smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@H+](Cc2ccccc2)CC2(C#N)CC2)cc1 ZINC000343315841 335070913 /nfs/dbraw/zinc/07/09/13/335070913.db2.gz RIMNSAWLGJWDIQ-UHFFFAOYSA-N 1 2 306.409 4.001 20 30 DIEDLO COc1ccc(C[N@@H+](Cc2ccccc2)CC2(C#N)CC2)cc1 ZINC000343315841 335070915 /nfs/dbraw/zinc/07/09/15/335070915.db2.gz RIMNSAWLGJWDIQ-UHFFFAOYSA-N 1 2 306.409 4.001 20 30 DIEDLO C=CCCCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425562143 335090656 /nfs/dbraw/zinc/09/06/56/335090656.db2.gz BTXDKHQVRCNNEE-UHFFFAOYSA-N 1 2 309.413 4.181 20 30 DIEDLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H](C#N)CCC#N ZINC000568976885 331815415 /nfs/dbraw/zinc/81/54/15/331815415.db2.gz IWCFYCGRFVFUNY-UKRRQHHQSA-N 1 2 309.335 4.022 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000409447319 332031537 /nfs/dbraw/zinc/03/15/37/332031537.db2.gz CHOCZYNXAJCTLS-KRWDZBQOSA-N 1 2 320.864 4.433 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000409447319 332031538 /nfs/dbraw/zinc/03/15/38/332031538.db2.gz CHOCZYNXAJCTLS-KRWDZBQOSA-N 1 2 320.864 4.433 20 30 DIEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000317816479 332201068 /nfs/dbraw/zinc/20/10/68/332201068.db2.gz YJQBZZVIXKUJFE-UHFFFAOYSA-N 1 2 311.410 4.196 20 30 DIEDLO C=CCC(C)(C)c1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000560023474 332302768 /nfs/dbraw/zinc/30/27/68/332302768.db2.gz CSIUIVDCKHOYSN-AWEZNQCLSA-N 1 2 319.836 4.228 20 30 DIEDLO C=CCC(C)(C)c1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000560023477 332302977 /nfs/dbraw/zinc/30/29/77/332302977.db2.gz CSIUIVDCKHOYSN-CQSZACIVSA-N 1 2 319.836 4.228 20 30 DIEDLO C=C(C)COc1cccc(NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000560075941 332309264 /nfs/dbraw/zinc/30/92/64/332309264.db2.gz CHZOSMIKFLVZAA-UHFFFAOYSA-N 1 2 307.397 4.210 20 30 DIEDLO C=CCC[C@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccco1 ZINC000560530034 332352295 /nfs/dbraw/zinc/35/22/95/332352295.db2.gz YFZOFVCYHAGUTC-KRWDZBQOSA-N 1 2 307.397 4.328 20 30 DIEDLO Cc1nc(C[NH+]2CCC(C#N)CC2)oc1-c1ccc(Cl)cc1 ZINC000119330822 332369763 /nfs/dbraw/zinc/36/97/63/332369763.db2.gz WAWYAAJDMKVQHV-UHFFFAOYSA-N 1 2 315.804 4.039 20 30 DIEDLO C=C[C@](C)(CC)c1nc(Cn2c3ccccc3[nH+]c2C(C)C)no1 ZINC000561915747 332515557 /nfs/dbraw/zinc/51/55/57/332515557.db2.gz GUDUOTGGVNLCKX-LJQANCHMSA-N 1 2 324.428 4.445 20 30 DIEDLO C[C@@H](C#N)CSc1ccccc1NCc1cn2ccccc2[nH+]1 ZINC000176880699 332960781 /nfs/dbraw/zinc/96/07/81/332960781.db2.gz PGCPFBABGNIIRK-AWEZNQCLSA-N 1 2 322.437 4.198 20 30 DIEDLO CC(C)(CCC#N)C[NH2+]c1ccc(OCC2CCOCC2)cc1 ZINC000174415720 333085883 /nfs/dbraw/zinc/08/58/83/333085883.db2.gz ILOJSCYAJSSXNE-UHFFFAOYSA-N 1 2 316.445 4.234 20 30 DIEDLO N#CCCC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000186856907 333223806 /nfs/dbraw/zinc/22/38/06/333223806.db2.gz CRLYDUBKABCNQI-AWEZNQCLSA-N 1 2 314.376 4.099 20 30 DIEDLO N#CCCC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000186856907 333223807 /nfs/dbraw/zinc/22/38/07/333223807.db2.gz CRLYDUBKABCNQI-AWEZNQCLSA-N 1 2 314.376 4.099 20 30 DIEDLO C[C@@H](C[N@H+](CCC#N)Cc1ccccn1)c1cccc(Cl)c1 ZINC000187181995 333228497 /nfs/dbraw/zinc/22/84/97/333228497.db2.gz PTVSDXSSYYCDRH-HNNXBMFYSA-N 1 2 313.832 4.254 20 30 DIEDLO C[C@@H](C[N@@H+](CCC#N)Cc1ccccn1)c1cccc(Cl)c1 ZINC000187181995 333228500 /nfs/dbraw/zinc/22/85/00/333228500.db2.gz PTVSDXSSYYCDRH-HNNXBMFYSA-N 1 2 313.832 4.254 20 30 DIEDLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000390300061 333261344 /nfs/dbraw/zinc/26/13/44/333261344.db2.gz RZAOOJOUEFINAZ-OAHLLOKOSA-N 1 2 306.413 4.117 20 30 DIEDLO Cc1cc([NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1OC1CCOCC1 ZINC000193264733 333300862 /nfs/dbraw/zinc/30/08/62/333300862.db2.gz ZDKUFLNUBOXYOM-JKSUJKDBSA-N 1 2 314.429 4.047 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1ccc(F)c(F)c1 ZINC000296316242 335143282 /nfs/dbraw/zinc/14/32/82/335143282.db2.gz FMQOECVFDCFDEH-BLLLJJGKSA-N 1 2 305.372 4.149 20 30 DIEDLO CC(C)(CCC#N)C[NH2+]c1ccc(OCC(F)(F)F)cc1 ZINC000155835712 334048583 /nfs/dbraw/zinc/04/85/83/334048583.db2.gz DGUJWPHQHXFQTH-UHFFFAOYSA-N 1 2 300.324 4.370 20 30 DIEDLO CC(C)C[N@H+](CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281936241 334129696 /nfs/dbraw/zinc/12/96/96/334129696.db2.gz ILCDPAVBNDATFZ-UHFFFAOYSA-N 1 2 300.446 4.250 20 30 DIEDLO CC(C)C[N@@H+](CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281936241 334129697 /nfs/dbraw/zinc/12/96/97/334129697.db2.gz ILCDPAVBNDATFZ-UHFFFAOYSA-N 1 2 300.446 4.250 20 30 DIEDLO CC(C)c1ccc([N@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282117066 334131296 /nfs/dbraw/zinc/13/12/96/334131296.db2.gz XMMOVYMOCFVTJD-UHFFFAOYSA-N 1 2 300.446 4.347 20 30 DIEDLO CC(C)c1ccc([N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282117066 334131297 /nfs/dbraw/zinc/13/12/97/334131297.db2.gz XMMOVYMOCFVTJD-UHFFFAOYSA-N 1 2 300.446 4.347 20 30 DIEDLO CC[C@@H]([NH2+]CCCCC#N)c1cc(Cl)cc(Cl)c1O ZINC000287783531 334158597 /nfs/dbraw/zinc/15/85/97/334158597.db2.gz SGTCXXOQZCLALU-CYBMUJFWSA-N 1 2 301.217 4.434 20 30 DIEDLO Cc1cc(C)c(NC(=O)c2ncsc2C(F)(F)F)c(C)[nH+]1 ZINC000330437107 334775873 /nfs/dbraw/zinc/77/58/73/334775873.db2.gz NSWKSGVDXFGSOR-UHFFFAOYSA-N 1 2 315.320 4.118 20 30 DIEDLO Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)c(C2CCCCC2)n1 ZINC000346161146 335383627 /nfs/dbraw/zinc/38/36/27/335383627.db2.gz WZCCPNVCEQSDNN-UHFFFAOYSA-N 1 2 316.493 4.230 20 30 DIEDLO Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(C2CCCCC2)n1 ZINC000346161146 335383628 /nfs/dbraw/zinc/38/36/28/335383628.db2.gz WZCCPNVCEQSDNN-UHFFFAOYSA-N 1 2 316.493 4.230 20 30 DIEDLO N#Cc1ccc(C[NH+]2Cc3ccccc3-c3ccccc3C2)nc1 ZINC000519680544 335888968 /nfs/dbraw/zinc/88/89/68/335888968.db2.gz INKSTJOAEPSKCQ-UHFFFAOYSA-N 1 2 311.388 4.136 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000519838240 335899190 /nfs/dbraw/zinc/89/91/90/335899190.db2.gz QDCYGDKMAAJGOZ-CQSZACIVSA-N 1 2 303.365 4.064 20 30 DIEDLO N#Cc1ccsc1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000351593805 336048234 /nfs/dbraw/zinc/04/82/34/336048234.db2.gz JYQFBROIRKQFBP-UHFFFAOYSA-N 1 2 321.361 4.059 20 30 DIEDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330163505 336119458 /nfs/dbraw/zinc/11/94/58/336119458.db2.gz SPNRHFOMTAQSKY-ZIAGYGMSSA-N 1 2 323.396 4.218 20 30 DIEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000332144337 336160325 /nfs/dbraw/zinc/16/03/25/336160325.db2.gz FTEKSTHYVSYQEV-WHOFXGATSA-N 1 2 315.804 4.338 20 30 DIEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(CC)c1C)Cc1cccs1 ZINC000352427325 336218007 /nfs/dbraw/zinc/21/80/07/336218007.db2.gz FNZYQHZJFPGOSQ-UHFFFAOYSA-N 1 2 316.470 4.057 20 30 DIEDLO C=CC[N@H+](CC(=O)c1cc(C)n(CC)c1C)Cc1cccs1 ZINC000352427325 336218008 /nfs/dbraw/zinc/21/80/08/336218008.db2.gz FNZYQHZJFPGOSQ-UHFFFAOYSA-N 1 2 316.470 4.057 20 30 DIEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccc(Cl)c(C#N)n1 ZINC000301534699 336313152 /nfs/dbraw/zinc/31/31/52/336313152.db2.gz QJZROKCXXSASOG-UHFFFAOYSA-N 1 2 312.804 4.259 20 30 DIEDLO Cn1c(CCCNc2c(Cl)cccc2C#N)[nH+]c2ccccc21 ZINC000301591677 336317037 /nfs/dbraw/zinc/31/70/37/336317037.db2.gz UDBXIPYRUVYAIE-UHFFFAOYSA-N 1 2 324.815 4.143 20 30 DIEDLO CC(C)c1csc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358568023 336634909 /nfs/dbraw/zinc/63/49/09/336634909.db2.gz DPNHVBKKUUANII-LLVKDONJSA-N 1 2 303.406 4.128 20 30 DIEDLO N#CC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CCC1 ZINC000418135530 336897005 /nfs/dbraw/zinc/89/70/05/336897005.db2.gz AXRFMDCGSPQYEU-UHFFFAOYSA-N 1 2 302.727 4.142 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(-c2ccco2)on1 ZINC000173549407 337136362 /nfs/dbraw/zinc/13/63/62/337136362.db2.gz HQMOCSCDJVTZKX-UHFFFAOYSA-N 1 2 301.390 4.086 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(-c2ccco2)on1 ZINC000173549407 337136363 /nfs/dbraw/zinc/13/63/63/337136363.db2.gz HQMOCSCDJVTZKX-UHFFFAOYSA-N 1 2 301.390 4.086 20 30 DIEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000173908246 337137482 /nfs/dbraw/zinc/13/74/82/337137482.db2.gz UMQPRQHLEUEAGC-AWEZNQCLSA-N 1 2 303.365 4.064 20 30 DIEDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181039856 337179489 /nfs/dbraw/zinc/17/94/89/337179489.db2.gz RYFKVWPLYQXDMT-LLVKDONJSA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181039856 337179490 /nfs/dbraw/zinc/17/94/90/337179490.db2.gz RYFKVWPLYQXDMT-LLVKDONJSA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000181900765 337185155 /nfs/dbraw/zinc/18/51/55/337185155.db2.gz VRCADNWLEIRYMV-KGLIPLIRSA-N 1 2 318.380 4.020 20 30 DIEDLO CC(C)CCOC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186678297 337258447 /nfs/dbraw/zinc/25/84/47/337258447.db2.gz LIRATLHODLEAPC-UHFFFAOYSA-N 1 2 320.864 4.239 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1F ZINC000190370847 337287067 /nfs/dbraw/zinc/28/70/67/337287067.db2.gz YBIOXQCFHBMPNC-KRWDZBQOSA-N 1 2 323.396 4.033 20 30 DIEDLO C=C(C)C[C@H](C)c1nc(CCn2c(C)[nH+]c3ccccc32)no1 ZINC000583778591 337332352 /nfs/dbraw/zinc/33/23/52/337332352.db2.gz AJJZORMHMUMSNQ-ZDUSSCGKSA-N 1 2 310.401 4.040 20 30 DIEDLO C=CC[N@H+](Cc1nc2ccccc2s1)Cc1ccc(OC)cc1 ZINC000532925280 337393088 /nfs/dbraw/zinc/39/30/88/337393088.db2.gz PGSKDMJHWFZKSO-UHFFFAOYSA-N 1 2 324.449 4.493 20 30 DIEDLO C=CC[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(OC)cc1 ZINC000532925280 337393089 /nfs/dbraw/zinc/39/30/89/337393089.db2.gz PGSKDMJHWFZKSO-UHFFFAOYSA-N 1 2 324.449 4.493 20 30 DIEDLO C=CCC[C@@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421577480 337540154 /nfs/dbraw/zinc/54/01/54/337540154.db2.gz PBVBUAUHFVXSJT-LJQANCHMSA-N 1 2 308.425 4.065 20 30 DIEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000274514127 337660229 /nfs/dbraw/zinc/66/02/29/337660229.db2.gz XDDMULLBVKGETB-CQSZACIVSA-N 1 2 314.454 4.129 20 30 DIEDLO C=C[C@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC000122772357 337925243 /nfs/dbraw/zinc/92/52/43/337925243.db2.gz MHUBYVQUFFGLPS-OAHLLOKOSA-N 1 2 317.392 4.375 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1oc(CC)nc1C ZINC000428458020 338052844 /nfs/dbraw/zinc/05/28/44/338052844.db2.gz IJBMBXDRTOGZLH-UHFFFAOYSA-N 1 2 310.850 4.449 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1oc(CC)nc1C ZINC000428458020 338052845 /nfs/dbraw/zinc/05/28/45/338052845.db2.gz IJBMBXDRTOGZLH-UHFFFAOYSA-N 1 2 310.850 4.449 20 30 DIEDLO CC(C)[N@H+](Cc1ccccc1F)Cc1cccc(F)c1C#N ZINC000428457696 338052960 /nfs/dbraw/zinc/05/29/60/338052960.db2.gz KIXJEWQYKNVDCZ-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC(C)[N@@H+](Cc1ccccc1F)Cc1cccc(F)c1C#N ZINC000428457696 338052961 /nfs/dbraw/zinc/05/29/61/338052961.db2.gz KIXJEWQYKNVDCZ-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000428872865 338063878 /nfs/dbraw/zinc/06/38/78/338063878.db2.gz SXFNLTFDSFOBJW-UHFFFAOYSA-N 1 2 324.399 4.306 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000428872865 338063879 /nfs/dbraw/zinc/06/38/79/338063879.db2.gz SXFNLTFDSFOBJW-UHFFFAOYSA-N 1 2 324.399 4.306 20 30 DIEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)[C@H]1c1cccs1 ZINC000428967111 338067064 /nfs/dbraw/zinc/06/70/64/338067064.db2.gz WYQUVJQSTZFPSO-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)[C@H]1c1cccs1 ZINC000428967111 338067065 /nfs/dbraw/zinc/06/70/65/338067065.db2.gz WYQUVJQSTZFPSO-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO C=CC[N@@H+](CCC#N)C/C(C)=C/c1ccccc1OC(F)F ZINC000430107930 338097283 /nfs/dbraw/zinc/09/72/83/338097283.db2.gz RHGGTPABLMVTJN-WYMLVPIESA-N 1 2 306.356 4.093 20 30 DIEDLO C=CC[N@H+](CCC#N)C/C(C)=C/c1ccccc1OC(F)F ZINC000430107930 338097284 /nfs/dbraw/zinc/09/72/84/338097284.db2.gz RHGGTPABLMVTJN-WYMLVPIESA-N 1 2 306.356 4.093 20 30 DIEDLO N#C[C@@H]1C[N@@H+](Cc2cc3c(cccc3F)[nH]2)C[C@H]1c1ccccc1 ZINC000430153883 338099275 /nfs/dbraw/zinc/09/92/75/338099275.db2.gz YWUBCRQKRAVBMD-QAPCUYQASA-N 1 2 319.383 4.046 20 30 DIEDLO N#C[C@@H]1C[N@H+](Cc2cc3c(cccc3F)[nH]2)C[C@H]1c1ccccc1 ZINC000430153883 338099276 /nfs/dbraw/zinc/09/92/76/338099276.db2.gz YWUBCRQKRAVBMD-QAPCUYQASA-N 1 2 319.383 4.046 20 30 DIEDLO N#CCCC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430241885 338102799 /nfs/dbraw/zinc/10/27/99/338102799.db2.gz QYDVAVRRPWSZHG-CQSZACIVSA-N 1 2 311.198 4.029 20 30 DIEDLO N#CCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430241885 338102800 /nfs/dbraw/zinc/10/28/00/338102800.db2.gz QYDVAVRRPWSZHG-CQSZACIVSA-N 1 2 311.198 4.029 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1nc2ccc(F)cc2s1 ZINC000432748497 338165990 /nfs/dbraw/zinc/16/59/90/338165990.db2.gz PABSUTWAQOHQKY-UHFFFAOYSA-N 1 2 305.422 4.197 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1nc2ccc(F)cc2s1 ZINC000432748497 338165991 /nfs/dbraw/zinc/16/59/91/338165991.db2.gz PABSUTWAQOHQKY-UHFFFAOYSA-N 1 2 305.422 4.197 20 30 DIEDLO Cc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(C)[nH+]1 ZINC000433025917 338177048 /nfs/dbraw/zinc/17/70/48/338177048.db2.gz BWELJQAVLNKSRN-SFHVURJKSA-N 1 2 322.412 4.255 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437897976 338324501 /nfs/dbraw/zinc/32/45/01/338324501.db2.gz PQBSZKQBTFOEJR-MRXNPFEDSA-N 1 2 314.335 4.107 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437897976 338324502 /nfs/dbraw/zinc/32/45/02/338324502.db2.gz PQBSZKQBTFOEJR-MRXNPFEDSA-N 1 2 314.335 4.107 20 30 DIEDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000439430825 338369329 /nfs/dbraw/zinc/36/93/29/338369329.db2.gz NSBZKXWKUTWGCH-NSHDSACASA-N 1 2 318.779 4.210 20 30 DIEDLO Cc1cccn2cc(CSCc3ccc(F)cc3C#N)[nH+]c12 ZINC000439544921 338372833 /nfs/dbraw/zinc/37/28/33/338372833.db2.gz HIJGAVQPHCTWRE-UHFFFAOYSA-N 1 2 311.385 4.087 20 30 DIEDLO C=CCC1(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCCC1 ZINC000449796029 338653731 /nfs/dbraw/zinc/65/37/31/338653731.db2.gz RTQBIXYWUBLACH-UHFFFAOYSA-N 1 2 309.413 4.162 20 30 DIEDLO C=CCC[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456837387 338943304 /nfs/dbraw/zinc/94/33/04/338943304.db2.gz KUXFXQOJKXZWCM-LJQANCHMSA-N 1 2 308.425 4.065 20 30 DIEDLO COc1ccc(F)cc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000462950423 339098888 /nfs/dbraw/zinc/09/88/88/339098888.db2.gz CVBIRFPKKXGYGY-MOPGFXCFSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(F)cc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000462950423 339098889 /nfs/dbraw/zinc/09/88/89/339098889.db2.gz CVBIRFPKKXGYGY-MOPGFXCFSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](c2[nH+]cccc2C)C1 ZINC000467493027 339240444 /nfs/dbraw/zinc/24/04/44/339240444.db2.gz FKQNYIUWKSNTHH-IAGOWNOFSA-N 1 2 321.424 4.409 20 30 DIEDLO CC(C)[N@H+](Cc1ccccc1F)Cc1cc(F)ccc1C#N ZINC000469121652 339280669 /nfs/dbraw/zinc/28/06/69/339280669.db2.gz YRGBCPQBONQZTP-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC(C)[N@@H+](Cc1ccccc1F)Cc1cc(F)ccc1C#N ZINC000469121652 339280670 /nfs/dbraw/zinc/28/06/70/339280670.db2.gz YRGBCPQBONQZTP-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000469128213 339280951 /nfs/dbraw/zinc/28/09/51/339280951.db2.gz XIBFABQYFHNPLY-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000469128213 339280952 /nfs/dbraw/zinc/28/09/52/339280952.db2.gz XIBFABQYFHNPLY-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000469994618 339307522 /nfs/dbraw/zinc/30/75/22/339307522.db2.gz ZMLNPGWSIYRHFE-ZDUSSCGKSA-N 1 2 316.754 4.374 20 30 DIEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000469994618 339307523 /nfs/dbraw/zinc/30/75/23/339307523.db2.gz ZMLNPGWSIYRHFE-ZDUSSCGKSA-N 1 2 316.754 4.374 20 30 DIEDLO N#Cc1ccc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)o1 ZINC000470545333 339321957 /nfs/dbraw/zinc/32/19/57/339321957.db2.gz DYROENAZTHUUCP-UHFFFAOYSA-N 1 2 314.335 4.109 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(F)c(F)c1 ZINC000479416019 339533787 /nfs/dbraw/zinc/53/37/87/339533787.db2.gz HCESHJUQGCTVOX-GOSISDBHSA-N 1 2 313.351 4.248 20 30 DIEDLO C#C[C@H]([NH2+]Cc1scnc1C1CC1)c1ccc(Cl)cc1 ZINC000491667054 339872250 /nfs/dbraw/zinc/87/22/50/339872250.db2.gz WYALXQQEBDRJBZ-AWEZNQCLSA-N 1 2 302.830 4.138 20 30 DIEDLO N#CC1(CCC[N@@H+]2CCCCCc3ccccc32)CCOCC1 ZINC000499565620 340039538 /nfs/dbraw/zinc/03/95/38/340039538.db2.gz SWTDFLBKOVROMD-UHFFFAOYSA-N 1 2 312.457 4.320 20 30 DIEDLO N#CC1(CCC[N@H+]2CCCCCc3ccccc32)CCOCC1 ZINC000499565620 340039539 /nfs/dbraw/zinc/03/95/39/340039539.db2.gz SWTDFLBKOVROMD-UHFFFAOYSA-N 1 2 312.457 4.320 20 30 DIEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000501267164 340077605 /nfs/dbraw/zinc/07/76/05/340077605.db2.gz QRFHZFAZKMBGOA-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000501267164 340077606 /nfs/dbraw/zinc/07/76/06/340077606.db2.gz QRFHZFAZKMBGOA-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](Cc3cc(C#N)cs3)C2)c1 ZINC000503028054 340119044 /nfs/dbraw/zinc/11/90/44/340119044.db2.gz AKUCYJBVZYPPMP-KRWDZBQOSA-N 1 2 318.392 4.138 20 30 DIEDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3cc(C#N)cs3)C2)c1 ZINC000503028054 340119045 /nfs/dbraw/zinc/11/90/45/340119045.db2.gz AKUCYJBVZYPPMP-KRWDZBQOSA-N 1 2 318.392 4.138 20 30 DIEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506122598 340186041 /nfs/dbraw/zinc/18/60/41/340186041.db2.gz MZFQPRUIDPMPMA-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO Cc1oc(-c2ccccc2)nc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506122598 340186042 /nfs/dbraw/zinc/18/60/42/340186042.db2.gz MZFQPRUIDPMPMA-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO C=CCOc1ccccc1C[N@H+](C)Cc1nc2ccccc2s1 ZINC000506728880 340200283 /nfs/dbraw/zinc/20/02/83/340200283.db2.gz GCKNVWRRRSZNMF-UHFFFAOYSA-N 1 2 324.449 4.493 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1nc2ccccc2s1 ZINC000506728880 340200284 /nfs/dbraw/zinc/20/02/84/340200284.db2.gz GCKNVWRRRSZNMF-UHFFFAOYSA-N 1 2 324.449 4.493 20 30 DIEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000507173885 340211103 /nfs/dbraw/zinc/21/11/03/340211103.db2.gz PJISFOYVJPBWPB-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000507173885 340211104 /nfs/dbraw/zinc/21/11/04/340211104.db2.gz PJISFOYVJPBWPB-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1conc1Cc1ccccc1 ZINC000508223491 340240949 /nfs/dbraw/zinc/24/09/49/340240949.db2.gz NFTBTAKGHKKCTM-UHFFFAOYSA-N 1 2 311.429 4.027 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1conc1Cc1ccccc1 ZINC000508223491 340240950 /nfs/dbraw/zinc/24/09/50/340240950.db2.gz NFTBTAKGHKKCTM-UHFFFAOYSA-N 1 2 311.429 4.027 20 30 DIEDLO C=CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)Cc1ccccc1 ZINC000509051485 340259520 /nfs/dbraw/zinc/25/95/20/340259520.db2.gz ONESHPSBKWTPJV-UHFFFAOYSA-N 1 2 319.408 4.233 20 30 DIEDLO C=CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)Cc1ccccc1 ZINC000509051485 340259521 /nfs/dbraw/zinc/25/95/21/340259521.db2.gz ONESHPSBKWTPJV-UHFFFAOYSA-N 1 2 319.408 4.233 20 30 DIEDLO C=CCCC[C@@H](C)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000509329960 340266515 /nfs/dbraw/zinc/26/65/15/340266515.db2.gz CQNXRPJAEXBCHJ-OAHLLOKOSA-N 1 2 310.397 4.349 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000511596511 340331417 /nfs/dbraw/zinc/33/14/17/340331417.db2.gz RZSACDGSIQBPJQ-QGZVFWFLSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000511596511 340331418 /nfs/dbraw/zinc/33/14/18/340331418.db2.gz RZSACDGSIQBPJQ-QGZVFWFLSA-N 1 2 300.764 4.298 20 30 DIEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511588895 340331689 /nfs/dbraw/zinc/33/16/89/340331689.db2.gz SWLBXHJANVNBLE-KRWDZBQOSA-N 1 2 312.800 4.167 20 30 DIEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511588895 340331690 /nfs/dbraw/zinc/33/16/90/340331690.db2.gz SWLBXHJANVNBLE-KRWDZBQOSA-N 1 2 312.800 4.167 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1c(F)cccc1F ZINC000512153585 340350138 /nfs/dbraw/zinc/35/01/38/340350138.db2.gz TWAQUFWTWBFLNE-CYBMUJFWSA-N 1 2 321.367 4.189 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1c(F)cccc1F ZINC000512153585 340350139 /nfs/dbraw/zinc/35/01/39/340350139.db2.gz TWAQUFWTWBFLNE-CYBMUJFWSA-N 1 2 321.367 4.189 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1Cl ZINC000512209732 340352353 /nfs/dbraw/zinc/35/23/53/340352353.db2.gz BWOKODOIKSXQIA-UHFFFAOYSA-N 1 2 305.805 4.004 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1Cl ZINC000512209732 340352354 /nfs/dbraw/zinc/35/23/54/340352354.db2.gz BWOKODOIKSXQIA-UHFFFAOYSA-N 1 2 305.805 4.004 20 30 DIEDLO CCN(CC)c1ccc(N[C@H](C)c2ccc(C#N)cc2F)c[nH+]1 ZINC000512287407 340355504 /nfs/dbraw/zinc/35/55/04/340355504.db2.gz HVMCDUAUCCAZQE-CYBMUJFWSA-N 1 2 312.392 4.112 20 30 DIEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cccc(C#N)c1F ZINC000512402823 340360811 /nfs/dbraw/zinc/36/08/11/340360811.db2.gz HZVQOWHPPFHZNZ-NSHDSACASA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000512402823 340360812 /nfs/dbraw/zinc/36/08/12/340360812.db2.gz HZVQOWHPPFHZNZ-NSHDSACASA-N 1 2 304.315 4.169 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1F ZINC000512506218 340364597 /nfs/dbraw/zinc/36/45/97/340364597.db2.gz ISTCFISMXHLPJD-UHFFFAOYSA-N 1 2 301.409 4.181 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1F ZINC000512506218 340364598 /nfs/dbraw/zinc/36/45/98/340364598.db2.gz ISTCFISMXHLPJD-UHFFFAOYSA-N 1 2 301.409 4.181 20 30 DIEDLO C=CCC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccco1 ZINC000513667540 340418309 /nfs/dbraw/zinc/41/83/09/340418309.db2.gz RSMLYHKJAYDJOF-GOSISDBHSA-N 1 2 307.397 4.262 20 30 DIEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CC1 ZINC000521743122 340530572 /nfs/dbraw/zinc/53/05/72/340530572.db2.gz CLOYNSOPBHSQFK-HZPDHXFCSA-N 1 2 300.446 4.179 20 30 DIEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC3(C#N)CC3)CC2)cc1 ZINC000539462468 340886312 /nfs/dbraw/zinc/88/63/12/340886312.db2.gz VVZWBHFJVAQHSS-UHFFFAOYSA-N 1 2 324.468 4.084 20 30 DIEDLO C=C[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000129418622 340959487 /nfs/dbraw/zinc/95/94/87/340959487.db2.gz RIXBUYRQCCRIGP-MRXNPFEDSA-N 1 2 317.392 4.171 20 30 DIEDLO N#CC[N@@H+](CCCc1ccccc1Br)C1CCCC1 ZINC000542276955 341002945 /nfs/dbraw/zinc/00/29/45/341002945.db2.gz GRABJVXLFTYGGX-UHFFFAOYSA-N 1 2 321.262 4.150 20 30 DIEDLO N#CC[N@H+](CCCc1ccccc1Br)C1CCCC1 ZINC000542276955 341002946 /nfs/dbraw/zinc/00/29/46/341002946.db2.gz GRABJVXLFTYGGX-UHFFFAOYSA-N 1 2 321.262 4.150 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@H+](C)C[C@@H](C)C#N)cc2)cc1 ZINC000542464783 341008247 /nfs/dbraw/zinc/00/82/47/341008247.db2.gz PHICTIRWGCFCNZ-HNNXBMFYSA-N 1 2 310.397 4.079 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@@H+](C)C[C@@H](C)C#N)cc2)cc1 ZINC000542464783 341008248 /nfs/dbraw/zinc/00/82/48/341008248.db2.gz PHICTIRWGCFCNZ-HNNXBMFYSA-N 1 2 310.397 4.079 20 30 DIEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ncc(-c2ccccc2)o1 ZINC000542570410 341014038 /nfs/dbraw/zinc/01/40/38/341014038.db2.gz YXKDQEQAQGEHDX-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ncc(-c2ccccc2)o1 ZINC000542570407 341014089 /nfs/dbraw/zinc/01/40/89/341014089.db2.gz YXKDQEQAQGEHDX-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO C=CC[C@H](C)[C@H](C)[NH2+]c1ccc(NS(=O)(=O)CCCC)cc1 ZINC000543072234 341030555 /nfs/dbraw/zinc/03/05/55/341030555.db2.gz JRQIBVRXCGGBAZ-GJZGRUSLSA-N 1 2 324.490 4.241 20 30 DIEDLO C[C@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000543140151 341033903 /nfs/dbraw/zinc/03/39/03/341033903.db2.gz TUBBGLGHQOPPJG-CYBMUJFWSA-N 1 2 300.352 4.224 20 30 DIEDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000543140151 341033904 /nfs/dbraw/zinc/03/39/04/341033904.db2.gz TUBBGLGHQOPPJG-CYBMUJFWSA-N 1 2 300.352 4.224 20 30 DIEDLO C[N@H+](Cc1ccc(CC#N)cc1)Cc1c(F)cccc1Cl ZINC000544069209 341069060 /nfs/dbraw/zinc/06/90/60/341069060.db2.gz KISSZBMMDBKDII-UHFFFAOYSA-N 1 2 302.780 4.177 20 30 DIEDLO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1c(F)cccc1Cl ZINC000544069209 341069061 /nfs/dbraw/zinc/06/90/61/341069061.db2.gz KISSZBMMDBKDII-UHFFFAOYSA-N 1 2 302.780 4.177 20 30 DIEDLO C=CCCCN(C)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000076488660 341208319 /nfs/dbraw/zinc/20/83/19/341208319.db2.gz VGCDCKSEWJZPMG-UHFFFAOYSA-N 1 2 310.397 4.221 20 30 DIEDLO CCC[N@H+](Cc1csc(C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000135034141 341229374 /nfs/dbraw/zinc/22/93/74/341229374.db2.gz CFHOFTPIFVDKJS-UHFFFAOYSA-N 1 2 311.454 4.304 20 30 DIEDLO CCC[N@@H+](Cc1csc(C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000135034141 341229375 /nfs/dbraw/zinc/22/93/75/341229375.db2.gz CFHOFTPIFVDKJS-UHFFFAOYSA-N 1 2 311.454 4.304 20 30 DIEDLO Cc1ccccc1-c1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000548933678 341281464 /nfs/dbraw/zinc/28/14/64/341281464.db2.gz XGMNMGQICBEJJF-OAHLLOKOSA-N 1 2 317.392 4.373 20 30 DIEDLO Cc1ccc(-c2cnc(C[NH2+][C@H](C)c3ccc(C#N)cc3)o2)cc1 ZINC000548936444 341281795 /nfs/dbraw/zinc/28/17/95/341281795.db2.gz FTRVBAQQSPBSGO-OAHLLOKOSA-N 1 2 317.392 4.373 20 30 DIEDLO CC#CC[N@H+](C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000550128826 341310729 /nfs/dbraw/zinc/31/07/29/341310729.db2.gz OQSOETNXOWRUOU-ZDUSSCGKSA-N 1 2 302.805 4.320 20 30 DIEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000550128826 341310730 /nfs/dbraw/zinc/31/07/30/341310730.db2.gz OQSOETNXOWRUOU-ZDUSSCGKSA-N 1 2 302.805 4.320 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000552085530 341368310 /nfs/dbraw/zinc/36/83/10/341368310.db2.gz BCHAWFISNBGXNY-UHFFFAOYSA-N 1 2 324.852 4.119 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000552085530 341368311 /nfs/dbraw/zinc/36/83/11/341368311.db2.gz BCHAWFISNBGXNY-UHFFFAOYSA-N 1 2 324.852 4.119 20 30 DIEDLO N#Cc1csc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000154095149 341584648 /nfs/dbraw/zinc/58/46/48/341584648.db2.gz NPLBGNOCSJVKJY-GOSISDBHSA-N 1 2 323.396 4.033 20 30 DIEDLO CCCCc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000155617721 341610260 /nfs/dbraw/zinc/61/02/60/341610260.db2.gz GBXUCWPTOVDVLO-UHFFFAOYSA-N 1 2 304.397 4.161 20 30 DIEDLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271963295 341625538 /nfs/dbraw/zinc/62/55/38/341625538.db2.gz RVBSTZRALRGOJX-OAHLLOKOSA-N 1 2 309.413 4.137 20 30 DIEDLO Cc1oc(-c2ccsc2)nc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000102655346 526750795 /nfs/dbraw/zinc/75/07/95/526750795.db2.gz UNGZCQTUXHPWEW-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO Cc1oc(-c2ccsc2)nc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000102655346 526750797 /nfs/dbraw/zinc/75/07/97/526750797.db2.gz UNGZCQTUXHPWEW-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+]C1CCC(C)(CC)CC1)C(=O)OCC ZINC001462505273 1061215463 /nfs/dbraw/zinc/21/54/63/1061215463.db2.gz MLAJTXYCUAFXFX-BBBYJDLNSA-N 1 2 301.858 4.009 20 30 DIEDLO C=CCCCCCCCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001207898661 1035516716 /nfs/dbraw/zinc/51/67/16/1035516716.db2.gz CEVWVXQXLWYTJU-MRXNPFEDSA-N 1 2 303.437 4.243 20 30 DIEDLO C=CCCCCCCCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001207898661 1035516723 /nfs/dbraw/zinc/51/67/23/1035516723.db2.gz CEVWVXQXLWYTJU-MRXNPFEDSA-N 1 2 303.437 4.243 20 30 DIEDLO C=CC[N@@H+](Cc1cnc(Br)s1)Cc1ccccc1 ZINC001139915410 1035663135 /nfs/dbraw/zinc/66/31/35/1035663135.db2.gz WDTJDMONBWBRHS-UHFFFAOYSA-N 1 2 323.259 4.094 20 30 DIEDLO C=CC[N@H+](Cc1cnc(Br)s1)Cc1ccccc1 ZINC001139915410 1035663143 /nfs/dbraw/zinc/66/31/43/1035663143.db2.gz WDTJDMONBWBRHS-UHFFFAOYSA-N 1 2 323.259 4.094 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1ccc(COC)o1)c1ccc(F)c(F)c1 ZINC000274835793 1035901951 /nfs/dbraw/zinc/90/19/51/1035901951.db2.gz VEJMSMJYGKMVSB-KRWDZBQOSA-N 1 2 307.340 4.111 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1c(C)onc1CC)c1ccc(F)c(F)c1 ZINC000274900133 1035946222 /nfs/dbraw/zinc/94/62/22/1035946222.db2.gz SINNOXVMWOTXMF-QGZVFWFLSA-N 1 2 306.356 4.231 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(Cc2ccccc2)c1 ZINC000339818202 1035969438 /nfs/dbraw/zinc/96/94/38/1035969438.db2.gz PXKKJRKAVTYEMK-UHFFFAOYSA-N 1 2 324.472 4.083 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(Cc2ccccc2)c1 ZINC000339818202 1035969453 /nfs/dbraw/zinc/96/94/53/1035969453.db2.gz PXKKJRKAVTYEMK-UHFFFAOYSA-N 1 2 324.472 4.083 20 30 DIEDLO CC[C@H]1CO[C@](C)(CCC(C)C)N1c1[nH+]c(C)ccc1CC#N ZINC001167131567 1036161573 /nfs/dbraw/zinc/16/15/73/1036161573.db2.gz IJDZLDNELRVEOR-PKOBYXMFSA-N 1 2 315.461 4.224 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnc(-c2ccccc2)o1 ZINC000610346160 1036842604 /nfs/dbraw/zinc/84/26/04/1036842604.db2.gz NFHIXHYZUHZKBB-KBPBESRZSA-N 1 2 318.380 4.020 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1ccc(C#N)cc1 ZINC000127503333 1037351604 /nfs/dbraw/zinc/35/16/04/1037351604.db2.gz CDEWPYWLSRYEDV-NEPJUHHUSA-N 1 2 324.409 4.082 20 30 DIEDLO CSc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1F ZINC000255305624 1037636642 /nfs/dbraw/zinc/63/66/42/1037636642.db2.gz BBAWRFUQTFAQIT-SREVYHEPSA-N 1 2 312.369 4.091 20 30 DIEDLO C[C@@H](CCC#N)CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000602631061 1038059809 /nfs/dbraw/zinc/05/98/09/1038059809.db2.gz DEWFDPGBFQFERN-HNNXBMFYSA-N 1 2 308.429 4.238 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccsc2Br)CCCCC1 ZINC000598989246 1038205186 /nfs/dbraw/zinc/20/51/86/1038205186.db2.gz WWPJYJDKCVKFMX-UHFFFAOYSA-N 1 2 313.264 4.074 20 30 DIEDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1C#N ZINC000610728585 1038278549 /nfs/dbraw/zinc/27/85/49/1038278549.db2.gz HIQBPCMIPLHJOJ-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1C#N ZINC000610728585 1038278554 /nfs/dbraw/zinc/27/85/54/1038278554.db2.gz HIQBPCMIPLHJOJ-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cn1 ZINC000341881193 1038310930 /nfs/dbraw/zinc/31/09/30/1038310930.db2.gz HMMRJCWUERYMTN-UHFFFAOYSA-N 1 2 313.367 4.252 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cn1 ZINC000341881193 1038310947 /nfs/dbraw/zinc/31/09/47/1038310947.db2.gz HMMRJCWUERYMTN-UHFFFAOYSA-N 1 2 313.367 4.252 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)cs1 ZINC000892160453 1038560918 /nfs/dbraw/zinc/56/09/18/1038560918.db2.gz CIRLOHPPIYJSGG-INIZCTEOSA-N 1 2 323.421 4.488 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)cs1 ZINC000892160453 1038560923 /nfs/dbraw/zinc/56/09/23/1038560923.db2.gz CIRLOHPPIYJSGG-INIZCTEOSA-N 1 2 323.421 4.488 20 30 DIEDLO CC(C)(C)c1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594032702 1038625369 /nfs/dbraw/zinc/62/53/69/1038625369.db2.gz LOSMGPVVJVQPSW-UHFFFAOYSA-N 1 2 309.413 4.013 20 30 DIEDLO C[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(C#N)cc1F ZINC000611589257 1038639079 /nfs/dbraw/zinc/63/90/79/1038639079.db2.gz VTAJIYADVCYLQV-QFYYESIMSA-N 1 2 316.763 4.135 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1 ZINC000127489513 1038643443 /nfs/dbraw/zinc/64/34/43/1038643443.db2.gz UAAUIHSKXHSFLQ-KBPBESRZSA-N 1 2 318.380 4.020 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(C(C)(C)C)nc1 ZINC000342810419 1038839993 /nfs/dbraw/zinc/83/99/93/1038839993.db2.gz VCNMHCGIYWTGTR-UHFFFAOYSA-N 1 2 301.459 4.024 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(C(C)(C)C)nc1 ZINC000342810419 1038840016 /nfs/dbraw/zinc/84/00/16/1038840016.db2.gz VCNMHCGIYWTGTR-UHFFFAOYSA-N 1 2 301.459 4.024 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3csc(Cl)c3)n2c1 ZINC000588558951 1039041744 /nfs/dbraw/zinc/04/17/44/1039041744.db2.gz OOPQCWWOLGCCSO-ARJAWSKDSA-N 1 2 302.786 4.254 20 30 DIEDLO C[N@H+](Cc1ncc(-c2ccccc2)s1)Cc1ccc(C#N)cc1 ZINC000122136984 1039120827 /nfs/dbraw/zinc/12/08/27/1039120827.db2.gz SIHSRXWCWGZAJV-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO C[N@@H+](Cc1ncc(-c2ccccc2)s1)Cc1ccc(C#N)cc1 ZINC000122136984 1039120841 /nfs/dbraw/zinc/12/08/41/1039120841.db2.gz SIHSRXWCWGZAJV-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1c(F)cccc1Cl ZINC000178793230 1039171199 /nfs/dbraw/zinc/17/11/99/1039171199.db2.gz WBOAKULMLOQXBL-JTQLQIEISA-N 1 2 306.743 4.341 20 30 DIEDLO CC(C)[N@H+](CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC000539408006 1039254350 /nfs/dbraw/zinc/25/43/50/1039254350.db2.gz TXLJCJAYTLCKQJ-UHFFFAOYSA-N 1 2 315.642 4.227 20 30 DIEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC000539408006 1039254363 /nfs/dbraw/zinc/25/43/63/1039254363.db2.gz TXLJCJAYTLCKQJ-UHFFFAOYSA-N 1 2 315.642 4.227 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000539822525 1039348855 /nfs/dbraw/zinc/34/88/55/1039348855.db2.gz MJTSWIFXTYTQSP-OALUTQOASA-N 1 2 312.363 4.237 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000539822525 1039348863 /nfs/dbraw/zinc/34/88/63/1039348863.db2.gz MJTSWIFXTYTQSP-OALUTQOASA-N 1 2 312.363 4.237 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)c(F)c1 ZINC000187783315 1039358782 /nfs/dbraw/zinc/35/87/82/1039358782.db2.gz OYLPBESCYASADL-OAHLLOKOSA-N 1 2 319.380 4.081 20 30 DIEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000583537972 1039368687 /nfs/dbraw/zinc/36/86/87/1039368687.db2.gz QRWVBDYBTILMHN-UHFFFAOYSA-N 1 2 322.368 4.119 20 30 DIEDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1C#N ZINC000728569584 1039374197 /nfs/dbraw/zinc/37/41/97/1039374197.db2.gz NDTRJOUYFBBBJA-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1C#N ZINC000728569584 1039374213 /nfs/dbraw/zinc/37/42/13/1039374213.db2.gz NDTRJOUYFBBBJA-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000540810850 1039572866 /nfs/dbraw/zinc/57/28/66/1039572866.db2.gz DGEBFDXMWQWMGI-KRWDZBQOSA-N 1 2 312.369 4.231 20 30 DIEDLO N#Cc1cccc(Cl)c1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000080948935 1039691330 /nfs/dbraw/zinc/69/13/30/1039691330.db2.gz HQZOHZAPILUGBU-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO N#Cc1ccc(Cl)cc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000080953249 1039693739 /nfs/dbraw/zinc/69/37/39/1039693739.db2.gz QJKXXIGKPQMXHG-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO CCCOc1cccc2c(N3CCC(CC#N)CC3)cc[nH+]c12 ZINC000541870843 1039752796 /nfs/dbraw/zinc/75/27/96/1039752796.db2.gz FPOZZGSFZYZZQU-UHFFFAOYSA-N 1 2 309.413 4.154 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncc(Cl)cc1Cl ZINC000491356193 1039832666 /nfs/dbraw/zinc/83/26/66/1039832666.db2.gz KUTSXEXVJPEDQK-UHFFFAOYSA-N 1 2 311.212 4.212 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)Cc1ncc(Cl)cc1Cl ZINC000491356193 1039832688 /nfs/dbraw/zinc/83/26/88/1039832688.db2.gz KUTSXEXVJPEDQK-UHFFFAOYSA-N 1 2 311.212 4.212 20 30 DIEDLO C[N@H+](CCC(F)(F)F)Cc1cc(C(F)(F)F)ccc1F ZINC000092479328 1039871239 /nfs/dbraw/zinc/87/12/39/1039871239.db2.gz OIAUJGMTHQYSAS-UHFFFAOYSA-N 1 2 303.221 4.229 20 30 DIEDLO C[N@@H+](CCC(F)(F)F)Cc1cc(C(F)(F)F)ccc1F ZINC000092479328 1039871259 /nfs/dbraw/zinc/87/12/59/1039871259.db2.gz OIAUJGMTHQYSAS-UHFFFAOYSA-N 1 2 303.221 4.229 20 30 DIEDLO CC(C)Oc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1Cl ZINC000492051710 1039908370 /nfs/dbraw/zinc/90/83/70/1039908370.db2.gz XGLSRVHQTADCDV-ZDUSSCGKSA-N 1 2 306.837 4.251 20 30 DIEDLO CC(C)Oc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1Cl ZINC000492051710 1039908385 /nfs/dbraw/zinc/90/83/85/1039908385.db2.gz XGLSRVHQTADCDV-ZDUSSCGKSA-N 1 2 306.837 4.251 20 30 DIEDLO CCOc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000480529393 1039990842 /nfs/dbraw/zinc/99/08/42/1039990842.db2.gz SQVDAQJUFXZXTE-UHFFFAOYSA-N 1 2 314.816 4.242 20 30 DIEDLO CCOc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000480529393 1039990859 /nfs/dbraw/zinc/99/08/59/1039990859.db2.gz SQVDAQJUFXZXTE-UHFFFAOYSA-N 1 2 314.816 4.242 20 30 DIEDLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 ZINC000364691163 1040555129 /nfs/dbraw/zinc/55/51/29/1040555129.db2.gz QSKLYRMYGIAGGA-HNNXBMFYSA-N 1 2 317.392 4.373 20 30 DIEDLO CCC[N@H+](Cc1csc(Cl)n1)Cc1ccc(C#N)cc1 ZINC000290155183 1040619254 /nfs/dbraw/zinc/61/92/54/1040619254.db2.gz XBLVSPUNQWTFHR-UHFFFAOYSA-N 1 2 305.834 4.080 20 30 DIEDLO CCC[N@@H+](Cc1csc(Cl)n1)Cc1ccc(C#N)cc1 ZINC000290155183 1040619265 /nfs/dbraw/zinc/61/92/65/1040619265.db2.gz XBLVSPUNQWTFHR-UHFFFAOYSA-N 1 2 305.834 4.080 20 30 DIEDLO CCCCC[N@H+](Cc1nc(C#N)cs1)Cc1ccc(F)cc1 ZINC000580607396 1040826192 /nfs/dbraw/zinc/82/61/92/1040826192.db2.gz OAVGWSIIBJAPNR-UHFFFAOYSA-N 1 2 317.433 4.346 20 30 DIEDLO CCCCC[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(F)cc1 ZINC000580607396 1040826210 /nfs/dbraw/zinc/82/62/10/1040826210.db2.gz OAVGWSIIBJAPNR-UHFFFAOYSA-N 1 2 317.433 4.346 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000368437927 1041122230 /nfs/dbraw/zinc/12/22/30/1041122230.db2.gz HZKATWXCWQKFTQ-QGZVFWFLSA-N 1 2 322.399 4.058 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000368437927 1041122238 /nfs/dbraw/zinc/12/22/38/1041122238.db2.gz HZKATWXCWQKFTQ-QGZVFWFLSA-N 1 2 322.399 4.058 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cccc(COC)c1)c1ccc(Cl)cc1F ZINC000809698487 1041216018 /nfs/dbraw/zinc/21/60/18/1041216018.db2.gz DZNSWQYSVJHTJK-GOSISDBHSA-N 1 2 317.791 4.090 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc2cnccc2c1)c1ccc(Cl)cc1F ZINC000809699412 1041218552 /nfs/dbraw/zinc/21/85/52/1041218552.db2.gz RMOVYQBGPVOZPI-IBGZPJMESA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cccc(OCC)c1)c1ccc(Cl)cc1F ZINC000809699480 1041218934 /nfs/dbraw/zinc/21/89/34/1041218934.db2.gz PDOQZAVZMUIDHH-GOSISDBHSA-N 1 2 317.791 4.342 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)cc1F ZINC000809699564 1041219345 /nfs/dbraw/zinc/21/93/45/1041219345.db2.gz PWODACAJDALTMT-KRWDZBQOSA-N 1 2 317.791 4.266 20 30 DIEDLO C[C@H](Nc1cc(-c2ccncc2)cc[nH+]1)c1cccc(C#N)c1 ZINC001167708552 1041295483 /nfs/dbraw/zinc/29/54/83/1041295483.db2.gz HJBWDFDIYUWQAG-AWEZNQCLSA-N 1 2 300.365 4.188 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(Cl)cc1 ZINC000811516228 1041535309 /nfs/dbraw/zinc/53/53/09/1041535309.db2.gz HCWQYTHMFHHMGL-HNNXBMFYSA-N 1 2 306.192 4.163 20 30 DIEDLO CCCCCCCC[C@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000811933727 1041582599 /nfs/dbraw/zinc/58/25/99/1041582599.db2.gz GLHWDZOXOBKAGR-INIZCTEOSA-N 1 2 305.466 4.002 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143506036 1041612725 /nfs/dbraw/zinc/61/27/25/1041612725.db2.gz UGEFNVFRLXXCLK-UHFFFAOYSA-N 1 2 316.754 4.484 20 30 DIEDLO C[N@H+](Cc1c(-c2ccccc2)nc2sccn12)CC(C)(C)C#N ZINC000814669823 1041851256 /nfs/dbraw/zinc/85/12/56/1041851256.db2.gz IZFVCFYDJMDUNZ-UHFFFAOYSA-N 1 2 324.453 4.044 20 30 DIEDLO C[N@@H+](Cc1c(-c2ccccc2)nc2sccn12)CC(C)(C)C#N ZINC000814669823 1041851262 /nfs/dbraw/zinc/85/12/62/1041851262.db2.gz IZFVCFYDJMDUNZ-UHFFFAOYSA-N 1 2 324.453 4.044 20 30 DIEDLO CC(=[NH+]Nc1cc(F)c(F)c(F)c1)c1ccc(Cl)c(N)c1 ZINC000814864263 1041879027 /nfs/dbraw/zinc/87/90/27/1041879027.db2.gz XDAFXQXSSDCGOK-UHFFFAOYSA-N 1 2 313.710 4.176 20 30 DIEDLO C=CC[N@H+](Cc1ncc(-c2cccc(Cl)c2)o1)[C@H](C)COC ZINC000661249045 1041912125 /nfs/dbraw/zinc/91/21/25/1041912125.db2.gz YLELHLGAQOAAEM-CYBMUJFWSA-N 1 2 320.820 4.018 20 30 DIEDLO C=CC[N@@H+](Cc1ncc(-c2cccc(Cl)c2)o1)[C@H](C)COC ZINC000661249045 1041912132 /nfs/dbraw/zinc/91/21/32/1041912132.db2.gz YLELHLGAQOAAEM-CYBMUJFWSA-N 1 2 320.820 4.018 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Sc2ccccn2)o1 ZINC000816480991 1042055818 /nfs/dbraw/zinc/05/58/18/1042055818.db2.gz DMUHHERFBQPCEG-UHFFFAOYSA-N 1 2 315.442 4.197 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Sc2ccccn2)o1 ZINC000816480991 1042055823 /nfs/dbraw/zinc/05/58/23/1042055823.db2.gz DMUHHERFBQPCEG-UHFFFAOYSA-N 1 2 315.442 4.197 20 30 DIEDLO N#C[C@H]1CC[C@H](Nc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)CC1 ZINC001167844004 1042261203 /nfs/dbraw/zinc/26/12/03/1042261203.db2.gz IMSSLTANZLHTHG-AULYBMBSSA-N 1 2 309.335 4.170 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1ccc(OCC)o1)c1ccc(F)c(F)c1 ZINC000893669437 1042296673 /nfs/dbraw/zinc/29/66/73/1042296673.db2.gz XMKURWHRESYJCK-KRWDZBQOSA-N 1 2 307.340 4.364 20 30 DIEDLO Cc1ccc(-c2ncc(C[N@H+](CCC#N)CC3CC3)s2)cc1 ZINC000093091614 1042358558 /nfs/dbraw/zinc/35/85/58/1042358558.db2.gz BVWAGAHCJQRSOA-UHFFFAOYSA-N 1 2 311.454 4.244 20 30 DIEDLO Cc1ccc(-c2ncc(C[N@@H+](CCC#N)CC3CC3)s2)cc1 ZINC000093091614 1042358561 /nfs/dbraw/zinc/35/85/61/1042358561.db2.gz BVWAGAHCJQRSOA-UHFFFAOYSA-N 1 2 311.454 4.244 20 30 DIEDLO N#CC1(CC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)CCCCC1 ZINC000411221150 1042430752 /nfs/dbraw/zinc/43/07/52/1042430752.db2.gz UBUWPYGLSFBIAM-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CC[N@H+]2CCO[C@@H](c3ccccc3F)C2)CCCCC1 ZINC000411221150 1042430754 /nfs/dbraw/zinc/43/07/54/1042430754.db2.gz UBUWPYGLSFBIAM-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)o1 ZINC000513480031 1042546600 /nfs/dbraw/zinc/54/66/00/1042546600.db2.gz VMENZQHQPFRSGB-UHFFFAOYSA-N 1 2 316.351 4.374 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2c(F)cccc2F)C2CCCC2)o1 ZINC000513480031 1042546601 /nfs/dbraw/zinc/54/66/01/1042546601.db2.gz VMENZQHQPFRSGB-UHFFFAOYSA-N 1 2 316.351 4.374 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OCCCc2ccccc2)c1 ZINC000513729127 1042612972 /nfs/dbraw/zinc/61/29/72/1042612972.db2.gz NIXYCVYLZIGGPD-GOSISDBHSA-N 1 2 322.452 4.432 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OCCCc2ccccc2)c1 ZINC000513729127 1042612978 /nfs/dbraw/zinc/61/29/78/1042612978.db2.gz NIXYCVYLZIGGPD-GOSISDBHSA-N 1 2 322.452 4.432 20 30 DIEDLO N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219868 1042701171 /nfs/dbraw/zinc/70/11/71/1042701171.db2.gz USPUHETUZSQDTL-HXUWFJFHSA-N 1 2 303.409 4.406 20 30 DIEDLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccccc1C#N ZINC000424201836 1042729347 /nfs/dbraw/zinc/72/93/47/1042729347.db2.gz PACHWYBVBWOCHJ-UHFFFAOYSA-N 1 2 314.816 4.245 20 30 DIEDLO COc1cccc(Cl)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000514233152 1042776381 /nfs/dbraw/zinc/77/63/81/1042776381.db2.gz VRPGPQFCVBRGSO-NSHDSACASA-N 1 2 318.779 4.210 20 30 DIEDLO C=CCN(Cc1ccc(Cl)s1)Cc1c[nH+]cn1C(C)C ZINC000425327514 1042792807 /nfs/dbraw/zinc/79/28/07/1042792807.db2.gz RUZRIXKJBUARLN-UHFFFAOYSA-N 1 2 309.866 4.367 20 30 DIEDLO COc1ccc2[nH+]cc(Cl)c(N3CCC[C@H](CC#N)C3)c2c1 ZINC000894485306 1042962051 /nfs/dbraw/zinc/96/20/51/1042962051.db2.gz DEHLRDRIRQDIGZ-GFCCVEGCSA-N 1 2 315.804 4.027 20 30 DIEDLO CC(C)[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1F ZINC000519908182 1043007956 /nfs/dbraw/zinc/00/79/56/1043007956.db2.gz KSKYBMRJQKYVRB-UHFFFAOYSA-N 1 2 321.399 4.361 20 30 DIEDLO CC(C)[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1F ZINC000519908182 1043007961 /nfs/dbraw/zinc/00/79/61/1043007961.db2.gz KSKYBMRJQKYVRB-UHFFFAOYSA-N 1 2 321.399 4.361 20 30 DIEDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328991938 1043084202 /nfs/dbraw/zinc/08/42/02/1043084202.db2.gz SPNRHFOMTAQSKY-UONOGXRCSA-N 1 2 323.396 4.218 20 30 DIEDLO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1cccc(C#N)c1O ZINC000866232236 1043162650 /nfs/dbraw/zinc/16/26/50/1043162650.db2.gz ICPYUVPFPHJKJG-BLLLJJGKSA-N 1 2 310.422 4.152 20 30 DIEDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866222002 1043162817 /nfs/dbraw/zinc/16/28/17/1043162817.db2.gz XFQPQNHJOBMDMB-ZIAGYGMSSA-N 1 2 310.397 4.074 20 30 DIEDLO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866238295 1043163789 /nfs/dbraw/zinc/16/37/89/1043163789.db2.gz ONQYZVQDFWQHPP-GJZGRUSLSA-N 1 2 324.424 4.463 20 30 DIEDLO Cc1[nH]c2ccc(C[NH2+][C@H](C)c3cccc(C#N)c3O)cc2c1C ZINC000866243229 1043163807 /nfs/dbraw/zinc/16/38/07/1043163807.db2.gz WSVYCPCIFQMDOB-CQSZACIVSA-N 1 2 319.408 4.213 20 30 DIEDLO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866235063 1043163843 /nfs/dbraw/zinc/16/38/43/1043163843.db2.gz VFKSRBQZAHQTKT-HUUCEWRRSA-N 1 2 324.424 4.463 20 30 DIEDLO CCCOCc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866239794 1043164331 /nfs/dbraw/zinc/16/43/31/1043164331.db2.gz VCZYJBXHJXGDBV-HNNXBMFYSA-N 1 2 324.424 4.041 20 30 DIEDLO CSc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866281650 1043173601 /nfs/dbraw/zinc/17/36/01/1043173601.db2.gz BTBSDTYGOILWDR-CYBMUJFWSA-N 1 2 312.438 4.145 20 30 DIEDLO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1cccc(C#N)c1O ZINC000866318303 1043179571 /nfs/dbraw/zinc/17/95/71/1043179571.db2.gz UXBJCCHDQVBOFY-CYBMUJFWSA-N 1 2 310.372 4.133 20 30 DIEDLO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866346079 1043184628 /nfs/dbraw/zinc/18/46/28/1043184628.db2.gz HHMHRBDXDDSEMG-MNOVXSKESA-N 1 2 300.324 4.036 20 30 DIEDLO C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1cccc(C#N)c1O ZINC000866397122 1043196479 /nfs/dbraw/zinc/19/64/79/1043196479.db2.gz CROFPNHAAJHTKN-LLVKDONJSA-N 1 2 312.335 4.037 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000186903117 1043238059 /nfs/dbraw/zinc/23/80/59/1043238059.db2.gz JTGXQNOQDAWCQN-UHFFFAOYSA-N 1 2 318.848 4.135 20 30 DIEDLO CC[C@](C)([NH2+]Cc1ccc(Cl)cc1C#N)c1nc(C)cs1 ZINC000187274874 1043242948 /nfs/dbraw/zinc/24/29/48/1043242948.db2.gz DSNLJDGCGVVFNN-INIZCTEOSA-N 1 2 319.861 4.392 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc2[nH]c(C)cc2c1)c1cccc(C#N)c1O ZINC000926417925 1043573953 /nfs/dbraw/zinc/57/39/53/1043573953.db2.gz ONCYIIZYFYJLCQ-GOSISDBHSA-N 1 2 319.408 4.295 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1csc(Br)c1 ZINC000353418943 1043606771 /nfs/dbraw/zinc/60/67/71/1043606771.db2.gz IGVMMAOSVLBIGA-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1csc(Br)c1 ZINC000353418943 1043606775 /nfs/dbraw/zinc/60/67/75/1043606775.db2.gz IGVMMAOSVLBIGA-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1csc(Br)c1 ZINC000353425564 1043607109 /nfs/dbraw/zinc/60/71/09/1043607109.db2.gz YROAYJNYQHASFW-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1csc(Br)c1 ZINC000353425564 1043607114 /nfs/dbraw/zinc/60/71/14/1043607114.db2.gz YROAYJNYQHASFW-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CCCCCCCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125559367 1043635967 /nfs/dbraw/zinc/63/59/67/1043635967.db2.gz ZANHQWGENGAGBU-DLBZAZTESA-N 1 2 305.466 4.043 20 30 DIEDLO N#CC1(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000926874945 1043645938 /nfs/dbraw/zinc/64/59/38/1043645938.db2.gz VLKBLINLYMHIOO-INIZCTEOSA-N 1 2 300.789 4.110 20 30 DIEDLO Cc1ccc([C@H]([NH2+]CC2(C#N)CCCC2)c2cccnc2)cc1 ZINC000926881611 1043647595 /nfs/dbraw/zinc/64/75/95/1043647595.db2.gz WWZUFUBCAMWEPW-IBGZPJMESA-N 1 2 305.425 4.153 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000876557369 1043693650 /nfs/dbraw/zinc/69/36/50/1043693650.db2.gz GITXGGKXVBKFAS-INIZCTEOSA-N 1 2 315.779 4.083 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000876557369 1043693653 /nfs/dbraw/zinc/69/36/53/1043693653.db2.gz GITXGGKXVBKFAS-INIZCTEOSA-N 1 2 315.779 4.083 20 30 DIEDLO CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(F)cc1F ZINC000877050395 1043737300 /nfs/dbraw/zinc/73/73/00/1043737300.db2.gz MLVSCGPNRSPFTQ-OAHLLOKOSA-N 1 2 321.758 4.126 20 30 DIEDLO C=CCC[C@H]([NH2+]c1ccc(N2CCOC[C@H]2C)cc1)C1CC1 ZINC000777691805 1043756233 /nfs/dbraw/zinc/75/62/33/1043756233.db2.gz FTOKFJAYQGZGDE-BEFAXECRSA-N 1 2 300.446 4.068 20 30 DIEDLO C=C1CCC(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC1 ZINC000896021143 1043810443 /nfs/dbraw/zinc/81/04/43/1043810443.db2.gz XAQHMGQFFXVPDB-UHFFFAOYSA-N 1 2 320.396 4.195 20 30 DIEDLO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(C#N)cs2)o1 ZINC000356107787 1043811100 /nfs/dbraw/zinc/81/11/00/1043811100.db2.gz DPDRBGLZEHZEQA-CQSZACIVSA-N 1 2 301.415 4.034 20 30 DIEDLO Cc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(C#N)cs2)o1 ZINC000356107787 1043811118 /nfs/dbraw/zinc/81/11/18/1043811118.db2.gz DPDRBGLZEHZEQA-CQSZACIVSA-N 1 2 301.415 4.034 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356228390 1043823980 /nfs/dbraw/zinc/82/39/80/1043823980.db2.gz WICUMGBCWYOXHC-UHFFFAOYSA-N 1 2 323.362 4.339 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356228390 1043823995 /nfs/dbraw/zinc/82/39/95/1043823995.db2.gz WICUMGBCWYOXHC-UHFFFAOYSA-N 1 2 323.362 4.339 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccccc1 ZINC000878363224 1043878259 /nfs/dbraw/zinc/87/82/59/1043878259.db2.gz VERURZAMJAEBQW-QGZVFWFLSA-N 1 2 308.425 4.044 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)CCC1 ZINC000930649591 1043951265 /nfs/dbraw/zinc/95/12/65/1043951265.db2.gz HUKKCQGKZDJWNZ-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CCC1 ZINC000930649591 1043951271 /nfs/dbraw/zinc/95/12/71/1043951271.db2.gz HUKKCQGKZDJWNZ-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO CSc1ccc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000357695493 1043975211 /nfs/dbraw/zinc/97/52/11/1043975211.db2.gz FJAKYVIGZMAQDG-UHFFFAOYSA-N 1 2 319.455 4.160 20 30 DIEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001141907515 1043987497 /nfs/dbraw/zinc/98/74/97/1043987497.db2.gz FAQRSNCMMOIEQJ-UHFFFAOYSA-N 1 2 319.246 4.087 20 30 DIEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC001141907515 1043987508 /nfs/dbraw/zinc/98/75/08/1043987508.db2.gz FAQRSNCMMOIEQJ-UHFFFAOYSA-N 1 2 319.246 4.087 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000357935918 1044000069 /nfs/dbraw/zinc/00/00/69/1044000069.db2.gz YYGDXNSRNKHODE-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000357935918 1044000081 /nfs/dbraw/zinc/00/00/81/1044000081.db2.gz YYGDXNSRNKHODE-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cc(F)ccc1OC ZINC000932474811 1044133847 /nfs/dbraw/zinc/13/38/47/1044133847.db2.gz MAEWRIPOKNOOPL-QGZVFWFLSA-N 1 2 316.351 4.086 20 30 DIEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(Cl)cc(Cl)c1F ZINC000932570057 1044145300 /nfs/dbraw/zinc/14/53/00/1044145300.db2.gz CMHGSNRNRRMEQY-NXEZZACHSA-N 1 2 314.191 4.227 20 30 DIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000347080268 1044193847 /nfs/dbraw/zinc/19/38/47/1044193847.db2.gz IYCIFUXFGJNZJP-UHFFFAOYSA-N 1 2 319.246 4.087 20 30 DIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC000347080268 1044193857 /nfs/dbraw/zinc/19/38/57/1044193857.db2.gz IYCIFUXFGJNZJP-UHFFFAOYSA-N 1 2 319.246 4.087 20 30 DIEDLO C=C(C)c1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000934876767 1044290491 /nfs/dbraw/zinc/29/04/91/1044290491.db2.gz QRZIQHWGUFNILI-YJBOKZPZSA-N 1 2 324.428 4.031 20 30 DIEDLO C=C[C@@H](CC)CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000935101686 1044312374 /nfs/dbraw/zinc/31/23/74/1044312374.db2.gz GOSLYFLBISNAPC-HNNXBMFYSA-N 1 2 321.424 4.143 20 30 DIEDLO Cc1cc(C#N)ccc1C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000186277371 1044335032 /nfs/dbraw/zinc/33/50/32/1044335032.db2.gz JAYODLMDFYGVSZ-SFHVURJKSA-N 1 2 319.433 4.202 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000186316857 1044364332 /nfs/dbraw/zinc/36/43/32/1044364332.db2.gz BDXUPVZGSXYZMA-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000186316857 1044364345 /nfs/dbraw/zinc/36/43/45/1044364345.db2.gz BDXUPVZGSXYZMA-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccc(C#N)cc1 ZINC000362237689 1044491296 /nfs/dbraw/zinc/49/12/96/1044491296.db2.gz MCPAUFPHTNMKKC-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO C[N@H+](Cc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1Cl ZINC000444705256 1044608042 /nfs/dbraw/zinc/60/80/42/1044608042.db2.gz MGHJNYLOCBDQDB-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1Cl ZINC000444705256 1044608047 /nfs/dbraw/zinc/60/80/47/1044608047.db2.gz MGHJNYLOCBDQDB-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2ccc(F)c(Cl)c2Cl)c1 ZINC000569771600 1044712612 /nfs/dbraw/zinc/71/26/12/1044712612.db2.gz JVEZDHOHRQNHQH-UHFFFAOYSA-N 1 2 310.159 4.206 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccccc1 ZINC000367635605 1044749322 /nfs/dbraw/zinc/74/93/22/1044749322.db2.gz RQQJHAKIFXUGOC-SFHVURJKSA-N 1 2 320.367 4.335 20 30 DIEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000264455479 1044880101 /nfs/dbraw/zinc/88/01/01/1044880101.db2.gz JBDNLAMANFRUEY-INIZCTEOSA-N 1 2 300.446 4.097 20 30 DIEDLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C)(C#N)CC3)o2)cc1C ZINC000371635645 1044883327 /nfs/dbraw/zinc/88/33/27/1044883327.db2.gz SMNJHZIEUXRRHY-HNNXBMFYSA-N 1 2 324.428 4.040 20 30 DIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccccc3C#N)[C@@H](C)CO2)c1 ZINC000524758715 1044918240 /nfs/dbraw/zinc/91/82/40/1044918240.db2.gz XXKISDWYNMCERS-UWJYYQICSA-N 1 2 320.436 4.137 20 30 DIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccccc3C#N)[C@@H](C)CO2)c1 ZINC000524758715 1044918263 /nfs/dbraw/zinc/91/82/63/1044918263.db2.gz XXKISDWYNMCERS-UWJYYQICSA-N 1 2 320.436 4.137 20 30 DIEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000411165110 1044979000 /nfs/dbraw/zinc/97/90/00/1044979000.db2.gz OHIYXQADIAOSBS-LBPRGKRZSA-N 1 2 303.793 4.125 20 30 DIEDLO CC(C)Oc1cccc([C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C(F)F)c1 ZINC000576052830 1045029719 /nfs/dbraw/zinc/02/97/19/1045029719.db2.gz WABYDOWZWWSFEW-QRTARXTBSA-N 1 2 322.399 4.452 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000374258914 1045040631 /nfs/dbraw/zinc/04/06/31/1045040631.db2.gz NLQOJYYOJGLDPU-LBPRGKRZSA-N 1 2 312.866 4.105 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000374258914 1045040642 /nfs/dbraw/zinc/04/06/42/1045040642.db2.gz NLQOJYYOJGLDPU-LBPRGKRZSA-N 1 2 312.866 4.105 20 30 DIEDLO N#CCCCCNc1[nH+]ccc2cc(Br)ccc21 ZINC000413121139 1045123334 /nfs/dbraw/zinc/12/33/34/1045123334.db2.gz FOGCTDIZMQVKAV-UHFFFAOYSA-N 1 2 304.191 4.103 20 30 DIEDLO CCOCc1ccccc1C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000924603368 1045181585 /nfs/dbraw/zinc/18/15/85/1045181585.db2.gz SCSHNKUQXIPAOQ-IBGZPJMESA-N 1 2 324.424 4.041 20 30 DIEDLO N#Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCCCC3)c[nH+]1)CC2 ZINC000578805796 1045272837 /nfs/dbraw/zinc/27/28/37/1045272837.db2.gz BUWCHLZOYOYXIL-LJQANCHMSA-N 1 2 318.424 4.043 20 30 DIEDLO C[C@@H](C[N@H+](CCC#N)Cc1ccco1)c1cc(F)cc(F)c1 ZINC000449004336 1045333199 /nfs/dbraw/zinc/33/31/99/1045333199.db2.gz XJGOYESVMQDUMG-ZDUSSCGKSA-N 1 2 304.340 4.077 20 30 DIEDLO C[C@@H](C[N@@H+](CCC#N)Cc1ccco1)c1cc(F)cc(F)c1 ZINC000449004336 1045333202 /nfs/dbraw/zinc/33/32/02/1045333202.db2.gz XJGOYESVMQDUMG-ZDUSSCGKSA-N 1 2 304.340 4.077 20 30 DIEDLO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000450450879 1045507428 /nfs/dbraw/zinc/50/74/28/1045507428.db2.gz IBHZREDOGGUCBW-NHCUHLMSSA-N 1 2 318.420 4.161 20 30 DIEDLO CC(=O)c1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000450450879 1045507433 /nfs/dbraw/zinc/50/74/33/1045507433.db2.gz IBHZREDOGGUCBW-NHCUHLMSSA-N 1 2 318.420 4.161 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3\C[C@H](C)c4ccccc4C3=O)n21 ZINC000751537518 1045613744 /nfs/dbraw/zinc/61/37/44/1045613744.db2.gz XOPNLURJCCNWMZ-JMRXEAOASA-N 1 2 302.377 4.416 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000530733038 1045718032 /nfs/dbraw/zinc/71/80/32/1045718032.db2.gz XIBFVRZYHVPAAR-VQIMIIECSA-N 1 2 312.363 4.237 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000530733038 1045718047 /nfs/dbraw/zinc/71/80/47/1045718047.db2.gz XIBFVRZYHVPAAR-VQIMIIECSA-N 1 2 312.363 4.237 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(N2CCCCC2)cc1 ZINC000901430514 1045731161 /nfs/dbraw/zinc/73/11/61/1045731161.db2.gz ZAYQHFAJJVNESQ-ZHACJKMWSA-N 1 2 323.440 4.350 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(F)cc1OC(F)F ZINC000901481467 1045744145 /nfs/dbraw/zinc/74/41/45/1045744145.db2.gz VGEZCHQHAJBGHW-XQRVVYSFSA-N 1 2 324.302 4.101 20 30 DIEDLO Cc1[nH]c(/C=C\C(=O)c2ccc(SC(C)C)cc2)[nH+]c1C ZINC000901472966 1045744768 /nfs/dbraw/zinc/74/47/68/1045744768.db2.gz YVQQAOKEKMUKFS-KTKRTIGZSA-N 1 2 300.427 4.423 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2ccc(F)c(Cl)c2C1=O ZINC000901533118 1045758958 /nfs/dbraw/zinc/75/89/58/1045758958.db2.gz ZLPVFAFRNJPSGE-WDZFZDKYSA-N 1 2 304.752 4.079 20 30 DIEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3cccc(C)n13)CC2 ZINC000753900057 1045816632 /nfs/dbraw/zinc/81/66/32/1045816632.db2.gz GZYINOUIRXRZCB-WJDWOHSUSA-N 1 2 302.377 4.164 20 30 DIEDLO Cc1ccc2cc(C(=O)/C=C/c3cccc4[nH+]ccn43)oc2c1 ZINC000754830681 1045930047 /nfs/dbraw/zinc/93/00/47/1045930047.db2.gz UTPLZEUWNMURIT-BQYQJAHWSA-N 1 2 302.333 4.285 20 30 DIEDLO N#Cc1ccccc1OC1C[NH+](Cc2cc3ccccc3s2)C1 ZINC001137688350 1045935369 /nfs/dbraw/zinc/93/53/69/1045935369.db2.gz UAIBFEOXTZWTBV-UHFFFAOYSA-N 1 2 320.417 4.036 20 30 DIEDLO CCN(CC)c1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)c[nH+]1 ZINC000192992121 1045959098 /nfs/dbraw/zinc/95/90/98/1045959098.db2.gz PHFQBBKEBIZEHM-HNNXBMFYSA-N 1 2 324.428 4.003 20 30 DIEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](CCC#N)CC(C)C)c1C ZINC000755671041 1046006265 /nfs/dbraw/zinc/00/62/65/1046006265.db2.gz UGUWWFVBIQXDKF-UHFFFAOYSA-N 1 2 300.446 4.186 20 30 DIEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](CCC#N)CC(C)C)c1C ZINC000755671041 1046006278 /nfs/dbraw/zinc/00/62/78/1046006278.db2.gz UGUWWFVBIQXDKF-UHFFFAOYSA-N 1 2 300.446 4.186 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001138020448 1046060758 /nfs/dbraw/zinc/06/07/58/1046060758.db2.gz NMLCONUAEIEMTC-UHFFFAOYSA-N 1 2 324.268 4.460 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001138020448 1046060773 /nfs/dbraw/zinc/06/07/73/1046060773.db2.gz NMLCONUAEIEMTC-UHFFFAOYSA-N 1 2 324.268 4.460 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001138085645 1046086800 /nfs/dbraw/zinc/08/68/00/1046086800.db2.gz RADXZOPROAMDIS-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001138085645 1046086818 /nfs/dbraw/zinc/08/68/18/1046086818.db2.gz RADXZOPROAMDIS-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000831209434 1046124612 /nfs/dbraw/zinc/12/46/12/1046124612.db2.gz IBIMHRPOKCHRRU-DLBZAZTESA-N 1 2 319.493 4.123 20 30 DIEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(Oc2ccccc2)cn1 ZINC000903035448 1046144357 /nfs/dbraw/zinc/14/43/57/1046144357.db2.gz PLSVTLFCNSCQNR-OAHLLOKOSA-N 1 2 307.397 4.218 20 30 DIEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C(F)(F)F)cn1 ZINC000903054301 1046148281 /nfs/dbraw/zinc/14/82/81/1046148281.db2.gz WIPPPCKHYCQSFX-LBPRGKRZSA-N 1 2 311.351 4.225 20 30 DIEDLO COc1c(Cl)cc(C[NH+]2CCC(C)(C#N)CC2)cc1Cl ZINC001138481042 1046197391 /nfs/dbraw/zinc/19/73/91/1046197391.db2.gz XMCSBUZAFRVOES-UHFFFAOYSA-N 1 2 313.228 4.128 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000758724030 1046287753 /nfs/dbraw/zinc/28/77/53/1046287753.db2.gz ZPSYORQNDNOTSJ-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000758724030 1046287762 /nfs/dbraw/zinc/28/77/62/1046287762.db2.gz ZPSYORQNDNOTSJ-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#CC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000610504432 1046299543 /nfs/dbraw/zinc/29/95/43/1046299543.db2.gz IERJCCFBZRKKFU-UHFFFAOYSA-N 1 2 310.363 4.406 20 30 DIEDLO N#CC[N@H+](CCCc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000610504432 1046299551 /nfs/dbraw/zinc/29/95/51/1046299551.db2.gz IERJCCFBZRKKFU-UHFFFAOYSA-N 1 2 310.363 4.406 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001139285852 1046425473 /nfs/dbraw/zinc/42/54/73/1046425473.db2.gz AIVFRXXQGIARBE-UHFFFAOYSA-N 1 2 300.427 4.159 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001139285852 1046425474 /nfs/dbraw/zinc/42/54/74/1046425474.db2.gz AIVFRXXQGIARBE-UHFFFAOYSA-N 1 2 300.427 4.159 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000826861680 1046474853 /nfs/dbraw/zinc/47/48/53/1046474853.db2.gz IPALFXRSQOVHTM-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000826861680 1046474861 /nfs/dbraw/zinc/47/48/61/1046474861.db2.gz IPALFXRSQOVHTM-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO C#CC[N@@H+](Cc1cc(C)cnc1Cl)[C@@H]1CCc2ccccc21 ZINC001139591571 1046478537 /nfs/dbraw/zinc/47/85/37/1046478537.db2.gz WQJHSYCGZRWMNA-GOSISDBHSA-N 1 2 310.828 4.166 20 30 DIEDLO C#CC[N@H+](Cc1cc(C)cnc1Cl)[C@@H]1CCc2ccccc21 ZINC001139591571 1046478542 /nfs/dbraw/zinc/47/85/42/1046478542.db2.gz WQJHSYCGZRWMNA-GOSISDBHSA-N 1 2 310.828 4.166 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(CSC(F)F)o1 ZINC000093101247 1046610641 /nfs/dbraw/zinc/61/06/41/1046610641.db2.gz KUAJWBKSUKJPID-UHFFFAOYSA-N 1 2 316.417 4.497 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(CSC(F)F)o1 ZINC000093101247 1046610643 /nfs/dbraw/zinc/61/06/43/1046610643.db2.gz KUAJWBKSUKJPID-UHFFFAOYSA-N 1 2 316.417 4.497 20 30 DIEDLO N#Cc1ccc2[nH]cc(C[N@H+]3Cc4ccc(Cl)cc4C3)c2c1 ZINC001140115694 1046594286 /nfs/dbraw/zinc/59/42/86/1046594286.db2.gz JBCHIQHYYZCQBP-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3Cc4ccc(Cl)cc4C3)c2c1 ZINC001140115694 1046594292 /nfs/dbraw/zinc/59/42/92/1046594292.db2.gz JBCHIQHYYZCQBP-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc2cnccc21 ZINC001140140780 1046600652 /nfs/dbraw/zinc/60/06/52/1046600652.db2.gz KZWDENQEEFOQBB-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc2cnccc21 ZINC001140140780 1046600655 /nfs/dbraw/zinc/60/06/55/1046600655.db2.gz KZWDENQEEFOQBB-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO CCOc1cccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783707090 1046625296 /nfs/dbraw/zinc/62/52/96/1046625296.db2.gz FPWHZUHSULYYGY-SREVYHEPSA-N 1 2 324.405 4.229 20 30 DIEDLO Cc1cc(F)ccc1C(=O)/C=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783706432 1046625349 /nfs/dbraw/zinc/62/53/49/1046625349.db2.gz HFNFNADWFLVPEV-HWKANZROSA-N 1 2 312.369 4.277 20 30 DIEDLO Cc1ccsc1C(=O)/C=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783705951 1046625938 /nfs/dbraw/zinc/62/59/38/1046625938.db2.gz DJNDVBNRHPVUEW-NSCUHMNNSA-N 1 2 300.408 4.200 20 30 DIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cc(F)cc(F)c1 ZINC000783711182 1046626850 /nfs/dbraw/zinc/62/68/50/1046626850.db2.gz VDCYNCPIXMCCBP-UPHRSURJSA-N 1 2 316.332 4.108 20 30 DIEDLO C=CCC[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000454705271 1046641527 /nfs/dbraw/zinc/64/15/27/1046641527.db2.gz XRVYVILVVMBWHU-IBGZPJMESA-N 1 2 323.440 4.205 20 30 DIEDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)n1 ZINC000533538555 1046750062 /nfs/dbraw/zinc/75/00/62/1046750062.db2.gz VJZNLSRNVUXICO-IBGZPJMESA-N 1 2 310.828 4.232 20 30 DIEDLO Cc1cccc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)n1 ZINC000533538555 1046750075 /nfs/dbraw/zinc/75/00/75/1046750075.db2.gz VJZNLSRNVUXICO-IBGZPJMESA-N 1 2 310.828 4.232 20 30 DIEDLO C=CC(C)(C)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000835403353 1046817237 /nfs/dbraw/zinc/81/72/37/1046817237.db2.gz IJLVQRUELNAJSO-UHFFFAOYSA-N 1 2 310.397 4.004 20 30 DIEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC#Cc1ccccc1Cl ZINC000679542686 1046863501 /nfs/dbraw/zinc/86/35/01/1046863501.db2.gz BAWBEMLRSVCLAF-JSGCOSHPSA-N 1 2 315.766 4.354 20 30 DIEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC#Cc1ccccc1Cl ZINC000679542686 1046863516 /nfs/dbraw/zinc/86/35/16/1046863516.db2.gz BAWBEMLRSVCLAF-JSGCOSHPSA-N 1 2 315.766 4.354 20 30 DIEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H]2c2ccccc2F)cc1F ZINC001140754128 1046885829 /nfs/dbraw/zinc/88/58/29/1046885829.db2.gz PHBHECHEXWXMQJ-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)cc1F ZINC001140754128 1046885833 /nfs/dbraw/zinc/88/58/33/1046885833.db2.gz PHBHECHEXWXMQJ-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO CC[N@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1cccc(F)c1F ZINC001140756572 1046887624 /nfs/dbraw/zinc/88/76/24/1046887624.db2.gz NFGHANCPSUXGQK-UHFFFAOYSA-N 1 2 322.305 4.137 20 30 DIEDLO CC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1cccc(F)c1F ZINC001140756572 1046887635 /nfs/dbraw/zinc/88/76/35/1046887635.db2.gz NFGHANCPSUXGQK-UHFFFAOYSA-N 1 2 322.305 4.137 20 30 DIEDLO N#CCC[N@H+](Cc1c[nH]c2ncccc12)Cc1ccc(Cl)cc1 ZINC001137404846 1046962354 /nfs/dbraw/zinc/96/23/54/1046962354.db2.gz SXUDMAMOEVXWKF-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCC[N@@H+](Cc1c[nH]c2ncccc12)Cc1ccc(Cl)cc1 ZINC001137404846 1046962364 /nfs/dbraw/zinc/96/23/64/1046962364.db2.gz SXUDMAMOEVXWKF-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO CN(Cc1ccccc1)c1ccc([NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000799724771 1047057491 /nfs/dbraw/zinc/05/74/91/1047057491.db2.gz RTDLQMVIYCTZFO-HKUYNNGSSA-N 1 2 305.425 4.427 20 30 DIEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)ccc1OCc1ccccc1 ZINC001141254171 1047065586 /nfs/dbraw/zinc/06/55/86/1047065586.db2.gz DQNLHNBANOHILO-FQEVSTJZSA-N 1 2 320.436 4.310 20 30 DIEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)ccc1OCc1ccccc1 ZINC001141254171 1047065599 /nfs/dbraw/zinc/06/55/99/1047065599.db2.gz DQNLHNBANOHILO-FQEVSTJZSA-N 1 2 320.436 4.310 20 30 DIEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(OCc2ccccc2)c1)C1CC1 ZINC000536709867 1047085685 /nfs/dbraw/zinc/08/56/85/1047085685.db2.gz PKIHXVUWNOXPFG-KRWDZBQOSA-N 1 2 320.436 4.390 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(OCc2ccccc2)c1)C1CC1 ZINC000536709867 1047085699 /nfs/dbraw/zinc/08/56/99/1047085699.db2.gz PKIHXVUWNOXPFG-KRWDZBQOSA-N 1 2 320.436 4.390 20 30 DIEDLO Cc1nc(C(F)(F)F)ccc1C[N@H+](CCC#N)C1CCCC1 ZINC001141430779 1047129762 /nfs/dbraw/zinc/12/97/62/1047129762.db2.gz MQOFQOXLCMGURA-UHFFFAOYSA-N 1 2 311.351 4.067 20 30 DIEDLO Cc1nc(C(F)(F)F)ccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001141430779 1047129767 /nfs/dbraw/zinc/12/97/67/1047129767.db2.gz MQOFQOXLCMGURA-UHFFFAOYSA-N 1 2 311.351 4.067 20 30 DIEDLO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(Cl)n1 ZINC000838803013 1047159859 /nfs/dbraw/zinc/15/98/59/1047159859.db2.gz VVXYQAKRPKTOQA-UHFFFAOYSA-N 1 2 311.816 4.080 20 30 DIEDLO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(Cl)n1 ZINC000838803013 1047159865 /nfs/dbraw/zinc/15/98/65/1047159865.db2.gz VVXYQAKRPKTOQA-UHFFFAOYSA-N 1 2 311.816 4.080 20 30 DIEDLO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)c2csnn2)cc1 ZINC000840886052 1047352517 /nfs/dbraw/zinc/35/25/17/1047352517.db2.gz MTFMYTQTGIGPFO-RYUDHWBXSA-N 1 2 323.849 4.081 20 30 DIEDLO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)c2csnn2)cc1 ZINC000840886051 1047353544 /nfs/dbraw/zinc/35/35/44/1047353544.db2.gz MTFMYTQTGIGPFO-NWDGAFQWSA-N 1 2 323.849 4.081 20 30 DIEDLO C=CCCn1cc(C[N@@H+](CC)[C@H](C)c2cc3ccccc3o2)nn1 ZINC000653505539 1047394198 /nfs/dbraw/zinc/39/41/98/1047394198.db2.gz SOTNFTLKDYCLAI-OAHLLOKOSA-N 1 2 324.428 4.184 20 30 DIEDLO C=CCCn1cc(C[N@H+](CC)[C@H](C)c2cc3ccccc3o2)nn1 ZINC000653505539 1047394209 /nfs/dbraw/zinc/39/42/09/1047394209.db2.gz SOTNFTLKDYCLAI-OAHLLOKOSA-N 1 2 324.428 4.184 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1ncccc1C(F)(F)F ZINC000119928632 1047473364 /nfs/dbraw/zinc/47/33/64/1047473364.db2.gz NDRJQSFNHSFNOQ-UHFFFAOYSA-N 1 2 312.360 4.350 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1ncccc1C(F)(F)F ZINC000119928632 1047473375 /nfs/dbraw/zinc/47/33/75/1047473375.db2.gz NDRJQSFNHSFNOQ-UHFFFAOYSA-N 1 2 312.360 4.350 20 30 DIEDLO C=CCOc1ccc(C[N@@H+](Cc2cn[nH]c2C)C(C)(C)C)cc1 ZINC000120075705 1047482546 /nfs/dbraw/zinc/48/25/46/1047482546.db2.gz KAVJRYRZFVLWNX-UHFFFAOYSA-N 1 2 313.445 4.084 20 30 DIEDLO C=CCOc1ccc(C[N@H+](Cc2cn[nH]c2C)C(C)(C)C)cc1 ZINC000120075705 1047482548 /nfs/dbraw/zinc/48/25/48/1047482548.db2.gz KAVJRYRZFVLWNX-UHFFFAOYSA-N 1 2 313.445 4.084 20 30 DIEDLO CC[N@H+](Cc1ccc(C)c(C)c1)Cc1c(F)ccc(C#N)c1F ZINC001143176041 1047538364 /nfs/dbraw/zinc/53/83/64/1047538364.db2.gz OOJASUVGEQGOHY-UHFFFAOYSA-N 1 2 314.379 4.475 20 30 DIEDLO CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1c(F)ccc(C#N)c1F ZINC001143176041 1047538368 /nfs/dbraw/zinc/53/83/68/1047538368.db2.gz OOJASUVGEQGOHY-UHFFFAOYSA-N 1 2 314.379 4.475 20 30 DIEDLO CC[N@H+](Cc1ccc(C)cc1)Cc1c(F)ccc(C#N)c1F ZINC001143175872 1047539093 /nfs/dbraw/zinc/53/90/93/1047539093.db2.gz IUJGRZYWXHXCGR-UHFFFAOYSA-N 1 2 300.352 4.167 20 30 DIEDLO CC[N@@H+](Cc1ccc(C)cc1)Cc1c(F)ccc(C#N)c1F ZINC001143175872 1047539096 /nfs/dbraw/zinc/53/90/96/1047539096.db2.gz IUJGRZYWXHXCGR-UHFFFAOYSA-N 1 2 300.352 4.167 20 30 DIEDLO Cc1cc([NH+](C)C)ccc1NC1CC(C#N)(c2ccccc2)C1 ZINC000237145578 1047580896 /nfs/dbraw/zinc/58/08/96/1047580896.db2.gz TVHHHDABKGFJFI-UHFFFAOYSA-N 1 2 305.425 4.097 20 30 DIEDLO CC(=[NH+]Nc1ccc(C#N)c(Cl)c1)c1ccccc1N(C)C ZINC000783877989 1047587945 /nfs/dbraw/zinc/58/79/45/1047587945.db2.gz PFZRIIMACSQDPU-UHFFFAOYSA-N 1 2 312.804 4.114 20 30 DIEDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCC(C)(C)C#N ZINC000538465311 1047680421 /nfs/dbraw/zinc/68/04/21/1047680421.db2.gz SZXTZYQXMWMQHX-XJKSGUPXSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCC(C)(C)C#N ZINC000538465311 1047680423 /nfs/dbraw/zinc/68/04/23/1047680423.db2.gz SZXTZYQXMWMQHX-XJKSGUPXSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@H](Nc1cc(CC#N)cc[nH+]1)c1ccc(Br)s1 ZINC001156103250 1047700698 /nfs/dbraw/zinc/70/06/98/1047700698.db2.gz KOOHEYVIXQMQMR-VIFPVBQESA-N 1 2 322.231 4.145 20 30 DIEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@@H]3c3c(F)cccc3F)c12 ZINC001156949339 1047730002 /nfs/dbraw/zinc/73/00/02/1047730002.db2.gz YJPCELRKJVCNDB-OAHLLOKOSA-N 1 2 324.334 4.054 20 30 DIEDLO Cc1cccc(CN(c2[nH+]ccc3[nH]cc(C#N)c32)C2CC2)c1C ZINC001158041123 1047768956 /nfs/dbraw/zinc/76/89/56/1047768956.db2.gz ACJYNEJRXBGJOB-UHFFFAOYSA-N 1 2 316.408 4.220 20 30 DIEDLO Cc1nc(NCc2ccc(C#N)c(F)c2)cc(C2CCCCC2)[nH+]1 ZINC001159087011 1047811446 /nfs/dbraw/zinc/81/14/46/1047811446.db2.gz QUXHXXVZCSDDIK-UHFFFAOYSA-N 1 2 324.403 4.456 20 30 DIEDLO CC(C)(S)CNc1cc(SCc2ccccc2)cc[nH+]1 ZINC001159269279 1047825607 /nfs/dbraw/zinc/82/56/07/1047825607.db2.gz IHGZXTHDVWZKJK-UHFFFAOYSA-N 1 2 304.484 4.494 20 30 DIEDLO CC1(C)CC(Nc2[nH+]ccc3ccc(C#N)cc32)CC(C)(C)O1 ZINC001159314715 1047833521 /nfs/dbraw/zinc/83/35/21/1047833521.db2.gz AWSYBGXFVPKSQY-UHFFFAOYSA-N 1 2 309.413 4.255 20 30 DIEDLO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001197621796 1047851011 /nfs/dbraw/zinc/85/10/11/1047851011.db2.gz KMTUAZDETTVNIV-MRXNPFEDSA-N 1 2 308.425 4.363 20 30 DIEDLO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C#N)C1 ZINC001197621796 1047851030 /nfs/dbraw/zinc/85/10/30/1047851030.db2.gz KMTUAZDETTVNIV-MRXNPFEDSA-N 1 2 308.425 4.363 20 30 DIEDLO Cc1cc(C#N)c(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001174525299 1047855779 /nfs/dbraw/zinc/85/57/79/1047855779.db2.gz ULFUUIYFJXIIPR-UHFFFAOYSA-N 1 2 310.376 4.135 20 30 DIEDLO O=C1c2ccc(Cl)cc2OCC/C1=C/c1cccc2[nH+]ccn21 ZINC000774559029 1047862374 /nfs/dbraw/zinc/86/23/74/1047862374.db2.gz OVSQVWPINMPGEM-BENRWUELSA-N 1 2 324.767 4.037 20 30 DIEDLO N#Cc1c2c(sc1Nc1ccc(N3CCCCC3)[nH+]c1)CCC2 ZINC001174522873 1047883948 /nfs/dbraw/zinc/88/39/48/1047883948.db2.gz APPGHYMQGPCMHL-UHFFFAOYSA-N 1 2 324.453 4.237 20 30 DIEDLO C=C(C)C[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C(=O)OC ZINC001183323992 1047917415 /nfs/dbraw/zinc/91/74/15/1047917415.db2.gz JFOJPGJZDCRGIU-PVAVHDDUSA-N 1 2 321.848 4.074 20 30 DIEDLO C=C(C)C[C@@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)C(=O)OCC ZINC001183551505 1047941755 /nfs/dbraw/zinc/94/17/55/1047941755.db2.gz RYULONIBMCKZBF-BDVYOWHSSA-N 1 2 321.848 4.074 20 30 DIEDLO N#Cc1ccc(OCCNc2[nH+]ccc3cc(Cl)ccc32)cc1 ZINC001160281165 1048022687 /nfs/dbraw/zinc/02/26/87/1048022687.db2.gz PFCFDBVGGMRNQB-UHFFFAOYSA-N 1 2 323.783 4.251 20 30 DIEDLO N#CCc1cc[nH+]c(N[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)c1 ZINC001160509587 1048063667 /nfs/dbraw/zinc/06/36/67/1048063667.db2.gz WIZKIYFGEWYRCD-KVPLUYHFSA-N 1 2 303.409 4.142 20 30 DIEDLO C=CCCCCC[NH2+][C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC001175015709 1048071890 /nfs/dbraw/zinc/07/18/90/1048071890.db2.gz LKGHMZDXIMKLMP-GOSISDBHSA-N 1 2 323.864 4.150 20 30 DIEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(F)c1Cl ZINC001184965197 1048107421 /nfs/dbraw/zinc/10/74/21/1048107421.db2.gz UFSVVHKABWWTNU-UHFFFAOYSA-N 1 2 316.767 4.090 20 30 DIEDLO N#Cc1ccc(-c2ccccc2Nc2cccc3[nH+]c[nH]c32)nc1 ZINC001213034441 1048151489 /nfs/dbraw/zinc/15/14/89/1048151489.db2.gz KLKGCAOULNKYDP-UHFFFAOYSA-N 1 2 311.348 4.240 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N[C@@H](c3cncc(F)c3)C3CC3)c2c1 ZINC001161812669 1048175781 /nfs/dbraw/zinc/17/57/81/1048175781.db2.gz XFLWSLQNICDAEZ-GOSISDBHSA-N 1 2 318.355 4.204 20 30 DIEDLO CC(=O)Nc1ccc(Nc2ccc([NH2+]C(C)C)cc2)cc1C#N ZINC001201497048 1048285048 /nfs/dbraw/zinc/28/50/48/1048285048.db2.gz CJMHUGSYXZXROI-UHFFFAOYSA-N 1 2 308.385 4.081 20 30 DIEDLO CSc1cc(Nc2ccc(C(F)(F)F)cc2C#N)cc[nH+]1 ZINC001201690739 1048359156 /nfs/dbraw/zinc/35/91/56/1048359156.db2.gz KEJSRNWBPUKTJG-UHFFFAOYSA-N 1 2 309.316 4.438 20 30 DIEDLO C=CC[C@@H](Nc1[nH+]cc(C)cc1C(OC)OC)c1ccccc1 ZINC001162905581 1048382756 /nfs/dbraw/zinc/38/27/56/1048382756.db2.gz HYVSGEYDAYAKHL-QGZVFWFLSA-N 1 2 312.413 4.411 20 30 DIEDLO O=C1C=C(Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)CCC1 ZINC001163454524 1048472557 /nfs/dbraw/zinc/47/25/57/1048472557.db2.gz VQHRHKGSCOJCAR-UHFFFAOYSA-N 1 2 303.365 4.074 20 30 DIEDLO Cc1ccc(Cl)c(CNc2cc(C3(C#N)CC3)cc[nH+]2)c1F ZINC001163656772 1048498267 /nfs/dbraw/zinc/49/82/67/1048498267.db2.gz VQMDJOOYZUBLCG-UHFFFAOYSA-N 1 2 315.779 4.350 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cccc(O)c1OC)c1ccc(F)c(F)c1 ZINC000482505001 1048620435 /nfs/dbraw/zinc/62/04/35/1048620435.db2.gz NHEBNDXRXFBMQP-QGZVFWFLSA-N 1 2 319.351 4.086 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(CSC(F)F)o2)CCCCC1 ZINC000850390668 1048645894 /nfs/dbraw/zinc/64/58/94/1048645894.db2.gz NJTYWUILFDKWMZ-UHFFFAOYSA-N 1 2 314.401 4.299 20 30 DIEDLO Cc1ccc2[nH+]c(CSc3c(Cl)cccc3C#N)cn2c1 ZINC001190010843 1048683637 /nfs/dbraw/zinc/68/36/37/1048683637.db2.gz NGZWBOJKTSWJLS-UHFFFAOYSA-N 1 2 313.813 4.460 20 30 DIEDLO CC(C)(Nc1[nH+]cccc1-n1cccc1)c1ccc(C#N)cc1 ZINC001165734948 1048711236 /nfs/dbraw/zinc/71/12/36/1048711236.db2.gz SEKSVLUOKSUBRD-UHFFFAOYSA-N 1 2 302.381 4.091 20 30 DIEDLO CN(Cc1ccc(C#N)cc1)c1[nH+]ccc2cc(Cl)ccc21 ZINC001166538016 1048759601 /nfs/dbraw/zinc/75/96/01/1048759601.db2.gz NOYISDJDCBAXJN-UHFFFAOYSA-N 1 2 307.784 4.396 20 30 DIEDLO N#Cc1ccc2ccccc2c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749066 1048778487 /nfs/dbraw/zinc/77/84/87/1048778487.db2.gz RRIHPTMNONBGRW-UHFFFAOYSA-N 1 2 314.392 4.450 20 30 DIEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c2ccccc12 ZINC001176748941 1048778810 /nfs/dbraw/zinc/77/88/10/1048778810.db2.gz KHGSXGHQVZNHQA-UHFFFAOYSA-N 1 2 314.392 4.450 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccc(F)cc1Cl ZINC000483966477 1048887089 /nfs/dbraw/zinc/88/70/89/1048887089.db2.gz VMYSIXLNIGNUPD-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccc(F)cc1Cl ZINC000483966477 1048887103 /nfs/dbraw/zinc/88/71/03/1048887103.db2.gz VMYSIXLNIGNUPD-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1C(F)(F)F ZINC000484372829 1048931888 /nfs/dbraw/zinc/93/18/88/1048931888.db2.gz KZCAYYWEGWOYPR-CQSZACIVSA-N 1 2 314.326 4.108 20 30 DIEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1C(F)(F)F ZINC000484372829 1048931897 /nfs/dbraw/zinc/93/18/97/1048931897.db2.gz KZCAYYWEGWOYPR-CQSZACIVSA-N 1 2 314.326 4.108 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2nc(-c3ccc(C#N)s3)cs2)c1 ZINC001203660142 1048951075 /nfs/dbraw/zinc/95/10/75/1048951075.db2.gz FKODTMKXLDLILT-UHFFFAOYSA-N 1 2 312.423 4.499 20 30 DIEDLO COc1cccc(C#N)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203719913 1048980134 /nfs/dbraw/zinc/98/01/34/1048980134.db2.gz ZOUBWFRTXMDBBC-UHFFFAOYSA-N 1 2 307.397 4.301 20 30 DIEDLO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000776803220 1049028264 /nfs/dbraw/zinc/02/82/64/1049028264.db2.gz XJTKNGPVMOIJDC-AWEZNQCLSA-N 1 2 309.388 4.471 20 30 DIEDLO N#CC1(c2ccccc2)CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC001204214270 1049113774 /nfs/dbraw/zinc/11/37/74/1049113774.db2.gz RVRZHXSVYIPAGT-UHFFFAOYSA-N 1 2 312.363 4.022 20 30 DIEDLO C=CCOc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001204306420 1049136846 /nfs/dbraw/zinc/13/68/46/1049136846.db2.gz RZWYLNJLCZLDFI-UHFFFAOYSA-N 1 2 315.363 4.088 20 30 DIEDLO C=CCOc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001204306420 1049136852 /nfs/dbraw/zinc/13/68/52/1049136852.db2.gz RZWYLNJLCZLDFI-UHFFFAOYSA-N 1 2 315.363 4.088 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1ccccc1OCc1ccccc1 ZINC001204331590 1049144303 /nfs/dbraw/zinc/14/43/03/1049144303.db2.gz KBGASLUERJAJNB-UHFFFAOYSA-N 1 2 308.425 4.391 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1ccccc1OCc1ccccc1 ZINC001204331590 1049144310 /nfs/dbraw/zinc/14/43/10/1049144310.db2.gz KBGASLUERJAJNB-UHFFFAOYSA-N 1 2 308.425 4.391 20 30 DIEDLO CCCCCCOc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC001204365946 1049151195 /nfs/dbraw/zinc/15/11/95/1049151195.db2.gz BVPQAVKOBDAPFG-GOSISDBHSA-N 1 2 300.446 4.381 20 30 DIEDLO CCCCCCOc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001204365946 1049151203 /nfs/dbraw/zinc/15/12/03/1049151203.db2.gz BVPQAVKOBDAPFG-GOSISDBHSA-N 1 2 300.446 4.381 20 30 DIEDLO C=CCOc1c(Cl)cc(C[NH+]2CCC(=C)CC2)cc1OC ZINC001204462364 1049168989 /nfs/dbraw/zinc/16/89/89/1049168989.db2.gz ZGAOATVZAZZZTA-UHFFFAOYSA-N 1 2 307.821 4.065 20 30 DIEDLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001204474386 1049170869 /nfs/dbraw/zinc/17/08/69/1049170869.db2.gz MECMEGKLXYWNFN-JTQLQIEISA-N 1 2 315.232 4.229 20 30 DIEDLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001204474386 1049170880 /nfs/dbraw/zinc/17/08/80/1049170880.db2.gz MECMEGKLXYWNFN-JTQLQIEISA-N 1 2 315.232 4.229 20 30 DIEDLO CCCCCCCCC/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857963018 1049213352 /nfs/dbraw/zinc/21/33/52/1049213352.db2.gz QAVLVUYFROPUGL-SXSDINLZSA-N 1 2 317.477 4.011 20 30 DIEDLO CCCCCCCC[C@@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857946519 1049213377 /nfs/dbraw/zinc/21/33/77/1049213377.db2.gz WFHGZXZSUBPCMK-IAGOWNOFSA-N 1 2 319.493 4.091 20 30 DIEDLO C=C(C)[C@@H]([NH2+]CC(=O)c1ccccc1F)c1ccc(F)c(F)c1 ZINC001193575583 1049228126 /nfs/dbraw/zinc/22/81/26/1049228126.db2.gz QSAAAZIFQBJMQY-GOSISDBHSA-N 1 2 319.326 4.194 20 30 DIEDLO CCCCCCCOC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001194004616 1049296837 /nfs/dbraw/zinc/29/68/37/1049296837.db2.gz XZFVILLHSWFSPR-UHFFFAOYSA-N 1 2 301.390 4.391 20 30 DIEDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC001180188875 1049298411 /nfs/dbraw/zinc/29/84/11/1049298411.db2.gz KNHOQECGFAHRKE-IBGZPJMESA-N 1 2 324.399 4.433 20 30 DIEDLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC001180188875 1049298424 /nfs/dbraw/zinc/29/84/24/1049298424.db2.gz KNHOQECGFAHRKE-IBGZPJMESA-N 1 2 324.399 4.433 20 30 DIEDLO CCCCCCCOC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001193993630 1049304992 /nfs/dbraw/zinc/30/49/92/1049304992.db2.gz KNLULACBPSWOAD-UHFFFAOYSA-N 1 2 320.433 4.032 20 30 DIEDLO N#Cc1cc(-c2ccccc2)oc1Nc1ccn2cc[nH+]c2c1 ZINC001204959134 1049321792 /nfs/dbraw/zinc/32/17/92/1049321792.db2.gz GIFUYHHSCXUADZ-UHFFFAOYSA-N 1 2 300.321 4.210 20 30 DIEDLO CCCCCCCCOC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001194753304 1049417127 /nfs/dbraw/zinc/41/71/27/1049417127.db2.gz FVEGTENQXHBNMT-UHFFFAOYSA-N 1 2 307.438 4.195 20 30 DIEDLO CCCCCCC[C@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001181121137 1049441758 /nfs/dbraw/zinc/44/17/58/1049441758.db2.gz DRULJJCQGVKWSQ-INIZCTEOSA-N 1 2 305.466 4.043 20 30 DIEDLO Cc1cc(C[N@@H+](C)[C@H](C)c2c(F)cccc2F)ccc1C#N ZINC000486733564 1049463440 /nfs/dbraw/zinc/46/34/40/1049463440.db2.gz FLUIKTAFBFAXDI-CYBMUJFWSA-N 1 2 300.352 4.338 20 30 DIEDLO Cc1cc(C[N@H+](C)[C@H](C)c2c(F)cccc2F)ccc1C#N ZINC000486733564 1049463446 /nfs/dbraw/zinc/46/34/46/1049463446.db2.gz FLUIKTAFBFAXDI-CYBMUJFWSA-N 1 2 300.352 4.338 20 30 DIEDLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001195124111 1049478865 /nfs/dbraw/zinc/47/88/65/1049478865.db2.gz RTAKQJIDUADHSM-IBGZPJMESA-N 1 2 312.363 4.482 20 30 DIEDLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC001195124111 1049478875 /nfs/dbraw/zinc/47/88/75/1049478875.db2.gz RTAKQJIDUADHSM-IBGZPJMESA-N 1 2 312.363 4.482 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)ccc1F ZINC001205478955 1049481057 /nfs/dbraw/zinc/48/10/57/1049481057.db2.gz JTTSKEQWZVOKIB-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)ccc1F ZINC001205478955 1049481064 /nfs/dbraw/zinc/48/10/64/1049481064.db2.gz JTTSKEQWZVOKIB-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1F ZINC001195357293 1049518776 /nfs/dbraw/zinc/51/87/76/1049518776.db2.gz BIQVTZCHQLMHIP-ZDUSSCGKSA-N 1 2 300.352 4.338 20 30 DIEDLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1F ZINC001195357293 1049518792 /nfs/dbraw/zinc/51/87/92/1049518792.db2.gz BIQVTZCHQLMHIP-ZDUSSCGKSA-N 1 2 300.352 4.338 20 30 DIEDLO N#Cc1c(F)cccc1C[NH+]1CC(Cc2ccc(Cl)cc2)C1 ZINC001182214926 1049592130 /nfs/dbraw/zinc/59/21/30/1049592130.db2.gz AUWKJTWXCBGUEP-UHFFFAOYSA-N 1 2 314.791 4.025 20 30 DIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001205898435 1049594979 /nfs/dbraw/zinc/59/49/79/1049594979.db2.gz CBENVYHKDIPEEF-CVEARBPZSA-N 1 2 301.434 4.263 20 30 DIEDLO Cc1ccc(CSc2nc(C(F)(F)F)ccc2C#N)c(C)[nH+]1 ZINC000488777912 1049695884 /nfs/dbraw/zinc/69/58/84/1049695884.db2.gz APAIIPSZMRQFMN-UHFFFAOYSA-N 1 2 323.343 4.276 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000055102601 1049915027 /nfs/dbraw/zinc/91/50/27/1049915027.db2.gz SGBXIYFDMBLQQB-CVEARBPZSA-N 1 2 321.424 4.091 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000055102601 1049915035 /nfs/dbraw/zinc/91/50/35/1049915035.db2.gz SGBXIYFDMBLQQB-CVEARBPZSA-N 1 2 321.424 4.091 20 30 DIEDLO CC(C)(C)n1c2ccccc2[nH+]c1NCc1cccc(F)c1C#N ZINC001207873365 1049949331 /nfs/dbraw/zinc/94/93/31/1049949331.db2.gz SERLNDDGLXDMBQ-UHFFFAOYSA-N 1 2 322.387 4.414 20 30 DIEDLO C[C@@H](C[N@H+](CCC#N)Cc1ccccc1)OCc1ccccc1 ZINC001208698389 1050003556 /nfs/dbraw/zinc/00/35/56/1050003556.db2.gz HOFBYRCOFDROSF-SFHVURJKSA-N 1 2 308.425 4.008 20 30 DIEDLO C[C@@H](C[N@@H+](CCC#N)Cc1ccccc1)OCc1ccccc1 ZINC001208698389 1050003557 /nfs/dbraw/zinc/00/35/57/1050003557.db2.gz HOFBYRCOFDROSF-SFHVURJKSA-N 1 2 308.425 4.008 20 30 DIEDLO N#CCC[N@@H+](CCCc1ccccc1Cl)Cc1cccnc1 ZINC001208871557 1050018880 /nfs/dbraw/zinc/01/88/80/1050018880.db2.gz LPXFGEMBVKVURX-UHFFFAOYSA-N 1 2 313.832 4.083 20 30 DIEDLO N#CCC[N@H+](CCCc1ccccc1Cl)Cc1cccnc1 ZINC001208871557 1050018885 /nfs/dbraw/zinc/01/88/85/1050018885.db2.gz LPXFGEMBVKVURX-UHFFFAOYSA-N 1 2 313.832 4.083 20 30 DIEDLO N#CCC[N@@H+](Cc1c[nH]c2ncc(Cl)cc12)Cc1ccccc1 ZINC001209591761 1050070487 /nfs/dbraw/zinc/07/04/87/1050070487.db2.gz CKNLVSZCCWSSNV-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCC[N@H+](Cc1c[nH]c2ncc(Cl)cc12)Cc1ccccc1 ZINC001209591761 1050070493 /nfs/dbraw/zinc/07/04/93/1050070493.db2.gz CKNLVSZCCWSSNV-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCCC[C@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccccc1 ZINC000590069695 1050076347 /nfs/dbraw/zinc/07/63/47/1050076347.db2.gz HQFLYRZDKRHHHZ-KRWDZBQOSA-N 1 2 304.397 4.088 20 30 DIEDLO Cc1cc(Oc2ccc(Nc3cncc(C#N)c3)cc2)cc[nH+]1 ZINC001210091427 1050134768 /nfs/dbraw/zinc/13/47/68/1050134768.db2.gz OWSZDYRXKKYNNL-UHFFFAOYSA-N 1 2 302.337 4.193 20 30 DIEDLO Cc1cc(Oc2ccc(Nc3cccnc3C#N)cc2)cc[nH+]1 ZINC001210148903 1050144362 /nfs/dbraw/zinc/14/43/62/1050144362.db2.gz WQSVCJVFOWFYOA-UHFFFAOYSA-N 1 2 302.337 4.193 20 30 DIEDLO C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770391807 1050154938 /nfs/dbraw/zinc/15/49/38/1050154938.db2.gz QCQVZKLGVLRNKE-NYXAKURHSA-N 1 2 318.420 4.035 20 30 DIEDLO C/C(=C/c1ccccc1)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770391807 1050154943 /nfs/dbraw/zinc/15/49/43/1050154943.db2.gz QCQVZKLGVLRNKE-NYXAKURHSA-N 1 2 318.420 4.035 20 30 DIEDLO N#CCC1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000573317329 1050166364 /nfs/dbraw/zinc/16/63/64/1050166364.db2.gz WUOGNBPBKDUWKQ-UHFFFAOYSA-N 1 2 303.768 4.157 20 30 DIEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC001171049742 1050191317 /nfs/dbraw/zinc/19/13/17/1050191317.db2.gz QOUPOOCSYVNJKS-HNNXBMFYSA-N 1 2 320.477 4.045 20 30 DIEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC001171049742 1050191321 /nfs/dbraw/zinc/19/13/21/1050191321.db2.gz QOUPOOCSYVNJKS-HNNXBMFYSA-N 1 2 320.477 4.045 20 30 DIEDLO CC(=[NH+]Nc1cc(F)c(F)cc1F)c1ccc(N(C)C)cc1 ZINC000734301732 1050244304 /nfs/dbraw/zinc/24/43/04/1050244304.db2.gz MWMNUUCDNOXISM-UHFFFAOYSA-N 1 2 307.319 4.006 20 30 DIEDLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccncc1C#N ZINC000592066208 1050267790 /nfs/dbraw/zinc/26/77/90/1050267790.db2.gz OCANMURVSXUZER-GFCCVEGCSA-N 1 2 319.330 4.165 20 30 DIEDLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592066208 1050267803 /nfs/dbraw/zinc/26/78/03/1050267803.db2.gz OCANMURVSXUZER-GFCCVEGCSA-N 1 2 319.330 4.165 20 30 DIEDLO N#Cc1cnccc1C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000592073923 1050268508 /nfs/dbraw/zinc/26/85/08/1050268508.db2.gz SLFGYPXXTSBSHY-UHFFFAOYSA-N 1 2 318.207 4.039 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088454 1050307870 /nfs/dbraw/zinc/30/78/70/1050307870.db2.gz UWIAPUMRLZGIMG-SMDDNHRTSA-N 1 2 309.240 4.086 20 30 DIEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088454 1050307878 /nfs/dbraw/zinc/30/78/78/1050307878.db2.gz UWIAPUMRLZGIMG-SMDDNHRTSA-N 1 2 309.240 4.086 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]\CCC2CC(OC(C)(C)C)C2)c1 ZINC000760989790 1050327693 /nfs/dbraw/zinc/32/76/93/1050327693.db2.gz GSNFKLVAZWAFMW-MOSHPQCFSA-N 1 2 319.445 4.194 20 30 DIEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2CCCO[C@H]2C(C)(C)C)c(O)c1 ZINC000735619420 1050412600 /nfs/dbraw/zinc/41/26/00/1050412600.db2.gz MVZNJYPXCUNBSW-RETISNGPSA-N 1 2 319.445 4.051 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)nc1 ZINC001144163012 1050484480 /nfs/dbraw/zinc/48/44/80/1050484480.db2.gz ILXXXBXQHFVERY-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)nc1 ZINC001144163012 1050484490 /nfs/dbraw/zinc/48/44/90/1050484490.db2.gz ILXXXBXQHFVERY-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)nc1 ZINC001144163013 1050484916 /nfs/dbraw/zinc/48/49/16/1050484916.db2.gz ILXXXBXQHFVERY-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)nc1 ZINC001144163013 1050484919 /nfs/dbraw/zinc/48/49/19/1050484919.db2.gz ILXXXBXQHFVERY-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)co2)cc1 ZINC000046530421 1050492168 /nfs/dbraw/zinc/49/21/68/1050492168.db2.gz REUFNHQVDIBLPR-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C#N)cc3)co2)cc1 ZINC000046530421 1050492183 /nfs/dbraw/zinc/49/21/83/1050492183.db2.gz REUFNHQVDIBLPR-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171167798 1050549564 /nfs/dbraw/zinc/54/95/64/1050549564.db2.gz YLQNFQGAUHMHCO-FZMZJTMJSA-N 1 2 309.240 4.086 20 30 DIEDLO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171167798 1050549572 /nfs/dbraw/zinc/54/95/72/1050549572.db2.gz YLQNFQGAUHMHCO-FZMZJTMJSA-N 1 2 309.240 4.086 20 30 DIEDLO Cc1nc(C#N)ccc1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212614016 1050575573 /nfs/dbraw/zinc/57/55/73/1050575573.db2.gz BNPNPBUSWNCCNL-UHFFFAOYSA-N 1 2 321.428 4.169 20 30 DIEDLO Cc1cc(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)cnc1C#N ZINC001212614274 1050581816 /nfs/dbraw/zinc/58/18/16/1050581816.db2.gz KMJMVOMLTRZRNS-UHFFFAOYSA-N 1 2 321.428 4.169 20 30 DIEDLO CN(c1ccc(Nc2cc(C#N)ccc2O)c[nH+]1)C1CCCCC1 ZINC001212614333 1050583579 /nfs/dbraw/zinc/58/35/79/1050583579.db2.gz LLRUKDDNOBSDSK-UHFFFAOYSA-N 1 2 322.412 4.171 20 30 DIEDLO N#CC1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCCCC1 ZINC000595092079 1050611832 /nfs/dbraw/zinc/61/18/32/1050611832.db2.gz WDVXIJQQIAMANX-INIZCTEOSA-N 1 2 300.450 4.095 20 30 DIEDLO N#CC1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCCCC1 ZINC000595092080 1050611981 /nfs/dbraw/zinc/61/19/81/1050611981.db2.gz WDVXIJQQIAMANX-MRXNPFEDSA-N 1 2 300.450 4.095 20 30 DIEDLO C=CCC[N@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144665672 1050645171 /nfs/dbraw/zinc/64/51/71/1050645171.db2.gz CPCQCSKMLMUGKO-UHFFFAOYSA-N 1 2 303.352 4.249 20 30 DIEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144665672 1050645182 /nfs/dbraw/zinc/64/51/82/1050645182.db2.gz CPCQCSKMLMUGKO-UHFFFAOYSA-N 1 2 303.352 4.249 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000595623110 1050652331 /nfs/dbraw/zinc/65/23/31/1050652331.db2.gz HTMPFFNGRKFUJO-AWEZNQCLSA-N 1 2 303.475 4.316 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000595623110 1050652340 /nfs/dbraw/zinc/65/23/40/1050652340.db2.gz HTMPFFNGRKFUJO-AWEZNQCLSA-N 1 2 303.475 4.316 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000595623080 1050653526 /nfs/dbraw/zinc/65/35/26/1050653526.db2.gz GNFMYIBTHZLXEG-CYBMUJFWSA-N 1 2 315.804 4.121 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000595623080 1050653538 /nfs/dbraw/zinc/65/35/38/1050653538.db2.gz GNFMYIBTHZLXEG-CYBMUJFWSA-N 1 2 315.804 4.121 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000595609464 1050658672 /nfs/dbraw/zinc/65/86/72/1050658672.db2.gz KGZVIDJXBPHCST-NSHDSACASA-N 1 2 314.763 4.067 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000595609464 1050658677 /nfs/dbraw/zinc/65/86/77/1050658677.db2.gz KGZVIDJXBPHCST-NSHDSACASA-N 1 2 314.763 4.067 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000595611586 1050658778 /nfs/dbraw/zinc/65/87/78/1050658778.db2.gz LNUNLXKTFRZXRH-CQSZACIVSA-N 1 2 303.475 4.316 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000595611586 1050658786 /nfs/dbraw/zinc/65/87/86/1050658786.db2.gz LNUNLXKTFRZXRH-CQSZACIVSA-N 1 2 303.475 4.316 20 30 DIEDLO Cc1[nH+]cc(C2CC2)cc1Nc1nc(C(F)(F)F)ccc1C#N ZINC001213495229 1050670180 /nfs/dbraw/zinc/67/01/80/1050670180.db2.gz XBGIEXBVAFNPAD-UHFFFAOYSA-N 1 2 318.302 4.297 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000595841453 1050671315 /nfs/dbraw/zinc/67/13/15/1050671315.db2.gz WVWQQGCWPVHICN-HXUWFJFHSA-N 1 2 306.409 4.001 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000595841453 1050671317 /nfs/dbraw/zinc/67/13/17/1050671317.db2.gz WVWQQGCWPVHICN-HXUWFJFHSA-N 1 2 306.409 4.001 20 30 DIEDLO Cc1cc(C)c(Nc2ccc(C#N)cc2OC(F)(F)F)c[nH+]1 ZINC001213513462 1050677618 /nfs/dbraw/zinc/67/76/18/1050677618.db2.gz LVGJHUSNDGKJKM-UHFFFAOYSA-N 1 2 307.275 4.212 20 30 DIEDLO Cc1c[nH+]cc(Nc2cc(F)c(Br)cc2C#N)c1C ZINC001213536449 1050682259 /nfs/dbraw/zinc/68/22/59/1050682259.db2.gz KCJQHHASLRVVMD-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc4c(c3)CCCC4)c[nH+]c12 ZINC000741472331 1050684601 /nfs/dbraw/zinc/68/46/01/1050684601.db2.gz VPJNAUJWKXHLLV-ZHACJKMWSA-N 1 2 316.404 4.418 20 30 DIEDLO CCCOc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000741471244 1050684990 /nfs/dbraw/zinc/68/49/90/1050684990.db2.gz KJSDOTUONDNNHR-FLIBITNWSA-N 1 2 320.392 4.328 20 30 DIEDLO C[C@@H](CCc1cccn1C)/[NH+]=C/c1c(O)ccc2ccccc12 ZINC000741842098 1050751451 /nfs/dbraw/zinc/75/14/51/1050751451.db2.gz DZVZHPFLTACMHP-HBBMIWKISA-N 1 2 306.409 4.324 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000597178435 1050820138 /nfs/dbraw/zinc/82/01/38/1050820138.db2.gz WXOFHXRTBDSINY-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000597178435 1050820151 /nfs/dbraw/zinc/82/01/51/1050820151.db2.gz WXOFHXRTBDSINY-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231403 1050825869 /nfs/dbraw/zinc/82/58/69/1050825869.db2.gz NKJZHBQGLDWWGV-FQEVSTJZSA-N 1 2 306.409 4.098 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231403 1050825876 /nfs/dbraw/zinc/82/58/76/1050825876.db2.gz NKJZHBQGLDWWGV-FQEVSTJZSA-N 1 2 306.409 4.098 20 30 DIEDLO CC(C)c1cc(NCc2ccc(OCC#N)cc2)nc(C(C)C)[nH+]1 ZINC000761218718 1050830132 /nfs/dbraw/zinc/83/01/32/1050830132.db2.gz LBDDFWBEGDQIPN-UHFFFAOYSA-N 1 2 324.428 4.238 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1ccc2[nH+]cn(C)c2c1 ZINC001171373615 1051033777 /nfs/dbraw/zinc/03/37/77/1051033777.db2.gz KAEOQALGDOUTHJ-AWEZNQCLSA-N 1 2 307.397 4.311 20 30 DIEDLO C[C@@H](Cc1ccccc1Cl)[N@H+](CCC#N)Cc1cccnc1 ZINC001170264992 1051167775 /nfs/dbraw/zinc/16/77/75/1051167775.db2.gz CMFNJOUPPTZOBE-HNNXBMFYSA-N 1 2 313.832 4.082 20 30 DIEDLO C[C@@H](Cc1ccccc1Cl)[N@@H+](CCC#N)Cc1cccnc1 ZINC001170264992 1051167779 /nfs/dbraw/zinc/16/77/79/1051167779.db2.gz CMFNJOUPPTZOBE-HNNXBMFYSA-N 1 2 313.832 4.082 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(Cl)ccc1OCC#N ZINC000744405942 1051172656 /nfs/dbraw/zinc/17/26/56/1051172656.db2.gz ZMDMRCSVYUKLSO-UHFFFAOYSA-N 1 2 319.836 4.004 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(Cl)ccc1OCC#N ZINC000744405942 1051172662 /nfs/dbraw/zinc/17/26/62/1051172662.db2.gz ZMDMRCSVYUKLSO-UHFFFAOYSA-N 1 2 319.836 4.004 20 30 DIEDLO CC[C@H](C#N)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171648446 1051182063 /nfs/dbraw/zinc/18/20/63/1051182063.db2.gz RXZQLSIYTABCMG-OGVSOVDVSA-N 1 2 321.262 4.367 20 30 DIEDLO C[C@@H](C#N)[N@H+](C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171653524 1051183396 /nfs/dbraw/zinc/18/33/96/1051183396.db2.gz HOSVYIFEBSEGHS-YGONEPDPSA-N 1 2 321.262 4.319 20 30 DIEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171653524 1051183399 /nfs/dbraw/zinc/18/33/99/1051183399.db2.gz HOSVYIFEBSEGHS-YGONEPDPSA-N 1 2 321.262 4.319 20 30 DIEDLO CC(C)(C#N)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171644513 1051197657 /nfs/dbraw/zinc/19/76/57/1051197657.db2.gz CIQFCCPLUKQOMU-UHFFFAOYSA-N 1 2 321.262 4.367 20 30 DIEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000746457984 1051423466 /nfs/dbraw/zinc/42/34/66/1051423466.db2.gz YBWJJSNOSHXGAH-UHFFFAOYSA-N 1 2 324.371 4.284 20 30 DIEDLO C#CC[N@H+](CC)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000746457984 1051423470 /nfs/dbraw/zinc/42/34/70/1051423470.db2.gz YBWJJSNOSHXGAH-UHFFFAOYSA-N 1 2 324.371 4.284 20 30 DIEDLO CC(C)[C@H]1c2ccccc2C(=O)/C1=C\c1cccc2[nH+]ccn21 ZINC000766507692 1051449819 /nfs/dbraw/zinc/44/98/19/1051449819.db2.gz WLMJIOVIATYKQE-GTVARFKMSA-N 1 2 302.377 4.354 20 30 DIEDLO CCc1cc(C#N)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212696723 1051582309 /nfs/dbraw/zinc/58/23/09/1051582309.db2.gz HSAJUILPEGAZRV-UHFFFAOYSA-N 1 2 302.381 4.109 20 30 DIEDLO N#Cc1c(Cl)cccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697943 1051586903 /nfs/dbraw/zinc/58/69/03/1051586903.db2.gz CWWVXNBOVPGMCT-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1NCc1c2c(c(C)[nH]c1=O)CCCC2 ZINC001169399967 1051607936 /nfs/dbraw/zinc/60/79/36/1051607936.db2.gz YUFANAQCYTUQJX-UHFFFAOYSA-N 1 2 323.440 4.018 20 30 DIEDLO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804336443 1051684283 /nfs/dbraw/zinc/68/42/83/1051684283.db2.gz MXUGHIHXZRORRT-DLBZAZTESA-N 1 2 319.493 4.091 20 30 DIEDLO Cc1[nH+]c(C(C)(C)C)nc(NC23CCC(C#N)(CC2)CC3)c1C ZINC001169747992 1051686328 /nfs/dbraw/zinc/68/63/28/1051686328.db2.gz JQWWPQSBESRDKG-UHFFFAOYSA-N 1 2 312.461 4.419 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494124841 1051691417 /nfs/dbraw/zinc/69/14/17/1051691417.db2.gz JJRIALIOQQSMQO-UHFFFAOYSA-N 1 2 315.848 4.440 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494124841 1051691423 /nfs/dbraw/zinc/69/14/23/1051691423.db2.gz JJRIALIOQQSMQO-UHFFFAOYSA-N 1 2 315.848 4.440 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccccc1 ZINC000766853269 1051709883 /nfs/dbraw/zinc/70/98/83/1051709883.db2.gz QTANVYPTWPKUGI-AWEZNQCLSA-N 1 2 305.208 4.243 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(Cl)c1O ZINC000806131872 1051732239 /nfs/dbraw/zinc/73/22/39/1051732239.db2.gz ODOJVNITSKCZAB-MRXNPFEDSA-N 1 2 300.789 4.158 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(Cl)c1O ZINC000806131870 1051733555 /nfs/dbraw/zinc/73/35/55/1051733555.db2.gz ODOJVNITSKCZAB-INIZCTEOSA-N 1 2 300.789 4.158 20 30 DIEDLO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(Cl)c1O ZINC000806164455 1051766772 /nfs/dbraw/zinc/76/67/72/1051766772.db2.gz UHARQZXODCBSAO-SEEARECTSA-N 1 2 306.837 4.416 20 30 DIEDLO C=C(Br)C[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000768775859 1051965400 /nfs/dbraw/zinc/96/54/00/1051965400.db2.gz CNAUDAHWHQBRKN-UHFFFAOYSA-N 1 2 322.246 4.083 20 30 DIEDLO C=C(Br)C[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000768775859 1051965411 /nfs/dbraw/zinc/96/54/11/1051965411.db2.gz CNAUDAHWHQBRKN-UHFFFAOYSA-N 1 2 322.246 4.083 20 30 DIEDLO C=CCn1c(C)nn(C[NH+]2CCC(C)(CC(C)C)CC2)c1=S ZINC000808231810 1051990877 /nfs/dbraw/zinc/99/08/77/1051990877.db2.gz OHANGQHQGSOONE-UHFFFAOYSA-N 1 2 322.522 4.014 20 30 DIEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC#Cc1ccccc1 ZINC000192080334 1051997773 /nfs/dbraw/zinc/99/77/73/1051997773.db2.gz JDOTZRJQSDUDIC-HNNXBMFYSA-N 1 2 306.434 4.341 20 30 DIEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192080334 1051997779 /nfs/dbraw/zinc/99/77/79/1051997779.db2.gz JDOTZRJQSDUDIC-HNNXBMFYSA-N 1 2 306.434 4.341 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(CSC(F)F)o1 ZINC000769335576 1052026661 /nfs/dbraw/zinc/02/66/61/1052026661.db2.gz MVIPJXZPHYFKJG-UHFFFAOYSA-N 1 2 316.417 4.497 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(CSC(F)F)o1 ZINC000769335576 1052026669 /nfs/dbraw/zinc/02/66/69/1052026669.db2.gz MVIPJXZPHYFKJG-UHFFFAOYSA-N 1 2 316.417 4.497 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000769330794 1052026697 /nfs/dbraw/zinc/02/66/97/1052026697.db2.gz DTVGUDQZPUNMLJ-HNNXBMFYSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000769330794 1052026704 /nfs/dbraw/zinc/02/67/04/1052026704.db2.gz DTVGUDQZPUNMLJ-HNNXBMFYSA-N 1 2 312.388 4.139 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000769427031 1052044717 /nfs/dbraw/zinc/04/47/17/1052044717.db2.gz FMWYXFPKQFYKQR-INIZCTEOSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000769427031 1052044726 /nfs/dbraw/zinc/04/47/26/1052044726.db2.gz FMWYXFPKQFYKQR-INIZCTEOSA-N 1 2 304.365 4.235 20 30 DIEDLO CC(=[NH+]Nc1cc(F)c(F)c(F)c1)c1ccccc1N(C)C ZINC000769584591 1052085798 /nfs/dbraw/zinc/08/57/98/1052085798.db2.gz IBUHIUQOYXEMSC-UHFFFAOYSA-N 1 2 307.319 4.006 20 30 DIEDLO O=C1c2cc(Cl)ccc2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000769615880 1052089152 /nfs/dbraw/zinc/08/91/52/1052089152.db2.gz SSKSPKPNJWNADX-RAXLEYEMSA-N 1 2 308.768 4.200 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc2c(s1)CCCC2 ZINC000769613706 1052089827 /nfs/dbraw/zinc/08/98/27/1052089827.db2.gz BDXXPTWYKLHIOB-CMDGGOBGSA-N 1 2 308.406 4.171 20 30 DIEDLO Nc1ccccc1C(NO)=[NH+]c1cccc(Oc2ccccc2)c1 ZINC001174314836 1052095533 /nfs/dbraw/zinc/09/55/33/1052095533.db2.gz HTEYHPXEVVIBAG-UHFFFAOYSA-N 1 2 319.364 4.118 20 30 DIEDLO Cc1cccc(F)c1N=NC(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000769842063 1052118945 /nfs/dbraw/zinc/11/89/45/1052118945.db2.gz YKEFAPRQAMUEMY-UHFFFAOYSA-N 1 2 308.360 4.156 20 30 DIEDLO CC(=O)c1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c(C#N)c1 ZINC001174383660 1052142478 /nfs/dbraw/zinc/14/24/78/1052142478.db2.gz QUOHPTNDXXCZIV-UHFFFAOYSA-N 1 2 318.380 4.435 20 30 DIEDLO C=CC[C@H](C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)c1ccccc1 ZINC000494892506 1052160133 /nfs/dbraw/zinc/16/01/33/1052160133.db2.gz SWIJUIXOZYFQSB-INIZCTEOSA-N 1 2 305.381 4.170 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1N[C@H](c1ccccn1)C(F)(F)F ZINC001168482083 1052266386 /nfs/dbraw/zinc/26/63/86/1052266386.db2.gz STGPPZFOQIUGBH-CQSZACIVSA-N 1 2 307.319 4.229 20 30 DIEDLO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(Br)cc1C#N ZINC000311147085 1052277264 /nfs/dbraw/zinc/27/72/64/1052277264.db2.gz MIHRADOPIVIAGV-RYUDHWBXSA-N 1 2 307.235 4.084 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3\Cc4ccc(Cl)cc4C3=O)n21 ZINC000762445931 1052383427 /nfs/dbraw/zinc/38/34/27/1052383427.db2.gz BGEBKLJJZNSKCD-MDWZMJQESA-N 1 2 308.768 4.119 20 30 DIEDLO CC(C)c1[nH+]c(/C=C\C(=O)c2ccc(O)c(F)c2)c2ccccn21 ZINC000762605756 1052406983 /nfs/dbraw/zinc/40/69/83/1052406983.db2.gz YUWGYZYMWMWFKK-CLFYSBASSA-N 1 2 324.355 4.199 20 30 DIEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1c(C)cc(C#N)cc1C ZINC001222672970 1052525286 /nfs/dbraw/zinc/52/52/86/1052525286.db2.gz VXOMZWGJAHZJLL-UHFFFAOYSA-N 1 2 303.365 4.036 20 30 DIEDLO N#Cc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)s2)cc1 ZINC000915961293 1052575456 /nfs/dbraw/zinc/57/54/56/1052575456.db2.gz DVLQANWNFQJPQR-UHFFFAOYSA-N 1 2 310.426 4.056 20 30 DIEDLO CN(C)c1ccc(C=[NH+]Nc2ccccc2C(F)(F)F)s1 ZINC000916259873 1052597819 /nfs/dbraw/zinc/59/78/19/1052597819.db2.gz OVTMXZFCTZZIAA-UHFFFAOYSA-N 1 2 313.348 4.279 20 30 DIEDLO C=CC[NH+](CC=C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000125729319 1052652610 /nfs/dbraw/zinc/65/26/10/1052652610.db2.gz LQDQFTDJDCAVJG-UHFFFAOYSA-N 1 2 302.805 4.477 20 30 DIEDLO CCC[C@H](C#Cc1ccccc1)OCCCCC(=[NH2+])OCC ZINC001224967450 1052738639 /nfs/dbraw/zinc/73/86/39/1052738639.db2.gz VOVRYGQFEAYKOV-GOSISDBHSA-N 1 2 301.430 4.407 20 30 DIEDLO CC(C)(C)c1cnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000556410710 1052848975 /nfs/dbraw/zinc/84/89/75/1052848975.db2.gz PNPFSYVCGVBSHQ-UHFFFAOYSA-N 1 2 311.454 4.091 20 30 DIEDLO COc1cccc(/C=[NH+]\CCCSc2ccccc2)c1O ZINC000920944195 1052955773 /nfs/dbraw/zinc/95/57/73/1052955773.db2.gz JDSZZSCZJIIFED-AQTBWJFISA-N 1 2 301.411 4.002 20 30 DIEDLO CCOc1ccc(/C=[NH+]\CCCn2ccc3ccccc32)c(O)c1 ZINC000920944219 1052955998 /nfs/dbraw/zinc/95/59/98/1052955998.db2.gz JPDIVOBLEGAYNG-QNGOZBTKSA-N 1 2 322.408 4.255 20 30 DIEDLO N#CC1(c2ccc(Nc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC001212253339 1052966239 /nfs/dbraw/zinc/96/62/39/1052966239.db2.gz IAZDKGXLGNJYGN-UHFFFAOYSA-N 1 2 300.365 4.171 20 30 DIEDLO C[N@H+](Cc1cc2ccccc2o1)Cc1cn2ccccc2c1C#N ZINC000195676222 1053007571 /nfs/dbraw/zinc/00/75/71/1053007571.db2.gz GZEDGDDYDIETKW-UHFFFAOYSA-N 1 2 315.376 4.189 20 30 DIEDLO C[N@@H+](Cc1cc2ccccc2o1)Cc1cn2ccccc2c1C#N ZINC000195676222 1053007573 /nfs/dbraw/zinc/00/75/73/1053007573.db2.gz GZEDGDDYDIETKW-UHFFFAOYSA-N 1 2 315.376 4.189 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000616790979 1053074862 /nfs/dbraw/zinc/07/48/62/1053074862.db2.gz YHXXGZBLBCHQFW-UHFFFAOYSA-N 1 2 312.363 4.310 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000616790979 1053074866 /nfs/dbraw/zinc/07/48/66/1053074866.db2.gz YHXXGZBLBCHQFW-UHFFFAOYSA-N 1 2 312.363 4.310 20 30 DIEDLO Fc1cccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)c1F ZINC001318899729 1053202841 /nfs/dbraw/zinc/20/28/41/1053202841.db2.gz KDGRAXBQHGSWTM-UHFFFAOYSA-N 1 2 301.340 4.011 20 30 DIEDLO C=CC1(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC001352046035 1053265816 /nfs/dbraw/zinc/26/58/16/1053265816.db2.gz GQNNIRZDPFEKOS-UHFFFAOYSA-N 1 2 309.413 4.337 20 30 DIEDLO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)cc1F ZINC000181652475 1053271498 /nfs/dbraw/zinc/27/14/98/1053271498.db2.gz PXEXGPCIFQSMOP-GOSISDBHSA-N 1 2 318.342 4.462 20 30 DIEDLO N#CCC[N@@H+](CCCc1ccccc1Cl)Cc1ccccn1 ZINC000181958604 1053316021 /nfs/dbraw/zinc/31/60/21/1053316021.db2.gz RMYCOJDGAFPRIW-UHFFFAOYSA-N 1 2 313.832 4.083 20 30 DIEDLO N#CCC[N@H+](CCCc1ccccc1Cl)Cc1ccccn1 ZINC000181958604 1053316026 /nfs/dbraw/zinc/31/60/26/1053316026.db2.gz RMYCOJDGAFPRIW-UHFFFAOYSA-N 1 2 313.832 4.083 20 30 DIEDLO COc1cccc2c(N[C@H]3CCc4cc(C#N)ccc43)cc[nH+]c12 ZINC000618693826 1053352414 /nfs/dbraw/zinc/35/24/14/1053352414.db2.gz QDSOZQNGSSCITD-KRWDZBQOSA-N 1 2 315.376 4.214 20 30 DIEDLO Cc1cc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)ccc1C#N ZINC000488302448 1053362797 /nfs/dbraw/zinc/36/27/97/1053362797.db2.gz VPCVPNAKWCSTJK-OAHLLOKOSA-N 1 2 317.392 4.373 20 30 DIEDLO C=CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC001434934868 1053391527 /nfs/dbraw/zinc/39/15/27/1053391527.db2.gz ZBPPCVCOKPQHPE-UHFFFAOYSA-N 1 2 323.440 4.015 20 30 DIEDLO CSc1ccccc1C(=O)/C=C\c1c[nH+]c2c(C)cccn12 ZINC001321218463 1053401942 /nfs/dbraw/zinc/40/19/42/1053401942.db2.gz QLTZUZGRADMQQU-KTKRTIGZSA-N 1 2 308.406 4.261 20 30 DIEDLO Cc1cc(C#N)ccc1CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC001321837990 1053436282 /nfs/dbraw/zinc/43/62/82/1053436282.db2.gz ISTHGHSXFPSUSG-UHFFFAOYSA-N 1 2 319.433 4.486 20 30 DIEDLO COc1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1F ZINC000619725145 1053541783 /nfs/dbraw/zinc/54/17/83/1053541783.db2.gz CBRRQYGWPRKDAC-MSOLQXFVSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1F ZINC000619725145 1053541795 /nfs/dbraw/zinc/54/17/95/1053541795.db2.gz CBRRQYGWPRKDAC-MSOLQXFVSA-N 1 2 324.399 4.106 20 30 DIEDLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C#N)cc1 ZINC000182909324 1053543607 /nfs/dbraw/zinc/54/36/07/1053543607.db2.gz JWHXZTWDUFHOTH-CYBMUJFWSA-N 1 2 306.344 4.056 20 30 DIEDLO COc1cccc2c(NCc3ccc(C#N)c(Cl)c3)cc[nH+]c12 ZINC000619746791 1053554174 /nfs/dbraw/zinc/55/41/74/1053554174.db2.gz OLQJCAOZSSNPCF-UHFFFAOYSA-N 1 2 323.783 4.381 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 ZINC001323089417 1053564770 /nfs/dbraw/zinc/56/47/70/1053564770.db2.gz XGJMFFGYVVCLEP-YFHOEESVSA-N 1 2 320.314 4.063 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc2ccccc2c1 ZINC001323545713 1053589536 /nfs/dbraw/zinc/58/95/36/1053589536.db2.gz PQWWIDFNWVYWKB-VAWYXSNFSA-N 1 2 302.377 4.197 20 30 DIEDLO COc1c(C)c[nH+]c(CSCc2ccc(CC#N)cc2)c1C ZINC001326046987 1053747961 /nfs/dbraw/zinc/74/79/61/1053747961.db2.gz OVJBGPRBYPAXRU-UHFFFAOYSA-N 1 2 312.438 4.207 20 30 DIEDLO C=CCOc1cccc(C[N@H+]2CCc3ccc(C(C)=O)cc3C2)c1 ZINC001231624247 1053807240 /nfs/dbraw/zinc/80/72/40/1053807240.db2.gz KNUCBCRAEJSMBE-UHFFFAOYSA-N 1 2 321.420 4.012 20 30 DIEDLO C=CCOc1cccc(C[N@@H+]2CCc3ccc(C(C)=O)cc3C2)c1 ZINC001231624247 1053807249 /nfs/dbraw/zinc/80/72/49/1053807249.db2.gz KNUCBCRAEJSMBE-UHFFFAOYSA-N 1 2 321.420 4.012 20 30 DIEDLO CN(C)c1cc(CSCCC2(C#N)CCCCC2)cc[nH+]1 ZINC001327518530 1053862418 /nfs/dbraw/zinc/86/24/18/1053862418.db2.gz DNLASMRKBVDUMM-UHFFFAOYSA-N 1 2 303.475 4.245 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001231855667 1053889571 /nfs/dbraw/zinc/88/95/71/1053889571.db2.gz AKQFMJXWWUXSJP-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001231855667 1053889584 /nfs/dbraw/zinc/88/95/84/1053889584.db2.gz AKQFMJXWWUXSJP-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001231850429 1053891170 /nfs/dbraw/zinc/89/11/70/1053891170.db2.gz MGGKVSRDSBNCKT-LJQANCHMSA-N 1 2 320.436 4.310 20 30 DIEDLO Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001231850429 1053891184 /nfs/dbraw/zinc/89/11/84/1053891184.db2.gz MGGKVSRDSBNCKT-LJQANCHMSA-N 1 2 320.436 4.310 20 30 DIEDLO C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1F)C1CC(F)(F)C1 ZINC001231857085 1053892045 /nfs/dbraw/zinc/89/20/45/1053892045.db2.gz VNGKOKVPZKNRTF-UHFFFAOYSA-N 1 2 315.232 4.213 20 30 DIEDLO C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1F)C1CC(F)(F)C1 ZINC001231857085 1053892056 /nfs/dbraw/zinc/89/20/56/1053892056.db2.gz VNGKOKVPZKNRTF-UHFFFAOYSA-N 1 2 315.232 4.213 20 30 DIEDLO Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001232375844 1054033661 /nfs/dbraw/zinc/03/36/61/1054033661.db2.gz HGXAYJQWSFXBAG-NRFANRHFSA-N 1 2 320.436 4.310 20 30 DIEDLO Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001232375844 1054033671 /nfs/dbraw/zinc/03/36/71/1054033671.db2.gz HGXAYJQWSFXBAG-NRFANRHFSA-N 1 2 320.436 4.310 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001232679492 1054097173 /nfs/dbraw/zinc/09/71/73/1054097173.db2.gz NAVCFFAVINJFET-KRWDZBQOSA-N 1 2 312.800 4.254 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001232679492 1054097185 /nfs/dbraw/zinc/09/71/85/1054097185.db2.gz NAVCFFAVINJFET-KRWDZBQOSA-N 1 2 312.800 4.254 20 30 DIEDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cc(C#N)ccc1O ZINC001232681189 1054098150 /nfs/dbraw/zinc/09/81/50/1054098150.db2.gz LUXZVSLPMXTHEW-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cc(C#N)ccc1O ZINC001232681189 1054098159 /nfs/dbraw/zinc/09/81/59/1054098159.db2.gz LUXZVSLPMXTHEW-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001232678475 1054099298 /nfs/dbraw/zinc/09/92/98/1054099298.db2.gz HCBYLPVKFSADKF-GOSISDBHSA-N 1 2 306.409 4.034 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001232678475 1054099309 /nfs/dbraw/zinc/09/93/09/1054099309.db2.gz HCBYLPVKFSADKF-GOSISDBHSA-N 1 2 306.409 4.034 20 30 DIEDLO CCc1nc([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cs1 ZINC000184707083 1054129662 /nfs/dbraw/zinc/12/96/62/1054129662.db2.gz MAQFQBANVRPWBB-LBPRGKRZSA-N 1 2 304.846 4.061 20 30 DIEDLO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001232845135 1054130544 /nfs/dbraw/zinc/13/05/44/1054130544.db2.gz PBEWDNWQXBKLQP-QGZVFWFLSA-N 1 2 312.438 4.103 20 30 DIEDLO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001232845135 1054130550 /nfs/dbraw/zinc/13/05/50/1054130550.db2.gz PBEWDNWQXBKLQP-QGZVFWFLSA-N 1 2 312.438 4.103 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2c2ccc(F)cc2)s1 ZINC001232845677 1054130981 /nfs/dbraw/zinc/13/09/81/1054130981.db2.gz JHCXWIMSPOUHMM-MRXNPFEDSA-N 1 2 318.442 4.049 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)s1 ZINC001232845677 1054130983 /nfs/dbraw/zinc/13/09/83/1054130983.db2.gz JHCXWIMSPOUHMM-MRXNPFEDSA-N 1 2 318.442 4.049 20 30 DIEDLO CC(=[NH+]Nc1ccnc(C(F)(F)F)c1)c1c(C)cc(N)cc1C ZINC001333200723 1054145634 /nfs/dbraw/zinc/14/56/34/1054145634.db2.gz UCYDMVJBSLDXGA-UHFFFAOYSA-N 1 2 322.334 4.136 20 30 DIEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)c(C#N)c1 ZINC001232966085 1054158724 /nfs/dbraw/zinc/15/87/24/1054158724.db2.gz GCXDSDDQPKLNKP-LJQANCHMSA-N 1 2 312.363 4.482 20 30 DIEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)c(C#N)c1 ZINC001232966085 1054158735 /nfs/dbraw/zinc/15/87/35/1054158735.db2.gz GCXDSDDQPKLNKP-LJQANCHMSA-N 1 2 312.363 4.482 20 30 DIEDLO CC[N@H+](Cc1ccc(C#N)cc1O)Cc1c(F)cccc1Cl ZINC001233387490 1054256593 /nfs/dbraw/zinc/25/65/93/1054256593.db2.gz LDIHBXPTVWZQCZ-UHFFFAOYSA-N 1 2 318.779 4.078 20 30 DIEDLO CC[N@@H+](Cc1ccc(C#N)cc1O)Cc1c(F)cccc1Cl ZINC001233387490 1054256599 /nfs/dbraw/zinc/25/65/99/1054256599.db2.gz LDIHBXPTVWZQCZ-UHFFFAOYSA-N 1 2 318.779 4.078 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1snnc1C)c1ccc(F)c(F)c1 ZINC001341139538 1054378866 /nfs/dbraw/zinc/37/88/66/1054378866.db2.gz UDSMFAGSPXEBPN-LKFCYVNXSA-N 1 2 309.385 4.093 20 30 DIEDLO CSc1ccccc1C(=O)/C=C/c1c[nH+]c2ccc(C)cn12 ZINC001344573409 1054474528 /nfs/dbraw/zinc/47/45/28/1054474528.db2.gz BLIHIPGITUDWKG-CMDGGOBGSA-N 1 2 308.406 4.261 20 30 DIEDLO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccc(C(=[NH2+])OCC)cc2)O1 ZINC001234587611 1054551411 /nfs/dbraw/zinc/55/14/11/1054551411.db2.gz CHJCTDLIBKZOJY-APWZRJJASA-N 1 2 317.429 4.330 20 30 DIEDLO CCOC(=[NH2+])c1ccc(O[C@@H](C#Cc2ccccc2)CC)cc1 ZINC001234589848 1054553664 /nfs/dbraw/zinc/55/36/64/1054553664.db2.gz NPOZPTHAODMXAQ-GOSISDBHSA-N 1 2 307.393 4.258 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000178755989 1054655983 /nfs/dbraw/zinc/65/59/83/1054655983.db2.gz BLTSRMXUEHGFOJ-IBGZPJMESA-N 1 2 316.408 4.211 20 30 DIEDLO C=CCC[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccccc1 ZINC000180044825 1054729952 /nfs/dbraw/zinc/72/99/52/1054729952.db2.gz INJLIIOZKZTSTN-LJQANCHMSA-N 1 2 318.424 4.064 20 30 DIEDLO N#Cc1ccc(CC[NH2+][C@H](c2cccc(Cl)c2)C(F)F)cc1 ZINC001473745491 1054757930 /nfs/dbraw/zinc/75/79/30/1054757930.db2.gz RFLBYOMDWAGGSR-MRXNPFEDSA-N 1 2 320.770 4.350 20 30 DIEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC001235651926 1054759346 /nfs/dbraw/zinc/75/93/46/1054759346.db2.gz RXPRYUPKZGHWHK-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC001235651926 1054759363 /nfs/dbraw/zinc/75/93/63/1054759363.db2.gz RXPRYUPKZGHWHK-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(F)c1 ZINC001235651930 1054761247 /nfs/dbraw/zinc/76/12/47/1054761247.db2.gz RXPRYUPKZGHWHK-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(F)c1 ZINC001235651930 1054761249 /nfs/dbraw/zinc/76/12/49/1054761249.db2.gz RXPRYUPKZGHWHK-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO C[N@H+](Cc1cccc2cccnc21)Cc1c(F)cc(C#N)cc1F ZINC001235658136 1054761558 /nfs/dbraw/zinc/76/15/58/1054761558.db2.gz HIUIOYPUBGPSTQ-UHFFFAOYSA-N 1 2 323.346 4.017 20 30 DIEDLO C[N@@H+](Cc1cccc2cccnc21)Cc1c(F)cc(C#N)cc1F ZINC001235658136 1054761569 /nfs/dbraw/zinc/76/15/69/1054761569.db2.gz HIUIOYPUBGPSTQ-UHFFFAOYSA-N 1 2 323.346 4.017 20 30 DIEDLO CC[N@H+](Cc1ccc(C)cc1)Cc1c(F)cc(C#N)cc1F ZINC001235660051 1054764132 /nfs/dbraw/zinc/76/41/32/1054764132.db2.gz CUUWVSUYEJVQQJ-UHFFFAOYSA-N 1 2 300.352 4.167 20 30 DIEDLO CC[N@@H+](Cc1ccc(C)cc1)Cc1c(F)cc(C#N)cc1F ZINC001235660051 1054764146 /nfs/dbraw/zinc/76/41/46/1054764146.db2.gz CUUWVSUYEJVQQJ-UHFFFAOYSA-N 1 2 300.352 4.167 20 30 DIEDLO C=CCC[N@@H+](Cc1nc2ccc(F)cc2[nH]1)Cc1ccccc1 ZINC001235698542 1054783129 /nfs/dbraw/zinc/78/31/29/1054783129.db2.gz WDDBUEBDAGJJKY-UHFFFAOYSA-N 1 2 309.388 4.280 20 30 DIEDLO C=CCC[N@H+](Cc1nc2ccc(F)cc2[nH]1)Cc1ccccc1 ZINC001235698542 1054783147 /nfs/dbraw/zinc/78/31/47/1054783147.db2.gz WDDBUEBDAGJJKY-UHFFFAOYSA-N 1 2 309.388 4.280 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(F)c(Cl)c1 ZINC001236664332 1055217975 /nfs/dbraw/zinc/21/79/75/1055217975.db2.gz ZYUNZCIUHQWXCR-WLLOZRIZSA-N 1 2 313.203 4.399 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(F)c(Cl)c1 ZINC001236664332 1055217988 /nfs/dbraw/zinc/21/79/88/1055217988.db2.gz ZYUNZCIUHQWXCR-WLLOZRIZSA-N 1 2 313.203 4.399 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2cc1Cl ZINC001236877986 1055304479 /nfs/dbraw/zinc/30/44/79/1055304479.db2.gz SWZQRFAXDHSYHE-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2cc1Cl ZINC001236877986 1055304492 /nfs/dbraw/zinc/30/44/92/1055304492.db2.gz SWZQRFAXDHSYHE-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)CCC1CCCCC1)C(=O)OCC ZINC001621478825 1055479705 /nfs/dbraw/zinc/47/97/05/1055479705.db2.gz KRZIKZKNFOLVIY-ZBFHGGJFSA-N 1 2 315.885 4.399 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC001237708644 1055509597 /nfs/dbraw/zinc/50/95/97/1055509597.db2.gz QQCAODWJTBPUAA-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC001237708644 1055509606 /nfs/dbraw/zinc/50/96/06/1055509606.db2.gz QQCAODWJTBPUAA-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO CCCOc1cc(F)ccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001237903852 1055554390 /nfs/dbraw/zinc/55/43/90/1055554390.db2.gz QTXFCDFIIKHIGR-UHFFFAOYSA-N 1 2 324.399 4.044 20 30 DIEDLO CCCOc1cc(F)ccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001237903852 1055554404 /nfs/dbraw/zinc/55/44/04/1055554404.db2.gz QTXFCDFIIKHIGR-UHFFFAOYSA-N 1 2 324.399 4.044 20 30 DIEDLO N#CC1CC[NH+](Cc2cccc(F)c2OCc2ccccc2)CC1 ZINC001238334292 1055640950 /nfs/dbraw/zinc/64/09/50/1055640950.db2.gz XCSVYWRJLOONRE-UHFFFAOYSA-N 1 2 324.399 4.140 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cc(Cl)c(Br)cc1C ZINC001238582348 1055691294 /nfs/dbraw/zinc/69/12/94/1055691294.db2.gz MDLCFICGMUKSSK-UHFFFAOYSA-N 1 2 315.642 4.147 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)c(Br)cc1C ZINC001238582348 1055691297 /nfs/dbraw/zinc/69/12/97/1055691297.db2.gz MDLCFICGMUKSSK-UHFFFAOYSA-N 1 2 315.642 4.147 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(-c2ccncc2)ccc1OC ZINC001238604155 1055693860 /nfs/dbraw/zinc/69/38/60/1055693860.db2.gz NVRBOKGWOCLBAD-UHFFFAOYSA-N 1 2 323.440 4.273 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(-c2ccncc2)ccc1OC ZINC001238604155 1055693867 /nfs/dbraw/zinc/69/38/67/1055693867.db2.gz NVRBOKGWOCLBAD-UHFFFAOYSA-N 1 2 323.440 4.273 20 30 DIEDLO CC(C)Oc1cc(F)ccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001238694625 1055724074 /nfs/dbraw/zinc/72/40/74/1055724074.db2.gz IQKMYVIQQSCNSO-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1cc(F)ccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001238694625 1055724082 /nfs/dbraw/zinc/72/40/82/1055724082.db2.gz IQKMYVIQQSCNSO-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO Cc1cc(-c2ccc(C(F)(F)F)cc2C#N)c2[nH+]ccn2c1 ZINC001238841628 1055762005 /nfs/dbraw/zinc/76/20/05/1055762005.db2.gz CRHGCLYVPCWVQD-UHFFFAOYSA-N 1 2 301.271 4.200 20 30 DIEDLO C=CCCC[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC001597402926 1055825171 /nfs/dbraw/zinc/82/51/71/1055825171.db2.gz KYMQMTDNHLQMOY-HXUWFJFHSA-N 1 2 322.452 4.455 20 30 DIEDLO C=CCCC[C@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC001597402924 1055825277 /nfs/dbraw/zinc/82/52/77/1055825277.db2.gz KYMQMTDNHLQMOY-FQEVSTJZSA-N 1 2 322.452 4.455 20 30 DIEDLO C[N@H+](Cc1cscc1Br)Cc1cccc(C#N)c1 ZINC000347576163 1055849199 /nfs/dbraw/zinc/84/91/99/1055849199.db2.gz AMFHZDKBHOJLQT-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1cscc1Br)Cc1cccc(C#N)c1 ZINC000347576163 1055849207 /nfs/dbraw/zinc/84/92/07/1055849207.db2.gz AMFHZDKBHOJLQT-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO CCCCCCCCCCOC(=O)NCc1cc[nH+]c(N)c1 ZINC001239319280 1055867931 /nfs/dbraw/zinc/86/79/31/1055867931.db2.gz CKLJPPLKQVXFDR-UHFFFAOYSA-N 1 2 307.438 4.031 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(C(F)(F)F)c2)cc1C#N ZINC001239515503 1055923282 /nfs/dbraw/zinc/92/32/82/1055923282.db2.gz CVUALRIOKNQTFZ-SSDVNMTOSA-N 1 2 317.314 4.465 20 30 DIEDLO C=CC[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(OC)cc1 ZINC000054272320 1056208573 /nfs/dbraw/zinc/20/85/73/1056208573.db2.gz WMJBEAHNUNUNSB-UHFFFAOYSA-N 1 2 324.380 4.131 20 30 DIEDLO C=CC[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(OC)cc1 ZINC000054272320 1056208592 /nfs/dbraw/zinc/20/85/92/1056208592.db2.gz WMJBEAHNUNUNSB-UHFFFAOYSA-N 1 2 324.380 4.131 20 30 DIEDLO C#C[C@@H](Nc1cc(C)[nH+]c(C2CCC2)n1)c1ccc(Cl)cc1 ZINC001612454043 1056290698 /nfs/dbraw/zinc/29/06/98/1056290698.db2.gz LNSZWIGZPNIZQG-MRXNPFEDSA-N 1 2 311.816 4.492 20 30 DIEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)[C@H]1c1cccs1 ZINC000553991728 1056336596 /nfs/dbraw/zinc/33/65/96/1056336596.db2.gz UUPJIBUNTNRGRY-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1c1cccs1 ZINC000553991728 1056336609 /nfs/dbraw/zinc/33/66/09/1056336609.db2.gz UUPJIBUNTNRGRY-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO CC(C)(C)c1coc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000922190691 1056960883 /nfs/dbraw/zinc/96/08/83/1056960883.db2.gz OJOHRVVSDJMUBA-MRXNPFEDSA-N 1 2 309.413 4.011 20 30 DIEDLO CC(C)(C)c1coc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000922225263 1056982243 /nfs/dbraw/zinc/98/22/43/1056982243.db2.gz XWJKDYCSIWEEQR-UHFFFAOYSA-N 1 2 309.413 4.013 20 30 DIEDLO N#Cc1ccccc1C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092850599 1057030518 /nfs/dbraw/zinc/03/05/18/1057030518.db2.gz KSAVNXRWYGYOJR-INIZCTEOSA-N 1 2 322.305 4.481 20 30 DIEDLO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922521139 1057030623 /nfs/dbraw/zinc/03/06/23/1057030623.db2.gz GWBJTQVECIVMGX-PKOBYXMFSA-N 1 2 324.399 4.049 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC)cn1 ZINC000674389036 1057238563 /nfs/dbraw/zinc/23/85/63/1057238563.db2.gz ZEXPMBZEFVASRE-UHFFFAOYSA-N 1 2 322.861 4.383 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC)cn1 ZINC000674389036 1057238568 /nfs/dbraw/zinc/23/85/68/1057238568.db2.gz ZEXPMBZEFVASRE-UHFFFAOYSA-N 1 2 322.861 4.383 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2nc3c(s2)CCCC3)C2CC2)cc1 ZINC000611447626 1057598847 /nfs/dbraw/zinc/59/88/47/1057598847.db2.gz VABUEEUARDBSQV-UHFFFAOYSA-N 1 2 323.465 4.058 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2nc3c(s2)CCCC3)C2CC2)cc1 ZINC000611447626 1057598850 /nfs/dbraw/zinc/59/88/50/1057598850.db2.gz VABUEEUARDBSQV-UHFFFAOYSA-N 1 2 323.465 4.058 20 30 DIEDLO C[C@H]([NH2+][C@H](CCc1ccccc1)C(F)F)c1cccc(C#N)c1 ZINC000611524504 1057605293 /nfs/dbraw/zinc/60/52/93/1057605293.db2.gz MVKVFYDLHUXZRP-KBXCAEBGSA-N 1 2 314.379 4.475 20 30 DIEDLO N#CC1(c2ccc(-c3ccc(F)c(-n4cc[nH+]c4)c3)cc2)CC1 ZINC001243424512 1057679702 /nfs/dbraw/zinc/67/97/02/1057679702.db2.gz UCDZVXUURXQRSF-UHFFFAOYSA-N 1 2 303.340 4.234 20 30 DIEDLO Cc1nc(-c2ccc(C)cc2)sc1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000731158549 1057736863 /nfs/dbraw/zinc/73/68/63/1057736863.db2.gz DJJIMXVVGNDMFI-FPLPWBNLSA-N 1 2 309.394 4.046 20 30 DIEDLO N#Cc1nccc2cc(-c3ccc(Cn4cc[nH+]c4)cc3)ccc12 ZINC001243661497 1057748135 /nfs/dbraw/zinc/74/81/35/1057748135.db2.gz DURBHDALRHNDMB-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000732208845 1057769250 /nfs/dbraw/zinc/76/92/50/1057769250.db2.gz FWDCYNAYUGAASL-SIFCLUCFSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000732208845 1057769252 /nfs/dbraw/zinc/76/92/52/1057769252.db2.gz FWDCYNAYUGAASL-SIFCLUCFSA-N 1 2 324.399 4.048 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000732987503 1057795747 /nfs/dbraw/zinc/79/57/47/1057795747.db2.gz WYFZVUPQIHFEPI-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000732987503 1057795751 /nfs/dbraw/zinc/79/57/51/1057795751.db2.gz WYFZVUPQIHFEPI-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO C=CCCC[C@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC001521674203 1058939370 /nfs/dbraw/zinc/93/93/70/1058939370.db2.gz VIUSSKKVNNFFLD-KRWDZBQOSA-N 1 2 319.408 4.413 20 30 DIEDLO N#Cc1cccc(Nc2ccc([NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC001559052889 1058950870 /nfs/dbraw/zinc/95/08/70/1058950870.db2.gz JGYIKHKPZITIOH-UHFFFAOYSA-N 1 2 322.368 4.200 20 30 DIEDLO C=CC[N@H+](Cc1nsc2ccccc21)Cc1cccc(C#N)c1 ZINC001559509184 1059302273 /nfs/dbraw/zinc/30/22/73/1059302273.db2.gz WFLKFFRUVLTQKS-UHFFFAOYSA-N 1 2 319.433 4.356 20 30 DIEDLO C=CC[N@@H+](Cc1nsc2ccccc21)Cc1cccc(C#N)c1 ZINC001559509184 1059302303 /nfs/dbraw/zinc/30/23/03/1059302303.db2.gz WFLKFFRUVLTQKS-UHFFFAOYSA-N 1 2 319.433 4.356 20 30 DIEDLO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)c1ccc(C#N)cc1 ZINC001559944787 1059758732 /nfs/dbraw/zinc/75/87/32/1059758732.db2.gz AFPYLCZJGDDKHV-KXBFYZLASA-N 1 2 317.392 4.181 20 30 DIEDLO COc1c(Cl)c(Cl)ccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001248641583 1059920028 /nfs/dbraw/zinc/92/00/28/1059920028.db2.gz NAGQROIXMYDOAQ-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)c(Cl)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001248641583 1059920051 /nfs/dbraw/zinc/92/00/51/1059920051.db2.gz NAGQROIXMYDOAQ-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001560130498 1059936704 /nfs/dbraw/zinc/93/67/04/1059936704.db2.gz RJCGGKXPWXVLOQ-KRWDZBQOSA-N 1 2 322.408 4.093 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001560130498 1059936722 /nfs/dbraw/zinc/93/67/22/1059936722.db2.gz RJCGGKXPWXVLOQ-KRWDZBQOSA-N 1 2 322.408 4.093 20 30 DIEDLO C=C(Br)C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001560173147 1059966893 /nfs/dbraw/zinc/96/68/93/1059966893.db2.gz VPZLTQZYIYWAKW-UHFFFAOYSA-N 1 2 317.230 4.166 20 30 DIEDLO C=C(Br)C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001560173147 1059966911 /nfs/dbraw/zinc/96/69/11/1059966911.db2.gz VPZLTQZYIYWAKW-UHFFFAOYSA-N 1 2 317.230 4.166 20 30 DIEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC001560209840 1059987456 /nfs/dbraw/zinc/98/74/56/1059987456.db2.gz ZBMZVDSLQAXCRX-MRXNPFEDSA-N 1 2 314.816 4.291 20 30 DIEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC001560209840 1059987474 /nfs/dbraw/zinc/98/74/74/1059987474.db2.gz ZBMZVDSLQAXCRX-MRXNPFEDSA-N 1 2 314.816 4.291 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+](CCC#N)CC1CC1 ZINC001560657489 1060479819 /nfs/dbraw/zinc/47/98/19/1060479819.db2.gz OOLXZXNESXFHAZ-UHFFFAOYSA-N 1 2 320.436 4.488 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC001560657489 1060479826 /nfs/dbraw/zinc/47/98/26/1060479826.db2.gz OOLXZXNESXFHAZ-UHFFFAOYSA-N 1 2 320.436 4.488 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(-c2ccccc2C)c1 ZINC001560657622 1060480379 /nfs/dbraw/zinc/48/03/79/1060480379.db2.gz TUOSTDRASXXFIV-UHFFFAOYSA-N 1 2 324.472 4.333 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(-c2ccccc2C)c1 ZINC001560657622 1060480393 /nfs/dbraw/zinc/48/03/93/1060480393.db2.gz TUOSTDRASXXFIV-UHFFFAOYSA-N 1 2 324.472 4.333 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)nn(C(C)C)c1C ZINC001560658415 1060480503 /nfs/dbraw/zinc/48/05/03/1060480503.db2.gz WONBTDSHNRRBTG-UHFFFAOYSA-N 1 2 304.482 4.233 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)nn(C(C)C)c1C ZINC001560658415 1060480510 /nfs/dbraw/zinc/48/05/10/1060480510.db2.gz WONBTDSHNRRBTG-UHFFFAOYSA-N 1 2 304.482 4.233 20 30 DIEDLO C=CCC[C@@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)C(=O)OCC ZINC001560837547 1060695288 /nfs/dbraw/zinc/69/52/88/1060695288.db2.gz VDDDHZBXTHJHLO-BDVYOWHSSA-N 1 2 321.848 4.074 20 30 DIEDLO Cc1ccc2c(c1)[nH+]c(CCc1ccc(C#N)cc1)n2CC1CC1 ZINC001250581555 1060914334 /nfs/dbraw/zinc/91/43/34/1060914334.db2.gz FIBDITIAPMYQQE-UHFFFAOYSA-N 1 2 315.420 4.412 20 30 DIEDLO Cc1cccc2[nH+]c(CCc3cccc(C#N)c3)n(C3CC3)c21 ZINC001250581628 1060914672 /nfs/dbraw/zinc/91/46/72/1060914672.db2.gz IRYBAGZZGLVYBB-UHFFFAOYSA-N 1 2 301.393 4.337 20 30 DIEDLO N#Cc1ccc(CCc2[nH+]c3ccc(F)c(F)c3n2C2CC2)cc1 ZINC001250582485 1060918214 /nfs/dbraw/zinc/91/82/14/1060918214.db2.gz YFCNYYPABCGOCS-UHFFFAOYSA-N 1 2 323.346 4.306 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCCC(C)(C)CC1)C(=O)OCC ZINC001462500104 1061212713 /nfs/dbraw/zinc/21/27/13/1061212713.db2.gz AOVTXGXEYHVHHJ-KGLIPLIRSA-N 1 2 301.858 4.009 20 30 DIEDLO N#Cc1ccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)cc1Cl ZINC001251069138 1061213974 /nfs/dbraw/zinc/21/39/74/1061213974.db2.gz DOUXZZOYQICJJI-UHFFFAOYSA-N 1 2 322.799 4.355 20 30 DIEDLO CCCCCCCC[C@@H](C)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001456237220 1061289071 /nfs/dbraw/zinc/28/90/71/1061289071.db2.gz DUSSEXZQVBGEEP-OAHLLOKOSA-N 1 2 319.493 4.291 20 30 DIEDLO C=CCC[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC001458136276 1061592373 /nfs/dbraw/zinc/59/23/73/1061592373.db2.gz RUDCVBJBPVOXQH-GOSISDBHSA-N 1 2 319.408 4.080 20 30 DIEDLO C=C(C)CN(Cc1ccccc1)c1nc(C)[nH+]c2c1CCCC2 ZINC001458356155 1061719323 /nfs/dbraw/zinc/71/93/23/1061719323.db2.gz ODILCIBAFKGPDN-UHFFFAOYSA-N 1 2 307.441 4.247 20 30 DIEDLO CCCCCCCCCC[C@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001252980095 1061768882 /nfs/dbraw/zinc/76/88/82/1061768882.db2.gz QEBVLPZFKZXBTP-AEFFLSMTSA-N 1 2 322.493 4.439 20 30 DIEDLO C=CCC1(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CCCCC1 ZINC001465532131 1061770986 /nfs/dbraw/zinc/77/09/86/1061770986.db2.gz RPBGHHFEBHHQFL-UHFFFAOYSA-N 1 2 312.417 4.043 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1F ZINC001474411721 1062077903 /nfs/dbraw/zinc/07/79/03/1062077903.db2.gz PKPDPEDDOIJRRX-UHFFFAOYSA-N 1 2 321.417 4.093 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1F ZINC001474411721 1062077926 /nfs/dbraw/zinc/07/79/26/1062077926.db2.gz PKPDPEDDOIJRRX-UHFFFAOYSA-N 1 2 321.417 4.093 20 30 DIEDLO CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001254493027 1062134063 /nfs/dbraw/zinc/13/40/63/1062134063.db2.gz IVOAYPWGVXPQBQ-ROUUACIJSA-N 1 2 315.482 4.062 20 30 DIEDLO CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001254493027 1062134077 /nfs/dbraw/zinc/13/40/77/1062134077.db2.gz IVOAYPWGVXPQBQ-ROUUACIJSA-N 1 2 315.482 4.062 20 30 DIEDLO CCC(CC)C[N@@H+](CC#Cc1ccc(Cl)cc1)CCC#N ZINC001459606736 1062242770 /nfs/dbraw/zinc/24/27/70/1062242770.db2.gz GSUQNXSCBBSWGM-UHFFFAOYSA-N 1 2 302.849 4.343 20 30 DIEDLO CCC(CC)C[N@H+](CC#Cc1ccc(Cl)cc1)CCC#N ZINC001459606736 1062242784 /nfs/dbraw/zinc/24/27/84/1062242784.db2.gz GSUQNXSCBBSWGM-UHFFFAOYSA-N 1 2 302.849 4.343 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(O)cc(Cl)c1)c1ccc(Cl)cc1 ZINC001474556002 1062257422 /nfs/dbraw/zinc/25/74/22/1062257422.db2.gz FZOJVDUKXIQOOI-MRXNPFEDSA-N 1 2 306.192 4.163 20 30 DIEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1ccc(C#N)cc1 ZINC001255682703 1062513688 /nfs/dbraw/zinc/51/36/88/1062513688.db2.gz XHCNDMNRMIXCTJ-UHFFFAOYSA-N 1 2 319.433 4.486 20 30 DIEDLO Cc1cc(F)cc2c1C[N@H+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001460010726 1062566541 /nfs/dbraw/zinc/56/65/41/1062566541.db2.gz JMHGWYLBSXCDGE-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO Cc1cc(F)cc2c1C[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001460010726 1062566565 /nfs/dbraw/zinc/56/65/65/1062566565.db2.gz JMHGWYLBSXCDGE-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO CCCC[N@H+](CC#N)[C@H](C)CCc1ccc(Br)cc1 ZINC001256228754 1062753288 /nfs/dbraw/zinc/75/32/88/1062753288.db2.gz GYHIKGWFBVJVIR-CQSZACIVSA-N 1 2 323.278 4.396 20 30 DIEDLO CCCC[N@@H+](CC#N)[C@H](C)CCc1ccc(Br)cc1 ZINC001256228754 1062753304 /nfs/dbraw/zinc/75/33/04/1062753304.db2.gz GYHIKGWFBVJVIR-CQSZACIVSA-N 1 2 323.278 4.396 20 30 DIEDLO COc1ccc(C#N)cc1C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001460388591 1062826176 /nfs/dbraw/zinc/82/61/76/1062826176.db2.gz HRMCYSHYHWIIOW-IBGZPJMESA-N 1 2 322.408 4.277 20 30 DIEDLO COc1ccc(C#N)cc1C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001460388591 1062826202 /nfs/dbraw/zinc/82/62/02/1062826202.db2.gz HRMCYSHYHWIIOW-IBGZPJMESA-N 1 2 322.408 4.277 20 30 DIEDLO COc1ccc(C#N)cc1C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC001460388594 1062826630 /nfs/dbraw/zinc/82/66/30/1062826630.db2.gz HRMCYSHYHWIIOW-LJQANCHMSA-N 1 2 322.408 4.277 20 30 DIEDLO COc1ccc(C#N)cc1C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC001460388594 1062826657 /nfs/dbraw/zinc/82/66/57/1062826657.db2.gz HRMCYSHYHWIIOW-LJQANCHMSA-N 1 2 322.408 4.277 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256460447 1062832290 /nfs/dbraw/zinc/83/22/90/1062832290.db2.gz CXAJCPDSKGROKM-ZFWWWQNUSA-N 1 2 322.424 4.061 20 30 DIEDLO CCCC[N@H+](C)c1ccc(Nc2cc(C#N)ccc2[N+](=O)[O-])cc1 ZINC001472688954 1063153748 /nfs/dbraw/zinc/15/37/48/1063153748.db2.gz QTGCMDCSUKWSDD-UHFFFAOYSA-N 1 2 324.384 4.446 20 30 DIEDLO CCCC[N@@H+](C)c1ccc(Nc2cc(C#N)ccc2[N+](=O)[O-])cc1 ZINC001472688954 1063153768 /nfs/dbraw/zinc/15/37/68/1063153768.db2.gz QTGCMDCSUKWSDD-UHFFFAOYSA-N 1 2 324.384 4.446 20 30 DIEDLO Cc1cc(CNc2c(C#N)cnc3c(Cl)cccc32)cc(C)[nH+]1 ZINC001472809814 1063255643 /nfs/dbraw/zinc/25/56/43/1063255643.db2.gz ZHMZVTXYUKCMPM-UHFFFAOYSA-N 1 2 322.799 4.384 20 30 DIEDLO CCC(C)(C)C1CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001257408274 1063259466 /nfs/dbraw/zinc/25/94/66/1063259466.db2.gz RTGCCGAVUCLCET-UYSNPLJNSA-N 1 2 307.503 4.256 20 30 DIEDLO CCC(C)(C)C1CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001257408274 1063259485 /nfs/dbraw/zinc/25/94/85/1063259485.db2.gz RTGCCGAVUCLCET-UYSNPLJNSA-N 1 2 307.503 4.256 20 30 DIEDLO N#CCCc1ccc(Nc2nc3ccccc3n3c[nH+]cc23)cc1 ZINC001472881065 1063299247 /nfs/dbraw/zinc/29/92/47/1063299247.db2.gz HILYJLVDWRPUTJ-UHFFFAOYSA-N 1 2 313.364 4.082 20 30 DIEDLO CC(C)C[C@H](C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257826430 1063396056 /nfs/dbraw/zinc/39/60/56/1063396056.db2.gz UAMUQWRWQOQSKV-JLAWEPINSA-N 1 2 300.446 4.042 20 30 DIEDLO C=CCOc1cccc(CNc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001461331924 1063424397 /nfs/dbraw/zinc/42/43/97/1063424397.db2.gz MODOOYIQBHMUAT-UHFFFAOYSA-N 1 2 305.381 4.049 20 30 DIEDLO C=CCOc1cccc(CNc2ccc(N(CC)CC)[nH+]c2)c1 ZINC001461366455 1063447621 /nfs/dbraw/zinc/44/76/21/1063447621.db2.gz JOFMUIQGEAKFFZ-UHFFFAOYSA-N 1 2 311.429 4.105 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCSC(F)(F)F ZINC001473179816 1063485871 /nfs/dbraw/zinc/48/58/71/1063485871.db2.gz JHBVHHGCYPPFRX-UONOGXRCSA-N 1 2 314.376 4.011 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCSC(F)(F)F ZINC001473179816 1063485877 /nfs/dbraw/zinc/48/58/77/1063485877.db2.gz JHBVHHGCYPPFRX-UONOGXRCSA-N 1 2 314.376 4.011 20 30 DIEDLO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCCC[C@@H]1C#N ZINC001258314035 1063605661 /nfs/dbraw/zinc/60/56/61/1063605661.db2.gz OSKOUUPTEALPKG-LSDHHAIUSA-N 1 2 306.475 4.448 20 30 DIEDLO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCCC[C@@H]1C#N ZINC001258314035 1063605668 /nfs/dbraw/zinc/60/56/68/1063605668.db2.gz OSKOUUPTEALPKG-LSDHHAIUSA-N 1 2 306.475 4.448 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)nc2scc(C)n12 ZINC001461903051 1063788337 /nfs/dbraw/zinc/78/83/37/1063788337.db2.gz YFRVOKCLQDDFMC-UHFFFAOYSA-N 1 2 318.490 4.165 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)nc2scc(C)n12 ZINC001461903051 1063788344 /nfs/dbraw/zinc/78/83/44/1063788344.db2.gz YFRVOKCLQDDFMC-UHFFFAOYSA-N 1 2 318.490 4.165 20 30 DIEDLO Cc1cc(C[N@@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)ccc1C#N ZINC001461930388 1063818147 /nfs/dbraw/zinc/81/81/47/1063818147.db2.gz SAFSVLFJYFIZLA-ZDUSSCGKSA-N 1 2 312.363 4.264 20 30 DIEDLO Cc1cc(C[N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)ccc1C#N ZINC001461930388 1063818155 /nfs/dbraw/zinc/81/81/55/1063818155.db2.gz SAFSVLFJYFIZLA-ZDUSSCGKSA-N 1 2 312.363 4.264 20 30 DIEDLO C=CCCC[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC001280275357 1064388653 /nfs/dbraw/zinc/38/86/53/1064388653.db2.gz DCAZYNJHQNKVPJ-SFHVURJKSA-N 1 2 319.408 4.413 20 30 DIEDLO C=CC[C@H]1N(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCC1(C)C ZINC001297187209 1064972537 /nfs/dbraw/zinc/97/25/37/1064972537.db2.gz ZAPFFGMMHUSLRH-DLBZAZTESA-N 1 2 317.477 4.064 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC001307514377 1065452898 /nfs/dbraw/zinc/45/28/98/1065452898.db2.gz DFLLRQPYZPIIFX-UHFFFAOYSA-N 1 2 312.363 4.012 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC001307514377 1065452904 /nfs/dbraw/zinc/45/29/04/1065452904.db2.gz DFLLRQPYZPIIFX-UHFFFAOYSA-N 1 2 312.363 4.012 20 30 DIEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001307522934 1065461462 /nfs/dbraw/zinc/46/14/62/1065461462.db2.gz CZUQPJGRQDSSEZ-LJQANCHMSA-N 1 2 312.844 4.257 20 30 DIEDLO Cn1cccc1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC001307522934 1065461468 /nfs/dbraw/zinc/46/14/68/1065461468.db2.gz CZUQPJGRQDSSEZ-LJQANCHMSA-N 1 2 312.844 4.257 20 30 DIEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001307853732 1065654772 /nfs/dbraw/zinc/65/47/72/1065654772.db2.gz MURFDHUKHKEXTQ-CYBMUJFWSA-N 1 2 314.654 4.209 20 30 DIEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001307853732 1065654777 /nfs/dbraw/zinc/65/47/77/1065654777.db2.gz MURFDHUKHKEXTQ-CYBMUJFWSA-N 1 2 314.654 4.209 20 30 DIEDLO CCn1c2ccc(Cl)cc2[nH+]c1NCC(C)(C)CCC#N ZINC001308508047 1066035700 /nfs/dbraw/zinc/03/57/00/1066035700.db2.gz SIUALGIYQMISCY-UHFFFAOYSA-N 1 2 304.825 4.451 20 30 DIEDLO CC(C)n1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1F ZINC001308508529 1066035959 /nfs/dbraw/zinc/03/59/59/1066035959.db2.gz YBOIFNFDZJBBGO-UHFFFAOYSA-N 1 2 308.360 4.240 20 30 DIEDLO N#Cc1ccc(CNc2[nH+]c3ccccc3n2CC2CC2)c(F)c1 ZINC001308527768 1066047170 /nfs/dbraw/zinc/04/71/70/1066047170.db2.gz RFGQKLXJPCXCRW-UHFFFAOYSA-N 1 2 320.371 4.069 20 30 DIEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](CCC#N)CC(C)(C)C ZINC001308589068 1066102457 /nfs/dbraw/zinc/10/24/57/1066102457.db2.gz HGSJRUYYEWCELS-UHFFFAOYSA-N 1 2 324.472 4.251 20 30 DIEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](CCC#N)CC(C)(C)C ZINC001308589068 1066102460 /nfs/dbraw/zinc/10/24/60/1066102460.db2.gz HGSJRUYYEWCELS-UHFFFAOYSA-N 1 2 324.472 4.251 20 30 DIEDLO C=CCCCC[C@@H](C)[NH2+]c1ccc(N2CCOCC2)c(C)c1 ZINC001308635516 1066130427 /nfs/dbraw/zinc/13/04/27/1066130427.db2.gz NUIQMXMYURXLPQ-QGZVFWFLSA-N 1 2 302.462 4.378 20 30 DIEDLO C=CCC[C@@H](CCC)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001308730227 1066207559 /nfs/dbraw/zinc/20/75/59/1066207559.db2.gz FDGJPOYIRQOHSS-IXDOHACOSA-N 1 2 317.477 4.242 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@H+](CCCc1c(F)cccc1Cl)C2 ZINC001308837621 1066311789 /nfs/dbraw/zinc/31/17/89/1066311789.db2.gz HABMITUPQAOXMQ-UHFFFAOYSA-N 1 2 314.791 4.299 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@@H+](CCCc1c(F)cccc1Cl)C2 ZINC001308837621 1066311808 /nfs/dbraw/zinc/31/18/08/1066311808.db2.gz HABMITUPQAOXMQ-UHFFFAOYSA-N 1 2 314.791 4.299 20 30 DIEDLO N#Cc1c(F)cccc1C[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001308937802 1066409051 /nfs/dbraw/zinc/40/90/51/1066409051.db2.gz YQGZXECJQSDSID-UHFFFAOYSA-N 1 2 322.383 4.015 20 30 DIEDLO N#Cc1c(F)cccc1C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001308937802 1066409054 /nfs/dbraw/zinc/40/90/54/1066409054.db2.gz YQGZXECJQSDSID-UHFFFAOYSA-N 1 2 322.383 4.015 20 30 DIEDLO C[C@@H](SCCc1[nH+]c2ccccc2n1C)c1cccc(C#N)c1 ZINC000563838279 335043230 /nfs/dbraw/zinc/04/32/30/335043230.db2.gz YKCQJUUGEHWGSI-CQSZACIVSA-N 1 2 321.449 4.482 20 30 DIEDLO CCCCc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000271760441 129956906 /nfs/dbraw/zinc/95/69/06/129956906.db2.gz HSQDSVCHXIVQDD-UHFFFAOYSA-N 1 2 311.454 4.136 20 30 DIEDLO CC(C)c1nc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000274393574 130231735 /nfs/dbraw/zinc/23/17/35/130231735.db2.gz CONFICFVWXPPIW-CYBMUJFWSA-N 1 2 311.454 4.478 20 30 DIEDLO Cc1csc(C2([NH2+]Cc3ccc(Cl)cc3C#N)CCC2)n1 ZINC000275168606 130295153 /nfs/dbraw/zinc/29/51/53/130295153.db2.gz KNNSLMSZMDXEFP-UHFFFAOYSA-N 1 2 317.845 4.146 20 30 DIEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nc(C(C)C)no1 ZINC000298012593 132044163 /nfs/dbraw/zinc/04/41/63/132044163.db2.gz ZCHBNSFTVOFXIN-CQSZACIVSA-N 1 2 312.417 4.038 20 30 DIEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nc(C(C)C)no1 ZINC000298012593 132044165 /nfs/dbraw/zinc/04/41/65/132044165.db2.gz ZCHBNSFTVOFXIN-CQSZACIVSA-N 1 2 312.417 4.038 20 30 DIEDLO CCCn1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1F ZINC000539708585 435564552 /nfs/dbraw/zinc/56/45/52/435564552.db2.gz JNNSVJJVAIHSOH-UHFFFAOYSA-N 1 2 308.360 4.069 20 30 DIEDLO C=CC[C@@H](CC)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000410135568 332092345 /nfs/dbraw/zinc/09/23/45/332092345.db2.gz NZLNTRJFEMNTTL-MRXNPFEDSA-N 1 2 310.397 4.267 20 30 DIEDLO C[C@H](CCc1cccc(F)c1)[N@H+](CCC#N)Cc1ccco1 ZINC000182957523 332170774 /nfs/dbraw/zinc/17/07/74/332170774.db2.gz LSXCQXMNMGOVHN-OAHLLOKOSA-N 1 2 300.377 4.156 20 30 DIEDLO C[C@H](CCc1cccc(F)c1)[N@@H+](CCC#N)Cc1ccco1 ZINC000182957523 332170776 /nfs/dbraw/zinc/17/07/76/332170776.db2.gz LSXCQXMNMGOVHN-OAHLLOKOSA-N 1 2 300.377 4.156 20 30 DIEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000428255026 332188861 /nfs/dbraw/zinc/18/88/61/332188861.db2.gz IVWTVKUZPYFERR-ROUUACIJSA-N 1 2 323.440 4.378 20 30 DIEDLO Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000428255026 332188862 /nfs/dbraw/zinc/18/88/62/332188862.db2.gz IVWTVKUZPYFERR-ROUUACIJSA-N 1 2 323.440 4.378 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1cnc(C)cn1)c1ccc(F)c(F)c1 ZINC000428427449 332191558 /nfs/dbraw/zinc/19/15/58/332191558.db2.gz RVTJIPNHZOAYJX-YVEFUNNKSA-N 1 2 303.356 4.031 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H](C)c1cnc(C)cn1)c1ccc(F)c(F)c1 ZINC000428427446 332191614 /nfs/dbraw/zinc/19/16/14/332191614.db2.gz RVTJIPNHZOAYJX-PXAZEXFGSA-N 1 2 303.356 4.031 20 30 DIEDLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363720826 332232295 /nfs/dbraw/zinc/23/22/95/332232295.db2.gz SKQGBRNKUCPHBR-AWEZNQCLSA-N 1 2 316.408 4.108 20 30 DIEDLO CC#CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000293242513 335102668 /nfs/dbraw/zinc/10/26/68/335102668.db2.gz SVJKXTAYPPQQMU-JTQLQIEISA-N 1 2 324.211 4.060 20 30 DIEDLO CC#CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000293242513 335102669 /nfs/dbraw/zinc/10/26/69/335102669.db2.gz SVJKXTAYPPQQMU-JTQLQIEISA-N 1 2 324.211 4.060 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1nc2ccc(F)cc2o1 ZINC000119417099 332371449 /nfs/dbraw/zinc/37/14/49/332371449.db2.gz MUXVCLOYYPGLID-UHFFFAOYSA-N 1 2 303.381 4.119 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1nc2ccc(F)cc2o1 ZINC000119417099 332371450 /nfs/dbraw/zinc/37/14/50/332371450.db2.gz MUXVCLOYYPGLID-UHFFFAOYSA-N 1 2 303.381 4.119 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000562250041 332564211 /nfs/dbraw/zinc/56/42/11/332564211.db2.gz HNHRYIUBQFBMKE-ZDUSSCGKSA-N 1 2 305.834 4.245 20 30 DIEDLO C=CCC(CC=C)c1nc(Cn2c3ccccc3[nH+]c2CC)no1 ZINC000460725415 333129454 /nfs/dbraw/zinc/12/94/54/333129454.db2.gz BZZXEWRHZZRWCG-UHFFFAOYSA-N 1 2 322.412 4.266 20 30 DIEDLO Cc1csc([C@H]([NH2+]Cc2ccc(Cl)cc2C#N)C2CC2)n1 ZINC000187453470 333232892 /nfs/dbraw/zinc/23/28/92/333232892.db2.gz NHLDCELSTOBTBQ-OAHLLOKOSA-N 1 2 317.845 4.218 20 30 DIEDLO Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1Oc1cc[nH+]cc1 ZINC000193696955 333305765 /nfs/dbraw/zinc/30/57/65/333305765.db2.gz FPWWTCXKPKLVCJ-UHFFFAOYSA-N 1 2 321.380 4.205 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccc(F)c(F)c1 ZINC000295783041 335137717 /nfs/dbraw/zinc/13/77/17/335137717.db2.gz QXXJMNUGQLWUSA-HNNXBMFYSA-N 1 2 323.412 4.347 20 30 DIEDLO C=CCCc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337132714 333439882 /nfs/dbraw/zinc/43/98/82/333439882.db2.gz AMLLXJXFSBTLBQ-UHFFFAOYSA-N 1 2 317.392 4.243 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(F)c(F)c1 ZINC000296503494 335145783 /nfs/dbraw/zinc/14/57/83/335145783.db2.gz QDEQIBIFQOIIML-RLCCDNCMSA-N 1 2 303.356 4.074 20 30 DIEDLO N#CCC[N@@H+](CCCc1ccccc1Cl)Cc1ccco1 ZINC000343542878 335171069 /nfs/dbraw/zinc/17/10/69/335171069.db2.gz VUTALSBMPUOOEQ-UHFFFAOYSA-N 1 2 302.805 4.281 20 30 DIEDLO N#CCC[N@H+](CCCc1ccccc1Cl)Cc1ccco1 ZINC000343542878 335171070 /nfs/dbraw/zinc/17/10/70/335171070.db2.gz VUTALSBMPUOOEQ-UHFFFAOYSA-N 1 2 302.805 4.281 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000272642935 334038421 /nfs/dbraw/zinc/03/84/21/334038421.db2.gz XTVFKRGEPCEYHV-UHFFFAOYSA-N 1 2 315.804 4.121 20 30 DIEDLO Cc1ccc[nH+]c1[C@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)C1 ZINC000281497388 334126568 /nfs/dbraw/zinc/12/65/68/334126568.db2.gz GNQWLWGNUMKMSD-DLBZAZTESA-N 1 2 321.424 4.431 20 30 DIEDLO CCc1ccc([N@H+](CC)CCCC2(C#N)CCOCC2)cc1 ZINC000281891074 334129383 /nfs/dbraw/zinc/12/93/83/334129383.db2.gz DUWDYDRWBYNRFK-UHFFFAOYSA-N 1 2 300.446 4.176 20 30 DIEDLO CCc1ccc([N@@H+](CC)CCCC2(C#N)CCOCC2)cc1 ZINC000281891074 334129385 /nfs/dbraw/zinc/12/93/85/334129385.db2.gz DUWDYDRWBYNRFK-UHFFFAOYSA-N 1 2 300.446 4.176 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284494183 334143673 /nfs/dbraw/zinc/14/36/73/334143673.db2.gz XDHDXEZDZLAPSX-NSHDSACASA-N 1 2 305.834 4.055 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284494183 334143674 /nfs/dbraw/zinc/14/36/74/334143674.db2.gz XDHDXEZDZLAPSX-NSHDSACASA-N 1 2 305.834 4.055 20 30 DIEDLO CSCc1cnc(C[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000293409166 334197940 /nfs/dbraw/zinc/19/79/40/334197940.db2.gz YTMRYNONDVDIHH-OAHLLOKOSA-N 1 2 317.483 4.141 20 30 DIEDLO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC000535212596 334378780 /nfs/dbraw/zinc/37/87/80/334378780.db2.gz QMQLZWNHCKIEPD-UHFFFAOYSA-N 1 2 312.388 4.117 20 30 DIEDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC000535212596 334378782 /nfs/dbraw/zinc/37/87/82/334378782.db2.gz QMQLZWNHCKIEPD-UHFFFAOYSA-N 1 2 312.388 4.117 20 30 DIEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000344055123 335213727 /nfs/dbraw/zinc/21/37/27/335213727.db2.gz URUMMICUIODNJR-INIZCTEOSA-N 1 2 303.793 4.067 20 30 DIEDLO CC(C)c1cnc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000346166434 335384503 /nfs/dbraw/zinc/38/45/03/335384503.db2.gz JBMFUFJLVZLWTO-UHFFFAOYSA-N 1 2 323.465 4.427 20 30 DIEDLO CC(C)c1cnc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000346166434 335384504 /nfs/dbraw/zinc/38/45/04/335384504.db2.gz JBMFUFJLVZLWTO-UHFFFAOYSA-N 1 2 323.465 4.427 20 30 DIEDLO C=C(C)CCc1noc(CCn2c3ccccc3[nH+]c2C2CC2)n1 ZINC000351623750 336052306 /nfs/dbraw/zinc/05/23/06/336052306.db2.gz TUJWKOJWVSGBHA-UHFFFAOYSA-N 1 2 322.412 4.048 20 30 DIEDLO N#Cc1csc(C[NH2+]C(c2cccs2)c2cccs2)n1 ZINC000352803141 336239919 /nfs/dbraw/zinc/23/99/19/336239919.db2.gz VFLQUVDDCISYLK-UHFFFAOYSA-N 1 2 317.464 4.017 20 30 DIEDLO C=C1CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000532553633 336255287 /nfs/dbraw/zinc/25/52/87/336255287.db2.gz YDRNNQQYQZVDDU-LJQANCHMSA-N 1 2 306.409 4.018 20 30 DIEDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc(C#N)c(Cl)c1 ZINC000301281477 336298485 /nfs/dbraw/zinc/29/84/85/336298485.db2.gz XTQXUZFHKSPQJD-UHFFFAOYSA-N 1 2 324.815 4.372 20 30 DIEDLO N#Cc1cccnc1Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000301740151 336326768 /nfs/dbraw/zinc/32/67/68/336326768.db2.gz DKQBFNFUBQARLJ-UHFFFAOYSA-N 1 2 311.348 4.036 20 30 DIEDLO CC(C)c1cc(NCc2ccc(C#N)cc2F)nc(C(C)C)[nH+]1 ZINC000301885362 336336272 /nfs/dbraw/zinc/33/62/72/336336272.db2.gz ZOGSCWGOMQNFLM-UHFFFAOYSA-N 1 2 312.392 4.346 20 30 DIEDLO Cc1nc(N[C@@H](CCC#N)c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302121942 336349503 /nfs/dbraw/zinc/34/95/03/336349503.db2.gz YGYWIKABJVFMNV-KRWDZBQOSA-N 1 2 306.413 4.121 20 30 DIEDLO C=CCC[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000353658791 336432535 /nfs/dbraw/zinc/43/25/35/336432535.db2.gz PFGJYRDEZJVOPD-KRWDZBQOSA-N 1 2 320.396 4.163 20 30 DIEDLO C=CCN(C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000357880023 336602529 /nfs/dbraw/zinc/60/25/29/336602529.db2.gz LRHHALRFUROKIK-UHFFFAOYSA-N 1 2 309.369 4.056 20 30 DIEDLO Cc1ccc(CSc2nc3c(c(C)c2C#N)CCC3)c(C)[nH+]1 ZINC000358865570 336645395 /nfs/dbraw/zinc/64/53/95/336645395.db2.gz MXDMLWJRZHQREQ-UHFFFAOYSA-N 1 2 309.438 4.055 20 30 DIEDLO Cc1ccc([C@H]([NH2+]Cc2ccccc2C#N)c2ccccn2)cc1 ZINC000375917481 337023102 /nfs/dbraw/zinc/02/31/02/337023102.db2.gz BKZAQNFRONNJCZ-NRFANRHFSA-N 1 2 313.404 4.141 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000189889198 337282566 /nfs/dbraw/zinc/28/25/66/337282566.db2.gz YKWGEGCYBCRVFX-UHFFFAOYSA-N 1 2 319.408 4.439 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)c(F)c1 ZINC000195059225 337464672 /nfs/dbraw/zinc/46/46/72/337464672.db2.gz LGHUUAMUFFFNGC-QGZVFWFLSA-N 1 2 323.396 4.033 20 30 DIEDLO Cc1cc(CNc2ccc(C#N)cc2C(F)(F)F)cc(C)[nH+]1 ZINC000420649878 337509863 /nfs/dbraw/zinc/50/98/63/337509863.db2.gz HBLHYJFCHUBLBE-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000120466592 337874745 /nfs/dbraw/zinc/87/47/45/337874745.db2.gz BUDQHPMGPLZKKE-UHFFFAOYSA-N 1 2 321.833 4.325 20 30 DIEDLO CCCc1nc(C)c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000428255321 338044546 /nfs/dbraw/zinc/04/45/46/338044546.db2.gz JWWIDQGRDJCIHW-ROUUACIJSA-N 1 2 323.440 4.207 20 30 DIEDLO CCCc1nc(C)c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000428255321 338044547 /nfs/dbraw/zinc/04/45/47/338044547.db2.gz JWWIDQGRDJCIHW-ROUUACIJSA-N 1 2 323.440 4.207 20 30 DIEDLO Cc1csc(C2([NH2+]Cc3cccc(F)c3C#N)CCCC2)n1 ZINC000428343395 338048099 /nfs/dbraw/zinc/04/80/99/338048099.db2.gz BOCXUHYKWILYNV-UHFFFAOYSA-N 1 2 315.417 4.021 20 30 DIEDLO N#Cc1c(F)cccc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000428397031 338050261 /nfs/dbraw/zinc/05/02/61/338050261.db2.gz GOESRPGHLBNMDC-UHFFFAOYSA-N 1 2 316.420 4.011 20 30 DIEDLO N#CCCC[C@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccccc1 ZINC000433031583 338177435 /nfs/dbraw/zinc/17/74/35/338177435.db2.gz ZNJUNPUXMYENMD-KRWDZBQOSA-N 1 2 324.428 4.252 20 30 DIEDLO CC#CCCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436191581 338261351 /nfs/dbraw/zinc/26/13/51/338261351.db2.gz ZDRKUFUQVDYKHG-UHFFFAOYSA-N 1 2 321.424 4.019 20 30 DIEDLO C=CCc1ccccc1OCc1c[nH+]cn1Cc1ccccc1 ZINC000437630505 338316584 /nfs/dbraw/zinc/31/65/84/338316584.db2.gz XMGUSZSTDJBBOZ-UHFFFAOYSA-N 1 2 304.393 4.239 20 30 DIEDLO N#Cc1ccc(OCc2c[nH+]cn2Cc2ccccc2)cc1Cl ZINC000438905275 338355537 /nfs/dbraw/zinc/35/55/37/338355537.db2.gz YLBUKQQPHKUTQR-UHFFFAOYSA-N 1 2 323.783 4.035 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C#N)cc1Cl ZINC000439442661 338369663 /nfs/dbraw/zinc/36/96/63/338369663.db2.gz SSPLXUHPVJUQEC-UHFFFAOYSA-N 1 2 303.837 4.364 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C#N)cc1Cl ZINC000439442661 338369664 /nfs/dbraw/zinc/36/96/64/338369664.db2.gz SSPLXUHPVJUQEC-UHFFFAOYSA-N 1 2 303.837 4.364 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1F ZINC000449733341 338648608 /nfs/dbraw/zinc/64/86/08/338648608.db2.gz HSCMITCZVAGFMZ-QGZVFWFLSA-N 1 2 318.342 4.053 20 30 DIEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000468105600 339254114 /nfs/dbraw/zinc/25/41/14/339254114.db2.gz BMSJPXFDQXUPOV-HXUWFJFHSA-N 1 2 323.440 4.427 20 30 DIEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000468114988 339254489 /nfs/dbraw/zinc/25/44/89/339254489.db2.gz JMMDOBCBMSVUQA-LLVKDONJSA-N 1 2 316.326 4.095 20 30 DIEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000468114988 339254490 /nfs/dbraw/zinc/25/44/90/339254490.db2.gz JMMDOBCBMSVUQA-LLVKDONJSA-N 1 2 316.326 4.095 20 30 DIEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000469207986 339283103 /nfs/dbraw/zinc/28/31/03/339283103.db2.gz KYAQPILFTMOBCS-UHFFFAOYSA-N 1 2 320.367 4.493 20 30 DIEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000469207986 339283104 /nfs/dbraw/zinc/28/31/04/339283104.db2.gz KYAQPILFTMOBCS-UHFFFAOYSA-N 1 2 320.367 4.493 20 30 DIEDLO CC[N@@H+](Cc1ccc(Br)c(Cl)c1)C[C@H](C)C#N ZINC000469597680 339293952 /nfs/dbraw/zinc/29/39/52/339293952.db2.gz XHXZJLBJLDUJOE-SNVBAGLBSA-N 1 2 315.642 4.084 20 30 DIEDLO CC[N@H+](Cc1ccc(Br)c(Cl)c1)C[C@H](C)C#N ZINC000469597680 339293953 /nfs/dbraw/zinc/29/39/53/339293953.db2.gz XHXZJLBJLDUJOE-SNVBAGLBSA-N 1 2 315.642 4.084 20 30 DIEDLO C=C(C)[C@@H](Nc1cc[nH+]c2ccncc12)c1ccc(F)c(F)c1 ZINC000475727506 339460465 /nfs/dbraw/zinc/46/04/65/339460465.db2.gz OBWMDTCPYCFNMP-GOSISDBHSA-N 1 2 311.335 4.059 20 30 DIEDLO Cc1cc(C[NH2+][C@@H](c2nccs2)c2ccccc2)ccc1C#N ZINC000488182168 339772704 /nfs/dbraw/zinc/77/27/04/339772704.db2.gz VUBXBNOKVGDQOA-GOSISDBHSA-N 1 2 319.433 4.202 20 30 DIEDLO C[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)c2ccccc21 ZINC000499623355 340041393 /nfs/dbraw/zinc/04/13/93/340041393.db2.gz CBWREMVIPMSAOW-KRWDZBQOSA-N 1 2 312.457 4.491 20 30 DIEDLO C[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)c2ccccc21 ZINC000499623355 340041394 /nfs/dbraw/zinc/04/13/94/340041394.db2.gz CBWREMVIPMSAOW-KRWDZBQOSA-N 1 2 312.457 4.491 20 30 DIEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)CC(C)(C)C#N)c1 ZINC000501262458 340077460 /nfs/dbraw/zinc/07/74/60/340077460.db2.gz PJZFPQSQWNSRBG-UHFFFAOYSA-N 1 2 324.428 4.229 20 30 DIEDLO C=CCCc1ccccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000502327302 340099909 /nfs/dbraw/zinc/09/99/09/340099909.db2.gz RCUXVJUQVWMKOQ-UHFFFAOYSA-N 1 2 307.441 4.281 20 30 DIEDLO C=C(C)CCSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000505428103 340168235 /nfs/dbraw/zinc/16/82/35/340168235.db2.gz PXCGOJAFMUONOL-CQSZACIVSA-N 1 2 310.511 4.149 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnn2ccccc12 ZINC000506087510 340185109 /nfs/dbraw/zinc/18/51/09/340185109.db2.gz XWJWWNKPNGGUEC-UHFFFAOYSA-N 1 2 317.845 4.237 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnn2ccccc12 ZINC000506087510 340185110 /nfs/dbraw/zinc/18/51/10/340185110.db2.gz XWJWWNKPNGGUEC-UHFFFAOYSA-N 1 2 317.845 4.237 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1c(C)nn(CC)c1C ZINC000506127386 340186210 /nfs/dbraw/zinc/18/62/10/340186210.db2.gz YSWMHOZFDSHSKU-UHFFFAOYSA-N 1 2 323.893 4.423 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1c(C)nn(CC)c1C ZINC000506127386 340186211 /nfs/dbraw/zinc/18/62/11/340186211.db2.gz YSWMHOZFDSHSKU-UHFFFAOYSA-N 1 2 323.893 4.423 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000507708144 340229135 /nfs/dbraw/zinc/22/91/35/340229135.db2.gz MCOPBQWHXAPIIL-UHFFFAOYSA-N 1 2 316.754 4.484 20 30 DIEDLO N#Cc1cc(NCc2c[nH+]c3ccc(Cl)cn23)ccc1Cl ZINC000508636692 340249022 /nfs/dbraw/zinc/24/90/22/340249022.db2.gz JXIPATAGAQFHCZ-UHFFFAOYSA-N 1 2 317.179 4.125 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(OCCCc2ccccc2)c1 ZINC000509784670 340279098 /nfs/dbraw/zinc/27/90/98/340279098.db2.gz XVCZIXNMPISTSS-SFHVURJKSA-N 1 2 322.452 4.290 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(OCCCc2ccccc2)c1 ZINC000509784670 340279099 /nfs/dbraw/zinc/27/90/99/340279099.db2.gz XVCZIXNMPISTSS-SFHVURJKSA-N 1 2 322.452 4.290 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000509785122 340279114 /nfs/dbraw/zinc/27/91/14/340279114.db2.gz DWGPCDYGXJQHJM-CYBMUJFWSA-N 1 2 306.837 4.253 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000509785122 340279115 /nfs/dbraw/zinc/27/91/15/340279115.db2.gz DWGPCDYGXJQHJM-CYBMUJFWSA-N 1 2 306.837 4.253 20 30 DIEDLO CC[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@H](C)C#N ZINC000509814262 340279966 /nfs/dbraw/zinc/27/99/66/340279966.db2.gz SRWJYWMIXQHATI-SNVBAGLBSA-N 1 2 304.743 4.340 20 30 DIEDLO CC[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@H](C)C#N ZINC000509814262 340279967 /nfs/dbraw/zinc/27/99/67/340279967.db2.gz SRWJYWMIXQHATI-SNVBAGLBSA-N 1 2 304.743 4.340 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000509831840 340281025 /nfs/dbraw/zinc/28/10/25/340281025.db2.gz JTYWQYXUJBOLSZ-GFCCVEGCSA-N 1 2 304.340 4.033 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000509831840 340281026 /nfs/dbraw/zinc/28/10/26/340281026.db2.gz JTYWQYXUJBOLSZ-GFCCVEGCSA-N 1 2 304.340 4.033 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccccc1C#N ZINC000302752427 340281351 /nfs/dbraw/zinc/28/13/51/340281351.db2.gz YELBJJNZDTWHFA-UHFFFAOYSA-N 1 2 302.830 4.461 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccccc1C#N ZINC000302752427 340281352 /nfs/dbraw/zinc/28/13/52/340281352.db2.gz YELBJJNZDTWHFA-UHFFFAOYSA-N 1 2 302.830 4.461 20 30 DIEDLO Cc1c(Cl)c(C[NH+]2CCC(F)(C#N)CC2)nc2ccccc12 ZINC000510886748 340314054 /nfs/dbraw/zinc/31/40/54/340314054.db2.gz FGQGASJBRFIEHT-UHFFFAOYSA-N 1 2 317.795 4.024 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1ncccc1C(F)(F)F ZINC000511521095 340329359 /nfs/dbraw/zinc/32/93/59/340329359.db2.gz GJHOAFJWIZHXJO-UHFFFAOYSA-N 1 2 324.321 4.428 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1F)Cc1ncccc1C(F)(F)F ZINC000511521095 340329360 /nfs/dbraw/zinc/32/93/60/340329360.db2.gz GJHOAFJWIZHXJO-UHFFFAOYSA-N 1 2 324.321 4.428 20 30 DIEDLO C=CC[N@@H+](Cc1c(C)nn(CCC)c1C)Cc1ccccc1F ZINC000511525729 340329501 /nfs/dbraw/zinc/32/95/01/340329501.db2.gz YFAKOBBAPDSBKQ-UHFFFAOYSA-N 1 2 315.436 4.237 20 30 DIEDLO C=CC[N@H+](Cc1c(C)nn(CCC)c1C)Cc1ccccc1F ZINC000511525729 340329502 /nfs/dbraw/zinc/32/95/02/340329502.db2.gz YFAKOBBAPDSBKQ-UHFFFAOYSA-N 1 2 315.436 4.237 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000511599417 340331886 /nfs/dbraw/zinc/33/18/86/340331886.db2.gz ZEZXPTPVIASVSP-KRWDZBQOSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1cc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000511599417 340331887 /nfs/dbraw/zinc/33/18/87/340331887.db2.gz ZEZXPTPVIASVSP-KRWDZBQOSA-N 1 2 300.764 4.298 20 30 DIEDLO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512654781 340371241 /nfs/dbraw/zinc/37/12/41/340371241.db2.gz ORYYZFJEEKSWKE-RYUDHWBXSA-N 1 2 316.351 4.257 20 30 DIEDLO COc1c(C)c[nH+]c(CSCc2ccc(F)cc2C#N)c1C ZINC000540724649 340943311 /nfs/dbraw/zinc/94/33/11/340943311.db2.gz WJDQJIJEQHVKIY-UHFFFAOYSA-N 1 2 316.401 4.151 20 30 DIEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000541760336 340982609 /nfs/dbraw/zinc/98/26/09/340982609.db2.gz HYAJWWHRWVZIGR-NSHDSACASA-N 1 2 308.303 4.215 20 30 DIEDLO Cc1ccnc(Nc2cccc(Oc3cc[nH+]cc3)c2)c1C#N ZINC000544069470 341069107 /nfs/dbraw/zinc/06/91/07/341069107.db2.gz UYKNXZWYGWIRCW-UHFFFAOYSA-N 1 2 302.337 4.193 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000545164721 341110941 /nfs/dbraw/zinc/11/09/41/341110941.db2.gz DPXVQOROWGCWSE-HNNXBMFYSA-N 1 2 306.837 4.443 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000545220997 341115154 /nfs/dbraw/zinc/11/51/54/341115154.db2.gz FWICHQYYFQHBPP-UHFFFAOYSA-N 1 2 307.328 4.159 20 30 DIEDLO CCC[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccc(C#N)cc1 ZINC000132211153 341118444 /nfs/dbraw/zinc/11/84/44/341118444.db2.gz VACZUELPQHIXKV-UHFFFAOYSA-N 1 2 324.428 4.011 20 30 DIEDLO CCC[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccc(C#N)cc1 ZINC000132211153 341118445 /nfs/dbraw/zinc/11/84/45/341118445.db2.gz VACZUELPQHIXKV-UHFFFAOYSA-N 1 2 324.428 4.011 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000547341133 341207236 /nfs/dbraw/zinc/20/72/36/341207236.db2.gz SZRYAJZBPHJEFD-UHFFFAOYSA-N 1 2 323.730 4.015 20 30 DIEDLO COc1cc(Cl)c(CNc2cc(CC#N)cc[nH+]2)cc1Cl ZINC000547343038 341207464 /nfs/dbraw/zinc/20/74/64/341207464.db2.gz WLZHEVXFCQBILQ-UHFFFAOYSA-N 1 2 322.195 4.075 20 30 DIEDLO Cc1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1C1CC1 ZINC000547855664 341237971 /nfs/dbraw/zinc/23/79/71/341237971.db2.gz WZKURLBJXQWOEI-UHFFFAOYSA-N 1 2 302.381 4.004 20 30 DIEDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCC(C)(C)C#N ZINC000548731579 341271079 /nfs/dbraw/zinc/27/10/79/341271079.db2.gz INAXJHBXPXSTLS-BBRMVZONSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCC(C)(C)C#N ZINC000548731579 341271080 /nfs/dbraw/zinc/27/10/80/341271080.db2.gz INAXJHBXPXSTLS-BBRMVZONSA-N 1 2 306.837 4.042 20 30 DIEDLO C=CCSCC[NH2+][C@H](c1cccc(OC(C)C)c1)C(F)F ZINC000550921718 341326879 /nfs/dbraw/zinc/32/68/79/341326879.db2.gz YQLOKUZUMUIRFN-OAHLLOKOSA-N 1 2 315.429 4.289 20 30 DIEDLO CC(C)(C#N)[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000577418075 341909039 /nfs/dbraw/zinc/90/90/39/341909039.db2.gz YDQVPGHJTUNTOA-UHFFFAOYSA-N 1 2 312.335 4.067 20 30 DIEDLO CC[C@H]([NH2+]CC(F)(F)c1ccccc1)c1ccc(C#N)cc1 ZINC000577684660 341928978 /nfs/dbraw/zinc/92/89/78/341928978.db2.gz PCNCHJMPZWBBFY-KRWDZBQOSA-N 1 2 300.352 4.391 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc(-c2cccs2)o1 ZINC000338361090 525606088 /nfs/dbraw/zinc/60/60/88/525606088.db2.gz LRRKJORECNNJPC-NWDGAFQWSA-N 1 2 324.409 4.082 20 30 DIEDLO Cc1oc(-c2ccsc2)nc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000102655344 526751749 /nfs/dbraw/zinc/75/17/49/526751749.db2.gz AOZSTTQSTZUBKD-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO Cc1oc(-c2ccsc2)nc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000102655344 526751754 /nfs/dbraw/zinc/75/17/54/526751754.db2.gz AOZSTTQSTZUBKD-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO Cc1cc(C)c(Nc2ccc(C#N)cc2Br)c[nH+]1 ZINC001213513293 1035731999 /nfs/dbraw/zinc/73/19/99/1035731999.db2.gz AAPZOAJEXLFQFK-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187249691 1036109577 /nfs/dbraw/zinc/10/95/77/1036109577.db2.gz NWMLDFXYBPAUQM-LBPRGKRZSA-N 1 2 300.789 4.110 20 30 DIEDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187249691 1036109583 /nfs/dbraw/zinc/10/95/83/1036109583.db2.gz NWMLDFXYBPAUQM-LBPRGKRZSA-N 1 2 300.789 4.110 20 30 DIEDLO CC[C@@H]1CO[C@](C)(CCC(C)C)N1c1ccc(CC#N)c(C)[nH+]1 ZINC001167132971 1036164202 /nfs/dbraw/zinc/16/42/02/1036164202.db2.gz QRQZXLJTQGGIJJ-IEBWSBKVSA-N 1 2 315.461 4.224 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1OC ZINC001167273888 1036357591 /nfs/dbraw/zinc/35/75/91/1036357591.db2.gz SQOFVMZRBFPNMZ-UHFFFAOYSA-N 1 2 317.791 4.123 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1OC ZINC001167273888 1036357607 /nfs/dbraw/zinc/35/76/07/1036357607.db2.gz SQOFVMZRBFPNMZ-UHFFFAOYSA-N 1 2 317.791 4.123 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(F)c(Cl)c1 ZINC000255068427 1036464219 /nfs/dbraw/zinc/46/42/19/1036464219.db2.gz NFOVMPUUUCRCHN-ALCCZGGFSA-N 1 2 300.720 4.023 20 30 DIEDLO C=CC[N@@H+](C)Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000625333308 1036508036 /nfs/dbraw/zinc/50/80/36/1036508036.db2.gz FPRRBZQSQONUJK-UHFFFAOYSA-N 1 2 314.282 4.117 20 30 DIEDLO C=CC[N@H+](C)Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000625333308 1036508041 /nfs/dbraw/zinc/50/80/41/1036508041.db2.gz FPRRBZQSQONUJK-UHFFFAOYSA-N 1 2 314.282 4.117 20 30 DIEDLO Cc1c2ccccc2oc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000255112675 1036558075 /nfs/dbraw/zinc/55/80/75/1036558075.db2.gz YOOJYDJHZQWVLI-KTKRTIGZSA-N 1 2 302.333 4.285 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(-c2cccs2)no1 ZINC000610343301 1036833881 /nfs/dbraw/zinc/83/38/81/1036833881.db2.gz DBIUVSJEXKOFFY-NWDGAFQWSA-N 1 2 324.409 4.082 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nnc(-c2ccccc2)o1 ZINC000610346163 1036841867 /nfs/dbraw/zinc/84/18/67/1036841867.db2.gz NFHIXHYZUHZKBB-ZIAGYGMSSA-N 1 2 318.380 4.020 20 30 DIEDLO C[N@@H+]1Cc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2C1 ZINC000255332621 1037806235 /nfs/dbraw/zinc/80/62/35/1037806235.db2.gz ZVDPJMDTTKUCSI-UHFFFAOYSA-N 1 2 321.207 4.395 20 30 DIEDLO C[N@H+]1Cc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2C1 ZINC000255332621 1037806251 /nfs/dbraw/zinc/80/62/51/1037806251.db2.gz ZVDPJMDTTKUCSI-UHFFFAOYSA-N 1 2 321.207 4.395 20 30 DIEDLO CC([NH2+]Cc1nc(C#N)cs1)(c1ccccc1)c1ccccc1 ZINC000581696231 1037922808 /nfs/dbraw/zinc/92/28/08/1037922808.db2.gz ZMAIEBODXYQFDE-UHFFFAOYSA-N 1 2 319.433 4.068 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000187430753 1037945494 /nfs/dbraw/zinc/94/54/94/1037945494.db2.gz AVURKYLHDRCHRE-UHFFFAOYSA-N 1 2 300.764 4.130 20 30 DIEDLO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[C@H]1C#N ZINC000602975963 1038120690 /nfs/dbraw/zinc/12/06/90/1038120690.db2.gz JGMWPGIKLVBXFN-SUMWQHHRSA-N 1 2 315.804 4.119 20 30 DIEDLO C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[C@H]1C#N ZINC000602975963 1038120699 /nfs/dbraw/zinc/12/06/99/1038120699.db2.gz JGMWPGIKLVBXFN-SUMWQHHRSA-N 1 2 315.804 4.119 20 30 DIEDLO C=CC[N@@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000121631372 1038278935 /nfs/dbraw/zinc/27/89/35/1038278935.db2.gz LYXTTXZTFKKDKA-LJQANCHMSA-N 1 2 308.425 4.101 20 30 DIEDLO C=CC[N@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000121631372 1038278944 /nfs/dbraw/zinc/27/89/44/1038278944.db2.gz LYXTTXZTFKKDKA-LJQANCHMSA-N 1 2 308.425 4.101 20 30 DIEDLO N#Cc1ccc(F)c(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000599692279 1038334900 /nfs/dbraw/zinc/33/49/00/1038334900.db2.gz DFFRMCGFPBBJQC-UHFFFAOYSA-N 1 2 316.326 4.145 20 30 DIEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991511 1038419029 /nfs/dbraw/zinc/41/90/29/1038419029.db2.gz OUPSSJHJZJUNJP-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991511 1038419032 /nfs/dbraw/zinc/41/90/32/1038419032.db2.gz OUPSSJHJZJUNJP-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992581 1038423421 /nfs/dbraw/zinc/42/34/21/1038423421.db2.gz SERMNPJVZBOZSE-CYBMUJFWSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992581 1038423428 /nfs/dbraw/zinc/42/34/28/1038423428.db2.gz SERMNPJVZBOZSE-CYBMUJFWSA-N 1 2 311.816 4.332 20 30 DIEDLO CCOc1ccc(/C=[NH+]/CCc2c[nH]c3cccc(C)c23)c(O)c1 ZINC000728438205 1038483063 /nfs/dbraw/zinc/48/30/63/1038483063.db2.gz QQAUNMBNUXQSRD-CIAFOILYSA-N 1 2 322.408 4.242 20 30 DIEDLO Cc1cccnc1[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(C)(C)C ZINC000934287605 1038578202 /nfs/dbraw/zinc/57/82/02/1038578202.db2.gz FLVMJILJMPHOIR-GOSISDBHSA-N 1 2 311.404 4.278 20 30 DIEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(F)cc2C#N)s1 ZINC000122101584 1039025426 /nfs/dbraw/zinc/02/54/26/1039025426.db2.gz SXIZNVAJNJHATE-GFCCVEGCSA-N 1 2 317.433 4.218 20 30 DIEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(F)cc2C#N)s1 ZINC000122101584 1039025440 /nfs/dbraw/zinc/02/54/40/1039025440.db2.gz SXIZNVAJNJHATE-GFCCVEGCSA-N 1 2 317.433 4.218 20 30 DIEDLO C=C[C@](C)(CC)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001272319642 1039384098 /nfs/dbraw/zinc/38/40/98/1039384098.db2.gz HGZHYWJVWAARLU-HXUWFJFHSA-N 1 2 324.424 4.394 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccc(F)cc1 ZINC000491316074 1039674712 /nfs/dbraw/zinc/67/47/12/1039674712.db2.gz SITADQNRSSLKJV-OAHLLOKOSA-N 1 2 302.418 4.044 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000093872489 1039904292 /nfs/dbraw/zinc/90/42/92/1039904292.db2.gz PTGHYZYVTDSGKC-ROUUACIJSA-N 1 2 323.465 4.292 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000093872489 1039904312 /nfs/dbraw/zinc/90/43/12/1039904312.db2.gz PTGHYZYVTDSGKC-ROUUACIJSA-N 1 2 323.465 4.292 20 30 DIEDLO CC(C)Oc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1Cl ZINC000492051709 1039908895 /nfs/dbraw/zinc/90/88/95/1039908895.db2.gz XGLSRVHQTADCDV-CYBMUJFWSA-N 1 2 306.837 4.251 20 30 DIEDLO CC(C)Oc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1Cl ZINC000492051709 1039908915 /nfs/dbraw/zinc/90/89/15/1039908915.db2.gz XGLSRVHQTADCDV-CYBMUJFWSA-N 1 2 306.837 4.251 20 30 DIEDLO CC[NH+](CC)c1ccc(C)c(NCCc2ccc(C#N)cc2)c1 ZINC001167682755 1040354942 /nfs/dbraw/zinc/35/49/42/1040354942.db2.gz QJSKWSMANVYQLD-UHFFFAOYSA-N 1 2 307.441 4.368 20 30 DIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000612165540 1040468414 /nfs/dbraw/zinc/46/84/14/1040468414.db2.gz QCWROLRCSNHBMM-NRFANRHFSA-N 1 2 320.436 4.391 20 30 DIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000612165540 1040468431 /nfs/dbraw/zinc/46/84/31/1040468431.db2.gz QCWROLRCSNHBMM-NRFANRHFSA-N 1 2 320.436 4.391 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2c(Cl)cccc2OC(F)F)c1 ZINC000613443640 1040963233 /nfs/dbraw/zinc/96/32/33/1040963233.db2.gz YVXDHQLAVQLMGI-UHFFFAOYSA-N 1 2 323.730 4.015 20 30 DIEDLO C[C@@H]1c2ccccc2C(=O)/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000809156933 1041099629 /nfs/dbraw/zinc/09/96/29/1041099629.db2.gz PJKSPHQNNGCQLD-AXIYWZQUSA-N 1 2 306.390 4.317 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(F)ccc1C)c1ccc(Cl)cc1F ZINC000809698466 1041214554 /nfs/dbraw/zinc/21/45/54/1041214554.db2.gz DOYQLDBLLYRRRG-KRWDZBQOSA-N 1 2 305.755 4.391 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccc(Cl)cc1F ZINC000809699194 1041218710 /nfs/dbraw/zinc/21/87/10/1041218710.db2.gz PPJSFOLIPQGLCQ-QGZVFWFLSA-N 1 2 317.791 4.260 20 30 DIEDLO COc1cccc2[nH+]c(N[C@@H](C)c3cccc(C#N)c3)ccc21 ZINC001167708238 1041289512 /nfs/dbraw/zinc/28/95/12/1041289512.db2.gz BFKJMNNPKXMWRA-ZDUSSCGKSA-N 1 2 303.365 4.288 20 30 DIEDLO CC(=[NH+]NCc1ccccc1Cl)c1ccc(N)cc1Cl ZINC000782901742 1041318849 /nfs/dbraw/zinc/31/88/49/1041318849.db2.gz PBNHLXNOFLCWSR-UHFFFAOYSA-N 1 2 308.212 4.089 20 30 DIEDLO CC(=[NH+]Nc1cc(F)c(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000747642411 1041451908 /nfs/dbraw/zinc/45/19/08/1041451908.db2.gz OXVPAEDVUCAHRF-UHFFFAOYSA-N 1 2 307.319 4.006 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(Cl)cc1 ZINC000811516229 1041535328 /nfs/dbraw/zinc/53/53/28/1041535328.db2.gz HCWQYTHMFHHMGL-OAHLLOKOSA-N 1 2 306.192 4.163 20 30 DIEDLO CCCCCCCCC[C@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000811933779 1041582494 /nfs/dbraw/zinc/58/24/94/1041582494.db2.gz IGZMYHGHERHSKX-KRWDZBQOSA-N 1 2 319.493 4.392 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)c1ccc(F)cc1 ZINC000812793030 1041651028 /nfs/dbraw/zinc/65/10/28/1041651028.db2.gz MIEZFZZRDAZYBV-QGZVFWFLSA-N 1 2 314.429 4.404 20 30 DIEDLO C=CC[N@H+](Cc1cc(-c2ccccc2Cl)on1)[C@H](C)COC ZINC000661240738 1041909644 /nfs/dbraw/zinc/90/96/44/1041909644.db2.gz SSZQLOIHWAJWDN-CYBMUJFWSA-N 1 2 320.820 4.018 20 30 DIEDLO C=CC[N@@H+](Cc1cc(-c2ccccc2Cl)on1)[C@H](C)COC ZINC000661240738 1041909655 /nfs/dbraw/zinc/90/96/55/1041909655.db2.gz SSZQLOIHWAJWDN-CYBMUJFWSA-N 1 2 320.820 4.018 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613900551 1042140279 /nfs/dbraw/zinc/14/02/79/1042140279.db2.gz GUTDKHZOTMCJBJ-IAGOWNOFSA-N 1 2 323.440 4.014 20 30 DIEDLO Nc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c[nH+]1 ZINC000821022015 1042239680 /nfs/dbraw/zinc/23/96/80/1042239680.db2.gz LUZUKXBUPHSWDN-WUXMJOGZSA-N 1 2 300.361 4.227 20 30 DIEDLO N#C[C@H]1CC[C@H](Nc2cc[nH+]c(OCc3ccccc3)c2)CC1 ZINC001167844525 1042262702 /nfs/dbraw/zinc/26/27/02/1042262702.db2.gz QRNMEALKJSCYDK-JCNLHEQBSA-N 1 2 307.397 4.155 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(OCC)o1)c1ccc(F)c(F)c1 ZINC000893669438 1042296963 /nfs/dbraw/zinc/29/69/63/1042296963.db2.gz XMKURWHRESYJCK-QGZVFWFLSA-N 1 2 307.340 4.364 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)c1cnc(C)cn1 ZINC000411141937 1042427268 /nfs/dbraw/zinc/42/72/68/1042427268.db2.gz WIHMIXBPHKVOKO-LBPRGKRZSA-N 1 2 307.850 4.249 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)c1cnc(C)cn1 ZINC000411141937 1042427273 /nfs/dbraw/zinc/42/72/73/1042427273.db2.gz WIHMIXBPHKVOKO-LBPRGKRZSA-N 1 2 307.850 4.249 20 30 DIEDLO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1c(F)cccc1Cl ZINC000729266631 1042517206 /nfs/dbraw/zinc/51/72/06/1042517206.db2.gz ATHWDLLWBFLECR-UHFFFAOYSA-N 1 2 318.779 4.013 20 30 DIEDLO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1c(F)cccc1Cl ZINC000729266631 1042517208 /nfs/dbraw/zinc/51/72/08/1042517208.db2.gz ATHWDLLWBFLECR-UHFFFAOYSA-N 1 2 318.779 4.013 20 30 DIEDLO C=CCCCCC[N@@H+](C)Cn1c2c(sc1=O)C[C@H](CC)CC2 ZINC000739887239 1042525036 /nfs/dbraw/zinc/52/50/36/1042525036.db2.gz JKQFIYJSRZBGRQ-OAHLLOKOSA-N 1 2 322.518 4.060 20 30 DIEDLO C=CCCCCC[N@H+](C)Cn1c2c(sc1=O)C[C@H](CC)CC2 ZINC000739887239 1042525041 /nfs/dbraw/zinc/52/50/41/1042525041.db2.gz JKQFIYJSRZBGRQ-OAHLLOKOSA-N 1 2 322.518 4.060 20 30 DIEDLO C=C1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000513465977 1042543852 /nfs/dbraw/zinc/54/38/52/1042543852.db2.gz AFAXJMZNSALIEU-KRWDZBQOSA-N 1 2 321.848 4.050 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000513737162 1042622604 /nfs/dbraw/zinc/62/26/04/1042622604.db2.gz WAAPKTCTRCDVMB-ZDUSSCGKSA-N 1 2 316.351 4.491 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000513737162 1042622608 /nfs/dbraw/zinc/62/26/08/1042622608.db2.gz WAAPKTCTRCDVMB-ZDUSSCGKSA-N 1 2 316.351 4.491 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c(C)nsc1C ZINC000514948086 1042801874 /nfs/dbraw/zinc/80/18/74/1042801874.db2.gz TZIVVTYZEMJVCL-UHFFFAOYSA-N 1 2 318.490 4.116 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c(C)nsc1C ZINC000514948086 1042801877 /nfs/dbraw/zinc/80/18/77/1042801877.db2.gz TZIVVTYZEMJVCL-UHFFFAOYSA-N 1 2 318.490 4.116 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000515399802 1042817839 /nfs/dbraw/zinc/81/78/39/1042817839.db2.gz UDONFWRSYXPJFK-UHFFFAOYSA-N 1 2 322.817 4.498 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000515399802 1042817842 /nfs/dbraw/zinc/81/78/42/1042817842.db2.gz UDONFWRSYXPJFK-UHFFFAOYSA-N 1 2 322.817 4.498 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000425535368 1042839393 /nfs/dbraw/zinc/83/93/93/1042839393.db2.gz NIJBPNLNRBLWEJ-HNNXBMFYSA-N 1 2 308.429 4.063 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000425535368 1042839399 /nfs/dbraw/zinc/83/93/99/1042839399.db2.gz NIJBPNLNRBLWEJ-HNNXBMFYSA-N 1 2 308.429 4.063 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000519198620 1042938294 /nfs/dbraw/zinc/93/82/94/1042938294.db2.gz OSMRFGLUCSGZCM-UHFFFAOYSA-N 1 2 308.425 4.344 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000519198620 1042938298 /nfs/dbraw/zinc/93/82/98/1042938298.db2.gz OSMRFGLUCSGZCM-UHFFFAOYSA-N 1 2 308.425 4.344 20 30 DIEDLO CC(C)(C)c1cn(Cc2ccc(C#N)cc2C(F)(F)F)c[nH+]1 ZINC000865376322 1043088855 /nfs/dbraw/zinc/08/88/55/1043088855.db2.gz JDMHYLFIEMXENO-UHFFFAOYSA-N 1 2 307.319 4.119 20 30 DIEDLO CCS[C@@H]1CCC[C@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331234817 1043113760 /nfs/dbraw/zinc/11/37/60/1043113760.db2.gz KSHYKEVLDADAMD-LSDHHAIUSA-N 1 2 321.490 4.397 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(-c2ccccn2)nc1 ZINC000425415958 1043154035 /nfs/dbraw/zinc/15/40/35/1043154035.db2.gz FVHXYLJRQXWNGD-UHFFFAOYSA-N 1 2 322.456 4.295 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(-c2ccccn2)nc1 ZINC000425415958 1043154041 /nfs/dbraw/zinc/15/40/41/1043154041.db2.gz FVHXYLJRQXWNGD-UHFFFAOYSA-N 1 2 322.456 4.295 20 30 DIEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1OC ZINC000866228845 1043162915 /nfs/dbraw/zinc/16/29/15/1043162915.db2.gz LELHYJSHSMDPJO-GUYCJALGSA-N 1 2 310.397 4.074 20 30 DIEDLO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866353014 1043185610 /nfs/dbraw/zinc/18/56/10/1043185610.db2.gz NEAMHWCRGGQMBN-STQMWFEESA-N 1 2 312.438 4.398 20 30 DIEDLO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866351163 1043185747 /nfs/dbraw/zinc/18/57/47/1043185747.db2.gz NLHKDRFYYYSUKY-SGTLLEGYSA-N 1 2 310.372 4.131 20 30 DIEDLO COc1cccc(C2([NH2+][C@H](C)c3cccc(C#N)c3O)CCC2)c1 ZINC000866392062 1043196974 /nfs/dbraw/zinc/19/69/74/1043196974.db2.gz VZGYDDGDBGDXPY-CQSZACIVSA-N 1 2 322.408 4.002 20 30 DIEDLO FC(F)(F)C(F)(c1ccc(-c2[nH]cc[nH+]2)cc1)C(F)(F)F ZINC000665206436 1043283326 /nfs/dbraw/zinc/28/33/26/1043283326.db2.gz IVAPRHOMSUYCDO-UHFFFAOYSA-N 1 2 312.188 4.366 20 30 DIEDLO CC[N@H+](CCC#N)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000266920109 1043303892 /nfs/dbraw/zinc/30/38/92/1043303892.db2.gz LVFYZWKDECKHBV-INIZCTEOSA-N 1 2 321.424 4.235 20 30 DIEDLO CC[N@@H+](CCC#N)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000266920109 1043303909 /nfs/dbraw/zinc/30/39/09/1043303909.db2.gz LVFYZWKDECKHBV-INIZCTEOSA-N 1 2 321.424 4.235 20 30 DIEDLO CC[N@H+](CCC#N)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000266920112 1043304500 /nfs/dbraw/zinc/30/45/00/1043304500.db2.gz LVFYZWKDECKHBV-MRXNPFEDSA-N 1 2 321.424 4.235 20 30 DIEDLO CC[N@@H+](CCC#N)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000266920112 1043304504 /nfs/dbraw/zinc/30/45/04/1043304504.db2.gz LVFYZWKDECKHBV-MRXNPFEDSA-N 1 2 321.424 4.235 20 30 DIEDLO C=CC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccccc1 ZINC000271078724 1043401342 /nfs/dbraw/zinc/40/13/42/1043401342.db2.gz UGQKXFKXKPRAGH-KRWDZBQOSA-N 1 2 314.454 4.183 20 30 DIEDLO C=CC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccccc1 ZINC000271078724 1043401347 /nfs/dbraw/zinc/40/13/47/1043401347.db2.gz UGQKXFKXKPRAGH-KRWDZBQOSA-N 1 2 314.454 4.183 20 30 DIEDLO CC[C@@H]([NH2+]Cc1nc(C(C)C)cs1)c1cccc(C#N)c1O ZINC000925283251 1043405718 /nfs/dbraw/zinc/40/57/18/1043405718.db2.gz OQORMXSSRCJIDV-CQSZACIVSA-N 1 2 315.442 4.085 20 30 DIEDLO Cc1nc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000271513254 1043429258 /nfs/dbraw/zinc/42/92/58/1043429258.db2.gz OXWQJZHSQCRZDK-NSHDSACASA-N 1 2 324.371 4.173 20 30 DIEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1c1cccs1 ZINC000558179367 1043453357 /nfs/dbraw/zinc/45/33/57/1043453357.db2.gz IZRXYGDFBXONJF-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]1c1cccs1 ZINC000558179367 1043453362 /nfs/dbraw/zinc/45/33/62/1043453362.db2.gz IZRXYGDFBXONJF-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1sccc1OC ZINC000348873081 1043474750 /nfs/dbraw/zinc/47/47/50/1043474750.db2.gz DKJBMOKUKNHCJP-UHFFFAOYSA-N 1 2 319.474 4.112 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1sccc1OC ZINC000348873081 1043474761 /nfs/dbraw/zinc/47/47/61/1043474761.db2.gz DKJBMOKUKNHCJP-UHFFFAOYSA-N 1 2 319.474 4.112 20 30 DIEDLO Fc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC001137864838 1043535280 /nfs/dbraw/zinc/53/52/80/1043535280.db2.gz OEDMLFXIAPUCFG-VIFPVBQESA-N 1 2 315.232 4.229 20 30 DIEDLO Fc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC001137864838 1043535290 /nfs/dbraw/zinc/53/52/90/1043535290.db2.gz OEDMLFXIAPUCFG-VIFPVBQESA-N 1 2 315.232 4.229 20 30 DIEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](CCC#N)CCC(C)C ZINC000353420386 1043606728 /nfs/dbraw/zinc/60/67/28/1043606728.db2.gz GLMSATDFGLEDGY-UHFFFAOYSA-N 1 2 324.472 4.251 20 30 DIEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](CCC#N)CCC(C)C ZINC000353420386 1043606732 /nfs/dbraw/zinc/60/67/32/1043606732.db2.gz GLMSATDFGLEDGY-UHFFFAOYSA-N 1 2 324.472 4.251 20 30 DIEDLO CCc1cccc(F)c1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000474103110 1043610436 /nfs/dbraw/zinc/61/04/36/1043610436.db2.gz BQJDNOKTXKWMPX-UHFFFAOYSA-N 1 2 300.352 4.031 20 30 DIEDLO CCc1cccc(F)c1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000474103110 1043610440 /nfs/dbraw/zinc/61/04/40/1043610440.db2.gz BQJDNOKTXKWMPX-UHFFFAOYSA-N 1 2 300.352 4.031 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(COC)cs1)c1ccc(Cl)cc1F ZINC000825886845 1043691532 /nfs/dbraw/zinc/69/15/32/1043691532.db2.gz RCTYOMAGUIJIHM-MRXNPFEDSA-N 1 2 323.820 4.151 20 30 DIEDLO CC[N@H+](Cc1nc(Cl)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000876597498 1043699701 /nfs/dbraw/zinc/69/97/01/1043699701.db2.gz DQTXYJITKDMBKR-NSHDSACASA-N 1 2 305.834 4.251 20 30 DIEDLO CC[N@@H+](Cc1nc(Cl)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000876597498 1043699709 /nfs/dbraw/zinc/69/97/09/1043699709.db2.gz DQTXYJITKDMBKR-NSHDSACASA-N 1 2 305.834 4.251 20 30 DIEDLO CC[N@H+](Cc1cc(C#N)cnc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000876599228 1043701513 /nfs/dbraw/zinc/70/15/13/1043701513.db2.gz XWZUBDTXWRPVSK-ZDUSSCGKSA-N 1 2 324.815 4.061 20 30 DIEDLO CC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000876599228 1043701524 /nfs/dbraw/zinc/70/15/24/1043701524.db2.gz XWZUBDTXWRPVSK-ZDUSSCGKSA-N 1 2 324.815 4.061 20 30 DIEDLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(C#N)c(F)c1 ZINC000777655294 1043728779 /nfs/dbraw/zinc/72/87/79/1043728779.db2.gz HTQSODZHMCGHBW-CYBMUJFWSA-N 1 2 309.388 4.253 20 30 DIEDLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(C#N)c(F)c1 ZINC000777655294 1043728794 /nfs/dbraw/zinc/72/87/94/1043728794.db2.gz HTQSODZHMCGHBW-CYBMUJFWSA-N 1 2 309.388 4.253 20 30 DIEDLO N#Cc1csc(C[N@@H+](Cc2cccc(F)c2)C2CCCC2)n1 ZINC000356058842 1043804410 /nfs/dbraw/zinc/80/44/10/1043804410.db2.gz PTCUDFMQNKDIMS-UHFFFAOYSA-N 1 2 315.417 4.099 20 30 DIEDLO N#Cc1csc(C[N@H+](Cc2cccc(F)c2)C2CCCC2)n1 ZINC000356058842 1043804431 /nfs/dbraw/zinc/80/44/31/1043804431.db2.gz PTCUDFMQNKDIMS-UHFFFAOYSA-N 1 2 315.417 4.099 20 30 DIEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCCCC2(C#N)CCC2)no1 ZINC000929307619 1043809152 /nfs/dbraw/zinc/80/91/52/1043809152.db2.gz QUZSKDUDZBVGQW-HNNXBMFYSA-N 1 2 316.449 4.023 20 30 DIEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCCCC2(C#N)CCC2)no1 ZINC000929307619 1043809171 /nfs/dbraw/zinc/80/91/71/1043809171.db2.gz QUZSKDUDZBVGQW-HNNXBMFYSA-N 1 2 316.449 4.023 20 30 DIEDLO CCC[N@H+](Cc1scnc1Cl)Cc1ccc(C#N)cc1 ZINC000877961384 1043832645 /nfs/dbraw/zinc/83/26/45/1043832645.db2.gz KQJJHCVPFZWZPG-UHFFFAOYSA-N 1 2 305.834 4.080 20 30 DIEDLO CCC[N@@H+](Cc1scnc1Cl)Cc1ccc(C#N)cc1 ZINC000877961384 1043832659 /nfs/dbraw/zinc/83/26/59/1043832659.db2.gz KQJJHCVPFZWZPG-UHFFFAOYSA-N 1 2 305.834 4.080 20 30 DIEDLO N#Cc1c(Cl)ccc(Nc2ccn3cc[nH+]c3c2)c1Cl ZINC001205005914 1043835801 /nfs/dbraw/zinc/83/58/01/1043835801.db2.gz OGMNGTZCBSDQDU-UHFFFAOYSA-N 1 2 303.152 4.256 20 30 DIEDLO N#Cc1c(C[N@H+](Cc2cccs2)C2CC2)cn2ccccc12 ZINC000356463606 1043843156 /nfs/dbraw/zinc/84/31/56/1043843156.db2.gz QANMZUAHHVAKFG-UHFFFAOYSA-N 1 2 307.422 4.037 20 30 DIEDLO N#Cc1c(C[N@@H+](Cc2cccs2)C2CC2)cn2ccccc12 ZINC000356463606 1043843179 /nfs/dbraw/zinc/84/31/79/1043843179.db2.gz QANMZUAHHVAKFG-UHFFFAOYSA-N 1 2 307.422 4.037 20 30 DIEDLO C=CC[N@H+](Cc1nc2ccccc2o1)Cc1ccc(OC)cc1 ZINC000054272151 1043846747 /nfs/dbraw/zinc/84/67/47/1043846747.db2.gz JWKZLZRPKQJVHX-UHFFFAOYSA-N 1 2 308.381 4.025 20 30 DIEDLO C=CC[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(OC)cc1 ZINC000054272151 1043846760 /nfs/dbraw/zinc/84/67/60/1043846760.db2.gz JWKZLZRPKQJVHX-UHFFFAOYSA-N 1 2 308.381 4.025 20 30 DIEDLO C[C@@H](c1ccccc1)[N@H+](Cc1cc[nH]n1)Cc1ccc(C#N)cc1 ZINC001137130828 1043881967 /nfs/dbraw/zinc/88/19/67/1043881967.db2.gz KTNUGVWCGYGCRA-INIZCTEOSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@@H](c1ccccc1)[N@@H+](Cc1cc[nH]n1)Cc1ccc(C#N)cc1 ZINC001137130828 1043881989 /nfs/dbraw/zinc/88/19/89/1043881989.db2.gz KTNUGVWCGYGCRA-INIZCTEOSA-N 1 2 316.408 4.045 20 30 DIEDLO CC(C)(C)c1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)co1 ZINC000930158705 1043884900 /nfs/dbraw/zinc/88/49/00/1043884900.db2.gz PPBGUEZTHAAZBK-UHFFFAOYSA-N 1 2 321.424 4.133 20 30 DIEDLO CC(C)(C)c1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)co1 ZINC000930158705 1043884922 /nfs/dbraw/zinc/88/49/22/1043884922.db2.gz PPBGUEZTHAAZBK-UHFFFAOYSA-N 1 2 321.424 4.133 20 30 DIEDLO C=CCC[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000561282065 1043919543 /nfs/dbraw/zinc/91/95/43/1043919543.db2.gz IIGVLTWAHLRMSF-KRWDZBQOSA-N 1 2 308.429 4.196 20 30 DIEDLO C=CCC[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000561282065 1043919549 /nfs/dbraw/zinc/91/95/49/1043919549.db2.gz IIGVLTWAHLRMSF-KRWDZBQOSA-N 1 2 308.429 4.196 20 30 DIEDLO C=CCC[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000561282066 1043921008 /nfs/dbraw/zinc/92/10/08/1043921008.db2.gz IIGVLTWAHLRMSF-QGZVFWFLSA-N 1 2 308.429 4.196 20 30 DIEDLO C=CCC[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000561282066 1043921018 /nfs/dbraw/zinc/92/10/18/1043921018.db2.gz IIGVLTWAHLRMSF-QGZVFWFLSA-N 1 2 308.429 4.196 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)cc(C)n1 ZINC000930459967 1043928093 /nfs/dbraw/zinc/92/80/93/1043928093.db2.gz JJAPSFLVIKPRST-UHFFFAOYSA-N 1 2 312.461 4.054 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)cc(C)n1 ZINC000930459967 1043928107 /nfs/dbraw/zinc/92/81/07/1043928107.db2.gz JJAPSFLVIKPRST-UHFFFAOYSA-N 1 2 312.461 4.054 20 30 DIEDLO C=C(C)C[N@H+](C)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000777961291 1043994502 /nfs/dbraw/zinc/99/45/02/1043994502.db2.gz XPGZXHANJCAFAB-UHFFFAOYSA-N 1 2 310.772 4.355 20 30 DIEDLO C=C(C)C[N@@H+](C)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000777961291 1043994509 /nfs/dbraw/zinc/99/45/09/1043994509.db2.gz XPGZXHANJCAFAB-UHFFFAOYSA-N 1 2 310.772 4.355 20 30 DIEDLO N#CCC[N@H+](CCc1ccc2ccccc2c1)Cc1ccco1 ZINC000357923179 1044000727 /nfs/dbraw/zinc/00/07/27/1044000727.db2.gz CRQARYZVBOBJGR-UHFFFAOYSA-N 1 2 304.393 4.391 20 30 DIEDLO N#CCC[N@@H+](CCc1ccc2ccccc2c1)Cc1ccco1 ZINC000357923179 1044000737 /nfs/dbraw/zinc/00/07/37/1044000737.db2.gz CRQARYZVBOBJGR-UHFFFAOYSA-N 1 2 304.393 4.391 20 30 DIEDLO C=CCCC[C@H]([NH2+]Cc1nc(C(F)F)no1)c1ccccc1 ZINC000880390513 1044036940 /nfs/dbraw/zinc/03/69/40/1044036940.db2.gz RZFXQMUFTORHPP-ZDUSSCGKSA-N 1 2 307.344 4.194 20 30 DIEDLO C=CC[C@H]1N(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCCC1(C)C ZINC000443858366 1044043622 /nfs/dbraw/zinc/04/36/22/1044043622.db2.gz KEOXCXKFRZIYIV-GOSISDBHSA-N 1 2 323.440 4.079 20 30 DIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000562299862 1044097862 /nfs/dbraw/zinc/09/78/62/1044097862.db2.gz LLGOJUSUQFWOBH-UHFFFAOYSA-N 1 2 312.363 4.216 20 30 DIEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000361052972 1044355134 /nfs/dbraw/zinc/35/51/34/1044355134.db2.gz KGKXFFXYEYZZGE-KRWDZBQOSA-N 1 2 314.454 4.353 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000361052972 1044355137 /nfs/dbraw/zinc/35/51/37/1044355137.db2.gz KGKXFFXYEYZZGE-KRWDZBQOSA-N 1 2 314.454 4.353 20 30 DIEDLO CSc1ccccc1C[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000348325339 1044524573 /nfs/dbraw/zinc/52/45/73/1044524573.db2.gz GZESHAHZAFWWLQ-UHFFFAOYSA-N 1 2 321.449 4.165 20 30 DIEDLO CSc1ccccc1C[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000348325339 1044524589 /nfs/dbraw/zinc/52/45/89/1044524589.db2.gz GZESHAHZAFWWLQ-UHFFFAOYSA-N 1 2 321.449 4.165 20 30 DIEDLO N#Cc1c(F)cccc1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000567565544 1044573755 /nfs/dbraw/zinc/57/37/55/1044573755.db2.gz CZJHCSONCOSJSP-UHFFFAOYSA-N 1 2 309.369 4.175 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1cc(Cl)ccc1F ZINC000444707063 1044608612 /nfs/dbraw/zinc/60/86/12/1044608612.db2.gz XSOJLBWRROFNCL-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1cc(Cl)ccc1F ZINC000444707063 1044608577 /nfs/dbraw/zinc/60/85/77/1044608577.db2.gz XSOJLBWRROFNCL-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO N#CC1(CC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)CCCCC1 ZINC000411168434 1044981790 /nfs/dbraw/zinc/98/17/90/1044981790.db2.gz OCQDJTHQDGNQAS-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)CCCCC1 ZINC000411168434 1044981803 /nfs/dbraw/zinc/98/18/03/1044981803.db2.gz OCQDJTHQDGNQAS-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(C#N)CC1 ZINC000151591726 1045028969 /nfs/dbraw/zinc/02/89/69/1045028969.db2.gz ZFUCYEIDVWCPFF-LBPRGKRZSA-N 1 2 315.804 4.292 20 30 DIEDLO CCCCCCCCCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374364002 1045053823 /nfs/dbraw/zinc/05/38/23/1045053823.db2.gz FKDCPKADGJQJDH-QGZVFWFLSA-N 1 2 319.493 4.267 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3coc4ccccc34)n2c1 ZINC000159038078 1045098581 /nfs/dbraw/zinc/09/85/81/1045098581.db2.gz SXTFRJYTLANJHC-BQYQJAHWSA-N 1 2 302.333 4.285 20 30 DIEDLO CCCCCCC[C@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)OC(C)(C)C ZINC001258039638 1045119708 /nfs/dbraw/zinc/11/97/08/1045119708.db2.gz VBWLAJOBCCXWLP-XHSDSOJGSA-N 1 2 315.498 4.070 20 30 DIEDLO CC[C@H]([NH2+][C@H]1CCOc2c(C)cccc21)c1cccc(C#N)c1O ZINC000924888021 1045207377 /nfs/dbraw/zinc/20/73/77/1045207377.db2.gz VOBFOQFLFVOUPW-ROUUACIJSA-N 1 2 322.408 4.137 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnn1-c1ccccc1 ZINC000448333072 1045234433 /nfs/dbraw/zinc/23/44/33/1045234433.db2.gz AEAASHHCAVBJMP-UHFFFAOYSA-N 1 2 310.445 4.024 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnn1-c1ccccc1 ZINC000448333072 1045234440 /nfs/dbraw/zinc/23/44/40/1045234440.db2.gz AEAASHHCAVBJMP-UHFFFAOYSA-N 1 2 310.445 4.024 20 30 DIEDLO C[C@H](C[N@H+](CCC#N)Cc1ccco1)c1cc(F)cc(F)c1 ZINC000449004335 1045332661 /nfs/dbraw/zinc/33/26/61/1045332661.db2.gz XJGOYESVMQDUMG-CYBMUJFWSA-N 1 2 304.340 4.077 20 30 DIEDLO C[C@H](C[N@@H+](CCC#N)Cc1ccco1)c1cc(F)cc(F)c1 ZINC000449004335 1045332666 /nfs/dbraw/zinc/33/26/66/1045332666.db2.gz XJGOYESVMQDUMG-CYBMUJFWSA-N 1 2 304.340 4.077 20 30 DIEDLO CC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000450456047 1045508246 /nfs/dbraw/zinc/50/82/46/1045508246.db2.gz WKQRCJRRHAKIAI-SFTDATJTSA-N 1 2 318.420 4.161 20 30 DIEDLO CC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000450456047 1045508250 /nfs/dbraw/zinc/50/82/50/1045508250.db2.gz WKQRCJRRHAKIAI-SFTDATJTSA-N 1 2 318.420 4.161 20 30 DIEDLO CC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000450456044 1045508365 /nfs/dbraw/zinc/50/83/65/1045508365.db2.gz WKQRCJRRHAKIAI-LEWJYISDSA-N 1 2 318.420 4.161 20 30 DIEDLO CC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000450456044 1045508371 /nfs/dbraw/zinc/50/83/71/1045508371.db2.gz WKQRCJRRHAKIAI-LEWJYISDSA-N 1 2 318.420 4.161 20 30 DIEDLO Cc1cccn2c(/C=C3/C[C@@H](C)c4ccccc4C3=O)c[nH+]c12 ZINC000751534797 1045611952 /nfs/dbraw/zinc/61/19/52/1045611952.db2.gz FJHSEKYGCHAPPT-ADVGAGMGSA-N 1 2 302.377 4.416 20 30 DIEDLO CCc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)o1 ZINC000752237432 1045666536 /nfs/dbraw/zinc/66/65/36/1045666536.db2.gz GEAMIMSGTMJUJL-GQCTYLIASA-N 1 2 300.745 4.039 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cccc(C(F)(F)F)c1 ZINC000901417262 1045729035 /nfs/dbraw/zinc/72/90/35/1045729035.db2.gz LHBVVPXFDWCKNU-VOTSOKGWSA-N 1 2 308.303 4.379 20 30 DIEDLO Cc1ccc(OC(F)F)c(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901428502 1045731507 /nfs/dbraw/zinc/73/15/07/1045731507.db2.gz LRIKBWPNMSEYHE-AATRIKPKSA-N 1 2 320.339 4.270 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878671 1045740108 /nfs/dbraw/zinc/74/01/08/1045740108.db2.gz NNFFEFLGAWHOHH-IBGZPJMESA-N 1 2 316.408 4.162 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878671 1045740123 /nfs/dbraw/zinc/74/01/23/1045740123.db2.gz NNFFEFLGAWHOHH-IBGZPJMESA-N 1 2 316.408 4.162 20 30 DIEDLO C[C@H](c1ccco1)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191778686 1045749928 /nfs/dbraw/zinc/74/99/28/1045749928.db2.gz MJOQZKCHQPNSRP-LLVKDONJSA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191778686 1045749941 /nfs/dbraw/zinc/74/99/41/1045749941.db2.gz MJOQZKCHQPNSRP-LLVKDONJSA-N 1 2 319.202 4.107 20 30 DIEDLO COc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c(Cl)c1 ZINC000901524184 1045756191 /nfs/dbraw/zinc/75/61/91/1045756191.db2.gz HYKFHPLGXUPWSZ-QPJJXVBHSA-N 1 2 304.777 4.022 20 30 DIEDLO Fc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F ZINC001138010996 1046053452 /nfs/dbraw/zinc/05/34/52/1046053452.db2.gz JIIIORVCGUPDOD-SECBINFHSA-N 1 2 315.232 4.229 20 30 DIEDLO Fc1c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F ZINC001138010996 1046053468 /nfs/dbraw/zinc/05/34/68/1046053468.db2.gz JIIIORVCGUPDOD-SECBINFHSA-N 1 2 315.232 4.229 20 30 DIEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cc(Cl)ccc1OC(F)F ZINC000903099834 1046163873 /nfs/dbraw/zinc/16/38/73/1046163873.db2.gz BFVNHWLWLYEMFE-VIFPVBQESA-N 1 2 302.752 4.142 20 30 DIEDLO O=C1c2ccc(F)cc2CC/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783710341 1046191049 /nfs/dbraw/zinc/19/10/49/1046191049.db2.gz GDWDSBWACUANES-JYRVWZFOSA-N 1 2 324.380 4.285 20 30 DIEDLO CC[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1cccc(C#N)c1 ZINC000903264747 1046212350 /nfs/dbraw/zinc/21/23/50/1046212350.db2.gz CJQZCPFZRCCFLI-AOIWGVFYSA-N 1 2 310.372 4.071 20 30 DIEDLO COc1ccc2c(C[N@H+](CCC#N)Cc3ccccc3)c[nH]c2c1 ZINC001138587386 1046236741 /nfs/dbraw/zinc/23/67/41/1046236741.db2.gz PIKPUNAMDGRNRC-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO COc1ccc2c(C[N@@H+](CCC#N)Cc3ccccc3)c[nH]c2c1 ZINC001138587386 1046236751 /nfs/dbraw/zinc/23/67/51/1046236751.db2.gz PIKPUNAMDGRNRC-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC001138665290 1046259280 /nfs/dbraw/zinc/25/92/80/1046259280.db2.gz LTLJNRYQSNHVSE-INIZCTEOSA-N 1 2 314.454 4.435 20 30 DIEDLO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC001138665290 1046259288 /nfs/dbraw/zinc/25/92/88/1046259288.db2.gz LTLJNRYQSNHVSE-INIZCTEOSA-N 1 2 314.454 4.435 20 30 DIEDLO C=C(C)COc1ccccc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001138661565 1046260336 /nfs/dbraw/zinc/26/03/36/1046260336.db2.gz CNCVNTMJZGHXIH-INIZCTEOSA-N 1 2 313.363 4.211 20 30 DIEDLO C=C(C)COc1ccccc1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001138661565 1046260343 /nfs/dbraw/zinc/26/03/43/1046260343.db2.gz CNCVNTMJZGHXIH-INIZCTEOSA-N 1 2 313.363 4.211 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000758723520 1046288154 /nfs/dbraw/zinc/28/81/54/1046288154.db2.gz XIGPRMIDDBLCBV-SIFCLUCFSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000758723520 1046288160 /nfs/dbraw/zinc/28/81/60/1046288160.db2.gz XIGPRMIDDBLCBV-SIFCLUCFSA-N 1 2 324.399 4.048 20 30 DIEDLO C=CCOc1ccccc1C[N@H+]1CCc2ccc(C(C)=O)cc2C1 ZINC001139030437 1046364788 /nfs/dbraw/zinc/36/47/88/1046364788.db2.gz NAUXMIKTHHGUBD-UHFFFAOYSA-N 1 2 321.420 4.012 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+]1CCc2ccc(C(C)=O)cc2C1 ZINC001139030437 1046364797 /nfs/dbraw/zinc/36/47/97/1046364797.db2.gz NAUXMIKTHHGUBD-UHFFFAOYSA-N 1 2 321.420 4.012 20 30 DIEDLO C=CCOc1ccccc1C[N@H+](C)Cc1ccc(F)cc1F ZINC001139030083 1046364884 /nfs/dbraw/zinc/36/48/84/1046364884.db2.gz GDNUPJJYHKHHOE-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc(F)cc1F ZINC001139030083 1046364895 /nfs/dbraw/zinc/36/48/95/1046364895.db2.gz GDNUPJJYHKHHOE-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=C(C)C[N@@H+](CC)Cc1csc(COc2ccc(F)cc2)n1 ZINC000052636250 1046381193 /nfs/dbraw/zinc/38/11/93/1046381193.db2.gz CNNJUPJUGCHSSU-UHFFFAOYSA-N 1 2 320.433 4.259 20 30 DIEDLO C=C(C)C[N@H+](CC)Cc1csc(COc2ccc(F)cc2)n1 ZINC000052636250 1046381200 /nfs/dbraw/zinc/38/12/00/1046381200.db2.gz CNNJUPJUGCHSSU-UHFFFAOYSA-N 1 2 320.433 4.259 20 30 DIEDLO CSc1ccc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)cc1 ZINC000749000502 1046423243 /nfs/dbraw/zinc/42/32/43/1046423243.db2.gz YKGYMMPPLVZSOI-DHZHZOJOSA-N 1 2 308.406 4.261 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)cc1F ZINC001139528140 1046463260 /nfs/dbraw/zinc/46/32/60/1046463260.db2.gz ZIFGNKVMBFPLQJ-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)cc1F ZINC001139528140 1046463264 /nfs/dbraw/zinc/46/32/64/1046463264.db2.gz ZIFGNKVMBFPLQJ-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000127049675 1046480748 /nfs/dbraw/zinc/48/07/48/1046480748.db2.gz CQAZYXVQGAQFMA-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001139879772 1046539147 /nfs/dbraw/zinc/53/91/47/1046539147.db2.gz SAGXCUIDVXAJND-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001139879772 1046539157 /nfs/dbraw/zinc/53/91/57/1046539157.db2.gz SAGXCUIDVXAJND-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO CCCCCCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001137330099 1046612930 /nfs/dbraw/zinc/61/29/30/1046612930.db2.gz BPJDCGXTRNKTIC-UHFFFAOYSA-N 1 2 301.434 4.433 20 30 DIEDLO O=C1c2ccccc2CC/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783696699 1046622265 /nfs/dbraw/zinc/62/22/65/1046622265.db2.gz KIPWOLNEKNAZSB-ZROIWOOFSA-N 1 2 306.390 4.146 20 30 DIEDLO Cc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c(C)c1 ZINC000783699636 1046623818 /nfs/dbraw/zinc/62/38/18/1046623818.db2.gz DXYXRVKOWDAIHD-GQCTYLIASA-N 1 2 308.406 4.447 20 30 DIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1F ZINC000783701094 1046624330 /nfs/dbraw/zinc/62/43/30/1046624330.db2.gz XHZWJIWEJKSFKC-DUXPYHPUSA-N 1 2 316.332 4.108 20 30 DIEDLO Cc1cccc2c1C/C(=C/c1cc(-n3cc[nH+]c3)cs1)C2=O ZINC000783706598 1046625107 /nfs/dbraw/zinc/62/51/07/1046625107.db2.gz JBXCNUKRIGAMGT-QPEQYQDCSA-N 1 2 306.390 4.065 20 30 DIEDLO Cc1cccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c1C ZINC000783706621 1046625138 /nfs/dbraw/zinc/62/51/38/1046625138.db2.gz JOKRIYXIUKQFDN-SREVYHEPSA-N 1 2 308.406 4.447 20 30 DIEDLO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2coc(CC)n2)cc1 ZINC000834898951 1046710175 /nfs/dbraw/zinc/71/01/75/1046710175.db2.gz CPTDWYJYYXNBHZ-ZDUSSCGKSA-N 1 2 320.820 4.219 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)cn1 ZINC001140544555 1046773878 /nfs/dbraw/zinc/77/38/78/1046773878.db2.gz TZDQLALMJBXXFD-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)cn1 ZINC001140544555 1046773887 /nfs/dbraw/zinc/77/38/87/1046773887.db2.gz TZDQLALMJBXXFD-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO CC[N@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1Cl ZINC001140602540 1046804756 /nfs/dbraw/zinc/80/47/56/1046804756.db2.gz MMGZMFXBWJFHOU-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC[N@@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1Cl ZINC001140602540 1046804777 /nfs/dbraw/zinc/80/47/77/1046804777.db2.gz MMGZMFXBWJFHOU-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC#Cc1ccccc1Cl ZINC000679542685 1046864271 /nfs/dbraw/zinc/86/42/71/1046864271.db2.gz BAWBEMLRSVCLAF-GXTWGEPZSA-N 1 2 315.766 4.354 20 30 DIEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC#Cc1ccccc1Cl ZINC000679542685 1046864292 /nfs/dbraw/zinc/86/42/92/1046864292.db2.gz BAWBEMLRSVCLAF-GXTWGEPZSA-N 1 2 315.766 4.354 20 30 DIEDLO C=CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1Br ZINC001140712396 1046871636 /nfs/dbraw/zinc/87/16/36/1046871636.db2.gz UOXSDUNIDKCRGX-UHFFFAOYSA-N 1 2 308.141 4.086 20 30 DIEDLO C=CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1Br ZINC001140712396 1046871655 /nfs/dbraw/zinc/87/16/55/1046871655.db2.gz UOXSDUNIDKCRGX-UHFFFAOYSA-N 1 2 308.141 4.086 20 30 DIEDLO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000798936457 1046990255 /nfs/dbraw/zinc/99/02/55/1046990255.db2.gz HPFVUFFAHJQZPE-ZJUUUORDSA-N 1 2 316.214 4.299 20 30 DIEDLO N#C[C@H]1CC[C@@H]([NH2+]c2ccc(N3CCc4sccc4C3)cc2)C1 ZINC000799724298 1047057142 /nfs/dbraw/zinc/05/71/42/1047057142.db2.gz KJBCZWXQYLRCAU-WMLDXEAASA-N 1 2 323.465 4.415 20 30 DIEDLO CN(Cc1ccccc1)c1ccc([NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000799724780 1047057864 /nfs/dbraw/zinc/05/78/64/1047057864.db2.gz RTDLQMVIYCTZFO-PKOBYXMFSA-N 1 2 305.425 4.427 20 30 DIEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)oc1C ZINC000799895337 1047069741 /nfs/dbraw/zinc/06/97/41/1047069741.db2.gz AHPSFANGMCRLOA-SNAWJCMRSA-N 1 2 300.745 4.094 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317425 1047088870 /nfs/dbraw/zinc/08/88/70/1047088870.db2.gz ZGGNHIGRCPFJJX-MRXNPFEDSA-N 1 2 310.372 4.354 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317425 1047088885 /nfs/dbraw/zinc/08/88/85/1047088885.db2.gz ZGGNHIGRCPFJJX-MRXNPFEDSA-N 1 2 310.372 4.354 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)c(Br)c1)C[C@H](C)C#N ZINC000537207006 1047150651 /nfs/dbraw/zinc/15/06/51/1047150651.db2.gz NKFYAMXHFIPAHT-SNVBAGLBSA-N 1 2 315.642 4.084 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)c(Br)c1)C[C@H](C)C#N ZINC000537207006 1047150656 /nfs/dbraw/zinc/15/06/56/1047150656.db2.gz NKFYAMXHFIPAHT-SNVBAGLBSA-N 1 2 315.642 4.084 20 30 DIEDLO COc1cc(CNc2cc(C)c3ccccc3[nH+]2)ccc1C#N ZINC001117687201 1047237943 /nfs/dbraw/zinc/23/79/43/1047237943.db2.gz BGQWRDXYTFUDPO-UHFFFAOYSA-N 1 2 303.365 4.036 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Cl)nc1 ZINC000796455841 1047296593 /nfs/dbraw/zinc/29/65/93/1047296593.db2.gz ZTCWMQUXMXNFHL-UHFFFAOYSA-N 1 2 318.852 4.091 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Cl)nc1 ZINC000796455841 1047296600 /nfs/dbraw/zinc/29/66/00/1047296600.db2.gz ZTCWMQUXMXNFHL-UHFFFAOYSA-N 1 2 318.852 4.091 20 30 DIEDLO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC(C)(C)C#N)cc1 ZINC000487254638 1047328371 /nfs/dbraw/zinc/32/83/71/1047328371.db2.gz YWVPNBIZJIONGE-UHFFFAOYSA-N 1 2 320.440 4.103 20 30 DIEDLO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2csnn2)cc1 ZINC000840886050 1047353162 /nfs/dbraw/zinc/35/31/62/1047353162.db2.gz MTFMYTQTGIGPFO-NEPJUHHUSA-N 1 2 323.849 4.081 20 30 DIEDLO CCOc1ccc(/C=[NH+]\CCc2c(C)[nH]c3ccccc32)c(O)c1 ZINC000726890212 1047387665 /nfs/dbraw/zinc/38/76/65/1047387665.db2.gz JNUYUYSBIOWFOO-BKUYFWCQSA-N 1 2 322.408 4.242 20 30 DIEDLO N#Cc1ccc2c(C[N@@H+]3Cc4cccc(Cl)c4C3)c[nH]c2c1 ZINC001142922691 1047514558 /nfs/dbraw/zinc/51/45/58/1047514558.db2.gz QSMQDVPUZQGZQV-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO N#Cc1ccc2c(C[N@H+]3Cc4cccc(Cl)c4C3)c[nH]c2c1 ZINC001142922691 1047514564 /nfs/dbraw/zinc/51/45/64/1047514564.db2.gz QSMQDVPUZQGZQV-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO COc1cc(C[N@H+](CCC#N)CC(C)(C)C)cc(Cl)c1OC ZINC000093101168 1047543013 /nfs/dbraw/zinc/54/30/13/1047543013.db2.gz KZCOCLRYRRPTBA-UHFFFAOYSA-N 1 2 324.852 4.119 20 30 DIEDLO COc1cc(C[N@@H+](CCC#N)CC(C)(C)C)cc(Cl)c1OC ZINC000093101168 1047543019 /nfs/dbraw/zinc/54/30/19/1047543019.db2.gz KZCOCLRYRRPTBA-UHFFFAOYSA-N 1 2 324.852 4.119 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001143288702 1047549341 /nfs/dbraw/zinc/54/93/41/1047549341.db2.gz UDNVTMSOWGZUJV-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001143288702 1047549345 /nfs/dbraw/zinc/54/93/45/1047549345.db2.gz UDNVTMSOWGZUJV-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCC(C)(C)C#N ZINC000538465310 1047680568 /nfs/dbraw/zinc/68/05/68/1047680568.db2.gz SZXTZYQXMWMQHX-CZUORRHYSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCC(C)(C)C#N ZINC000538465310 1047680570 /nfs/dbraw/zinc/68/05/70/1047680570.db2.gz SZXTZYQXMWMQHX-CZUORRHYSA-N 1 2 306.837 4.042 20 30 DIEDLO CN(CC/C=C/c1cccnc1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001155970947 1047694456 /nfs/dbraw/zinc/69/44/56/1047694456.db2.gz OEDKHBKWCZMQHX-GORDUTHDSA-N 1 2 314.392 4.041 20 30 DIEDLO Cc1ccc(Nc2cc(C#N)c(F)cc2Br)c(C)[nH+]1 ZINC001203376837 1047709187 /nfs/dbraw/zinc/70/91/87/1047709187.db2.gz UAFYZWOWBILZBA-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CC1 ZINC000538762908 1047711069 /nfs/dbraw/zinc/71/10/69/1047711069.db2.gz RCPUROTXZLVADP-JTQLQIEISA-N 1 2 314.763 4.065 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CC1 ZINC000538762908 1047711073 /nfs/dbraw/zinc/71/10/73/1047711073.db2.gz RCPUROTXZLVADP-JTQLQIEISA-N 1 2 314.763 4.065 20 30 DIEDLO C=CC[N@@H+](Cc1csc(-c2ccc(OCC)cc2)n1)C1CC1 ZINC000538957291 1047721443 /nfs/dbraw/zinc/72/14/43/1047721443.db2.gz VAPVNHRBBPLJFS-UHFFFAOYSA-N 1 2 314.454 4.359 20 30 DIEDLO C=CC[N@H+](Cc1csc(-c2ccc(OCC)cc2)n1)C1CC1 ZINC000538957291 1047721445 /nfs/dbraw/zinc/72/14/45/1047721445.db2.gz VAPVNHRBBPLJFS-UHFFFAOYSA-N 1 2 314.454 4.359 20 30 DIEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@H]3c3c(F)cccc3F)c12 ZINC001156949336 1047730449 /nfs/dbraw/zinc/73/04/49/1047730449.db2.gz YJPCELRKJVCNDB-HNNXBMFYSA-N 1 2 324.334 4.054 20 30 DIEDLO CC[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1cccc(C#N)c1O ZINC000927040323 1047771796 /nfs/dbraw/zinc/77/17/96/1047771796.db2.gz UMZCUWUYIPMGSO-GDBMZVCRSA-N 1 2 316.470 4.123 20 30 DIEDLO Cc1cccc2c(C)cc(NCc3ccc(C#N)c(F)c3)[nH+]c12 ZINC001159082481 1047811483 /nfs/dbraw/zinc/81/14/83/1047811483.db2.gz FZVQAJKTFPPAMV-UHFFFAOYSA-N 1 2 305.356 4.475 20 30 DIEDLO N#Cc1ccc(CNc2cc(-c3ccccc3)cc[nH+]2)cc1F ZINC001159082763 1047811688 /nfs/dbraw/zinc/81/16/88/1047811688.db2.gz PPNQYWUHNQXKSN-UHFFFAOYSA-N 1 2 303.340 4.371 20 30 DIEDLO COc1ccc2[nH+]c(NCc3ccc(C#N)s3)c(C)cc2c1 ZINC001159172667 1047817933 /nfs/dbraw/zinc/81/79/33/1047817933.db2.gz KZFKMTCPUBUZLZ-UHFFFAOYSA-N 1 2 309.394 4.097 20 30 DIEDLO CCC[N@H+](Cc1ccccc1F)Cc1cccc(F)c1C#N ZINC001182911025 1047861416 /nfs/dbraw/zinc/86/14/16/1047861416.db2.gz UKFZFIRHURZAEW-UHFFFAOYSA-N 1 2 300.352 4.249 20 30 DIEDLO CCC[N@@H+](Cc1ccccc1F)Cc1cccc(F)c1C#N ZINC001182911025 1047861433 /nfs/dbraw/zinc/86/14/33/1047861433.db2.gz UKFZFIRHURZAEW-UHFFFAOYSA-N 1 2 300.352 4.249 20 30 DIEDLO N#Cc1oc2ccccc2c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522621 1047884288 /nfs/dbraw/zinc/88/42/88/1047884288.db2.gz PLAOWCTVSICHDP-UHFFFAOYSA-N 1 2 318.380 4.433 20 30 DIEDLO N#Cc1cc(Cl)cc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523528 1047885447 /nfs/dbraw/zinc/88/54/47/1047885447.db2.gz MTFOMNBVVGJRPN-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO C=C(C)C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C(=O)OC ZINC001183323994 1047916769 /nfs/dbraw/zinc/91/67/69/1047916769.db2.gz JFOJPGJZDCRGIU-XIRDDKMYSA-N 1 2 321.848 4.074 20 30 DIEDLO C=C(Cl)C[C@@H]([NH2+][C@H](C)CCC1CCCC1)C(=O)OCC ZINC001183311835 1047917255 /nfs/dbraw/zinc/91/72/55/1047917255.db2.gz GWXDSJIZENCYGE-UKRRQHHQSA-N 1 2 301.858 4.009 20 30 DIEDLO C[N@H+](CCC(F)(F)F)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000553873167 1047960111 /nfs/dbraw/zinc/96/01/11/1047960111.db2.gz YZEJJTHXSNZZRJ-UHFFFAOYSA-N 1 2 321.211 4.368 20 30 DIEDLO C[N@@H+](CCC(F)(F)F)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000553873167 1047960119 /nfs/dbraw/zinc/96/01/19/1047960119.db2.gz YZEJJTHXSNZZRJ-UHFFFAOYSA-N 1 2 321.211 4.368 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N)cc(Cl)[nH+]1 ZINC001160180409 1047988935 /nfs/dbraw/zinc/98/89/35/1047988935.db2.gz AHQHOJYKFBOFMO-NSHDSACASA-N 1 2 303.793 4.055 20 30 DIEDLO Cc1c(Cl)c(C#N)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184964144 1048105935 /nfs/dbraw/zinc/10/59/35/1048105935.db2.gz HKORQZDVJQSTHC-UHFFFAOYSA-N 1 2 312.804 4.259 20 30 DIEDLO N#Cc1cccc(C(F)(F)F)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213032541 1048126912 /nfs/dbraw/zinc/12/69/12/1048126912.db2.gz KQBSAJIFJKXSEC-UHFFFAOYSA-N 1 2 302.259 4.197 20 30 DIEDLO N#Cc1cc(Nc2cccc3[nH+]c[nH]c32)cc(C(F)(F)F)c1 ZINC001213032418 1048127577 /nfs/dbraw/zinc/12/75/77/1048127577.db2.gz FAOIATDNVMYKDV-UHFFFAOYSA-N 1 2 302.259 4.197 20 30 DIEDLO N#Cc1cc(C(F)(F)F)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213032772 1048130860 /nfs/dbraw/zinc/13/08/60/1048130860.db2.gz XEGMNOKTTWYTDR-UHFFFAOYSA-N 1 2 302.259 4.197 20 30 DIEDLO CC(C)n1c[nH+]cc1CNc1nc(-c2cccs2)ccc1C#N ZINC001161568792 1048138667 /nfs/dbraw/zinc/13/86/67/1048138667.db2.gz CAZNAIQUAVZIOU-UHFFFAOYSA-N 1 2 323.425 4.071 20 30 DIEDLO C=C1CC[NH+](Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774880973 1048182822 /nfs/dbraw/zinc/18/28/22/1048182822.db2.gz UVOXIMBPOPOULQ-UHFFFAOYSA-N 1 2 323.259 4.211 20 30 DIEDLO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)cs2)o1 ZINC000042123133 1048191328 /nfs/dbraw/zinc/19/13/28/1048191328.db2.gz QJZWHZQVMUYJML-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C#N)cc3)cs2)o1 ZINC000042123133 1048191336 /nfs/dbraw/zinc/19/13/36/1048191336.db2.gz QJZWHZQVMUYJML-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(NC3(CC4CCC4)CCOCC3)c2c1 ZINC001161919875 1048192805 /nfs/dbraw/zinc/19/28/05/1048192805.db2.gz CSLHWIDVAYZHSQ-UHFFFAOYSA-N 1 2 321.424 4.258 20 30 DIEDLO N#Cc1sc(-c2ccc(F)cc2)cc1Nc1ccc(N)[nH+]c1 ZINC001201271897 1048230382 /nfs/dbraw/zinc/23/03/82/1048230382.db2.gz GCIABUFVNMWQGT-UHFFFAOYSA-N 1 2 310.357 4.147 20 30 DIEDLO N#Cc1c(Nc2ccc(N3CCCC3)[nH+]c2)sc2c1CCCC2 ZINC001175343214 1048250451 /nfs/dbraw/zinc/25/04/51/1048250451.db2.gz AGXWRJYTEWJWNZ-UHFFFAOYSA-N 1 2 324.453 4.237 20 30 DIEDLO CN(C)c1ccc(Nc2ccc(Cl)c(Cl)c2C#N)c[nH+]1 ZINC001175346672 1048251917 /nfs/dbraw/zinc/25/19/17/1048251917.db2.gz XDHQMLSNFNXSNE-UHFFFAOYSA-N 1 2 307.184 4.070 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001201459394 1048268813 /nfs/dbraw/zinc/26/88/13/1048268813.db2.gz GDNSCBOIOXPJOY-CNYBTUBUSA-N 1 2 319.246 4.048 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001201459394 1048268821 /nfs/dbraw/zinc/26/88/21/1048268821.db2.gz GDNSCBOIOXPJOY-CNYBTUBUSA-N 1 2 319.246 4.048 20 30 DIEDLO C=C(C)C[N@@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000481210757 1048333749 /nfs/dbraw/zinc/33/37/49/1048333749.db2.gz MRTNJUVXXMPDMB-UHFFFAOYSA-N 1 2 322.861 4.383 20 30 DIEDLO C=C(C)C[N@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000481210757 1048333760 /nfs/dbraw/zinc/33/37/60/1048333760.db2.gz MRTNJUVXXMPDMB-UHFFFAOYSA-N 1 2 322.861 4.383 20 30 DIEDLO Cn1c[nH+]c2cc(Nc3ccc(C(F)(F)F)cc3C#N)ccc21 ZINC001201698607 1048347124 /nfs/dbraw/zinc/34/71/24/1048347124.db2.gz WZJDKBDIUPOFSK-UHFFFAOYSA-N 1 2 316.286 4.207 20 30 DIEDLO Cn1c2ccccc2[nH+]c1Nc1ccc(C(F)(F)F)cc1C#N ZINC001201683864 1048357130 /nfs/dbraw/zinc/35/71/30/1048357130.db2.gz ZZNOPIUAQGBBHL-UHFFFAOYSA-N 1 2 316.286 4.207 20 30 DIEDLO CC(C)[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1cccnc1 ZINC001163059364 1048410235 /nfs/dbraw/zinc/41/02/35/1048410235.db2.gz JLXOLILTICPJPM-SFHVURJKSA-N 1 2 302.381 4.311 20 30 DIEDLO Cc1c(F)cc[nH+]c1NCCC(C(F)(F)F)C(F)(F)F ZINC001163233324 1048443112 /nfs/dbraw/zinc/44/31/12/1048443112.db2.gz DMHYEWYQDYRICQ-UHFFFAOYSA-N 1 2 304.209 4.072 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000776253599 1048466971 /nfs/dbraw/zinc/46/69/71/1048466971.db2.gz SRKUMYZVNCBMAS-INIZCTEOSA-N 1 2 318.779 4.319 20 30 DIEDLO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cc(CC#N)cc[nH+]1 ZINC001163487257 1048477142 /nfs/dbraw/zinc/47/71/42/1048477142.db2.gz NLPORAFTGIHGPC-LJQANCHMSA-N 1 2 321.424 4.206 20 30 DIEDLO N#CC1(c2ccc(CNc3ccc([NH+]4CCCC4)cc3)cc2)CC1 ZINC000850044818 1048612688 /nfs/dbraw/zinc/61/26/88/1048612688.db2.gz WGOGALMUQMSKNB-UHFFFAOYSA-N 1 2 317.436 4.454 20 30 DIEDLO N#Cc1nc(Cl)ccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203712548 1048684274 /nfs/dbraw/zinc/68/42/74/1048684274.db2.gz JPMZYIWVYIYNBE-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO C=C(CC)C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001176463440 1048689618 /nfs/dbraw/zinc/68/96/18/1048689618.db2.gz DYQOXOXFTWEWQC-UHFFFAOYSA-N 1 2 314.654 4.427 20 30 DIEDLO C=C(CC)C[N@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001176463440 1048689626 /nfs/dbraw/zinc/68/96/26/1048689626.db2.gz DYQOXOXFTWEWQC-UHFFFAOYSA-N 1 2 314.654 4.427 20 30 DIEDLO C=C(C)Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001190211933 1048709429 /nfs/dbraw/zinc/70/94/29/1048709429.db2.gz UEHWQEHHUSAWFT-UHFFFAOYSA-N 1 2 317.392 4.243 20 30 DIEDLO COc1ccc2cc(NC(C)(C)c3ccc(C#N)cc3)[nH+]cc2c1 ZINC001165735193 1048710191 /nfs/dbraw/zinc/71/01/91/1048710191.db2.gz XOAHVKYQYNKGPQ-UHFFFAOYSA-N 1 2 317.392 4.462 20 30 DIEDLO N#Cc1ccc(Cl)nc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203717520 1048711099 /nfs/dbraw/zinc/71/10/99/1048711099.db2.gz FBKGSJGUSHOUBL-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO CN(Cc1ccc(Cl)cc1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166676785 1048780235 /nfs/dbraw/zinc/78/02/35/1048780235.db2.gz VRGZTXSEAXRLAL-UHFFFAOYSA-N 1 2 307.784 4.396 20 30 DIEDLO CN(Cc1cccc2cccnc21)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166689098 1048783838 /nfs/dbraw/zinc/78/38/38/1048783838.db2.gz ULAOZLUEXUTJQP-UHFFFAOYSA-N 1 2 324.387 4.291 20 30 DIEDLO CC(C)([NH2+]CC#Cc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000483716783 1048843904 /nfs/dbraw/zinc/84/39/04/1048843904.db2.gz WOLUVSBFDNOWBN-UHFFFAOYSA-N 1 2 324.371 4.038 20 30 DIEDLO Cc1ccccc1SC[C@H](C)C[N@H+](CC#N)C1CCCC1 ZINC001191112395 1048854804 /nfs/dbraw/zinc/85/48/04/1048854804.db2.gz MXXKQLDNIPROBJ-OAHLLOKOSA-N 1 2 302.487 4.491 20 30 DIEDLO Cc1ccccc1SC[C@H](C)C[N@@H+](CC#N)C1CCCC1 ZINC001191112395 1048854819 /nfs/dbraw/zinc/85/48/19/1048854819.db2.gz MXXKQLDNIPROBJ-OAHLLOKOSA-N 1 2 302.487 4.491 20 30 DIEDLO C#CCOc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC001203724220 1048982362 /nfs/dbraw/zinc/98/23/62/1048982362.db2.gz JFMBQSVRECHMBX-UHFFFAOYSA-N 1 2 306.409 4.433 20 30 DIEDLO COc1cc(C#N)cc(Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC001203724364 1048982596 /nfs/dbraw/zinc/98/25/96/1048982596.db2.gz KXBJSHYURYSAFZ-UHFFFAOYSA-N 1 2 307.397 4.301 20 30 DIEDLO N#CCC[NH2+]Cc1ccccc1Oc1ccc(F)c(Cl)c1 ZINC001204012193 1049060556 /nfs/dbraw/zinc/06/05/56/1049060556.db2.gz PTQLDEFPGIIYEJ-UHFFFAOYSA-N 1 2 304.752 4.275 20 30 DIEDLO CC[N@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1Cl ZINC001203764332 1049136377 /nfs/dbraw/zinc/13/63/77/1049136377.db2.gz MQHXATGZZSPFMT-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC[N@@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1Cl ZINC001203764332 1049136386 /nfs/dbraw/zinc/13/63/86/1049136386.db2.gz MQHXATGZZSPFMT-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CCCCCCC[C@H](C)NC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001192949679 1049152237 /nfs/dbraw/zinc/15/22/37/1049152237.db2.gz MSRPJEUWTSDHMO-HNNXBMFYSA-N 1 2 320.481 4.156 20 30 DIEDLO C[C@H](CC#N)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001179478472 1049170872 /nfs/dbraw/zinc/17/08/72/1049170872.db2.gz CAALJLFIMBRUIJ-LLVKDONJSA-N 1 2 308.303 4.357 20 30 DIEDLO CCCCCCCC[C@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857946521 1049213323 /nfs/dbraw/zinc/21/33/23/1049213323.db2.gz WFHGZXZSUBPCMK-IRXDYDNUSA-N 1 2 319.493 4.091 20 30 DIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1cccc(Cl)c1O ZINC001204900172 1049306719 /nfs/dbraw/zinc/30/67/19/1049306719.db2.gz XRPACBSQVCQLCK-UHFFFAOYSA-N 1 2 301.817 4.276 20 30 DIEDLO C=CC[N@H+](CCc1ccccc1)Cc1cccc(Cl)c1O ZINC001204900172 1049306730 /nfs/dbraw/zinc/30/67/30/1049306730.db2.gz XRPACBSQVCQLCK-UHFFFAOYSA-N 1 2 301.817 4.276 20 30 DIEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000027209626 1049411953 /nfs/dbraw/zinc/41/19/53/1049411953.db2.gz NOSMQLNQVQQDIX-KXBFYZLASA-N 1 2 323.827 4.463 20 30 DIEDLO CCCCCCC[C@@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001181122547 1049443452 /nfs/dbraw/zinc/44/34/52/1049443452.db2.gz MIGLMHGMBZWJDK-CVEARBPZSA-N 1 2 305.466 4.112 20 30 DIEDLO N#C[C@@]1(F)CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001205414201 1049463540 /nfs/dbraw/zinc/46/35/40/1049463540.db2.gz AAWFXUBYPNCVIC-NRFANRHFSA-N 1 2 322.427 4.026 20 30 DIEDLO N#C[C@@]1(F)CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001205414201 1049463547 /nfs/dbraw/zinc/46/35/47/1049463547.db2.gz AAWFXUBYPNCVIC-NRFANRHFSA-N 1 2 322.427 4.026 20 30 DIEDLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001195124114 1049479212 /nfs/dbraw/zinc/47/92/12/1049479212.db2.gz RTAKQJIDUADHSM-LJQANCHMSA-N 1 2 312.363 4.482 20 30 DIEDLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC001195124114 1049479216 /nfs/dbraw/zinc/47/92/16/1049479216.db2.gz RTAKQJIDUADHSM-LJQANCHMSA-N 1 2 312.363 4.482 20 30 DIEDLO CC(C)c1cccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c1 ZINC000863195835 1049541133 /nfs/dbraw/zinc/54/11/33/1049541133.db2.gz OCPXGDUFDYDICQ-HJWRWDBZSA-N 1 2 314.454 4.224 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3cc(O)ccc3c2)cc1C#N ZINC001205778526 1049561800 /nfs/dbraw/zinc/56/18/00/1049561800.db2.gz PJAASFBTTZFFJU-LPYMAVHISA-N 1 2 315.376 4.305 20 30 DIEDLO Cc1ccc(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)c(C)[nH+]1 ZINC001203370748 1049591952 /nfs/dbraw/zinc/59/19/52/1049591952.db2.gz UCIREUDXCVQAGJ-UHFFFAOYSA-N 1 2 323.787 4.153 20 30 DIEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)c1ccc(C#N)cc1 ZINC000794716770 1049684526 /nfs/dbraw/zinc/68/45/26/1049684526.db2.gz ZSWJAHUZBWWWHO-GFCCVEGCSA-N 1 2 313.788 4.014 20 30 DIEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000794721996 1049685474 /nfs/dbraw/zinc/68/54/74/1049685474.db2.gz XUDFSTMPKFAOCO-LBPRGKRZSA-N 1 2 313.788 4.014 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000489203594 1049733327 /nfs/dbraw/zinc/73/33/27/1049733327.db2.gz ZRQXDVPEAJZGOK-LBPRGKRZSA-N 1 2 319.861 4.072 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000489203594 1049733335 /nfs/dbraw/zinc/73/33/35/1049733335.db2.gz ZRQXDVPEAJZGOK-LBPRGKRZSA-N 1 2 319.861 4.072 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000489203593 1049733802 /nfs/dbraw/zinc/73/38/02/1049733802.db2.gz ZRQXDVPEAJZGOK-GFCCVEGCSA-N 1 2 319.861 4.072 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000489203593 1049733806 /nfs/dbraw/zinc/73/38/06/1049733806.db2.gz ZRQXDVPEAJZGOK-GFCCVEGCSA-N 1 2 319.861 4.072 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000055102602 1049914846 /nfs/dbraw/zinc/91/48/46/1049914846.db2.gz SGBXIYFDMBLQQB-HOTGVXAUSA-N 1 2 321.424 4.091 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000055102602 1049914854 /nfs/dbraw/zinc/91/48/54/1049914854.db2.gz SGBXIYFDMBLQQB-HOTGVXAUSA-N 1 2 321.424 4.091 20 30 DIEDLO N#Cc1ccc(C(F)(F)F)nc1Nc1ccc2c[nH+]ccc2c1 ZINC001210046828 1050128566 /nfs/dbraw/zinc/12/85/66/1050128566.db2.gz TWPPRJJFLUJSSL-UHFFFAOYSA-N 1 2 314.270 4.264 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(OCC3CC3)c2)cc1C#N ZINC001210051011 1050129536 /nfs/dbraw/zinc/12/95/36/1050129536.db2.gz IZPQDYKEMQXCQO-HYARGMPZSA-N 1 2 319.408 4.235 20 30 DIEDLO CC(C)c1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000347948059 1050163563 /nfs/dbraw/zinc/16/35/63/1050163563.db2.gz MLAWNCGYKZKXAF-UHFFFAOYSA-N 1 2 323.465 4.427 20 30 DIEDLO CC(C)c1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000347948059 1050163570 /nfs/dbraw/zinc/16/35/70/1050163570.db2.gz MLAWNCGYKZKXAF-UHFFFAOYSA-N 1 2 323.465 4.427 20 30 DIEDLO CCCc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000347983492 1050167988 /nfs/dbraw/zinc/16/79/88/1050167988.db2.gz BERFRWXGTQERLB-UHFFFAOYSA-N 1 2 323.465 4.257 20 30 DIEDLO CCCc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000347983492 1050167996 /nfs/dbraw/zinc/16/79/96/1050167996.db2.gz BERFRWXGTQERLB-UHFFFAOYSA-N 1 2 323.465 4.257 20 30 DIEDLO CCOc1ccc([C@@H]([NH2+]CCC#N)c2cccc(Cl)c2)cc1 ZINC000591757044 1050203830 /nfs/dbraw/zinc/20/38/30/1050203830.db2.gz TWHCBRICKFZROX-GOSISDBHSA-N 1 2 314.816 4.331 20 30 DIEDLO CCc1nc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)cs1 ZINC000573590558 1050218892 /nfs/dbraw/zinc/21/88/92/1050218892.db2.gz VVAYYBCWYKUPDE-GFCCVEGCSA-N 1 2 304.846 4.061 20 30 DIEDLO Cc1cc(C#N)ccc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001210371090 1050219329 /nfs/dbraw/zinc/21/93/29/1050219329.db2.gz GROQEFLDKLIDOQ-UHFFFAOYSA-N 1 2 324.384 4.352 20 30 DIEDLO CSc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1 ZINC000771852246 1050292492 /nfs/dbraw/zinc/29/24/92/1050292492.db2.gz YUUKZCGZPHMRTQ-TWGQIWQCSA-N 1 2 308.406 4.261 20 30 DIEDLO C=CC[N@@H+](Cc1cnn(CC(C)C)c1)Cc1ccc(Cl)s1 ZINC000574073925 1050368710 /nfs/dbraw/zinc/36/87/10/1050368710.db2.gz VARAALJSAQVILT-UHFFFAOYSA-N 1 2 323.893 4.442 20 30 DIEDLO C=CC[N@H+](Cc1cnn(CC(C)C)c1)Cc1ccc(Cl)s1 ZINC000574073925 1050368720 /nfs/dbraw/zinc/36/87/20/1050368720.db2.gz VARAALJSAQVILT-UHFFFAOYSA-N 1 2 323.893 4.442 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000735620383 1050412050 /nfs/dbraw/zinc/41/20/50/1050412050.db2.gz YUDLLQSGNMRBGD-QYMMGNSUSA-N 1 2 319.445 4.051 20 30 DIEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1O ZINC000735618966 1050412247 /nfs/dbraw/zinc/41/22/47/1050412247.db2.gz HWRFNWNYSPVUIG-KUDSMGGUSA-N 1 2 319.445 4.051 20 30 DIEDLO C=C(Br)C[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000735744194 1050424348 /nfs/dbraw/zinc/42/43/48/1050424348.db2.gz PSGJEDYVLDXPLN-TZMCWYRMSA-N 1 2 312.276 4.074 20 30 DIEDLO C=C(Br)C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000735744194 1050424361 /nfs/dbraw/zinc/42/43/61/1050424361.db2.gz PSGJEDYVLDXPLN-TZMCWYRMSA-N 1 2 312.276 4.074 20 30 DIEDLO C=C(Br)C[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000735744191 1050425194 /nfs/dbraw/zinc/42/51/94/1050425194.db2.gz PSGJEDYVLDXPLN-OCCSQVGLSA-N 1 2 312.276 4.074 20 30 DIEDLO C=C(Br)C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000735744191 1050425198 /nfs/dbraw/zinc/42/51/98/1050425198.db2.gz PSGJEDYVLDXPLN-OCCSQVGLSA-N 1 2 312.276 4.074 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCCC1 ZINC000593653061 1050432206 /nfs/dbraw/zinc/43/22/06/1050432206.db2.gz ZWFBTUYNIJTGET-UHFFFAOYSA-N 1 2 309.388 4.061 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001143990807 1050432371 /nfs/dbraw/zinc/43/23/71/1050432371.db2.gz KKKGRZSOYSAQQI-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001143990807 1050432377 /nfs/dbraw/zinc/43/23/77/1050432377.db2.gz KKKGRZSOYSAQQI-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccccc1 ZINC000046517076 1050495978 /nfs/dbraw/zinc/49/59/78/1050495978.db2.gz BVXTVWQPPZSPFK-UHFFFAOYSA-N 1 2 319.408 4.233 20 30 DIEDLO C=CC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)Cc1ccccc1 ZINC000046517076 1050495988 /nfs/dbraw/zinc/49/59/88/1050495988.db2.gz BVXTVWQPPZSPFK-UHFFFAOYSA-N 1 2 319.408 4.233 20 30 DIEDLO Cc1cc(C[N@H+](CC#N)C2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000738255897 1050527308 /nfs/dbraw/zinc/52/73/08/1050527308.db2.gz DIJRWXZRKNDXKX-UHFFFAOYSA-N 1 2 300.446 4.266 20 30 DIEDLO Cc1cc(C[N@@H+](CC#N)C2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000738255897 1050527323 /nfs/dbraw/zinc/52/73/23/1050527323.db2.gz DIJRWXZRKNDXKX-UHFFFAOYSA-N 1 2 300.446 4.266 20 30 DIEDLO CC[N@@H+](Cc1cnc(-c2ccc(C)c(C)c2)s1)C[C@@H](C)C#N ZINC000594602944 1050534961 /nfs/dbraw/zinc/53/49/61/1050534961.db2.gz PJRDVOSXDKOUJO-ZDUSSCGKSA-N 1 2 313.470 4.409 20 30 DIEDLO CC[N@H+](Cc1cnc(-c2ccc(C)c(C)c2)s1)C[C@@H](C)C#N ZINC000594602944 1050534964 /nfs/dbraw/zinc/53/49/64/1050534964.db2.gz PJRDVOSXDKOUJO-ZDUSSCGKSA-N 1 2 313.470 4.409 20 30 DIEDLO Cc1cc[nH+]c2cc(Nc3cc(C#N)cc([N+](=O)[O-])c3)ccc12 ZINC001211333019 1050548527 /nfs/dbraw/zinc/54/85/27/1050548527.db2.gz PDMWJAFWAZFIQF-UHFFFAOYSA-N 1 2 304.309 4.067 20 30 DIEDLO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171167803 1050550574 /nfs/dbraw/zinc/55/05/74/1050550574.db2.gz YLQNFQGAUHMHCO-RISCZKNCSA-N 1 2 309.240 4.086 20 30 DIEDLO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171167803 1050550585 /nfs/dbraw/zinc/55/05/85/1050550585.db2.gz YLQNFQGAUHMHCO-RISCZKNCSA-N 1 2 309.240 4.086 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3csc(Cl)c3)n21 ZINC000787185911 1050569236 /nfs/dbraw/zinc/56/92/36/1050569236.db2.gz JUNGANXGAAVULS-AATRIKPKSA-N 1 2 302.786 4.254 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCCCC1 ZINC000594980954 1050588193 /nfs/dbraw/zinc/58/81/93/1050588193.db2.gz DMXNBRYTRNMFLW-UHFFFAOYSA-N 1 2 323.415 4.451 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1cc(Cl)ccc1OC(F)F ZINC000739913918 1050595275 /nfs/dbraw/zinc/59/52/75/1050595275.db2.gz CNBCXTMQDBVXNC-UHFFFAOYSA-N 1 2 316.779 4.313 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(Cl)ccc1OC(F)F ZINC000739913918 1050595291 /nfs/dbraw/zinc/59/52/91/1050595291.db2.gz CNBCXTMQDBVXNC-UHFFFAOYSA-N 1 2 316.779 4.313 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc2c(c1)CCCC2 ZINC000740764721 1050625437 /nfs/dbraw/zinc/62/54/37/1050625437.db2.gz CRMLBWFTIUIWHX-ZHACJKMWSA-N 1 2 302.377 4.109 20 30 DIEDLO CCCOc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000740764329 1050625458 /nfs/dbraw/zinc/62/54/58/1050625458.db2.gz RLPFUIVSUFCITQ-FLIBITNWSA-N 1 2 306.365 4.019 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000595615321 1050656911 /nfs/dbraw/zinc/65/69/11/1050656911.db2.gz PVGXSCXZPZVRJU-CYBMUJFWSA-N 1 2 315.417 4.075 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000595615321 1050656919 /nfs/dbraw/zinc/65/69/19/1050656919.db2.gz PVGXSCXZPZVRJU-CYBMUJFWSA-N 1 2 315.417 4.075 20 30 DIEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611115 1050657804 /nfs/dbraw/zinc/65/78/04/1050657804.db2.gz HDAAYAMODYROGP-QWHCGFSZSA-N 1 2 318.371 4.118 20 30 DIEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611115 1050657812 /nfs/dbraw/zinc/65/78/12/1050657812.db2.gz HDAAYAMODYROGP-QWHCGFSZSA-N 1 2 318.371 4.118 20 30 DIEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CCC(C)(C)C#N ZINC000595772934 1050665567 /nfs/dbraw/zinc/66/55/67/1050665567.db2.gz KPDQNPDLNSFQQV-CJNGLKHVSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CCC(C)(C)C#N ZINC000595772934 1050665576 /nfs/dbraw/zinc/66/55/76/1050665576.db2.gz KPDQNPDLNSFQQV-CJNGLKHVSA-N 1 2 306.837 4.042 20 30 DIEDLO CC[N@H+](CC/C=C\c1ccc(Br)cc1)[C@H](C)C#N ZINC000595813405 1050668745 /nfs/dbraw/zinc/66/87/45/1050668745.db2.gz MHURDPNMWRWOCE-RYWCDNDXSA-N 1 2 307.235 4.086 20 30 DIEDLO CC[N@@H+](CC/C=C\c1ccc(Br)cc1)[C@H](C)C#N ZINC000595813405 1050668751 /nfs/dbraw/zinc/66/87/51/1050668751.db2.gz MHURDPNMWRWOCE-RYWCDNDXSA-N 1 2 307.235 4.086 20 30 DIEDLO Cc1cc(C)c(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)c[nH+]1 ZINC001213508023 1050676330 /nfs/dbraw/zinc/67/63/30/1050676330.db2.gz JSTOJIRGDGEQSF-UHFFFAOYSA-N 1 2 323.787 4.153 20 30 DIEDLO Cc1ccc2c(c1Br)C[N@@H+](CCC(C)(C)C#N)C2 ZINC000595874258 1050676502 /nfs/dbraw/zinc/67/65/02/1050676502.db2.gz TVPOUXZANHGXGO-UHFFFAOYSA-N 1 2 307.235 4.013 20 30 DIEDLO Cc1ccc2c(c1Br)C[N@H+](CCC(C)(C)C#N)C2 ZINC000595874258 1050676514 /nfs/dbraw/zinc/67/65/14/1050676514.db2.gz TVPOUXZANHGXGO-UHFFFAOYSA-N 1 2 307.235 4.013 20 30 DIEDLO Cc1cc(C)c(Nc2cc(C#N)c(F)cc2Br)c[nH+]1 ZINC001213518342 1050677384 /nfs/dbraw/zinc/67/73/84/1050677384.db2.gz IWXIAKIIBVEHFZ-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO Cc1cc(C)c(Nc2ccc(N3CCCCC3)c(C#N)c2)c[nH+]1 ZINC001213518560 1050680001 /nfs/dbraw/zinc/68/00/01/1050680001.db2.gz VGXOOFKDYPYMLM-UHFFFAOYSA-N 1 2 306.413 4.304 20 30 DIEDLO Cc1cccn2c(/C=C3\Cc4c(cccc4Cl)C3=O)c[nH+]c12 ZINC000741466857 1050682355 /nfs/dbraw/zinc/68/23/55/1050682355.db2.gz AOVKKELDBHNWFJ-XYOKQWHBSA-N 1 2 308.768 4.119 20 30 DIEDLO Cc1c[nH+]cc(Nc2ccc(Br)c(C#N)c2)c1C ZINC001213530927 1050682782 /nfs/dbraw/zinc/68/27/82/1050682782.db2.gz QDCKTOLYIINJBA-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1c[nH+]cc(Nc2cccc(C#N)c2Br)c1C ZINC001213533952 1050682948 /nfs/dbraw/zinc/68/29/48/1050682948.db2.gz DPJBONNPGWQFKD-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3cc(C)c(F)c(C)c3)c[nH+]c12 ZINC000741466691 1050683376 /nfs/dbraw/zinc/68/33/76/1050683376.db2.gz AZPMDVYSDQIEDF-SREVYHEPSA-N 1 2 308.356 4.295 20 30 DIEDLO Cc1cccn2c(/C=C3/CSc4ccc(F)cc4C3=O)c[nH+]c12 ZINC000741471469 1050684782 /nfs/dbraw/zinc/68/47/82/1050684782.db2.gz MTOGBIBVYLVOKB-GHXNOFRVSA-N 1 2 324.380 4.154 20 30 DIEDLO COc1cc(N[NH+]=C(C)c2ccccc2N(C)C)ccc1Cl ZINC000788472026 1050685640 /nfs/dbraw/zinc/68/56/40/1050685640.db2.gz OHESGQGAXLRQKC-UHFFFAOYSA-N 1 2 317.820 4.251 20 30 DIEDLO COc1cc(N[NH+]=C(C)c2ccc(N)cc2Cl)ccc1Cl ZINC000788472001 1050686102 /nfs/dbraw/zinc/68/61/02/1050686102.db2.gz NHOVRMDTCWGGNM-UHFFFAOYSA-N 1 2 324.211 4.420 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc(F)c(F)c1 ZINC000737445084 1050734225 /nfs/dbraw/zinc/73/42/25/1050734225.db2.gz XYNRNMNSKBJXCO-HWKANZROSA-N 1 2 318.710 4.162 20 30 DIEDLO C[C@H](CCc1cccn1C)/[NH+]=C\c1c(O)ccc2ccccc12 ZINC000741842103 1050751697 /nfs/dbraw/zinc/75/16/97/1050751697.db2.gz DZVZHPFLTACMHP-XWCAUFEOSA-N 1 2 306.409 4.324 20 30 DIEDLO C[C@H](CCc1cccn1C)/[NH+]=C/c1c(O)ccc2ccccc12 ZINC000741842101 1050751834 /nfs/dbraw/zinc/75/18/34/1050751834.db2.gz DZVZHPFLTACMHP-HFITWMCCSA-N 1 2 306.409 4.324 20 30 DIEDLO CN(c1ccc(Nc2c(N)cccc2C#N)c[nH+]1)C1CCCCC1 ZINC001212615019 1050754062 /nfs/dbraw/zinc/75/40/62/1050754062.db2.gz CJXIKOHYKWUODB-UHFFFAOYSA-N 1 2 321.428 4.048 20 30 DIEDLO Cc1ncsc1-c1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000597026890 1050800053 /nfs/dbraw/zinc/80/00/53/1050800053.db2.gz RXGHVAXTYGBAQD-ZDUSSCGKSA-N 1 2 311.454 4.243 20 30 DIEDLO Cc1ncsc1-c1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000597026890 1050800064 /nfs/dbraw/zinc/80/00/64/1050800064.db2.gz RXGHVAXTYGBAQD-ZDUSSCGKSA-N 1 2 311.454 4.243 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000597178434 1050822270 /nfs/dbraw/zinc/82/22/70/1050822270.db2.gz WXOFHXRTBDSINY-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000597178434 1050822283 /nfs/dbraw/zinc/82/22/83/1050822283.db2.gz WXOFHXRTBDSINY-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)c1cccc(C#N)c1 ZINC000789737956 1050880757 /nfs/dbraw/zinc/88/07/57/1050880757.db2.gz HPHNMEQEEKSGDW-GFCCVEGCSA-N 1 2 313.788 4.014 20 30 DIEDLO CCCCCCCCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000746863784 1050900462 /nfs/dbraw/zinc/90/04/62/1050900462.db2.gz BZKZFJXWRYYMQB-UHFFFAOYSA-N 1 2 320.477 4.416 20 30 DIEDLO CC[C@H](C)N[NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000790183318 1050928489 /nfs/dbraw/zinc/92/84/89/1050928489.db2.gz LVSUKBVYLTVGMB-JTQLQIEISA-N 1 2 308.838 4.262 20 30 DIEDLO N#Cc1cccc2c1C[N@H+](CCOc1cccc3ccccc31)C2 ZINC001171670457 1051188632 /nfs/dbraw/zinc/18/86/32/1051188632.db2.gz HAXQBRKSKWLIHG-UHFFFAOYSA-N 1 2 314.388 4.106 20 30 DIEDLO N#Cc1cccc2c1C[N@@H+](CCOc1cccc3ccccc31)C2 ZINC001171670457 1051188638 /nfs/dbraw/zinc/18/86/38/1051188638.db2.gz HAXQBRKSKWLIHG-UHFFFAOYSA-N 1 2 314.388 4.106 20 30 DIEDLO Cc1ccc(CC[C@H](C)[N@H+](CCC#N)Cc2cccnc2)cc1 ZINC001171670556 1051189175 /nfs/dbraw/zinc/18/91/75/1051189175.db2.gz LSAFMOPOLFNWLB-SFHVURJKSA-N 1 2 307.441 4.127 20 30 DIEDLO Cc1ccc(CC[C@H](C)[N@@H+](CCC#N)Cc2cccnc2)cc1 ZINC001171670556 1051189182 /nfs/dbraw/zinc/18/91/82/1051189182.db2.gz LSAFMOPOLFNWLB-SFHVURJKSA-N 1 2 307.441 4.127 20 30 DIEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(C#N)c(Cl)c1 ZINC000792640735 1051193926 /nfs/dbraw/zinc/19/39/26/1051193926.db2.gz DKFZUKDNAADISW-UHFFFAOYSA-N 1 2 324.815 4.015 20 30 DIEDLO COc1ccc(N[NH+]=C(C)c2ccc(N)cc2)c(C(F)(F)F)c1 ZINC000793098261 1051248066 /nfs/dbraw/zinc/24/80/66/1051248066.db2.gz KGOJDGOQSMRIJV-UHFFFAOYSA-N 1 2 323.318 4.132 20 30 DIEDLO C#CC[N@@H+](CC)Cc1cc2ccc(SC)cc2nc1Cl ZINC000746457723 1051423565 /nfs/dbraw/zinc/42/35/65/1051423565.db2.gz PBUJJMGQZCEQMA-UHFFFAOYSA-N 1 2 304.846 4.065 20 30 DIEDLO C#CC[N@H+](CC)Cc1cc2ccc(SC)cc2nc1Cl ZINC000746457723 1051423572 /nfs/dbraw/zinc/42/35/72/1051423572.db2.gz PBUJJMGQZCEQMA-UHFFFAOYSA-N 1 2 304.846 4.065 20 30 DIEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC[C@H](C#N)C1 ZINC001172577045 1051463468 /nfs/dbraw/zinc/46/34/68/1051463468.db2.gz HCZOOPCKHOHKBJ-NWDGAFQWSA-N 1 2 312.791 4.175 20 30 DIEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC[C@H](C#N)C1 ZINC001172577045 1051463475 /nfs/dbraw/zinc/46/34/75/1051463475.db2.gz HCZOOPCKHOHKBJ-NWDGAFQWSA-N 1 2 312.791 4.175 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901743 1051552094 /nfs/dbraw/zinc/55/20/94/1051552094.db2.gz KBIBDTMGHNAXTB-MRXNPFEDSA-N 1 2 314.360 4.129 20 30 DIEDLO Clc1ccc(C#CC[N@@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC001169217659 1051554722 /nfs/dbraw/zinc/55/47/22/1051554722.db2.gz OTVDVSWLXJIFKZ-UHFFFAOYSA-N 1 2 316.231 4.403 20 30 DIEDLO Clc1ccc(C#CC[N@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC001169217659 1051554737 /nfs/dbraw/zinc/55/47/37/1051554737.db2.gz OTVDVSWLXJIFKZ-UHFFFAOYSA-N 1 2 316.231 4.403 20 30 DIEDLO Cc1ccc(C)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001212699871 1051585528 /nfs/dbraw/zinc/58/55/28/1051585528.db2.gz ICPYSXMZDDHKHP-UHFFFAOYSA-N 1 2 302.381 4.164 20 30 DIEDLO N#CCc1ccc(NCCCc2ccc(C(F)(F)F)cc2)[nH+]c1 ZINC001169352011 1051599872 /nfs/dbraw/zinc/59/98/72/1051599872.db2.gz JYBBVSKWMMDVBP-UHFFFAOYSA-N 1 2 319.330 4.211 20 30 DIEDLO COc1cccc2[nH+]c(NC34CCC(C#N)(CC3)CC4)ccc21 ZINC001169746813 1051686314 /nfs/dbraw/zinc/68/63/14/1051686314.db2.gz PIUBAFMRHSUIPD-UHFFFAOYSA-N 1 2 307.397 4.272 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(Cl)c1O ZINC000806138682 1051738836 /nfs/dbraw/zinc/73/88/36/1051738836.db2.gz ZOHSHTBPLFUVJI-MRXNPFEDSA-N 1 2 318.779 4.297 20 30 DIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185743697 1051782369 /nfs/dbraw/zinc/78/23/69/1051782369.db2.gz PBGLXVAHIJQBHX-HZPDHXFCSA-N 1 2 315.486 4.043 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2ccc(SC(F)F)cc2)c1 ZINC000767290103 1051786174 /nfs/dbraw/zinc/78/61/74/1051786174.db2.gz GGMAFOIKZKBKJQ-UHFFFAOYSA-N 1 2 305.353 4.074 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)c(F)c1 ZINC000187374569 1051843228 /nfs/dbraw/zinc/84/32/28/1051843228.db2.gz WOMRBGKBMYMQAH-GOSISDBHSA-N 1 2 313.351 4.020 20 30 DIEDLO N#Cc1ccc(C[N@@H+](C/C=C/Cl)Cc2cccc(F)c2)cc1 ZINC000767888242 1051859949 /nfs/dbraw/zinc/85/99/49/1051859949.db2.gz BAJOBIKPIJYDCM-XNWCZRBMSA-N 1 2 314.791 4.452 20 30 DIEDLO N#Cc1ccc(C[N@H+](C/C=C/Cl)Cc2cccc(F)c2)cc1 ZINC000767888242 1051859956 /nfs/dbraw/zinc/85/99/56/1051859956.db2.gz BAJOBIKPIJYDCM-XNWCZRBMSA-N 1 2 314.791 4.452 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2cccc(Br)c2C#N)c1 ZINC000404500018 1051873650 /nfs/dbraw/zinc/87/36/50/1051873650.db2.gz XWWHVVKAPWFUEB-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO C=CC[N@@H+](Cc1cnc(Cl)c(C)c1)Cc1ccccc1F ZINC000769012864 1051993825 /nfs/dbraw/zinc/99/38/25/1051993825.db2.gz JOLYTTPNWZRDMN-UHFFFAOYSA-N 1 2 304.796 4.371 20 30 DIEDLO C=CC[N@H+](Cc1cnc(Cl)c(C)c1)Cc1ccccc1F ZINC000769012864 1051993833 /nfs/dbraw/zinc/99/38/33/1051993833.db2.gz JOLYTTPNWZRDMN-UHFFFAOYSA-N 1 2 304.796 4.371 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000769427035 1052045240 /nfs/dbraw/zinc/04/52/40/1052045240.db2.gz FMWYXFPKQFYKQR-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000769427035 1052045249 /nfs/dbraw/zinc/04/52/49/1052045249.db2.gz FMWYXFPKQFYKQR-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO O=C1c2cccc3c2[C@@H](CCC3)/C1=C/c1cccc2[nH+]ccn21 ZINC000769614581 1052088459 /nfs/dbraw/zinc/08/84/59/1052088459.db2.gz KXVROQBTVTUUCX-ZKMNFCBKSA-N 1 2 300.361 4.034 20 30 DIEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCCC2)ccc1Cl ZINC001174400789 1052123033 /nfs/dbraw/zinc/12/30/33/1052123033.db2.gz PZJWFEMRCXKBDX-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO COc1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)cc1C#N ZINC001174381769 1052140560 /nfs/dbraw/zinc/14/05/60/1052140560.db2.gz RYGPGHSCRAJASM-UHFFFAOYSA-N 1 2 306.369 4.241 20 30 DIEDLO COc1cccc(C#N)c1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174383293 1052143119 /nfs/dbraw/zinc/14/31/19/1052143119.db2.gz NGNDXYARXHMPJQ-UHFFFAOYSA-N 1 2 306.369 4.241 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3ccc(C#N)c(C#N)c3)ccc21 ZINC001174383696 1052143561 /nfs/dbraw/zinc/14/35/61/1052143561.db2.gz RBNDGVFAZHFAIB-UHFFFAOYSA-N 1 2 301.353 4.104 20 30 DIEDLO Cc1cccn2c(/C=C3\C(=O)c4cccc5c4[C@H]3CCC5)c[nH+]c12 ZINC000763289934 1052556112 /nfs/dbraw/zinc/55/61/12/1052556112.db2.gz OPXJFEWHLRMWHC-GYXHFJGISA-N 1 2 314.388 4.343 20 30 DIEDLO Cc1cccn2c(/C=C3/C(=O)c4cccc5c4[C@H]3CCC5)c[nH+]c12 ZINC000763289929 1052556705 /nfs/dbraw/zinc/55/67/05/1052556705.db2.gz OPXJFEWHLRMWHC-GYKGCMEESA-N 1 2 314.388 4.343 20 30 DIEDLO CCCCN[NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000915966080 1052576386 /nfs/dbraw/zinc/57/63/86/1052576386.db2.gz LRFYAYPGGDIWKC-UHFFFAOYSA-N 1 2 308.838 4.264 20 30 DIEDLO CN(C)c1ccc(C=[NH+]Nc2cccc(C(F)(F)F)c2)s1 ZINC000916259670 1052597284 /nfs/dbraw/zinc/59/72/84/1052597284.db2.gz DHHZJFXKKNNRNZ-UHFFFAOYSA-N 1 2 313.348 4.279 20 30 DIEDLO CC(=NNc1cc(C)ccc1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916345667 1052604801 /nfs/dbraw/zinc/60/48/01/1052604801.db2.gz LGRNIIHXKLJUFI-UHFFFAOYSA-N 1 2 304.397 4.325 20 30 DIEDLO CCN(CC)c1ncc(C=[NH+]Nc2cc(C)ccc2C)s1 ZINC000916346821 1052604986 /nfs/dbraw/zinc/60/49/86/1052604986.db2.gz WLJKDEMTSQTHNF-UHFFFAOYSA-N 1 2 302.447 4.052 20 30 DIEDLO N#CC1CC[NH+](Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000123735041 1052634385 /nfs/dbraw/zinc/63/43/85/1052634385.db2.gz IFDYMSIBPUGWND-UHFFFAOYSA-N 1 2 318.848 4.397 20 30 DIEDLO CNc1ccc(Nc2ccc(-c3ccc(C#N)cc3)cc2)c[nH+]1 ZINC001203454503 1052647056 /nfs/dbraw/zinc/64/70/56/1052647056.db2.gz GAPXLSROWFWKRQ-UHFFFAOYSA-N 1 2 300.365 4.406 20 30 DIEDLO CCCCCCCOC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC001224620311 1052710324 /nfs/dbraw/zinc/71/03/24/1052710324.db2.gz WJOQCXYQMSVVSR-UHFFFAOYSA-N 1 2 323.502 4.382 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3cc(-c4cccs4)on3)CC2)c1 ZINC000556513593 1052860229 /nfs/dbraw/zinc/86/02/29/1052860229.db2.gz YFXLPLGQKPOOOF-UHFFFAOYSA-N 1 2 321.405 4.054 20 30 DIEDLO C[N@H+](CC#Cc1ccccc1)[C@]1(c2ccccc2)CCCCC1=O ZINC000556533252 1052860553 /nfs/dbraw/zinc/86/05/53/1052860553.db2.gz HBSPAJHERSUUSC-QFIPXVFZSA-N 1 2 317.432 4.009 20 30 DIEDLO C[N@@H+](CC#Cc1ccccc1)[C@]1(c2ccccc2)CCCCC1=O ZINC000556533252 1052860558 /nfs/dbraw/zinc/86/05/58/1052860558.db2.gz HBSPAJHERSUUSC-QFIPXVFZSA-N 1 2 317.432 4.009 20 30 DIEDLO CCOc1cccc(/C=[NH+]\CCCSc2ccccc2)c1O ZINC000920944165 1052955976 /nfs/dbraw/zinc/95/59/76/1052955976.db2.gz IAWKDJPFWBIAPB-RGEXLXHISA-N 1 2 315.438 4.392 20 30 DIEDLO N#CC1(c2ccc(Nc3cc(OC(F)(F)F)cc[nH+]3)cc2)CC1 ZINC001212253188 1052965414 /nfs/dbraw/zinc/96/54/14/1052965414.db2.gz FOAQYZOMFHJLIL-UHFFFAOYSA-N 1 2 319.286 4.279 20 30 DIEDLO Cc1cc[nH+]c(C)c1O[C@H](C)C(F)(F)C(F)(F)C(F)(F)F ZINC001227259628 1052977151 /nfs/dbraw/zinc/97/71/51/1052977151.db2.gz KMYCZFDWHWJFFG-MRVPVSSYSA-N 1 2 319.220 4.299 20 30 DIEDLO N#CC[N@H+](CCCOc1cccc2ccccc21)C1CCCC1 ZINC000610003241 1053002492 /nfs/dbraw/zinc/00/24/92/1053002492.db2.gz GOVGQSQHIVCNGT-UHFFFAOYSA-N 1 2 308.425 4.377 20 30 DIEDLO N#CC[N@@H+](CCCOc1cccc2ccccc21)C1CCCC1 ZINC000610003241 1053002496 /nfs/dbraw/zinc/00/24/96/1053002496.db2.gz GOVGQSQHIVCNGT-UHFFFAOYSA-N 1 2 308.425 4.377 20 30 DIEDLO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179992244 1053038629 /nfs/dbraw/zinc/03/86/29/1053038629.db2.gz BLSZZZHIEIYYRH-UHFFFAOYSA-N 1 2 316.326 4.145 20 30 DIEDLO C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cc3c(cc2OC)CC[NH+]=C3)C1 ZINC001228089814 1053042725 /nfs/dbraw/zinc/04/27/25/1053042725.db2.gz KYCQBCMXCMQXFB-CRAIPNDOSA-N 1 2 311.425 4.350 20 30 DIEDLO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc3[nH]c(C)[nH+]c3c2)O1 ZINC001228325604 1053073634 /nfs/dbraw/zinc/07/36/34/1053073634.db2.gz BLCOTHLIUOJNDH-WMZOPIPTSA-N 1 2 300.402 4.152 20 30 DIEDLO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccc3[nH]c(C)[nH+]c3c2)O1 ZINC001228325601 1053073693 /nfs/dbraw/zinc/07/36/93/1053073693.db2.gz BLCOTHLIUOJNDH-AEFFLSMTSA-N 1 2 300.402 4.152 20 30 DIEDLO Fc1cc(F)c(N[NH+]=Cc2ccc(N3CCCC3)cc2)cc1F ZINC001318530319 1053173159 /nfs/dbraw/zinc/17/31/59/1053173159.db2.gz XDRVPNYKESAOJM-UHFFFAOYSA-N 1 2 319.330 4.150 20 30 DIEDLO N#Cc1ccc(C[NH2+]Cc2csc(Cl)c2Cl)c(F)c1 ZINC000617789706 1053192410 /nfs/dbraw/zinc/19/24/10/1053192410.db2.gz NOTFHAAQVSUYQH-UHFFFAOYSA-N 1 2 315.200 4.355 20 30 DIEDLO C=CC[N@H+](Cc1cnc(C2CC2)s1)Cc1cccc(C#N)c1 ZINC000092504591 1053326927 /nfs/dbraw/zinc/32/69/27/1053326927.db2.gz MDXYXBGWZZHADP-UHFFFAOYSA-N 1 2 309.438 4.080 20 30 DIEDLO C=CC[N@@H+](Cc1cnc(C2CC2)s1)Cc1cccc(C#N)c1 ZINC000092504591 1053326941 /nfs/dbraw/zinc/32/69/41/1053326941.db2.gz MDXYXBGWZZHADP-UHFFFAOYSA-N 1 2 309.438 4.080 20 30 DIEDLO N#Cc1ccccc1CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC001320700411 1053355876 /nfs/dbraw/zinc/35/58/76/1053355876.db2.gz PFEQORNEZSGRTJ-UHFFFAOYSA-N 1 2 305.406 4.177 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000618904096 1053397561 /nfs/dbraw/zinc/39/75/61/1053397561.db2.gz MHTFAZFKFWGDFE-CYBMUJFWSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000618904096 1053397571 /nfs/dbraw/zinc/39/75/71/1053397571.db2.gz MHTFAZFKFWGDFE-CYBMUJFWSA-N 1 2 311.816 4.332 20 30 DIEDLO CCC(CC)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229766529 1053401225 /nfs/dbraw/zinc/40/12/25/1053401225.db2.gz PZYKUUPOLDDUFB-UHFFFAOYSA-N 1 2 320.396 4.144 20 30 DIEDLO Cc1cc(N[C@H](C)c2ccc(OCC#N)cc2)ccc1[NH+](C)C ZINC000182852533 1053531660 /nfs/dbraw/zinc/53/16/60/1053531660.db2.gz USXUGVAXBZKWLH-OAHLLOKOSA-N 1 2 309.413 4.137 20 30 DIEDLO COc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1F ZINC000619725147 1053541101 /nfs/dbraw/zinc/54/11/01/1053541101.db2.gz CBRRQYGWPRKDAC-ROUUACIJSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1F ZINC000619725147 1053541109 /nfs/dbraw/zinc/54/11/09/1053541109.db2.gz CBRRQYGWPRKDAC-ROUUACIJSA-N 1 2 324.399 4.106 20 30 DIEDLO CC(C)(C)c1nc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cs1 ZINC000619748989 1053555954 /nfs/dbraw/zinc/55/59/54/1053555954.db2.gz VHMLKMCUWUYXLV-UHFFFAOYSA-N 1 2 319.861 4.255 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1ccc(Br)c(Cl)c1 ZINC001231439674 1053755290 /nfs/dbraw/zinc/75/52/90/1053755290.db2.gz ZLIMJHQHLZSLLX-UHFFFAOYSA-N 1 2 315.642 4.228 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1ccc(Br)c(Cl)c1 ZINC001231439674 1053755282 /nfs/dbraw/zinc/75/52/82/1053755282.db2.gz ZLIMJHQHLZSLLX-UHFFFAOYSA-N 1 2 315.642 4.228 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cc(Cl)ccc1Cl ZINC001326684731 1053798379 /nfs/dbraw/zinc/79/83/79/1053798379.db2.gz MFHLKOMKYKMQIM-YVMONPNESA-N 1 2 321.207 4.351 20 30 DIEDLO CCOc1ncccc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001231765513 1053853859 /nfs/dbraw/zinc/85/38/59/1053853859.db2.gz WXHUMGOWLPNJFO-UHFFFAOYSA-N 1 2 315.461 4.309 20 30 DIEDLO CCOc1ncccc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001231765513 1053853870 /nfs/dbraw/zinc/85/38/70/1053853870.db2.gz WXHUMGOWLPNJFO-UHFFFAOYSA-N 1 2 315.461 4.309 20 30 DIEDLO C=CC[NH+](CC=C)Cc1c(SC(C)C)nc2sccn21 ZINC001231779956 1053857162 /nfs/dbraw/zinc/85/71/62/1053857162.db2.gz JOSFVUZDNLLYAY-UHFFFAOYSA-N 1 2 307.488 4.070 20 30 DIEDLO C[N@H+](CCC#N)Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001231814773 1053875915 /nfs/dbraw/zinc/87/59/15/1053875915.db2.gz CEWWJYXIAVNBOM-UHFFFAOYSA-N 1 2 300.789 4.478 20 30 DIEDLO C[N@@H+](CCC#N)Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001231814773 1053875930 /nfs/dbraw/zinc/87/59/30/1053875930.db2.gz CEWWJYXIAVNBOM-UHFFFAOYSA-N 1 2 300.789 4.478 20 30 DIEDLO N#CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc2c[nH]nc21 ZINC001231973894 1053925279 /nfs/dbraw/zinc/92/52/79/1053925279.db2.gz NNZAGVIDSFUZND-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cccc2c[nH]nc21 ZINC001231973894 1053925294 /nfs/dbraw/zinc/92/52/94/1053925294.db2.gz NNZAGVIDSFUZND-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO CCCCCCC[N@H+](C)Cc1c(F)cncc1Br ZINC001232126786 1053967440 /nfs/dbraw/zinc/96/74/40/1053967440.db2.gz CKFCEJZWLUIKRB-UHFFFAOYSA-N 1 2 317.246 4.385 20 30 DIEDLO CCCCCCC[N@@H+](C)Cc1c(F)cncc1Br ZINC001232126786 1053967453 /nfs/dbraw/zinc/96/74/53/1053967453.db2.gz CKFCEJZWLUIKRB-UHFFFAOYSA-N 1 2 317.246 4.385 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001232137221 1053969383 /nfs/dbraw/zinc/96/93/83/1053969383.db2.gz PGEKDDXPPXSCNJ-UHFFFAOYSA-N 1 2 317.795 4.277 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001232137221 1053969397 /nfs/dbraw/zinc/96/93/97/1053969397.db2.gz PGEKDDXPPXSCNJ-UHFFFAOYSA-N 1 2 317.795 4.277 20 30 DIEDLO COc1ccc(OC(C)C)c(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001232391523 1054037508 /nfs/dbraw/zinc/03/75/08/1054037508.db2.gz BOQUWCNRFVCLFH-UHFFFAOYSA-N 1 2 316.445 4.141 20 30 DIEDLO COc1ccc(OC(C)C)c(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001232391523 1054037519 /nfs/dbraw/zinc/03/75/19/1054037519.db2.gz BOQUWCNRFVCLFH-UHFFFAOYSA-N 1 2 316.445 4.141 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccccc2F)c1 ZINC001232680213 1054097589 /nfs/dbraw/zinc/09/75/89/1054097589.db2.gz ZCICUDDUPQOGLX-GOSISDBHSA-N 1 2 310.372 4.130 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2ccccc2F)c1 ZINC001232680213 1054097602 /nfs/dbraw/zinc/09/76/02/1054097602.db2.gz ZCICUDDUPQOGLX-GOSISDBHSA-N 1 2 310.372 4.130 20 30 DIEDLO CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678415 1054098066 /nfs/dbraw/zinc/09/80/66/1054098066.db2.gz YIHWPXFWWZTQES-KRWDZBQOSA-N 1 2 324.449 4.323 20 30 DIEDLO CSc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678415 1054098080 /nfs/dbraw/zinc/09/80/80/1054098080.db2.gz YIHWPXFWWZTQES-KRWDZBQOSA-N 1 2 324.449 4.323 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001232679494 1054098194 /nfs/dbraw/zinc/09/81/94/1054098194.db2.gz NAVCFFAVINJFET-QGZVFWFLSA-N 1 2 312.800 4.254 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001232679494 1054098207 /nfs/dbraw/zinc/09/82/07/1054098207.db2.gz NAVCFFAVINJFET-QGZVFWFLSA-N 1 2 312.800 4.254 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001232678469 1054098909 /nfs/dbraw/zinc/09/89/09/1054098909.db2.gz AJNZBIURLCMUJR-ZDUSSCGKSA-N 1 2 318.829 4.316 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001232678469 1054098921 /nfs/dbraw/zinc/09/89/21/1054098921.db2.gz AJNZBIURLCMUJR-ZDUSSCGKSA-N 1 2 318.829 4.316 20 30 DIEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c(C#N)c1 ZINC001232968252 1054163373 /nfs/dbraw/zinc/16/33/73/1054163373.db2.gz GJVMKTGESIMORL-LJQANCHMSA-N 1 2 312.363 4.482 20 30 DIEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c(C#N)c1 ZINC001232968252 1054163383 /nfs/dbraw/zinc/16/33/83/1054163383.db2.gz GJVMKTGESIMORL-LJQANCHMSA-N 1 2 312.363 4.482 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1O)Cc1c(Cl)cccc1Cl ZINC001233386088 1054257295 /nfs/dbraw/zinc/25/72/95/1054257295.db2.gz FVVXXQFZUAFKQP-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1O)Cc1c(Cl)cccc1Cl ZINC001233386088 1054257305 /nfs/dbraw/zinc/25/73/05/1054257305.db2.gz FVVXXQFZUAFKQP-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H](C)c1snnc1C)c1ccc(F)c(F)c1 ZINC001341139892 1054377991 /nfs/dbraw/zinc/37/79/91/1054377991.db2.gz UDSMFAGSPXEBPN-OTYXRUKQSA-N 1 2 309.385 4.093 20 30 DIEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001443932847 1054462636 /nfs/dbraw/zinc/46/26/36/1054462636.db2.gz ITCMBRNMQNUIGK-GOSISDBHSA-N 1 2 317.477 4.065 20 30 DIEDLO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccc(C(=[NH2+])OCC)cc2)O1 ZINC001234587624 1054550326 /nfs/dbraw/zinc/55/03/26/1054550326.db2.gz CHJCTDLIBKZOJY-VQIMIIECSA-N 1 2 317.429 4.330 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000178756844 1054659544 /nfs/dbraw/zinc/65/95/44/1054659544.db2.gz CLJYCCPBTAKMMF-QGZVFWFLSA-N 1 2 324.815 4.122 20 30 DIEDLO C=CCC[C@H]([NH2+]Cc1nc(CCC(C)C)no1)c1ccccc1 ZINC000180040097 1054727926 /nfs/dbraw/zinc/72/79/26/1054727926.db2.gz GQOXRRVFBGBAMD-KRWDZBQOSA-N 1 2 313.445 4.455 20 30 DIEDLO N#Cc1ccc(CC[NH2+][C@@H](c2cccc(Cl)c2)C(F)F)cc1 ZINC001473745490 1054758316 /nfs/dbraw/zinc/75/83/16/1054758316.db2.gz RFLBYOMDWAGGSR-INIZCTEOSA-N 1 2 320.770 4.350 20 30 DIEDLO Cc1cc(CNc2[nH+]c3ccccc3n2C2CC2)ccc1C#N ZINC000618615338 1054777620 /nfs/dbraw/zinc/77/76/20/1054777620.db2.gz UXVGUALAZUDFAS-UHFFFAOYSA-N 1 2 302.381 4.163 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cc4c(s3)CCC4)n21 ZINC000764431824 1055183923 /nfs/dbraw/zinc/18/39/23/1055183923.db2.gz GHMKPNQQCKVHPQ-CMDGGOBGSA-N 1 2 308.406 4.089 20 30 DIEDLO Cc1cccc(O)c1C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001237487691 1055458695 /nfs/dbraw/zinc/45/86/95/1055458695.db2.gz LALDBZMOURLNAX-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO Cc1cccc(O)c1C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001237487691 1055458702 /nfs/dbraw/zinc/45/87/02/1055458702.db2.gz LALDBZMOURLNAX-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)ccn1 ZINC001237470645 1055459439 /nfs/dbraw/zinc/45/94/39/1055459439.db2.gz UGZHHZRHCPJIND-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)ccn1 ZINC001237470645 1055459444 /nfs/dbraw/zinc/45/94/44/1055459444.db2.gz UGZHHZRHCPJIND-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c(F)cc1F ZINC001237530140 1055470267 /nfs/dbraw/zinc/47/02/67/1055470267.db2.gz MQCIIBZLBXTFNA-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c(F)cc1F ZINC001237530140 1055470271 /nfs/dbraw/zinc/47/02/71/1055470271.db2.gz MQCIIBZLBXTFNA-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#CCC1C[NH+](Cc2sc3ccccc3c2Br)C1 ZINC001237587768 1055479937 /nfs/dbraw/zinc/47/99/37/1055479937.db2.gz ISYKNHSCEMFISL-UHFFFAOYSA-N 1 2 321.243 4.009 20 30 DIEDLO N#CC1(c2ccc(CNc3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC001620853632 1055482963 /nfs/dbraw/zinc/48/29/63/1055482963.db2.gz QAWOJWYCSJFGKM-UHFFFAOYSA-N 1 2 314.392 4.040 20 30 DIEDLO N#Cc1cc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cs1 ZINC001620885675 1055512122 /nfs/dbraw/zinc/51/21/22/1055512122.db2.gz IVXTUDQYYAOLAG-SFHVURJKSA-N 1 2 323.396 4.033 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(Cl)c(F)c3)n2c1 ZINC000765612075 1055512661 /nfs/dbraw/zinc/51/26/61/1055512661.db2.gz DFUCIZMTQIKWGU-XQRVVYSFSA-N 1 2 314.747 4.331 20 30 DIEDLO C=CC[N@@H+](Cc1ncc(Cl)cc1Br)C(C)(C)C ZINC001237763540 1055526538 /nfs/dbraw/zinc/52/65/38/1055526538.db2.gz QLVKXXMQXITOEB-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO C=CC[N@H+](Cc1ncc(Cl)cc1Br)C(C)(C)C ZINC001237763540 1055526522 /nfs/dbraw/zinc/52/65/22/1055526522.db2.gz QLVKXXMQXITOEB-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)cc(Cl)c1O ZINC001237807259 1055533374 /nfs/dbraw/zinc/53/33/74/1055533374.db2.gz ZTHRCEKEFFIGAH-UHFFFAOYSA-N 1 2 305.780 4.373 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000765673163 1055539774 /nfs/dbraw/zinc/53/97/74/1055539774.db2.gz SZLKMPDBHWEFAY-UHFFFAOYSA-N 1 2 307.235 4.095 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1Cc2ccc(Br)cc2C1 ZINC000765673163 1055539786 /nfs/dbraw/zinc/53/97/86/1055539786.db2.gz SZLKMPDBHWEFAY-UHFFFAOYSA-N 1 2 307.235 4.095 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001237972744 1055567463 /nfs/dbraw/zinc/56/74/63/1055567463.db2.gz PJCSWYCVNDRMDP-ZDUSSCGKSA-N 1 2 315.417 4.075 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001237972744 1055567473 /nfs/dbraw/zinc/56/74/73/1055567473.db2.gz PJCSWYCVNDRMDP-ZDUSSCGKSA-N 1 2 315.417 4.075 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCSc3ccccc3C2)c(Cl)c1 ZINC001238084995 1055603356 /nfs/dbraw/zinc/60/33/56/1055603356.db2.gz SMIROQVNEQHROL-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCSc3ccccc3C2)c(Cl)c1 ZINC001238084995 1055603361 /nfs/dbraw/zinc/60/33/61/1055603361.db2.gz SMIROQVNEQHROL-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO CC(C)c1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1Cl ZINC001238224865 1055624798 /nfs/dbraw/zinc/62/47/98/1055624798.db2.gz WNTNHYYDNAJMAF-INIZCTEOSA-N 1 2 321.873 4.238 20 30 DIEDLO CC(C)c1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1Cl ZINC001238224865 1055624803 /nfs/dbraw/zinc/62/48/03/1055624803.db2.gz WNTNHYYDNAJMAF-INIZCTEOSA-N 1 2 321.873 4.238 20 30 DIEDLO COc1cc(C[N@H+](CCC#N)C2CCCCCCC2)cnc1F ZINC001238453364 1055663294 /nfs/dbraw/zinc/66/32/94/1055663294.db2.gz IKKRNWCHLKURHM-UHFFFAOYSA-N 1 2 319.424 4.058 20 30 DIEDLO COc1cc(C[N@@H+](CCC#N)C2CCCCCCC2)cnc1F ZINC001238453364 1055663298 /nfs/dbraw/zinc/66/32/98/1055663298.db2.gz IKKRNWCHLKURHM-UHFFFAOYSA-N 1 2 319.424 4.058 20 30 DIEDLO CC(C)c1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(Cl)n1 ZINC001238735004 1055736911 /nfs/dbraw/zinc/73/69/11/1055736911.db2.gz TWANWMSGQLFLEA-UHFFFAOYSA-N 1 2 313.832 4.362 20 30 DIEDLO CC(C)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Cl)n1 ZINC001238735004 1055736918 /nfs/dbraw/zinc/73/69/18/1055736918.db2.gz TWANWMSGQLFLEA-UHFFFAOYSA-N 1 2 313.832 4.362 20 30 DIEDLO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)c(OCc2ccccc2)cc1C ZINC001238764784 1055744101 /nfs/dbraw/zinc/74/41/01/1055744101.db2.gz ZWSXVIUVKKERLL-LJQANCHMSA-N 1 2 320.436 4.228 20 30 DIEDLO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)c(OCc2ccccc2)cc1C ZINC001238764784 1055744114 /nfs/dbraw/zinc/74/41/14/1055744114.db2.gz ZWSXVIUVKKERLL-LJQANCHMSA-N 1 2 320.436 4.228 20 30 DIEDLO C#CC[N@H+](Cc1cc(Cl)c(C)cc1Br)C(C)C ZINC001620603855 1055975561 /nfs/dbraw/zinc/97/55/61/1055975561.db2.gz UJNUIPPTERHIIH-UHFFFAOYSA-N 1 2 314.654 4.255 20 30 DIEDLO C#CC[N@@H+](Cc1cc(Cl)c(C)cc1Br)C(C)C ZINC001620603855 1055975566 /nfs/dbraw/zinc/97/55/66/1055975566.db2.gz UJNUIPPTERHIIH-UHFFFAOYSA-N 1 2 314.654 4.255 20 30 DIEDLO Cc1cc(C#N)ccc1C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000186277390 1056085391 /nfs/dbraw/zinc/08/53/91/1056085391.db2.gz JAYODLMDFYGVSZ-GOSISDBHSA-N 1 2 319.433 4.202 20 30 DIEDLO Cc1[nH]c(-c2ccc(NC(=O)C3(C#N)CCCCC3)cc2)[nH+]c1C ZINC000921666338 1056175716 /nfs/dbraw/zinc/17/57/16/1056175716.db2.gz ZRVXYXIMMWMPMK-UHFFFAOYSA-N 1 2 322.412 4.106 20 30 DIEDLO CCCC[N@H+](C)c1ccc(Nc2c(C#N)cccc2C#N)cc1 ZINC001611952846 1056212728 /nfs/dbraw/zinc/21/27/28/1056212728.db2.gz KTALYAHBRUSVEQ-UHFFFAOYSA-N 1 2 304.397 4.410 20 30 DIEDLO CCCC[N@@H+](C)c1ccc(Nc2c(C#N)cccc2C#N)cc1 ZINC001611952846 1056212738 /nfs/dbraw/zinc/21/27/38/1056212738.db2.gz KTALYAHBRUSVEQ-UHFFFAOYSA-N 1 2 304.397 4.410 20 30 DIEDLO C=CCC1(CNc2nc3ccccc3n3c[nH+]cc23)CCCC1 ZINC001612378629 1056281546 /nfs/dbraw/zinc/28/15/46/1056281546.db2.gz XONNBEYQXOHCLI-UHFFFAOYSA-N 1 2 306.413 4.431 20 30 DIEDLO N#CCc1ccc(-c2ccc3[nH+]ccn3c2)cc1C(F)(F)F ZINC001240219185 1056374930 /nfs/dbraw/zinc/37/49/30/1056374930.db2.gz DNUQXHIORMKNKN-UHFFFAOYSA-N 1 2 301.271 4.086 20 30 DIEDLO CN(C)c1[nH+]cc(CSc2ccc(C#N)cc2)c2ccccc21 ZINC001613488763 1056382241 /nfs/dbraw/zinc/38/22/41/1056382241.db2.gz UEGCUXMINXHGOU-UHFFFAOYSA-N 1 2 319.433 4.465 20 30 DIEDLO C#CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)CCCCC1 ZINC001584953311 1056450205 /nfs/dbraw/zinc/45/02/05/1056450205.db2.gz RGVMYJYVRYBGSW-UHFFFAOYSA-N 1 2 321.424 4.093 20 30 DIEDLO COc1cc(C)[nH+]c(CSc2c(Cl)cccc2C#N)c1 ZINC001614887094 1056456452 /nfs/dbraw/zinc/45/64/52/1056456452.db2.gz MPEWCQOHAYICEF-UHFFFAOYSA-N 1 2 304.802 4.216 20 30 DIEDLO C=CC[N@@H+](CC(=O)OCC)Cc1ccc(Cl)c2ccccc12 ZINC001615332192 1056493529 /nfs/dbraw/zinc/49/35/29/1056493529.db2.gz JGJHUQCYOHMFII-UHFFFAOYSA-N 1 2 317.816 4.044 20 30 DIEDLO C=CC[N@H+](CC(=O)OCC)Cc1ccc(Cl)c2ccccc12 ZINC001615332192 1056493536 /nfs/dbraw/zinc/49/35/36/1056493536.db2.gz JGJHUQCYOHMFII-UHFFFAOYSA-N 1 2 317.816 4.044 20 30 DIEDLO CCCCCCCC[NH2+]C1(C(=O)OCC)Cc2ccccc2C1 ZINC001615971527 1056601438 /nfs/dbraw/zinc/60/14/38/1056601438.db2.gz BQKQNMXWNUTYSY-UHFFFAOYSA-N 1 2 317.473 4.037 20 30 DIEDLO C=C(C)C[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001617303443 1056810010 /nfs/dbraw/zinc/81/00/10/1056810010.db2.gz UOLVCVHVCGNRSL-CQSZACIVSA-N 1 2 301.377 4.371 20 30 DIEDLO C=C(C)C[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001617303443 1056810018 /nfs/dbraw/zinc/81/00/18/1056810018.db2.gz UOLVCVHVCGNRSL-CQSZACIVSA-N 1 2 301.377 4.371 20 30 DIEDLO Cc1cc(N(C)C)[nH+]cc1-c1nc(-c2cccs2)ccc1C#N ZINC001241240035 1056975130 /nfs/dbraw/zinc/97/51/30/1056975130.db2.gz GYQDIPWHHUYAGS-UHFFFAOYSA-N 1 2 320.421 4.118 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3scnc3c2)cc1C#N ZINC001241869667 1057196608 /nfs/dbraw/zinc/19/66/08/1057196608.db2.gz LBJRMTRLKDLEKZ-VXLYETTFSA-N 1 2 306.394 4.056 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2cscc2Cl)C2CC2)cc1 ZINC000611254285 1057586459 /nfs/dbraw/zinc/58/64/59/1057586459.db2.gz PWCAXGLJSDQIKX-UHFFFAOYSA-N 1 2 302.830 4.438 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2cscc2Cl)C2CC2)cc1 ZINC000611254285 1057586461 /nfs/dbraw/zinc/58/64/61/1057586461.db2.gz PWCAXGLJSDQIKX-UHFFFAOYSA-N 1 2 302.830 4.438 20 30 DIEDLO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccc(C#N)c1 ZINC000611387164 1057594064 /nfs/dbraw/zinc/59/40/64/1057594064.db2.gz ZZAKKLJYASVBQL-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO C[C@@H]([NH2+][C@@H](CCc1ccccc1)C(F)F)c1cccc(C#N)c1 ZINC000611524509 1057605208 /nfs/dbraw/zinc/60/52/08/1057605208.db2.gz MVKVFYDLHUXZRP-KDOFPFPSSA-N 1 2 314.379 4.475 20 30 DIEDLO CC(=[NH+]Nc1ccc(C)cn1)c1ccc(N2CCCCC2)cc1 ZINC000727263163 1057644753 /nfs/dbraw/zinc/64/47/53/1057644753.db2.gz PRHUMHAWOXDKNS-UHFFFAOYSA-N 1 2 308.429 4.216 20 30 DIEDLO CSc1cc(C)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001243384142 1057666308 /nfs/dbraw/zinc/66/63/08/1057666308.db2.gz ISYGZBNAPPJMPK-UDWIEESQSA-N 1 2 309.438 4.477 20 30 DIEDLO N#CC1(c2ccc(-c3cc[nH+]c(N4CCCCC4)c3)cc2)CC1 ZINC001243419767 1057678065 /nfs/dbraw/zinc/67/80/65/1057678065.db2.gz DDPZDUDRJLAXFS-UHFFFAOYSA-N 1 2 303.409 4.294 20 30 DIEDLO CSc1ccc(C(C)=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147334 1057704406 /nfs/dbraw/zinc/70/44/06/1057704406.db2.gz BSXSDPBYBINOLK-UHFFFAOYSA-N 1 2 307.422 4.215 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(OC(C)C)cc1 ZINC000730148379 1057704481 /nfs/dbraw/zinc/70/44/81/1057704481.db2.gz RWXMZIXYEKVVFY-UHFFFAOYSA-N 1 2 319.408 4.280 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000732986470 1057795618 /nfs/dbraw/zinc/79/56/18/1057795618.db2.gz LYRDFTCBIFQXJN-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000732986470 1057795631 /nfs/dbraw/zinc/79/56/31/1057795631.db2.gz LYRDFTCBIFQXJN-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO COc1ccc2[nH+]cc(Cl)c(N3CCC(C)(C#N)CC3)c2c1 ZINC001120034403 1057795778 /nfs/dbraw/zinc/79/57/78/1057795778.db2.gz AOHKJGHIQXYYRJ-UHFFFAOYSA-N 1 2 315.804 4.027 20 30 DIEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1cccc(C2(C#N)CC2)c1 ZINC001244074401 1057859478 /nfs/dbraw/zinc/85/94/78/1057859478.db2.gz BZOVRSRGXPBLRT-UHFFFAOYSA-N 1 2 315.376 4.103 20 30 DIEDLO N#CCc1c[nH]c2cccc(-c3c[nH+]cn3Cc3ccccc3)c12 ZINC001245199107 1058126812 /nfs/dbraw/zinc/12/68/12/1058126812.db2.gz PNGQZKOFLLORIJ-UHFFFAOYSA-N 1 2 312.376 4.146 20 30 DIEDLO C=C(C)CCc1ccccc1-c1cncc(C[NH+]2CCOCC2)c1 ZINC001245251250 1058135596 /nfs/dbraw/zinc/13/55/96/1058135596.db2.gz SYACNKBVBAHZGR-UHFFFAOYSA-N 1 2 322.452 4.090 20 30 DIEDLO C#C[C@H](Nc1cc(CC)[nH+]c(CC)n1)c1ccc(Cl)cc1F ZINC001559187620 1059072005 /nfs/dbraw/zinc/07/20/05/1059072005.db2.gz BKCSZNBPEYLXAA-HNNXBMFYSA-N 1 2 317.795 4.180 20 30 DIEDLO CCc1cc(N[C@@H](CCCC#N)c2ccccc2)nc(CC)[nH+]1 ZINC001559199726 1059080693 /nfs/dbraw/zinc/08/06/93/1059080693.db2.gz FGWWTPTVTWUHOD-KRWDZBQOSA-N 1 2 308.429 4.448 20 30 DIEDLO CSc1ccc(CNc2cc(C)[nH+]c(C3CCC3)n2)cc1C#N ZINC001559278095 1059136843 /nfs/dbraw/zinc/13/68/43/1059136843.db2.gz NLLMOTJBIRYNCE-UHFFFAOYSA-N 1 2 324.453 4.258 20 30 DIEDLO C=CC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001559521943 1059318917 /nfs/dbraw/zinc/31/89/17/1059318917.db2.gz SIRPZUWAFFLATL-ABAIWWIYSA-N 1 2 300.229 4.331 20 30 DIEDLO C=CC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001559521943 1059318939 /nfs/dbraw/zinc/31/89/39/1059318939.db2.gz SIRPZUWAFFLATL-ABAIWWIYSA-N 1 2 300.229 4.331 20 30 DIEDLO CCCCCCCc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247543693 1059527296 /nfs/dbraw/zinc/52/72/96/1059527296.db2.gz YCKMZMYHNGOBCL-UHFFFAOYSA-N 1 2 310.401 4.435 20 30 DIEDLO N#CC1(CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)CCCCC1 ZINC001559719191 1059546333 /nfs/dbraw/zinc/54/63/33/1059546333.db2.gz WZYWLLQQACCVNZ-UHFFFAOYSA-N 1 2 307.441 4.390 20 30 DIEDLO N#CC1(CC[N@H+]2CCc3c4ccccc4[nH]c3C2)CCCCC1 ZINC001559719191 1059546349 /nfs/dbraw/zinc/54/63/49/1059546349.db2.gz WZYWLLQQACCVNZ-UHFFFAOYSA-N 1 2 307.441 4.390 20 30 DIEDLO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)c1ccc(C#N)cc1 ZINC001559944785 1059756319 /nfs/dbraw/zinc/75/63/19/1059756319.db2.gz AFPYLCZJGDDKHV-DNVCBOLYSA-N 1 2 317.392 4.181 20 30 DIEDLO CCCCCCC[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001526299804 1060183552 /nfs/dbraw/zinc/18/35/52/1060183552.db2.gz PPYILTSSYRBRKN-OAHLLOKOSA-N 1 2 301.434 4.061 20 30 DIEDLO Cc1cc(CNc2[nH+]c3ccccc3n2CC2CC2)ccc1C#N ZINC001560596158 1060409709 /nfs/dbraw/zinc/40/97/09/1060409709.db2.gz XYKJQJKXCJVCEM-UHFFFAOYSA-N 1 2 316.408 4.239 20 30 DIEDLO CN(c1ccc(Cc2ccc(C#N)cc2)c[nH+]1)C1CCCCC1 ZINC001250054049 1060570091 /nfs/dbraw/zinc/57/00/91/1060570091.db2.gz BFRAXOKWPAJKRR-UHFFFAOYSA-N 1 2 305.425 4.313 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCC[C@H](CC)CC1)C(=O)OCC ZINC001560967631 1060833314 /nfs/dbraw/zinc/83/33/14/1060833314.db2.gz MZPFUABTUISFKQ-KKUMJFAQSA-N 1 2 301.858 4.009 20 30 DIEDLO CCCOc1ccc2[nH+]c(CCc3ccc(C#N)cc3)n(C)c2c1 ZINC001250581475 1060914226 /nfs/dbraw/zinc/91/42/26/1060914226.db2.gz ABGZVIAFHXADHP-UHFFFAOYSA-N 1 2 319.408 4.019 20 30 DIEDLO CCCn1c2cc(OC)ccc2[nH+]c1CCc1ccc(C#N)cc1 ZINC001250581663 1060915456 /nfs/dbraw/zinc/91/54/56/1060915456.db2.gz KDYJLTJWBCJLMG-UHFFFAOYSA-N 1 2 319.408 4.112 20 30 DIEDLO CCOc1ccc2[nH+]c(CCc3ccc(C#N)cc3)n(CC)c2c1 ZINC001250581597 1060915675 /nfs/dbraw/zinc/91/56/75/1060915675.db2.gz HPQLFFOIJTYHOU-UHFFFAOYSA-N 1 2 319.408 4.112 20 30 DIEDLO CCCn1c2cc(OC)ccc2[nH+]c1CCc1cccc(C#N)c1 ZINC001250581653 1060915839 /nfs/dbraw/zinc/91/58/39/1060915839.db2.gz JUTXEYRMOAIDRA-UHFFFAOYSA-N 1 2 319.408 4.112 20 30 DIEDLO Cc1cccc2[nH+]c(CCc3ccc(C#N)cc3)n(C3CC3)c21 ZINC001250582212 1060917004 /nfs/dbraw/zinc/91/70/04/1060917004.db2.gz WJWKBURCVHHPON-UHFFFAOYSA-N 1 2 301.393 4.337 20 30 DIEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1ccccc1F)C1CCC1 ZINC001473276340 1061049689 /nfs/dbraw/zinc/04/96/89/1061049689.db2.gz BILCCAAHBSHGCL-UHFFFAOYSA-N 1 2 312.363 4.391 20 30 DIEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1F)C1CCC1 ZINC001473276340 1061049698 /nfs/dbraw/zinc/04/96/98/1061049698.db2.gz BILCCAAHBSHGCL-UHFFFAOYSA-N 1 2 312.363 4.391 20 30 DIEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1cc(F)c(F)c(F)c1 ZINC001473308134 1061070573 /nfs/dbraw/zinc/07/05/73/1061070573.db2.gz XFXUCUWMOXXAEY-UHFFFAOYSA-N 1 2 323.745 4.241 20 30 DIEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1cc(F)c(F)c(F)c1 ZINC001473308134 1061070591 /nfs/dbraw/zinc/07/05/91/1061070591.db2.gz XFXUCUWMOXXAEY-UHFFFAOYSA-N 1 2 323.745 4.241 20 30 DIEDLO C=C(Cl)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC001473362669 1061113585 /nfs/dbraw/zinc/11/35/85/1061113585.db2.gz FVYPHXRBUBGGNC-UHFFFAOYSA-N 1 2 312.638 4.291 20 30 DIEDLO C=C(Cl)C[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC001473362669 1061113591 /nfs/dbraw/zinc/11/35/91/1061113591.db2.gz FVYPHXRBUBGGNC-UHFFFAOYSA-N 1 2 312.638 4.291 20 30 DIEDLO C#CC[N@@H+](CC[C@@H](C)CCC=C(C)C)CC(=O)OC(C)(C)C ZINC001462412831 1061158791 /nfs/dbraw/zinc/15/87/91/1061158791.db2.gz URBGYDVYZBNQPQ-KRWDZBQOSA-N 1 2 307.478 4.036 20 30 DIEDLO C#CC[N@H+](CC[C@@H](C)CCC=C(C)C)CC(=O)OC(C)(C)C ZINC001462412831 1061158798 /nfs/dbraw/zinc/15/87/98/1061158798.db2.gz URBGYDVYZBNQPQ-KRWDZBQOSA-N 1 2 307.478 4.036 20 30 DIEDLO N#Cc1cncc(C[N@H+]2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001473472904 1061179559 /nfs/dbraw/zinc/17/95/59/1061179559.db2.gz CQCHJPDOMBURAZ-SFHVURJKSA-N 1 2 311.816 4.334 20 30 DIEDLO N#Cc1cncc(C[N@@H+]2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001473472904 1061179566 /nfs/dbraw/zinc/17/95/66/1061179566.db2.gz CQCHJPDOMBURAZ-SFHVURJKSA-N 1 2 311.816 4.334 20 30 DIEDLO C=CCCCCC[N@H+]1CCC[C@H]1c1ncc(Br)cn1 ZINC001473816428 1061422700 /nfs/dbraw/zinc/42/27/00/1061422700.db2.gz BELVIQOEUPRTHV-AWEZNQCLSA-N 1 2 324.266 4.122 20 30 DIEDLO C=CCCCCC[N@@H+]1CCC[C@H]1c1ncc(Br)cn1 ZINC001473816428 1061422707 /nfs/dbraw/zinc/42/27/07/1061422707.db2.gz BELVIQOEUPRTHV-AWEZNQCLSA-N 1 2 324.266 4.122 20 30 DIEDLO C=C(CC(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001464575299 1061608087 /nfs/dbraw/zinc/60/80/87/1061608087.db2.gz VHGFUIOZVAUVIT-UHFFFAOYSA-N 1 2 303.793 4.067 20 30 DIEDLO CCCC[N@H+](C)c1ccc(Nc2snc(C)c2C#N)cc1 ZINC001458165034 1061609592 /nfs/dbraw/zinc/60/95/92/1061609592.db2.gz CAHVQUCFHCXZEW-UHFFFAOYSA-N 1 2 300.431 4.303 20 30 DIEDLO CCCC[N@@H+](C)c1ccc(Nc2snc(C)c2C#N)cc1 ZINC001458165034 1061609607 /nfs/dbraw/zinc/60/96/07/1061609607.db2.gz CAHVQUCFHCXZEW-UHFFFAOYSA-N 1 2 300.431 4.303 20 30 DIEDLO CCCCCCCCCC[C@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001252980098 1061769282 /nfs/dbraw/zinc/76/92/82/1061769282.db2.gz QEBVLPZFKZXBTP-WMZOPIPTSA-N 1 2 322.493 4.439 20 30 DIEDLO CCCCCCCCCC[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC001252979270 1061770017 /nfs/dbraw/zinc/77/00/17/1061770017.db2.gz JNRNJNXWATVRDE-GOSISDBHSA-N 1 2 304.478 4.289 20 30 DIEDLO CCCCCCCCCC[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC001252979270 1061770038 /nfs/dbraw/zinc/77/00/38/1061770038.db2.gz JNRNJNXWATVRDE-GOSISDBHSA-N 1 2 304.478 4.289 20 30 DIEDLO C=C1CC[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC001459453620 1062150184 /nfs/dbraw/zinc/15/01/84/1062150184.db2.gz JAHGZMZGCFRQNM-UHFFFAOYSA-N 1 2 322.408 4.069 20 30 DIEDLO CC(C)([NH2+]Cc1ncc(-c2cccs2)o1)c1cccc(C#N)c1 ZINC001460412505 1062845738 /nfs/dbraw/zinc/84/57/38/1062845738.db2.gz AVLQUHGNUUOJOX-UHFFFAOYSA-N 1 2 323.421 4.300 20 30 DIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001460564609 1062915052 /nfs/dbraw/zinc/91/50/52/1062915052.db2.gz BOAQVGWDPDTXDF-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001460564609 1062915079 /nfs/dbraw/zinc/91/50/79/1062915079.db2.gz BOAQVGWDPDTXDF-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO C#CCOc1ccc(CNc2[nH+]c3ccccc3n2C(C)C)cc1 ZINC001461723915 1063678044 /nfs/dbraw/zinc/67/80/44/1063678044.db2.gz HCXXHUSCMVTHMD-UHFFFAOYSA-N 1 2 319.408 4.241 20 30 DIEDLO CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258709591 1063766271 /nfs/dbraw/zinc/76/62/71/1063766271.db2.gz LTMYLQVQTGWBRB-QZTJIDSGSA-N 1 2 315.482 4.062 20 30 DIEDLO CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258709591 1063766280 /nfs/dbraw/zinc/76/62/80/1063766280.db2.gz LTMYLQVQTGWBRB-QZTJIDSGSA-N 1 2 315.482 4.062 20 30 DIEDLO C[C@@H](Cc1cccc(Cl)c1)[N@H+](CCC#N)Cc1cccnc1 ZINC001258744676 1063794346 /nfs/dbraw/zinc/79/43/46/1063794346.db2.gz DSQPJIJHAZSFGT-HNNXBMFYSA-N 1 2 313.832 4.082 20 30 DIEDLO C[C@@H](Cc1cccc(Cl)c1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001258744676 1063794355 /nfs/dbraw/zinc/79/43/55/1063794355.db2.gz DSQPJIJHAZSFGT-HNNXBMFYSA-N 1 2 313.832 4.082 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc2c(n1)CCC2 ZINC001462020469 1063884539 /nfs/dbraw/zinc/88/45/39/1063884539.db2.gz NJYYTMXAXVZKGY-UHFFFAOYSA-N 1 2 318.873 4.473 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc2c(n1)CCC2 ZINC001462020469 1063884545 /nfs/dbraw/zinc/88/45/45/1063884545.db2.gz NJYYTMXAXVZKGY-UHFFFAOYSA-N 1 2 318.873 4.473 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1nc(C(C)(C)C)cs1 ZINC001262160530 1063957693 /nfs/dbraw/zinc/95/76/93/1063957693.db2.gz HXAGVJCQLJRXJP-RYUDHWBXSA-N 1 2 314.458 4.119 20 30 DIEDLO C=CCCC[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC001280275356 1064388259 /nfs/dbraw/zinc/38/82/59/1064388259.db2.gz DCAZYNJHQNKVPJ-GOSISDBHSA-N 1 2 319.408 4.413 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccccc1 ZINC001307631205 1065529118 /nfs/dbraw/zinc/52/91/18/1065529118.db2.gz BMXNOBBJEGTPQX-MRXNPFEDSA-N 1 2 305.208 4.243 20 30 DIEDLO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)c1cccc(C#N)c1 ZINC001307874399 1065664742 /nfs/dbraw/zinc/66/47/42/1065664742.db2.gz BTZFQIDWGJKNIX-KXBFYZLASA-N 1 2 317.392 4.181 20 30 DIEDLO N#Cc1cccc2c1C[N@H+](CCCSCc1ccccc1)C2 ZINC001307893312 1065669916 /nfs/dbraw/zinc/66/99/16/1065669916.db2.gz RFDIWCBORVUNAN-UHFFFAOYSA-N 1 2 308.450 4.197 20 30 DIEDLO N#Cc1cccc2c1C[N@@H+](CCCSCc1ccccc1)C2 ZINC001307893312 1065669920 /nfs/dbraw/zinc/66/99/20/1065669920.db2.gz RFDIWCBORVUNAN-UHFFFAOYSA-N 1 2 308.450 4.197 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC001308064624 1065747240 /nfs/dbraw/zinc/74/72/40/1065747240.db2.gz SBOBHGNRIPQIIB-QGZVFWFLSA-N 1 2 324.399 4.140 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC001308064624 1065747251 /nfs/dbraw/zinc/74/72/51/1065747251.db2.gz SBOBHGNRIPQIIB-QGZVFWFLSA-N 1 2 324.399 4.140 20 30 DIEDLO C[N@H+](CC#Cc1ccccc1)Cc1cccc(Cl)c1Cl ZINC001308602590 1066111982 /nfs/dbraw/zinc/11/19/82/1066111982.db2.gz DXLFNBIGMGDLQI-UHFFFAOYSA-N 1 2 304.220 4.477 20 30 DIEDLO C[N@@H+](CC#Cc1ccccc1)Cc1cccc(Cl)c1Cl ZINC001308602590 1066111985 /nfs/dbraw/zinc/11/19/85/1066111985.db2.gz DXLFNBIGMGDLQI-UHFFFAOYSA-N 1 2 304.220 4.477 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cs1 ZINC001308624234 1066123131 /nfs/dbraw/zinc/12/31/31/1066123131.db2.gz OWWUZQVNLWTLIJ-INIZCTEOSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cs1 ZINC001308624234 1066123135 /nfs/dbraw/zinc/12/31/35/1066123135.db2.gz OWWUZQVNLWTLIJ-INIZCTEOSA-N 1 2 304.365 4.235 20 30 DIEDLO C=CCCCC[C@H](C)[NH2+]c1ccc(N2CCOCC2)c(C)c1 ZINC001308635515 1066130315 /nfs/dbraw/zinc/13/03/15/1066130315.db2.gz NUIQMXMYURXLPQ-KRWDZBQOSA-N 1 2 302.462 4.378 20 30 DIEDLO Clc1ccccc1C1=CC[N@H+](CC#Cc2ccccc2)CC1 ZINC001308679666 1066153258 /nfs/dbraw/zinc/15/32/58/1066153258.db2.gz ZUGNAJXFTCUQRO-UHFFFAOYSA-N 1 2 307.824 4.481 20 30 DIEDLO Clc1ccccc1C1=CC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001308679666 1066153263 /nfs/dbraw/zinc/15/32/63/1066153263.db2.gz ZUGNAJXFTCUQRO-UHFFFAOYSA-N 1 2 307.824 4.481 20 30 DIEDLO C=CCC[C@H](CCC)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC001308730229 1066207580 /nfs/dbraw/zinc/20/75/80/1066207580.db2.gz FDGJPOYIRQOHSS-ZACQAIPSSA-N 1 2 317.477 4.242 20 30 DIEDLO Cc1cc(C)c2cc(NCc3cccc(F)c3C#N)ccc2[nH+]1 ZINC001308938668 1066408916 /nfs/dbraw/zinc/40/89/16/1066408916.db2.gz GXBQRNMECORNQE-UHFFFAOYSA-N 1 2 305.356 4.475 20 30 DIEDLO CCCCCCC[C@H](C)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001310675075 1066549907 /nfs/dbraw/zinc/54/99/07/1066549907.db2.gz MPOBRQGLHVGVKE-HNNXBMFYSA-N 1 2 316.449 4.452 20 30 DIEDLO N#CCCCSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000079366993 185167312 /nfs/dbraw/zinc/16/73/12/185167312.db2.gz JFVKBASEZWYOGJ-UHFFFAOYSA-N 1 2 318.405 4.432 20 30 DIEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343306477 335026527 /nfs/dbraw/zinc/02/65/27/335026527.db2.gz VHVGOCWLORQJJJ-QGZVFWFLSA-N 1 2 308.429 4.058 20 30 DIEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343306477 335026528 /nfs/dbraw/zinc/02/65/28/335026528.db2.gz VHVGOCWLORQJJJ-QGZVFWFLSA-N 1 2 308.429 4.058 20 30 DIEDLO C=CCC[C@@H]([NH2+]Cc1csc([C@H](C)OC)n1)c1ccco1 ZINC000286131378 335032712 /nfs/dbraw/zinc/03/27/12/335032712.db2.gz OMRGOOZPGCFMMV-GXTWGEPZSA-N 1 2 306.431 4.241 20 30 DIEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000287234440 335041906 /nfs/dbraw/zinc/04/19/06/335041906.db2.gz YJEDHULKUQIVME-PVUWLOKVSA-N 1 2 309.837 4.068 20 30 DIEDLO C=CCC[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccco1 ZINC000287342723 335045418 /nfs/dbraw/zinc/04/54/18/335045418.db2.gz GLJNXMGVBAXWFM-INIZCTEOSA-N 1 2 318.417 4.380 20 30 DIEDLO C[C@H]1C[C@H]([NH2+]c2ccc(OCc3cccc(C#N)c3)cc2)CCO1 ZINC000272696628 130053901 /nfs/dbraw/zinc/05/39/01/130053901.db2.gz VIDDKHHRLPWGOW-HNAYVOBHSA-N 1 2 322.408 4.117 20 30 DIEDLO N#Cc1cscc1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000340219243 131214077 /nfs/dbraw/zinc/21/40/77/131214077.db2.gz OXITUMYIHOQJDX-UHFFFAOYSA-N 1 2 321.361 4.059 20 30 DIEDLO CC[N@@H+](Cc1ccc(Br)cc1Cl)C[C@H](C)C#N ZINC000133680592 332141135 /nfs/dbraw/zinc/14/11/35/332141135.db2.gz GJLQUBQKHZNVSQ-SNVBAGLBSA-N 1 2 315.642 4.084 20 30 DIEDLO CC[N@H+](Cc1ccc(Br)cc1Cl)C[C@H](C)C#N ZINC000133680592 332141137 /nfs/dbraw/zinc/14/11/37/332141137.db2.gz GJLQUBQKHZNVSQ-SNVBAGLBSA-N 1 2 315.642 4.084 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccc(F)c(F)c1 ZINC000187766307 331528115 /nfs/dbraw/zinc/52/81/15/331528115.db2.gz ZSWNRCDEABJRJN-KRWDZBQOSA-N 1 2 305.372 4.149 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091982817 332099004 /nfs/dbraw/zinc/09/90/04/332099004.db2.gz VWVHYFPTSYDLTM-ZDUSSCGKSA-N 1 2 324.852 4.119 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091982817 332099005 /nfs/dbraw/zinc/09/90/05/332099005.db2.gz VWVHYFPTSYDLTM-ZDUSSCGKSA-N 1 2 324.852 4.119 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000093090369 332133829 /nfs/dbraw/zinc/13/38/29/332133829.db2.gz SGNKNKSKRZYDNK-LBPRGKRZSA-N 1 2 311.410 4.290 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000093090369 332133830 /nfs/dbraw/zinc/13/38/30/332133830.db2.gz SGNKNKSKRZYDNK-LBPRGKRZSA-N 1 2 311.410 4.290 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000093081395 332133896 /nfs/dbraw/zinc/13/38/96/332133896.db2.gz GNGXZLLLQCJACJ-MRXNPFEDSA-N 1 2 306.837 4.043 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000093081395 332133897 /nfs/dbraw/zinc/13/38/97/332133897.db2.gz GNGXZLLLQCJACJ-MRXNPFEDSA-N 1 2 306.837 4.043 20 30 DIEDLO FC(F)(F)c1ccc(C#CC[NH+]2Cc3ccccc3C2)cc1 ZINC000427007585 332164359 /nfs/dbraw/zinc/16/43/59/332164359.db2.gz IRBKNAPSSQDNTG-UHFFFAOYSA-N 1 2 301.311 4.073 20 30 DIEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000428255028 332188684 /nfs/dbraw/zinc/18/86/84/332188684.db2.gz IVWTVKUZPYFERR-ZWKOTPCHSA-N 1 2 323.440 4.378 20 30 DIEDLO Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000428255028 332188685 /nfs/dbraw/zinc/18/86/85/332188685.db2.gz IVWTVKUZPYFERR-ZWKOTPCHSA-N 1 2 323.440 4.378 20 30 DIEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)c(Cl)c1 ZINC000352834959 332383444 /nfs/dbraw/zinc/38/34/44/332383444.db2.gz MVTWAGINEJFUBH-MRVPVSSYSA-N 1 2 312.225 4.172 20 30 DIEDLO CC[C@H](C#N)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000122193387 332404683 /nfs/dbraw/zinc/40/46/83/332404683.db2.gz SILUGFFKFGQMGB-SJLPKXTDSA-N 1 2 303.409 4.192 20 30 DIEDLO C=C(C)C[C@H](C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425581334 335106505 /nfs/dbraw/zinc/10/65/05/335106505.db2.gz ZOEPPFIUMXIJPB-HNNXBMFYSA-N 1 2 323.440 4.427 20 30 DIEDLO C=CCC(C)(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000293576504 335109204 /nfs/dbraw/zinc/10/92/04/335109204.db2.gz WIMGTQSZPKLREH-UHFFFAOYSA-N 1 2 321.424 4.143 20 30 DIEDLO Cc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)c(C)[nH+]1 ZINC000176774516 333119376 /nfs/dbraw/zinc/11/93/76/333119376.db2.gz FYZWVOFSKVYINY-UHFFFAOYSA-N 1 2 324.384 4.025 20 30 DIEDLO C=C(Cl)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296336824 335143631 /nfs/dbraw/zinc/14/36/31/335143631.db2.gz PQUAFTZOKXHSRN-UHFFFAOYSA-N 1 2 310.772 4.094 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000343545639 335170987 /nfs/dbraw/zinc/17/09/87/335170987.db2.gz YYPXDHJZLDVJAL-WMZOPIPTSA-N 1 2 323.465 4.292 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000343545639 335170988 /nfs/dbraw/zinc/17/09/88/335170988.db2.gz YYPXDHJZLDVJAL-WMZOPIPTSA-N 1 2 323.465 4.292 20 30 DIEDLO Cc1ccc[nH+]c1[C@H]1CCC[C@H](Nc2cccc(OCC#N)c2)C1 ZINC000281497393 334126617 /nfs/dbraw/zinc/12/66/17/334126617.db2.gz GNQWLWGNUMKMSD-IRXDYDNUSA-N 1 2 321.424 4.431 20 30 DIEDLO CCCCCCCCCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000283690485 334141135 /nfs/dbraw/zinc/14/11/35/334141135.db2.gz AENOUEZUJGJIPZ-QGZVFWFLSA-N 1 2 315.465 4.019 20 30 DIEDLO CC(C)[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(C#N)cc1 ZINC000063750701 334351291 /nfs/dbraw/zinc/35/12/91/334351291.db2.gz TXAPRJFGVSBYMG-UHFFFAOYSA-N 1 2 311.429 4.254 20 30 DIEDLO CC(C)[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(C#N)cc1 ZINC000063750701 334351293 /nfs/dbraw/zinc/35/12/93/334351293.db2.gz TXAPRJFGVSBYMG-UHFFFAOYSA-N 1 2 311.429 4.254 20 30 DIEDLO C=CC1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112211715 334373864 /nfs/dbraw/zinc/37/38/64/334373864.db2.gz VATLCJNQSMCZEK-UHFFFAOYSA-N 1 2 323.396 4.304 20 30 DIEDLO N#CCc1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000342766951 334574660 /nfs/dbraw/zinc/57/46/60/334574660.db2.gz ZCOWXRPFBWMXCR-UHFFFAOYSA-N 1 2 306.365 4.141 20 30 DIEDLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328878397 334762878 /nfs/dbraw/zinc/76/28/78/334762878.db2.gz UPGYIGVQXIAIPZ-HRCADAONSA-N 1 2 301.434 4.057 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@H+](C)[C@@H](C)CC#N)cc2)cc1 ZINC000346144221 335381273 /nfs/dbraw/zinc/38/12/73/335381273.db2.gz RUKVDEMVBHPTBW-HNNXBMFYSA-N 1 2 310.397 4.221 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@@H+](C)[C@@H](C)CC#N)cc2)cc1 ZINC000346144221 335381274 /nfs/dbraw/zinc/38/12/74/335381274.db2.gz RUKVDEMVBHPTBW-HNNXBMFYSA-N 1 2 310.397 4.221 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc(OC(C)(C)C)n1 ZINC000351683650 336057894 /nfs/dbraw/zinc/05/78/94/336057894.db2.gz BKXQWMNIIODFFB-UHFFFAOYSA-N 1 2 303.450 4.021 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc(OC(C)(C)C)n1 ZINC000351683650 336057896 /nfs/dbraw/zinc/05/78/96/336057896.db2.gz BKXQWMNIIODFFB-UHFFFAOYSA-N 1 2 303.450 4.021 20 30 DIEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000332144331 336160149 /nfs/dbraw/zinc/16/01/49/336160149.db2.gz FTEKSTHYVSYQEV-NJZAAPMLSA-N 1 2 315.804 4.338 20 30 DIEDLO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000532572690 336256877 /nfs/dbraw/zinc/25/68/77/336256877.db2.gz CFCMTMMOGZQEAT-HNNXBMFYSA-N 1 2 318.461 4.084 20 30 DIEDLO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000532572690 336256878 /nfs/dbraw/zinc/25/68/78/336256878.db2.gz CFCMTMMOGZQEAT-HNNXBMFYSA-N 1 2 318.461 4.084 20 30 DIEDLO N#Cc1ccc(NCc2ccc(N3CCCCCC3)[nH+]c2)c(F)c1 ZINC000301168602 336292991 /nfs/dbraw/zinc/29/29/91/336292991.db2.gz WIBOPSXFODVAIE-UHFFFAOYSA-N 1 2 324.403 4.085 20 30 DIEDLO N#Cc1ccc(Cl)cc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301291038 336299126 /nfs/dbraw/zinc/29/91/26/336299126.db2.gz UKGNUEJBGGDJOY-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO Cn1c(CCCNc2cc(Cl)ccc2C#N)[nH+]c2ccccc21 ZINC000301568320 336315595 /nfs/dbraw/zinc/31/55/95/336315595.db2.gz LEHLWWODMNNLKU-UHFFFAOYSA-N 1 2 324.815 4.143 20 30 DIEDLO Cc1c[nH+]ccc1CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000301823502 336332519 /nfs/dbraw/zinc/33/25/19/336332519.db2.gz HVRDACHLIPCBQC-UHFFFAOYSA-N 1 2 322.799 4.118 20 30 DIEDLO N#Cc1cccc(C#N)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000302467708 336359358 /nfs/dbraw/zinc/35/93/58/336359358.db2.gz SWCUSVIIGIDSQW-UHFFFAOYSA-N 1 2 302.381 4.164 20 30 DIEDLO C=CCC[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000353658792 336432489 /nfs/dbraw/zinc/43/24/89/336432489.db2.gz PFGJYRDEZJVOPD-QGZVFWFLSA-N 1 2 320.396 4.163 20 30 DIEDLO N#Cc1csc(C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000356064166 336534212 /nfs/dbraw/zinc/53/42/12/336534212.db2.gz MVQHESCEOCZMGA-UHFFFAOYSA-N 1 2 319.433 4.217 20 30 DIEDLO N#Cc1cc(NCc2[nH+]ccn2Cc2ccccc2)ccc1Cl ZINC000357205915 336576926 /nfs/dbraw/zinc/57/69/26/336576926.db2.gz OUFSAAKIICZCHB-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO N#CCCCOc1cccc(CNc2c[nH+]c3c(c2)CCCC3)c1 ZINC000359822793 336688790 /nfs/dbraw/zinc/68/87/90/336688790.db2.gz RJMWJWDPILZQPF-UHFFFAOYSA-N 1 2 321.424 4.255 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ncc(-c2ccccc2)o1 ZINC000174061806 337139037 /nfs/dbraw/zinc/13/90/37/337139037.db2.gz LZZVRDYILLLXLN-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO CC(C)([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000177190055 337154117 /nfs/dbraw/zinc/15/41/17/337154117.db2.gz HWWSXZFLUXNVMF-UHFFFAOYSA-N 1 2 324.371 4.038 20 30 DIEDLO Cc1cccc2[nH+]c(CNc3ccccc3SCCC#N)cn21 ZINC000177235344 337154945 /nfs/dbraw/zinc/15/49/45/337154945.db2.gz OVJKVKYNBUZEAY-UHFFFAOYSA-N 1 2 322.437 4.261 20 30 DIEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000179899884 337171900 /nfs/dbraw/zinc/17/19/00/337171900.db2.gz IZPAVVFIUSUBGD-OZVIIMIRSA-N 1 2 319.836 4.311 20 30 DIEDLO C=C(C)C[C@@H](C)c1nc(CCn2c(C)[nH+]c3ccccc32)no1 ZINC000583778590 337332335 /nfs/dbraw/zinc/33/23/35/337332335.db2.gz AJJZORMHMUMSNQ-CYBMUJFWSA-N 1 2 310.401 4.040 20 30 DIEDLO Fc1ccc(C#CC[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000135569774 337452416 /nfs/dbraw/zinc/45/24/16/337452416.db2.gz MQRRRAFLQJUBRD-SFHVURJKSA-N 1 2 322.408 4.013 20 30 DIEDLO CC(C)CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC#N ZINC000426455545 338032689 /nfs/dbraw/zinc/03/26/89/338032689.db2.gz UDVBUXOFNYDNGF-UHFFFAOYSA-N 1 2 322.374 4.319 20 30 DIEDLO CC(C)CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC#N ZINC000426455545 338032690 /nfs/dbraw/zinc/03/26/90/338032690.db2.gz UDVBUXOFNYDNGF-UHFFFAOYSA-N 1 2 322.374 4.319 20 30 DIEDLO Cc1ccc(OC2CC[NH+](Cc3cccc(F)c3C#N)CC2)cc1 ZINC000428239401 338043818 /nfs/dbraw/zinc/04/38/18/338043818.db2.gz GXVDSARHBYXYQW-UHFFFAOYSA-N 1 2 324.399 4.049 20 30 DIEDLO CCCc1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000428255318 338044519 /nfs/dbraw/zinc/04/45/19/338044519.db2.gz JWWIDQGRDJCIHW-QZTJIDSGSA-N 1 2 323.440 4.207 20 30 DIEDLO CCCc1nc(C)c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000428255318 338044520 /nfs/dbraw/zinc/04/45/20/338044520.db2.gz JWWIDQGRDJCIHW-QZTJIDSGSA-N 1 2 323.440 4.207 20 30 DIEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc(F)c2C#N)s1 ZINC000428255956 338044841 /nfs/dbraw/zinc/04/48/41/338044841.db2.gz ZUYKWHXFXQNHQH-GFCCVEGCSA-N 1 2 317.433 4.218 20 30 DIEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(F)c2C#N)s1 ZINC000428255956 338044842 /nfs/dbraw/zinc/04/48/42/338044842.db2.gz ZUYKWHXFXQNHQH-GFCCVEGCSA-N 1 2 317.433 4.218 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(F)c1C#N ZINC000428467272 338053808 /nfs/dbraw/zinc/05/38/08/338053808.db2.gz XTUNERBUKPYYHM-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(F)c1C#N ZINC000428467272 338053809 /nfs/dbraw/zinc/05/38/09/338053809.db2.gz XTUNERBUKPYYHM-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO C=CC[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1cccc(C#N)c1 ZINC000429693043 338087541 /nfs/dbraw/zinc/08/75/41/338087541.db2.gz ATTKCCYSASGUNH-UHFFFAOYSA-N 1 2 309.413 4.032 20 30 DIEDLO C=CC[N@H+](Cc1cc(C(C)(C)C)on1)Cc1cccc(C#N)c1 ZINC000429693043 338087542 /nfs/dbraw/zinc/08/75/42/338087542.db2.gz ATTKCCYSASGUNH-UHFFFAOYSA-N 1 2 309.413 4.032 20 30 DIEDLO CC(C)[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccc(C#N)cc1 ZINC000151387937 338170781 /nfs/dbraw/zinc/17/07/81/338170781.db2.gz XPUNQYPVNUZSAN-UHFFFAOYSA-N 1 2 324.428 4.009 20 30 DIEDLO CC(C)[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccc(C#N)cc1 ZINC000151387937 338170782 /nfs/dbraw/zinc/17/07/82/338170782.db2.gz XPUNQYPVNUZSAN-UHFFFAOYSA-N 1 2 324.428 4.009 20 30 DIEDLO N#CCCC[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccccc1 ZINC000433031584 338177338 /nfs/dbraw/zinc/17/73/38/338177338.db2.gz ZNJUNPUXMYENMD-QGZVFWFLSA-N 1 2 324.428 4.252 20 30 DIEDLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433311947 338191323 /nfs/dbraw/zinc/19/13/23/338191323.db2.gz JNGQISKVYPWSPJ-LSDHHAIUSA-N 1 2 315.461 4.009 20 30 DIEDLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433311947 338191324 /nfs/dbraw/zinc/19/13/24/338191324.db2.gz JNGQISKVYPWSPJ-LSDHHAIUSA-N 1 2 315.461 4.009 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437897975 338324529 /nfs/dbraw/zinc/32/45/29/338324529.db2.gz PQBSZKQBTFOEJR-INIZCTEOSA-N 1 2 314.335 4.107 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437897975 338324530 /nfs/dbraw/zinc/32/45/30/338324530.db2.gz PQBSZKQBTFOEJR-INIZCTEOSA-N 1 2 314.335 4.107 20 30 DIEDLO C[C@@H](C#N)C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000438105883 338331793 /nfs/dbraw/zinc/33/17/93/338331793.db2.gz PTRJABHFVSDYBK-JTQLQIEISA-N 1 2 316.754 4.483 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000438105883 338331794 /nfs/dbraw/zinc/33/17/94/338331794.db2.gz PTRJABHFVSDYBK-JTQLQIEISA-N 1 2 316.754 4.483 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c(Cl)c1 ZINC000439447591 338369781 /nfs/dbraw/zinc/36/97/81/338369781.db2.gz RVASFHMLQMZGHP-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c(Cl)c1 ZINC000439447591 338369782 /nfs/dbraw/zinc/36/97/82/338369782.db2.gz RVASFHMLQMZGHP-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1Cl ZINC000439460527 338370197 /nfs/dbraw/zinc/37/01/97/338370197.db2.gz YJERZXJYDRZFGQ-UHFFFAOYSA-N 1 2 302.830 4.461 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1Cl ZINC000439460527 338370198 /nfs/dbraw/zinc/37/01/98/338370198.db2.gz YJERZXJYDRZFGQ-UHFFFAOYSA-N 1 2 302.830 4.461 20 30 DIEDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000459666367 339041578 /nfs/dbraw/zinc/04/15/78/339041578.db2.gz MICGFOFYCZAKPJ-CYBMUJFWSA-N 1 2 314.816 4.380 20 30 DIEDLO N#CC1(C[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)CC1 ZINC000463361724 339115746 /nfs/dbraw/zinc/11/57/46/339115746.db2.gz NPNZWQQYRUGMIW-UHFFFAOYSA-N 1 2 309.240 4.477 20 30 DIEDLO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C#N)C1CCCCC1 ZINC000463916765 339128947 /nfs/dbraw/zinc/12/89/47/339128947.db2.gz VPWUTSQYOUZYFA-OALUTQOASA-N 1 2 302.437 4.455 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1c(C)onc1CC ZINC000466811728 339217651 /nfs/dbraw/zinc/21/76/51/339217651.db2.gz IOIIFEKNZNHFGQ-UHFFFAOYSA-N 1 2 310.850 4.449 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1c(C)onc1CC ZINC000466811728 339217652 /nfs/dbraw/zinc/21/76/52/339217652.db2.gz IOIIFEKNZNHFGQ-UHFFFAOYSA-N 1 2 310.850 4.449 20 30 DIEDLO C=CCC(CC=C)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000467345834 339232932 /nfs/dbraw/zinc/23/29/32/339232932.db2.gz ILGIDQZUYXLTPT-UHFFFAOYSA-N 1 2 309.413 4.008 20 30 DIEDLO C=C1CC[NH+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000468272276 339258467 /nfs/dbraw/zinc/25/84/67/339258467.db2.gz UMDRQUIXBIXVNW-UHFFFAOYSA-N 1 2 302.805 4.455 20 30 DIEDLO C[C@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468279718 339258760 /nfs/dbraw/zinc/25/87/60/339258760.db2.gz ZDTDHPACINKAIS-LLVKDONJSA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468279718 339258761 /nfs/dbraw/zinc/25/87/61/339258761.db2.gz ZDTDHPACINKAIS-LLVKDONJSA-N 1 2 304.315 4.169 20 30 DIEDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000468998409 339277061 /nfs/dbraw/zinc/27/70/61/339277061.db2.gz PVWDBLVRVIURAV-GOSISDBHSA-N 1 2 310.372 4.043 20 30 DIEDLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000468998409 339277062 /nfs/dbraw/zinc/27/70/62/339277062.db2.gz PVWDBLVRVIURAV-GOSISDBHSA-N 1 2 310.372 4.043 20 30 DIEDLO CC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(F)(F)F ZINC000469296091 339285462 /nfs/dbraw/zinc/28/54/62/339285462.db2.gz SYTLYFHISXKNJN-PCKAHOCUSA-N 1 2 310.363 4.321 20 30 DIEDLO Cc1ccc2[nH]c(C[N@@H+](C)Cc3cc(C#N)ccc3F)cc2c1C ZINC000473144595 339382599 /nfs/dbraw/zinc/38/25/99/339382599.db2.gz YRBPUMHBMLWDLJ-UHFFFAOYSA-N 1 2 321.399 4.428 20 30 DIEDLO Cc1ccc2[nH]c(C[N@H+](C)Cc3cc(C#N)ccc3F)cc2c1C ZINC000473144595 339382600 /nfs/dbraw/zinc/38/26/00/339382600.db2.gz YRBPUMHBMLWDLJ-UHFFFAOYSA-N 1 2 321.399 4.428 20 30 DIEDLO C=CCCCCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000473681055 339390302 /nfs/dbraw/zinc/39/03/02/339390302.db2.gz IVAKPAOPPWRCGI-UHFFFAOYSA-N 1 2 311.385 4.352 20 30 DIEDLO Cc1ccc(CSc2nc3c(cc2C#N)CCCC3)c(C)[nH+]1 ZINC000479207633 339529148 /nfs/dbraw/zinc/52/91/48/339529148.db2.gz SDYBEOODLOABNH-UHFFFAOYSA-N 1 2 309.438 4.136 20 30 DIEDLO C=CC[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000487821215 339763833 /nfs/dbraw/zinc/76/38/33/339763833.db2.gz NMQCHEPXJKLPGR-IBGZPJMESA-N 1 2 317.392 4.171 20 30 DIEDLO CC(C)(C#N)c1ccccc1CSc1[nH+]cc2ccccn21 ZINC000488482960 339785016 /nfs/dbraw/zinc/78/50/16/339785016.db2.gz VVERTSYQUPPNSQ-UHFFFAOYSA-N 1 2 307.422 4.428 20 30 DIEDLO C=CCC[C@H](C(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccccc1 ZINC000488720920 339791394 /nfs/dbraw/zinc/79/13/94/339791394.db2.gz LITUIRKMDFOOTF-SFHVURJKSA-N 1 2 319.408 4.331 20 30 DIEDLO Cc1cc(C)c2c(c1)[N@@H+](CCCC1(C#N)CCOCC1)CCC2 ZINC000499513644 340038351 /nfs/dbraw/zinc/03/83/51/340038351.db2.gz GFVYXTNXHAEMAW-UHFFFAOYSA-N 1 2 312.457 4.157 20 30 DIEDLO Cc1cc(C)c2c(c1)[N@H+](CCCC1(C#N)CCOCC1)CCC2 ZINC000499513644 340038352 /nfs/dbraw/zinc/03/83/52/340038352.db2.gz GFVYXTNXHAEMAW-UHFFFAOYSA-N 1 2 312.457 4.157 20 30 DIEDLO Cc1cccc([N@@H+](CCCC2(C#N)CCOCC2)C(C)C)c1 ZINC000499515485 340038439 /nfs/dbraw/zinc/03/84/39/340038439.db2.gz PLIZJCCIKKVRSC-UHFFFAOYSA-N 1 2 300.446 4.310 20 30 DIEDLO Cc1cccc([N@H+](CCCC2(C#N)CCOCC2)C(C)C)c1 ZINC000499515485 340038440 /nfs/dbraw/zinc/03/84/40/340038440.db2.gz PLIZJCCIKKVRSC-UHFFFAOYSA-N 1 2 300.446 4.310 20 30 DIEDLO C[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)c2ccccc21 ZINC000499623356 340041297 /nfs/dbraw/zinc/04/12/97/340041297.db2.gz CBWREMVIPMSAOW-QGZVFWFLSA-N 1 2 312.457 4.491 20 30 DIEDLO C[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)c2ccccc21 ZINC000499623356 340041298 /nfs/dbraw/zinc/04/12/98/340041298.db2.gz CBWREMVIPMSAOW-QGZVFWFLSA-N 1 2 312.457 4.491 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000507221600 340214377 /nfs/dbraw/zinc/21/43/77/340214377.db2.gz MBKHILHHEQNEMB-ZDUSSCGKSA-N 1 2 324.815 4.052 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000507221600 340214378 /nfs/dbraw/zinc/21/43/78/340214378.db2.gz MBKHILHHEQNEMB-ZDUSSCGKSA-N 1 2 324.815 4.052 20 30 DIEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1Cl ZINC000507605686 340226006 /nfs/dbraw/zinc/22/60/06/340226006.db2.gz KVRPBLYWYTTYPK-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO C=CCCC[C@H](C)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000509329959 340266459 /nfs/dbraw/zinc/26/64/59/340266459.db2.gz CQNXRPJAEXBCHJ-HNNXBMFYSA-N 1 2 310.397 4.349 20 30 DIEDLO CC[N@@H+](Cc1cc(-c2ccccc2)ccc1OC)C[C@H](C)C#N ZINC000509808413 340279766 /nfs/dbraw/zinc/27/97/66/340279766.db2.gz QRBZXGPWFUABNO-MRXNPFEDSA-N 1 2 308.425 4.344 20 30 DIEDLO CC[N@H+](Cc1cc(-c2ccccc2)ccc1OC)C[C@H](C)C#N ZINC000509808413 340279767 /nfs/dbraw/zinc/27/97/67/340279767.db2.gz QRBZXGPWFUABNO-MRXNPFEDSA-N 1 2 308.425 4.344 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000509817294 340280059 /nfs/dbraw/zinc/28/00/59/340280059.db2.gz AXLDLIAKQRYJTI-CYBMUJFWSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000509817294 340280060 /nfs/dbraw/zinc/28/00/60/340280060.db2.gz AXLDLIAKQRYJTI-CYBMUJFWSA-N 1 2 316.351 4.349 20 30 DIEDLO C=CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1F ZINC000511536970 340329855 /nfs/dbraw/zinc/32/98/55/340329855.db2.gz MJJXWPWHZBRSEB-UHFFFAOYSA-N 1 2 301.409 4.035 20 30 DIEDLO C=CC[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1F ZINC000511536970 340329856 /nfs/dbraw/zinc/32/98/56/340329856.db2.gz MJJXWPWHZBRSEB-UHFFFAOYSA-N 1 2 301.409 4.035 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)ccc1F ZINC000512542761 340366168 /nfs/dbraw/zinc/36/61/68/340366168.db2.gz URUQTWRGGBAORO-UHFFFAOYSA-N 1 2 319.399 4.321 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)ccc1F ZINC000512542761 340366169 /nfs/dbraw/zinc/36/61/69/340366169.db2.gz URUQTWRGGBAORO-UHFFFAOYSA-N 1 2 319.399 4.321 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(F)cc1F ZINC000512542400 340366268 /nfs/dbraw/zinc/36/62/68/340366268.db2.gz OSPOSJHEQRXIJT-UHFFFAOYSA-N 1 2 319.399 4.321 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(F)cc1F ZINC000512542400 340366269 /nfs/dbraw/zinc/36/62/69/340366269.db2.gz OSPOSJHEQRXIJT-UHFFFAOYSA-N 1 2 319.399 4.321 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1nc2ccccc2nc1C ZINC000173554112 340367524 /nfs/dbraw/zinc/36/75/24/340367524.db2.gz PRLVMNBTAJWXSC-UHFFFAOYSA-N 1 2 310.445 4.090 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1nc2ccccc2nc1C ZINC000173554112 340367525 /nfs/dbraw/zinc/36/75/25/340367525.db2.gz PRLVMNBTAJWXSC-UHFFFAOYSA-N 1 2 310.445 4.090 20 30 DIEDLO C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC000512623226 340369580 /nfs/dbraw/zinc/36/95/80/340369580.db2.gz DRVPSMSIRLAGQW-JTQLQIEISA-N 1 2 306.743 4.341 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000512669202 340372167 /nfs/dbraw/zinc/37/21/67/340372167.db2.gz ZFQYVBBJIPQLBV-GHMZBOCLSA-N 1 2 304.315 4.387 20 30 DIEDLO CC[N@@H+](Cc1ccc(-c2ccccc2)cc1OC)C[C@@H](C)C#N ZINC000512747037 340375678 /nfs/dbraw/zinc/37/56/78/340375678.db2.gz BBYRRUHEKOMERP-INIZCTEOSA-N 1 2 308.425 4.344 20 30 DIEDLO CC[N@H+](Cc1ccc(-c2ccccc2)cc1OC)C[C@@H](C)C#N ZINC000512747037 340375679 /nfs/dbraw/zinc/37/56/79/340375679.db2.gz BBYRRUHEKOMERP-INIZCTEOSA-N 1 2 308.425 4.344 20 30 DIEDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000187433685 340520073 /nfs/dbraw/zinc/52/00/73/340520073.db2.gz HAOHJEATEFEQOY-NSHDSACASA-N 1 2 318.779 4.210 20 30 DIEDLO CC[N@H+](Cc1ccc(CC#N)cc1)Cc1c(F)cccc1F ZINC000542281763 341003489 /nfs/dbraw/zinc/00/34/89/341003489.db2.gz IMVIJYSSUPSRPW-UHFFFAOYSA-N 1 2 300.352 4.053 20 30 DIEDLO CC[N@@H+](Cc1ccc(CC#N)cc1)Cc1c(F)cccc1F ZINC000542281763 341003490 /nfs/dbraw/zinc/00/34/90/341003490.db2.gz IMVIJYSSUPSRPW-UHFFFAOYSA-N 1 2 300.352 4.053 20 30 DIEDLO C[N@H+](Cc1nc(-c2ccccc2)cs1)Cc1cccc(C#N)c1 ZINC000130764593 341041442 /nfs/dbraw/zinc/04/14/42/341041442.db2.gz WPOVCQVEBLHJSW-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO C[N@@H+](Cc1nc(-c2ccccc2)cs1)Cc1cccc(C#N)c1 ZINC000130764593 341041443 /nfs/dbraw/zinc/04/14/43/341041443.db2.gz WPOVCQVEBLHJSW-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO CC[C@H](CC#N)[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000546579920 341173421 /nfs/dbraw/zinc/17/34/21/341173421.db2.gz NCYUXJRSWHPXPO-QGZVFWFLSA-N 1 2 324.472 4.260 20 30 DIEDLO C=CCN(Cc1cccs1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075608714 341179503 /nfs/dbraw/zinc/17/95/03/341179503.db2.gz MKZOAOWDFYTHOJ-UHFFFAOYSA-N 1 2 323.465 4.181 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(F)c1Cl ZINC000549709421 341301104 /nfs/dbraw/zinc/30/11/04/341301104.db2.gz ZDDUVNGNJSHKSZ-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(F)c1Cl ZINC000549709421 341301105 /nfs/dbraw/zinc/30/11/05/341301105.db2.gz ZDDUVNGNJSHKSZ-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C=CCC(C)(C)c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000551498094 341342934 /nfs/dbraw/zinc/34/29/34/341342934.db2.gz NJOHALZZAIOKJD-JXMROGBWSA-N 1 2 320.396 4.279 20 30 DIEDLO C=CC[NH+](CC=C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000551804750 341352311 /nfs/dbraw/zinc/35/23/11/341352311.db2.gz JSZNQPBMAXAJFC-LJQANCHMSA-N 1 2 324.399 4.180 20 30 DIEDLO N#Cc1csc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000154095248 341584708 /nfs/dbraw/zinc/58/47/08/341584708.db2.gz NPLBGNOCSJVKJY-SFHVURJKSA-N 1 2 323.396 4.033 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000574097503 341748552 /nfs/dbraw/zinc/74/85/52/341748552.db2.gz BFCOZNWKBNVLKZ-ZDUSSCGKSA-N 1 2 323.318 4.142 20 30 DIEDLO C=CC[NH+](CC=C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000574226466 341752548 /nfs/dbraw/zinc/75/25/48/341752548.db2.gz NBYYTTSRDGGDTB-GFCCVEGCSA-N 1 2 303.793 4.125 20 30 DIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000159042526 526640782 /nfs/dbraw/zinc/64/07/82/526640782.db2.gz PGVVCKMISCIFQJ-UHFFFAOYSA-N 1 2 316.420 4.011 20 30 DIEDLO Cc1c[nH+]cc(Nc2cc(Br)cc(C#N)c2)c1C ZINC001213530807 1037461274 /nfs/dbraw/zinc/46/12/74/1037461274.db2.gz MEZRUKOADPBNFH-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO N#CCC1CC[NH+](Cc2cc(F)c(Cl)cc2Cl)CC1 ZINC001232700771 1054103979 /nfs/dbraw/zinc/10/39/79/1054103979.db2.gz QKZIYORLTFEDTD-UHFFFAOYSA-N 1 2 301.192 4.258 20 30 DIEDLO C=CCCCCCCC[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001209441998 1036188846 /nfs/dbraw/zinc/18/88/46/1036188846.db2.gz MKRNJCAODLYDJY-UHFFFAOYSA-N 1 2 317.477 4.077 20 30 DIEDLO C=CCCCCCCC[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001209441998 1036188855 /nfs/dbraw/zinc/18/88/55/1036188855.db2.gz MKRNJCAODLYDJY-UHFFFAOYSA-N 1 2 317.477 4.077 20 30 DIEDLO C=CCCCC[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC001167301900 1036558460 /nfs/dbraw/zinc/55/84/60/1036558460.db2.gz BPEGLGKUFVDHIK-INIZCTEOSA-N 1 2 324.262 4.179 20 30 DIEDLO C=CCCCC[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC001167301900 1036558470 /nfs/dbraw/zinc/55/84/70/1036558470.db2.gz BPEGLGKUFVDHIK-INIZCTEOSA-N 1 2 324.262 4.179 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1cccc(C#N)c1 ZINC000610343300 1036832816 /nfs/dbraw/zinc/83/28/16/1036832816.db2.gz DBIUVSJEXKOFFY-NEPJUHHUSA-N 1 2 324.409 4.082 20 30 DIEDLO C[C@H](C#N)CNc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000581704196 1037929256 /nfs/dbraw/zinc/92/92/56/1037929256.db2.gz VQNNQTQPTXOUEK-CQSZACIVSA-N 1 2 303.365 4.021 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(F)c1F ZINC000187445085 1038083578 /nfs/dbraw/zinc/08/35/78/1038083578.db2.gz KKRREJOQTCBFQF-SNVBAGLBSA-N 1 2 306.743 4.341 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000349543701 1038090799 /nfs/dbraw/zinc/09/07/99/1038090799.db2.gz RQWOHWPHGQDLBU-HNNXBMFYSA-N 1 2 320.483 4.244 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000349543701 1038090822 /nfs/dbraw/zinc/09/08/22/1038090822.db2.gz RQWOHWPHGQDLBU-HNNXBMFYSA-N 1 2 320.483 4.244 20 30 DIEDLO N#CCCCC[NH2+][C@@H](c1ccc(Br)cc1)C(F)F ZINC000598677409 1038151216 /nfs/dbraw/zinc/15/12/16/1038151216.db2.gz GSWXXBKRXWBFBH-LBPRGKRZSA-N 1 2 317.177 4.039 20 30 DIEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000603474405 1038219319 /nfs/dbraw/zinc/21/93/19/1038219319.db2.gz ZTZGBSNADOQDLN-UHFFFAOYSA-N 1 2 322.368 4.119 20 30 DIEDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC000603603460 1038251026 /nfs/dbraw/zinc/25/10/26/1038251026.db2.gz HTTCTECNPUBNBV-LIRRHRJNSA-N 1 2 306.409 4.439 20 30 DIEDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC000603603460 1038251036 /nfs/dbraw/zinc/25/10/36/1038251036.db2.gz HTTCTECNPUBNBV-LIRRHRJNSA-N 1 2 306.409 4.439 20 30 DIEDLO C=CC[N@@H+](C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000121631532 1038279205 /nfs/dbraw/zinc/27/92/05/1038279205.db2.gz LYXTTXZTFKKDKA-IBGZPJMESA-N 1 2 308.425 4.101 20 30 DIEDLO C=CC[N@H+](C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000121631532 1038279214 /nfs/dbraw/zinc/27/92/14/1038279214.db2.gz LYXTTXZTFKKDKA-IBGZPJMESA-N 1 2 308.425 4.101 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2c[nH]c3cccc(C)c23)c1 ZINC000728437805 1038484403 /nfs/dbraw/zinc/48/44/03/1038484403.db2.gz JAFJHSJJGJJCQT-MTJSOVHGSA-N 1 2 322.408 4.242 20 30 DIEDLO C=CCC[C@H](CC)[NH2+][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000133070682 1038725041 /nfs/dbraw/zinc/72/50/41/1038725041.db2.gz GHGBVVQUUFGCTE-JKSUJKDBSA-N 1 2 319.836 4.455 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3csc(Cl)c3)c[nH+]c12 ZINC000588558771 1039040463 /nfs/dbraw/zinc/04/04/63/1039040463.db2.gz DEINBKVWWIPOTN-PLNGDYQASA-N 1 2 302.786 4.254 20 30 DIEDLO C=CCC[C@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456837386 1039085507 /nfs/dbraw/zinc/08/55/07/1039085507.db2.gz KUXFXQOJKXZWCM-IBGZPJMESA-N 1 2 308.425 4.065 20 30 DIEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c2cccnc12 ZINC001213091983 1039530916 /nfs/dbraw/zinc/53/09/16/1039530916.db2.gz VNYFGMYKYQTSSH-UHFFFAOYSA-N 1 2 311.348 4.240 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccc(F)cc1 ZINC000491620172 1039864823 /nfs/dbraw/zinc/86/48/23/1039864823.db2.gz FXQUBLBHDWMQAN-OAHLLOKOSA-N 1 2 312.369 4.006 20 30 DIEDLO C#C[C@H]([NH2+]Cc1sc(C)nc1C)c1ccc(Cl)cc1F ZINC000491641964 1039870739 /nfs/dbraw/zinc/87/07/39/1039870739.db2.gz UTVJTMIBKFLXMJ-AWEZNQCLSA-N 1 2 308.809 4.017 20 30 DIEDLO Cc1[nH+]c(C(C)N=Nc2c(Cl)cc(F)cc2Cl)cn1C ZINC000800815286 1039918511 /nfs/dbraw/zinc/91/85/11/1039918511.db2.gz RWVIBCJLPGBKDL-UHFFFAOYSA-N 1 2 315.179 4.011 20 30 DIEDLO C[N@H+](Cc1cccs1)Cc1cc(C#N)ccc1Br ZINC000492375161 1039956516 /nfs/dbraw/zinc/95/65/16/1039956516.db2.gz IOPBGJVQZLIMOH-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1cccs1)Cc1cc(C#N)ccc1Br ZINC000492375161 1039956528 /nfs/dbraw/zinc/95/65/28/1039956528.db2.gz IOPBGJVQZLIMOH-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccccc1C(F)(F)F ZINC000255640514 1040302631 /nfs/dbraw/zinc/30/26/31/1040302631.db2.gz UXQBKHGOAUPZAP-HJWRWDBZSA-N 1 2 316.282 4.249 20 30 DIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000612163373 1040460902 /nfs/dbraw/zinc/46/09/02/1040460902.db2.gz TWZGYQFCFQITNY-NRFANRHFSA-N 1 2 320.436 4.391 20 30 DIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000612163373 1040460911 /nfs/dbraw/zinc/46/09/11/1040460911.db2.gz TWZGYQFCFQITNY-NRFANRHFSA-N 1 2 320.436 4.391 20 30 DIEDLO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1Oc1cccnc1 ZINC000612406430 1040583470 /nfs/dbraw/zinc/58/34/70/1040583470.db2.gz LZXJTETZNQPADO-HXUWFJFHSA-N 1 2 321.424 4.308 20 30 DIEDLO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1Oc1cccnc1 ZINC000612406430 1040583485 /nfs/dbraw/zinc/58/34/85/1040583485.db2.gz LZXJTETZNQPADO-HXUWFJFHSA-N 1 2 321.424 4.308 20 30 DIEDLO C[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1cccc(Br)c1 ZINC000612406427 1040584046 /nfs/dbraw/zinc/58/40/46/1040584046.db2.gz LZJJINIFVHYDGF-CZUORRHYSA-N 1 2 321.262 4.178 20 30 DIEDLO C[C@H](C[N@H+]1CCC[C@](C)(C#N)C1)c1cccc(Br)c1 ZINC000612406427 1040584061 /nfs/dbraw/zinc/58/40/61/1040584061.db2.gz LZJJINIFVHYDGF-CZUORRHYSA-N 1 2 321.262 4.178 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1Br ZINC000160383962 1040782415 /nfs/dbraw/zinc/78/24/15/1040782415.db2.gz NYZMVRCPAKOMHN-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1Br ZINC000160383962 1040782428 /nfs/dbraw/zinc/78/24/28/1040782428.db2.gz NYZMVRCPAKOMHN-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccc(F)c(F)c1 ZINC000414130590 1040904057 /nfs/dbraw/zinc/90/40/57/1040904057.db2.gz JQNBOYOYJUEYDY-SGTLLEGYSA-N 1 2 317.383 4.076 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccc(F)c(F)c1 ZINC000414130586 1040904714 /nfs/dbraw/zinc/90/47/14/1040904714.db2.gz JQNBOYOYJUEYDY-KPZWWZAWSA-N 1 2 317.383 4.076 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(Cl)cc1F ZINC000809698894 1041217526 /nfs/dbraw/zinc/21/75/26/1041217526.db2.gz ISWHFGVCVQZSFS-SFHVURJKSA-N 1 2 312.775 4.123 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(Cl)cc1F ZINC000809699708 1041217917 /nfs/dbraw/zinc/21/79/17/1041217917.db2.gz VLMFAMJDWUOSHE-OAHLLOKOSA-N 1 2 324.182 4.302 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc(C)c(OC)c1)c1ccc(Cl)cc1F ZINC000809698817 1041218388 /nfs/dbraw/zinc/21/83/88/1041218388.db2.gz GPHXEZUTJZNXEP-QGZVFWFLSA-N 1 2 317.791 4.260 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc(C)c(OC)c1)c1ccc(Cl)cc1F ZINC000809698816 1041219058 /nfs/dbraw/zinc/21/90/58/1041219058.db2.gz GPHXEZUTJZNXEP-KRWDZBQOSA-N 1 2 317.791 4.260 20 30 DIEDLO N#CC1(C[NH2+][C@@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000926873192 1041432859 /nfs/dbraw/zinc/43/28/59/1041432859.db2.gz DAOACVZUOHMHQT-INIZCTEOSA-N 1 2 318.779 4.249 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(Cl)cc2C#N)C2CC2)cc1 ZINC000480796671 1041467991 /nfs/dbraw/zinc/46/79/91/1041467991.db2.gz QUOZGFLOAHAGJQ-UHFFFAOYSA-N 1 2 321.811 4.248 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccc(Cl)cc2C#N)C2CC2)cc1 ZINC000480796671 1041467993 /nfs/dbraw/zinc/46/79/93/1041467993.db2.gz QUOZGFLOAHAGJQ-UHFFFAOYSA-N 1 2 321.811 4.248 20 30 DIEDLO Cc1ccc2[nH+]c(CSc3cccc(Cl)c3C#N)cn2c1 ZINC000541172225 1041480611 /nfs/dbraw/zinc/48/06/11/1041480611.db2.gz JHSCKCZTXRQKGE-UHFFFAOYSA-N 1 2 313.813 4.460 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001143505439 1041589232 /nfs/dbraw/zinc/58/92/32/1041589232.db2.gz HWKBURAVIOGXSC-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001143505439 1041589240 /nfs/dbraw/zinc/58/92/40/1041589240.db2.gz HWKBURAVIOGXSC-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143506122 1041620508 /nfs/dbraw/zinc/62/05/08/1041620508.db2.gz YOPDPPCAHMZNEH-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143506122 1041620513 /nfs/dbraw/zinc/62/05/13/1041620513.db2.gz YOPDPPCAHMZNEH-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccc(F)cc1 ZINC000812793293 1041650875 /nfs/dbraw/zinc/65/08/75/1041650875.db2.gz SIXISSWFQNSWKC-GOSISDBHSA-N 1 2 309.384 4.003 20 30 DIEDLO Cc1cc(N(Cc2ccc(C#N)cc2)CC(C)C)nc(C2CC2)[nH+]1 ZINC000341508812 1041724207 /nfs/dbraw/zinc/72/42/07/1041724207.db2.gz WVDJNEPYTAXVOY-UHFFFAOYSA-N 1 2 320.440 4.197 20 30 DIEDLO CC(=[NH+]Nc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000814945214 1041895692 /nfs/dbraw/zinc/89/56/92/1041895692.db2.gz QRHKRPOJWLRWDP-UHFFFAOYSA-N 1 2 307.319 4.006 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000093872490 1042079402 /nfs/dbraw/zinc/07/94/02/1042079402.db2.gz PTGHYZYVTDSGKC-QZTJIDSGSA-N 1 2 323.465 4.292 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000093872490 1042079408 /nfs/dbraw/zinc/07/94/08/1042079408.db2.gz PTGHYZYVTDSGKC-QZTJIDSGSA-N 1 2 323.465 4.292 20 30 DIEDLO Cc1cc(Cl)cc(Cl)c1CNc1[nH+]cccc1CC#N ZINC001167792393 1042087912 /nfs/dbraw/zinc/08/79/12/1042087912.db2.gz FVPTVMPHFFEELS-UHFFFAOYSA-N 1 2 306.196 4.375 20 30 DIEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000066215705 1042138690 /nfs/dbraw/zinc/13/86/90/1042138690.db2.gz VHFXYJPLDKMAFP-UHFFFAOYSA-N 1 2 322.408 4.091 20 30 DIEDLO Cc1cc(C)c(CNc2ccc(C#N)c(C(F)(F)F)c2)c[nH+]1 ZINC000397022465 1042164275 /nfs/dbraw/zinc/16/42/75/1042164275.db2.gz SGKZWGVZDHWCFQ-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1occc1Br ZINC000822525179 1042289090 /nfs/dbraw/zinc/28/90/90/1042289090.db2.gz BDVQUZDMCNXWMB-LLVKDONJSA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1occc1Br ZINC000822525179 1042289095 /nfs/dbraw/zinc/28/90/95/1042289095.db2.gz BDVQUZDMCNXWMB-LLVKDONJSA-N 1 2 319.202 4.107 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000614170614 1042421290 /nfs/dbraw/zinc/42/12/90/1042421290.db2.gz BGVZJSWAJQLJSJ-GOSISDBHSA-N 1 2 312.800 4.254 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000614170614 1042421294 /nfs/dbraw/zinc/42/12/94/1042421294.db2.gz BGVZJSWAJQLJSJ-GOSISDBHSA-N 1 2 312.800 4.254 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000614396658 1042489780 /nfs/dbraw/zinc/48/97/80/1042489780.db2.gz APPWCEAZNSBMKZ-ZDUSSCGKSA-N 1 2 300.352 4.338 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000614396658 1042489784 /nfs/dbraw/zinc/48/97/84/1042489784.db2.gz APPWCEAZNSBMKZ-ZDUSSCGKSA-N 1 2 300.352 4.338 20 30 DIEDLO CC[N@H+](Cc1ccc(C#N)cc1C)Cc1c(F)cccc1F ZINC000614397220 1042490349 /nfs/dbraw/zinc/49/03/49/1042490349.db2.gz CTGAIWDTWWRPLV-UHFFFAOYSA-N 1 2 300.352 4.167 20 30 DIEDLO CC[N@@H+](Cc1ccc(C#N)cc1C)Cc1c(F)cccc1F ZINC000614397220 1042490353 /nfs/dbraw/zinc/49/03/53/1042490353.db2.gz CTGAIWDTWWRPLV-UHFFFAOYSA-N 1 2 300.352 4.167 20 30 DIEDLO C=CCC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccco1 ZINC000513667541 1042557410 /nfs/dbraw/zinc/55/74/10/1042557410.db2.gz RSMLYHKJAYDJOF-SFHVURJKSA-N 1 2 307.397 4.262 20 30 DIEDLO Cc1cc(CNc2ccc(C#N)c(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000420656277 1042611132 /nfs/dbraw/zinc/61/11/32/1042611132.db2.gz UJTUTUJJUWKAPQ-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219863 1042701486 /nfs/dbraw/zinc/70/14/86/1042701486.db2.gz USPUHETUZSQDTL-FQEVSTJZSA-N 1 2 303.409 4.406 20 30 DIEDLO C=C(C)C(C)(C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000424590686 1042744883 /nfs/dbraw/zinc/74/48/83/1042744883.db2.gz LTJXGZGQNPLJAT-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000515502779 1042824801 /nfs/dbraw/zinc/82/48/01/1042824801.db2.gz IVLOFOJBVPIECW-AWEZNQCLSA-N 1 2 307.372 4.143 20 30 DIEDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000515502779 1042824804 /nfs/dbraw/zinc/82/48/04/1042824804.db2.gz IVLOFOJBVPIECW-AWEZNQCLSA-N 1 2 307.372 4.143 20 30 DIEDLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c(C)s1 ZINC000866222546 1043162551 /nfs/dbraw/zinc/16/25/51/1043162551.db2.gz IXDHQDZESSKGJF-VXGBXAGGSA-N 1 2 300.427 4.354 20 30 DIEDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866221998 1043162971 /nfs/dbraw/zinc/16/29/71/1043162971.db2.gz XFQPQNHJOBMDMB-KGLIPLIRSA-N 1 2 310.397 4.074 20 30 DIEDLO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866238299 1043163224 /nfs/dbraw/zinc/16/32/24/1043163224.db2.gz ONQYZVQDFWQHPP-LSDHHAIUSA-N 1 2 324.424 4.463 20 30 DIEDLO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866293449 1043175505 /nfs/dbraw/zinc/17/55/05/1043175505.db2.gz OTRPKIALXNPASF-SCLBCKFNSA-N 1 2 322.408 4.001 20 30 DIEDLO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1O ZINC000866362462 1043189693 /nfs/dbraw/zinc/18/96/93/1043189693.db2.gz FFIQORVXLRBQBX-KXBFYZLASA-N 1 2 319.408 4.350 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185252270 1043198558 /nfs/dbraw/zinc/19/85/58/1043198558.db2.gz NCJGPYMZGBUIQJ-KBPBESRZSA-N 1 2 324.428 4.401 20 30 DIEDLO CC1(C)C/C(=C\c2c[nH+]c3ccccn23)C(=O)c2ccccc21 ZINC000794967104 1043254849 /nfs/dbraw/zinc/25/48/49/1043254849.db2.gz DSKQQUOYBMXRKR-SDNWHVSQSA-N 1 2 302.377 4.282 20 30 DIEDLO C=CC1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000521118566 1043361794 /nfs/dbraw/zinc/36/17/94/1043361794.db2.gz BBIDDVWBSYUQOW-UHFFFAOYSA-N 1 2 317.230 4.400 20 30 DIEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CC1 ZINC000521743120 1043466551 /nfs/dbraw/zinc/46/65/51/1043466551.db2.gz CLOYNSOPBHSQFK-CVEARBPZSA-N 1 2 300.446 4.179 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000349879084 1043529343 /nfs/dbraw/zinc/52/93/43/1043529343.db2.gz WUISLJZNVGBUIC-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000349879084 1043529348 /nfs/dbraw/zinc/52/93/48/1043529348.db2.gz WUISLJZNVGBUIC-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC[N@H+](CCC#N)Cc1c(OC(F)F)ccc2ccccc21 ZINC000349871184 1043529848 /nfs/dbraw/zinc/52/98/48/1043529848.db2.gz DOGQFCLSMJNXNC-UHFFFAOYSA-N 1 2 304.340 4.177 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1c(OC(F)F)ccc2ccccc21 ZINC000349871184 1043529857 /nfs/dbraw/zinc/52/98/57/1043529857.db2.gz DOGQFCLSMJNXNC-UHFFFAOYSA-N 1 2 304.340 4.177 20 30 DIEDLO Cc1cc(C)cc([C@H]([NH2+]CC2(C#N)CCC2)c2cccnc2)c1 ZINC000926627328 1043609583 /nfs/dbraw/zinc/60/95/83/1043609583.db2.gz MXYOGNUITZDSAF-LJQANCHMSA-N 1 2 305.425 4.071 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(COC)cs1)c1ccc(Cl)cc1F ZINC000825886844 1043690721 /nfs/dbraw/zinc/69/07/21/1043690721.db2.gz RCTYOMAGUIJIHM-INIZCTEOSA-N 1 2 323.820 4.151 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000876557373 1043693316 /nfs/dbraw/zinc/69/33/16/1043693316.db2.gz GITXGGKXVBKFAS-MRXNPFEDSA-N 1 2 315.779 4.083 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000876557373 1043693324 /nfs/dbraw/zinc/69/33/24/1043693324.db2.gz GITXGGKXVBKFAS-MRXNPFEDSA-N 1 2 315.779 4.083 20 30 DIEDLO C[N@@H+]1CCCc2cc(N[C@@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000777653625 1043728335 /nfs/dbraw/zinc/72/83/35/1043728335.db2.gz OUGMINOBEZJVAK-HXUWFJFHSA-N 1 2 317.436 4.430 20 30 DIEDLO C[N@H+]1CCCc2cc(N[C@@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000777653625 1043728347 /nfs/dbraw/zinc/72/83/47/1043728347.db2.gz OUGMINOBEZJVAK-HXUWFJFHSA-N 1 2 317.436 4.430 20 30 DIEDLO C=CCC[C@@H]([NH2+]c1ccc(N2CCO[C@H](C)C2)cc1)C1CC1 ZINC000777697313 1043764839 /nfs/dbraw/zinc/76/48/39/1043764839.db2.gz XWHQHOPVCVSDKI-DNVCBOLYSA-N 1 2 300.446 4.068 20 30 DIEDLO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000561956168 1044035418 /nfs/dbraw/zinc/03/54/18/1044035418.db2.gz DMBQYMQITAEKGK-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000561956168 1044035434 /nfs/dbraw/zinc/03/54/34/1044035434.db2.gz DMBQYMQITAEKGK-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO C=CCCC[C@@H]([NH2+]Cc1nnc(OCC)s1)c1ccccc1 ZINC000880388547 1044036972 /nfs/dbraw/zinc/03/69/72/1044036972.db2.gz LXEUBFOXZVTPIQ-OAHLLOKOSA-N 1 2 317.458 4.124 20 30 DIEDLO Cc1ccc(CSCCCOc2cccc(C#N)c2)c(C)[nH+]1 ZINC000358654087 1044090147 /nfs/dbraw/zinc/09/01/47/1044090147.db2.gz IUJGUHUIXHCDEX-UHFFFAOYSA-N 1 2 312.438 4.272 20 30 DIEDLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000562358056 1044105250 /nfs/dbraw/zinc/10/52/50/1044105250.db2.gz VAKMIFNWGVTRAK-CQSZACIVSA-N 1 2 312.388 4.335 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc2cccnc21 ZINC001137170874 1044142385 /nfs/dbraw/zinc/14/23/85/1044142385.db2.gz KWDRSQVRCIZOGN-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc2cccnc21 ZINC001137170874 1044142393 /nfs/dbraw/zinc/14/23/93/1044142393.db2.gz KWDRSQVRCIZOGN-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO CC(C)[N@H+](CCC#N)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000563492874 1044272416 /nfs/dbraw/zinc/27/24/16/1044272416.db2.gz DYDWEOOKPLKWCV-UHFFFAOYSA-N 1 2 304.340 4.349 20 30 DIEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000563492874 1044272434 /nfs/dbraw/zinc/27/24/34/1044272434.db2.gz DYDWEOOKPLKWCV-UHFFFAOYSA-N 1 2 304.340 4.349 20 30 DIEDLO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1F)c1ccc(C#N)cc1F ZINC000883376205 1044290870 /nfs/dbraw/zinc/29/08/70/1044290870.db2.gz GETWVZUDLXVSEW-OEPMTFCVSA-N 1 2 312.363 4.374 20 30 DIEDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cn3ccccc3c2C#N)s1 ZINC000106877310 1044372534 /nfs/dbraw/zinc/37/25/34/1044372534.db2.gz AJCULQCHYFHCDE-ZDUSSCGKSA-N 1 2 324.453 4.077 20 30 DIEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cn3ccccc3c2C#N)s1 ZINC000106877310 1044372548 /nfs/dbraw/zinc/37/25/48/1044372548.db2.gz AJCULQCHYFHCDE-ZDUSSCGKSA-N 1 2 324.453 4.077 20 30 DIEDLO Cc1cc(C)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C)[nH+]1 ZINC000361529441 1044414464 /nfs/dbraw/zinc/41/44/64/1044414464.db2.gz YBGPFKXJMFWQIW-QGZVFWFLSA-N 1 2 307.397 4.033 20 30 DIEDLO CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cs1 ZINC000361757441 1044440786 /nfs/dbraw/zinc/44/07/86/1044440786.db2.gz XTQUJWZMQDKPMI-LLVKDONJSA-N 1 2 303.406 4.128 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(-c2ccc(F)cc2)no1 ZINC000362173636 1044485882 /nfs/dbraw/zinc/48/58/82/1044485882.db2.gz OFWGCPZVSSUUHH-UHFFFAOYSA-N 1 2 315.392 4.242 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(-c2ccc(F)cc2)no1 ZINC000362173636 1044485888 /nfs/dbraw/zinc/48/58/88/1044485888.db2.gz OFWGCPZVSSUUHH-UHFFFAOYSA-N 1 2 315.392 4.242 20 30 DIEDLO N#CCc1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000566973079 1044532852 /nfs/dbraw/zinc/53/28/52/1044532852.db2.gz OUYCXEPHGHRTMZ-SFHVURJKSA-N 1 2 314.379 4.109 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000363113372 1044583340 /nfs/dbraw/zinc/58/33/40/1044583340.db2.gz DAOFRUGOKYDXFX-LBPRGKRZSA-N 1 2 312.866 4.105 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000363113372 1044583354 /nfs/dbraw/zinc/58/33/54/1044583354.db2.gz DAOFRUGOKYDXFX-LBPRGKRZSA-N 1 2 312.866 4.105 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000444667553 1044593728 /nfs/dbraw/zinc/59/37/28/1044593728.db2.gz AMYXHYCBLMPZDA-QGZVFWFLSA-N 1 2 320.864 4.433 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000444667553 1044593742 /nfs/dbraw/zinc/59/37/42/1044593742.db2.gz AMYXHYCBLMPZDA-QGZVFWFLSA-N 1 2 320.864 4.433 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000568182529 1044609002 /nfs/dbraw/zinc/60/90/02/1044609002.db2.gz RTTDGUGYZPLDSA-HNNXBMFYSA-N 1 2 315.461 4.154 20 30 DIEDLO C=CCC[C@H](C(=O)OCc1cccc2[nH+]ccn21)c1ccccc1 ZINC000778688541 1044682848 /nfs/dbraw/zinc/68/28/48/1044682848.db2.gz OXZWOWADEJFUIJ-SFHVURJKSA-N 1 2 320.392 4.128 20 30 DIEDLO C=CCC1(O)CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000886762459 1044694154 /nfs/dbraw/zinc/69/41/54/1044694154.db2.gz ZEWKNCUXIMXFFQ-UHFFFAOYSA-N 1 2 320.502 4.094 20 30 DIEDLO Cc1nc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)sc1C ZINC000336854492 1044851549 /nfs/dbraw/zinc/85/15/49/1044851549.db2.gz FBIUSRYOMSMVCK-SJORKVTESA-N 1 2 311.454 4.032 20 30 DIEDLO Cc1nc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)sc1C ZINC000336854492 1044851565 /nfs/dbraw/zinc/85/15/65/1044851565.db2.gz FBIUSRYOMSMVCK-SJORKVTESA-N 1 2 311.454 4.032 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000373114392 1044942269 /nfs/dbraw/zinc/94/22/69/1044942269.db2.gz ZEUUZDQLOUUBLO-KRWDZBQOSA-N 1 2 322.399 4.058 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000373114392 1044942277 /nfs/dbraw/zinc/94/22/77/1044942277.db2.gz ZEUUZDQLOUUBLO-KRWDZBQOSA-N 1 2 322.399 4.058 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000374258913 1045040500 /nfs/dbraw/zinc/04/05/00/1045040500.db2.gz NLQOJYYOJGLDPU-GFCCVEGCSA-N 1 2 312.866 4.105 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000374258913 1045040491 /nfs/dbraw/zinc/04/04/91/1045040491.db2.gz NLQOJYYOJGLDPU-GFCCVEGCSA-N 1 2 312.866 4.105 20 30 DIEDLO CC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000450456045 1045508691 /nfs/dbraw/zinc/50/86/91/1045508691.db2.gz WKQRCJRRHAKIAI-NHCUHLMSSA-N 1 2 318.420 4.161 20 30 DIEDLO CC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000450456045 1045508697 /nfs/dbraw/zinc/50/86/97/1045508697.db2.gz WKQRCJRRHAKIAI-NHCUHLMSSA-N 1 2 318.420 4.161 20 30 DIEDLO Cc1ccc(Nc2c(Br)cccc2C#N)c(C)[nH+]1 ZINC001203374994 1045587570 /nfs/dbraw/zinc/58/75/70/1045587570.db2.gz SFHYMSGZMPQSHL-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO C[N@@H+]1CCC(=O)C[C@@H]1c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 ZINC000629713095 1045700749 /nfs/dbraw/zinc/70/07/49/1045700749.db2.gz FTCCCPIBMAFAJJ-LJQANCHMSA-N 1 2 324.811 4.214 20 30 DIEDLO C[N@H+]1CCC(=O)C[C@@H]1c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 ZINC000629713095 1045700770 /nfs/dbraw/zinc/70/07/70/1045700770.db2.gz FTCCCPIBMAFAJJ-LJQANCHMSA-N 1 2 324.811 4.214 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000530733035 1045715866 /nfs/dbraw/zinc/71/58/66/1045715866.db2.gz XIBFVRZYHVPAAR-APWZRJJASA-N 1 2 312.363 4.237 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000530733035 1045715878 /nfs/dbraw/zinc/71/58/78/1045715878.db2.gz XIBFVRZYHVPAAR-APWZRJJASA-N 1 2 312.363 4.237 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1\CCOc2c(Cl)cccc2C1=O ZINC000901474471 1045744324 /nfs/dbraw/zinc/74/43/24/1045744324.db2.gz NXXHRELVVYSMRX-XYOKQWHBSA-N 1 2 316.788 4.166 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2cc(F)c(Cl)cc2C1=O ZINC000901543506 1045760706 /nfs/dbraw/zinc/76/07/06/1045760706.db2.gz OMMYNTIDODLDHV-NYYWCZLTSA-N 1 2 304.752 4.079 20 30 DIEDLO Cc1ccc2cc(C(=O)/C=C\c3cccc4[nH+]ccn43)oc2c1 ZINC000754831039 1045929282 /nfs/dbraw/zinc/92/92/82/1045929282.db2.gz UTPLZEUWNMURIT-FPLPWBNLSA-N 1 2 302.333 4.285 20 30 DIEDLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccccc2F)c(C#N)c1 ZINC001137703288 1045940167 /nfs/dbraw/zinc/94/01/67/1045940167.db2.gz IDLUQVXEDMUTBK-FQEVSTJZSA-N 1 2 324.399 4.433 20 30 DIEDLO COc1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2F)c(C#N)c1 ZINC001137703288 1045940174 /nfs/dbraw/zinc/94/01/74/1045940174.db2.gz IDLUQVXEDMUTBK-FQEVSTJZSA-N 1 2 324.399 4.433 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001138051616 1046075523 /nfs/dbraw/zinc/07/55/23/1046075523.db2.gz CSHFTRUOBKUYTO-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001138051616 1046075537 /nfs/dbraw/zinc/07/55/37/1046075537.db2.gz CSHFTRUOBKUYTO-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001138079963 1046085720 /nfs/dbraw/zinc/08/57/20/1046085720.db2.gz IMRPIHKNWFEHJU-IBGZPJMESA-N 1 2 306.409 4.001 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001138079963 1046085733 /nfs/dbraw/zinc/08/57/33/1046085733.db2.gz IMRPIHKNWFEHJU-IBGZPJMESA-N 1 2 306.409 4.001 20 30 DIEDLO N#CCC[N@@H+](Cc1cccc(F)c1O)C1CCCCCCC1 ZINC001138127433 1046103314 /nfs/dbraw/zinc/10/33/14/1046103314.db2.gz BHTUHXWKDVMQJU-UHFFFAOYSA-N 1 2 304.409 4.360 20 30 DIEDLO N#CCC[N@H+](Cc1cccc(F)c1O)C1CCCCCCC1 ZINC001138127433 1046103320 /nfs/dbraw/zinc/10/33/20/1046103320.db2.gz BHTUHXWKDVMQJU-UHFFFAOYSA-N 1 2 304.409 4.360 20 30 DIEDLO CC1(C#N)CC[NH+](Cn2c3ccc(Cl)cc3oc2=S)CC1 ZINC000779879581 1046152899 /nfs/dbraw/zinc/15/28/99/1046152899.db2.gz WDZDJKGTUPTWJD-UHFFFAOYSA-N 1 2 321.833 4.200 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(N(CC)CC)cc1OC ZINC001138388753 1046162899 /nfs/dbraw/zinc/16/28/99/1046162899.db2.gz CNBZYRGZHQYJOD-UHFFFAOYSA-N 1 2 317.477 4.057 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(N(CC)CC)cc1OC ZINC001138388753 1046162905 /nfs/dbraw/zinc/16/29/05/1046162905.db2.gz CNBZYRGZHQYJOD-UHFFFAOYSA-N 1 2 317.477 4.057 20 30 DIEDLO COc1ccc([C@H]([NH2+]CC(C)(C)C#N)c2ccc(F)cc2)cc1 ZINC000903100541 1046163570 /nfs/dbraw/zinc/16/35/70/1046163570.db2.gz SEPLZJGHCXOYIP-GOSISDBHSA-N 1 2 312.388 4.063 20 30 DIEDLO CCOc1ccc(C[N@H+](CCC#N)Cc2ccccc2)c(C)c1 ZINC001138430889 1046179837 /nfs/dbraw/zinc/17/98/37/1046179837.db2.gz LCQYIRDJGDVMBX-UHFFFAOYSA-N 1 2 308.425 4.310 20 30 DIEDLO CCOc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)c(C)c1 ZINC001138430889 1046179841 /nfs/dbraw/zinc/17/98/41/1046179841.db2.gz LCQYIRDJGDVMBX-UHFFFAOYSA-N 1 2 308.425 4.310 20 30 DIEDLO O=C1c2cccc(Cl)c2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000758038336 1046242859 /nfs/dbraw/zinc/24/28/59/1046242859.db2.gz CHVSHBKASHOCOA-VAWYXSNFSA-N 1 2 308.768 4.200 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc2cc(Br)ccc2[nH]1 ZINC001139187752 1046404021 /nfs/dbraw/zinc/40/40/21/1046404021.db2.gz OURZIZHVONUYCD-UHFFFAOYSA-N 1 2 320.234 4.056 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc2cc(Br)ccc2[nH]1 ZINC001139187752 1046404025 /nfs/dbraw/zinc/40/40/25/1046404025.db2.gz OURZIZHVONUYCD-UHFFFAOYSA-N 1 2 320.234 4.056 20 30 DIEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C/c1c[nH+]c2cccc(C)n12 ZINC000748997164 1046422000 /nfs/dbraw/zinc/42/20/00/1046422000.db2.gz GTTMIBULLMBUKX-ZHACJKMWSA-N 1 2 315.376 4.329 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3c[nH]c4cc(F)ccc43)n21 ZINC000748997198 1046422024 /nfs/dbraw/zinc/42/20/24/1046422024.db2.gz HMCKFOVTMGWQHS-VURMDHGXSA-N 1 2 319.339 4.159 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3\Cc4c(cccc4Cl)C3=O)n21 ZINC000748996830 1046422057 /nfs/dbraw/zinc/42/20/57/1046422057.db2.gz AYELLQVGQLGMLL-XYOKQWHBSA-N 1 2 308.768 4.119 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3/Cc4c(cccc4Cl)C3=O)n21 ZINC000748996828 1046422395 /nfs/dbraw/zinc/42/23/95/1046422395.db2.gz AYELLQVGQLGMLL-WQLSENKSSA-N 1 2 308.768 4.119 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001139303434 1046427620 /nfs/dbraw/zinc/42/76/20/1046427620.db2.gz VFLYMRAVWVZABN-IBGZPJMESA-N 1 2 310.372 4.354 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001139303434 1046427624 /nfs/dbraw/zinc/42/76/24/1046427624.db2.gz VFLYMRAVWVZABN-IBGZPJMESA-N 1 2 310.372 4.354 20 30 DIEDLO Cc1cccc2nc(C[N@H+](CCC#N)C3CCCCCCC3)cn21 ZINC001137299317 1046499837 /nfs/dbraw/zinc/49/98/37/1046499837.db2.gz ITEITTUDSARRCO-UHFFFAOYSA-N 1 2 324.472 4.471 20 30 DIEDLO Cc1cccc2nc(C[N@@H+](CCC#N)C3CCCCCCC3)cn21 ZINC001137299317 1046499843 /nfs/dbraw/zinc/49/98/43/1046499843.db2.gz ITEITTUDSARRCO-UHFFFAOYSA-N 1 2 324.472 4.471 20 30 DIEDLO C#CC[N@@H+](Cc1cccc(Cl)c1C#N)[C@@H]1CCc2ccccc21 ZINC001139691662 1046499827 /nfs/dbraw/zinc/49/98/27/1046499827.db2.gz DGOZVKKAKSWLSI-HXUWFJFHSA-N 1 2 320.823 4.334 20 30 DIEDLO C#CC[N@H+](Cc1cccc(Cl)c1C#N)[C@@H]1CCc2ccccc21 ZINC001139691662 1046499834 /nfs/dbraw/zinc/49/98/34/1046499834.db2.gz DGOZVKKAKSWLSI-HXUWFJFHSA-N 1 2 320.823 4.334 20 30 DIEDLO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)c1 ZINC001139875458 1046540955 /nfs/dbraw/zinc/54/09/55/1046540955.db2.gz OUUAMBJPDWKOEO-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)c1 ZINC001139875458 1046540964 /nfs/dbraw/zinc/54/09/64/1046540964.db2.gz OUUAMBJPDWKOEO-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO CCCCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000105373113 1046572643 /nfs/dbraw/zinc/57/26/43/1046572643.db2.gz PNIFLSMUDMHHSV-UHFFFAOYSA-N 1 2 303.381 4.310 20 30 DIEDLO Cc1cccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1C ZINC000783706624 1046625995 /nfs/dbraw/zinc/62/59/95/1046625995.db2.gz JOKRIYXIUKQFDN-VOTSOKGWSA-N 1 2 308.406 4.447 20 30 DIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000797008482 1046771621 /nfs/dbraw/zinc/77/16/21/1046771621.db2.gz VNPAPDILTRPUDH-GFCCVEGCSA-N 1 2 319.351 4.086 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc2ccncc21 ZINC001140639786 1046826232 /nfs/dbraw/zinc/82/62/32/1046826232.db2.gz QQISIVFGERPQFY-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc2ccncc21 ZINC001140639786 1046826244 /nfs/dbraw/zinc/82/62/44/1046826244.db2.gz QQISIVFGERPQFY-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@H]2c2ccccc2F)cc1F ZINC001140754131 1046884383 /nfs/dbraw/zinc/88/43/83/1046884383.db2.gz PHBHECHEXWXMQJ-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H]2c2ccccc2F)cc1F ZINC001140754131 1046884397 /nfs/dbraw/zinc/88/43/97/1046884397.db2.gz PHBHECHEXWXMQJ-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000798936456 1046991119 /nfs/dbraw/zinc/99/11/19/1046991119.db2.gz HPFVUFFAHJQZPE-VHSXEESVSA-N 1 2 316.214 4.299 20 30 DIEDLO C=CC[NH+](CC=C)Cc1cc2cc(OC)ccc2nc1Cl ZINC001141064767 1046996736 /nfs/dbraw/zinc/99/67/36/1046996736.db2.gz PFKWABLIQYWXOD-UHFFFAOYSA-N 1 2 302.805 4.071 20 30 DIEDLO CC[N@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1F ZINC001141114477 1047017023 /nfs/dbraw/zinc/01/70/23/1047017023.db2.gz QHCIOYLZMQJLMG-UHFFFAOYSA-N 1 2 323.824 4.017 20 30 DIEDLO CC[N@@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1F ZINC001141114477 1047017040 /nfs/dbraw/zinc/01/70/40/1047017040.db2.gz QHCIOYLZMQJLMG-UHFFFAOYSA-N 1 2 323.824 4.017 20 30 DIEDLO Cc1cccc(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC001141166834 1047034442 /nfs/dbraw/zinc/03/44/42/1047034442.db2.gz JSAUGZMQHAAVHV-UHFFFAOYSA-N 1 2 324.399 4.049 20 30 DIEDLO Cc1ccc2cc(C(=O)/C=C\c3ccc[nH+]c3N(C)C)oc2c1 ZINC001117350872 1047228364 /nfs/dbraw/zinc/22/83/64/1047228364.db2.gz NANVWXRQKPMPPE-HJWRWDBZSA-N 1 2 306.365 4.098 20 30 DIEDLO C[N@H+](Cc1cccs1)Cc1cc(Br)ccc1C#N ZINC001141900852 1047307082 /nfs/dbraw/zinc/30/70/82/1047307082.db2.gz IZYYHMMLGSEGJU-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1cccs1)Cc1cc(Br)ccc1C#N ZINC001141900852 1047307096 /nfs/dbraw/zinc/30/70/96/1047307096.db2.gz IZYYHMMLGSEGJU-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C=CCCn1cc(C[N@@H+](CC)Cc2ccc3ccccc3c2)nn1 ZINC000653505983 1047393856 /nfs/dbraw/zinc/39/38/56/1047393856.db2.gz GRWXQCMQTHZCMW-UHFFFAOYSA-N 1 2 320.440 4.030 20 30 DIEDLO C=CCCn1cc(C[N@H+](CC)Cc2ccc3ccccc3c2)nn1 ZINC000653505983 1047393868 /nfs/dbraw/zinc/39/38/68/1047393868.db2.gz GRWXQCMQTHZCMW-UHFFFAOYSA-N 1 2 320.440 4.030 20 30 DIEDLO N#CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccnc2[nH]ccc21 ZINC001142882573 1047509243 /nfs/dbraw/zinc/50/92/43/1047509243.db2.gz RSMLZPIALSTOSK-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCC[N@H+](Cc1ccc(Cl)cc1)Cc1ccnc2[nH]ccc21 ZINC001142882573 1047509248 /nfs/dbraw/zinc/50/92/48/1047509248.db2.gz RSMLZPIALSTOSK-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO CCc1ccc(C[N@H+](C)Cc2c(F)ccc(C#N)c2F)cc1 ZINC001143173888 1047537074 /nfs/dbraw/zinc/53/70/74/1047537074.db2.gz IPRSTBVWKRFJJW-UHFFFAOYSA-N 1 2 300.352 4.031 20 30 DIEDLO CCc1ccc(C[N@@H+](C)Cc2c(F)ccc(C#N)c2F)cc1 ZINC001143173888 1047537082 /nfs/dbraw/zinc/53/70/82/1047537082.db2.gz IPRSTBVWKRFJJW-UHFFFAOYSA-N 1 2 300.352 4.031 20 30 DIEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1OCc1ccccc1 ZINC000093090368 1047542786 /nfs/dbraw/zinc/54/27/86/1047542786.db2.gz KKFUAVHUBQLOJW-MRXNPFEDSA-N 1 2 324.424 4.008 20 30 DIEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1OCc1ccccc1 ZINC000093090368 1047542795 /nfs/dbraw/zinc/54/27/95/1047542795.db2.gz KKFUAVHUBQLOJW-MRXNPFEDSA-N 1 2 324.424 4.008 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204711304 1047544091 /nfs/dbraw/zinc/54/40/91/1047544091.db2.gz VTLHJBJJFRTBSP-CYBMUJFWSA-N 1 2 300.789 4.336 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204711304 1047544095 /nfs/dbraw/zinc/54/40/95/1047544095.db2.gz VTLHJBJJFRTBSP-CYBMUJFWSA-N 1 2 300.789 4.336 20 30 DIEDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCC(C)(C)C#N ZINC000538465308 1047680459 /nfs/dbraw/zinc/68/04/59/1047680459.db2.gz SZXTZYQXMWMQHX-BBRMVZONSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCC(C)(C)C#N ZINC000538465308 1047680462 /nfs/dbraw/zinc/68/04/62/1047680462.db2.gz SZXTZYQXMWMQHX-BBRMVZONSA-N 1 2 306.837 4.042 20 30 DIEDLO N#Cc1cnc2[nH]c(NC(=[NH2+])C34CC5CC(CC(C5)C3)C4)ccc1-2 ZINC001155958696 1047692925 /nfs/dbraw/zinc/69/29/25/1047692925.db2.gz ALSMWTFHSXGNOF-UHFFFAOYSA-N 1 2 319.412 4.040 20 30 DIEDLO N#Cc1cc(Cl)nc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001155956740 1047693132 /nfs/dbraw/zinc/69/31/32/1047693132.db2.gz ZDBLXOHUNCVVGP-UHFFFAOYSA-N 1 2 314.820 4.212 20 30 DIEDLO Cc1ccccc1OCCCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001156034888 1047697326 /nfs/dbraw/zinc/69/73/26/1047697326.db2.gz YMVNUZALEMGGTI-UHFFFAOYSA-N 1 2 317.392 4.296 20 30 DIEDLO C=CCCCCO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224335644 1047711851 /nfs/dbraw/zinc/71/18/51/1047711851.db2.gz VEEJBFDXLZBZSA-ZDUSSCGKSA-N 1 2 314.882 4.134 20 30 DIEDLO C=CCCCCO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224335644 1047711855 /nfs/dbraw/zinc/71/18/55/1047711855.db2.gz VEEJBFDXLZBZSA-ZDUSSCGKSA-N 1 2 314.882 4.134 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(NCc3nccc4ccccc43)c2c1 ZINC001156862254 1047724573 /nfs/dbraw/zinc/72/45/73/1047724573.db2.gz BAULPOBKTXHDLF-UHFFFAOYSA-N 1 2 310.360 4.267 20 30 DIEDLO CCN(Cc1ccc(C)c(C)c1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001157361673 1047740732 /nfs/dbraw/zinc/74/07/32/1047740732.db2.gz PVLXFCHXMNLHEN-UHFFFAOYSA-N 1 2 304.397 4.078 20 30 DIEDLO CSc1cc[nH+]c(N2CCC(C#Cc3ccccc3)CC2)c1 ZINC001157532308 1047745905 /nfs/dbraw/zinc/74/59/05/1047745905.db2.gz WTEJUNQJNWJCFY-UHFFFAOYSA-N 1 2 308.450 4.072 20 30 DIEDLO N#CC1(c2ccccc2F)CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001158892307 1047802958 /nfs/dbraw/zinc/80/29/58/1047802958.db2.gz VWLOCUPDUALNCC-UHFFFAOYSA-N 1 2 321.399 4.160 20 30 DIEDLO CNc1ccc(Nc2sc(Cc3ccccc3)cc2C#N)c[nH+]1 ZINC001159129623 1047814756 /nfs/dbraw/zinc/81/47/56/1047814756.db2.gz ATOYGYNRTMTIKF-UHFFFAOYSA-N 1 2 320.421 4.391 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cccc(OCC)n1)c1ccc(F)c(F)c1 ZINC000479404656 1047877253 /nfs/dbraw/zinc/87/72/53/1047877253.db2.gz DOYSLTAXEUSKFV-SFHVURJKSA-N 1 2 318.367 4.166 20 30 DIEDLO Cc1cc(C#N)c(F)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523546 1047884028 /nfs/dbraw/zinc/88/40/28/1047884028.db2.gz NRLWWMGHQPVAOL-UHFFFAOYSA-N 1 2 310.376 4.135 20 30 DIEDLO N#CCc1cc[nH+]c(NC2c3ccccc3Oc3ccccc32)c1 ZINC001160489672 1048057271 /nfs/dbraw/zinc/05/72/71/1048057271.db2.gz PGDXMHNQPPPYIW-UHFFFAOYSA-N 1 2 313.360 4.455 20 30 DIEDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000554310713 1048065305 /nfs/dbraw/zinc/06/53/05/1048065305.db2.gz NSWIVQYBTMQRRX-GOSISDBHSA-N 1 2 312.388 4.289 20 30 DIEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000554310713 1048065323 /nfs/dbraw/zinc/06/53/23/1048065323.db2.gz NSWIVQYBTMQRRX-GOSISDBHSA-N 1 2 312.388 4.289 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(NCCc3cc(F)cc(F)c3)c2c1 ZINC001160568669 1048065818 /nfs/dbraw/zinc/06/58/18/1048065818.db2.gz IWITVAQNDVPDLP-UHFFFAOYSA-N 1 2 309.319 4.039 20 30 DIEDLO CCN(CC)c1ccc(C[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001203937399 1048076815 /nfs/dbraw/zinc/07/68/15/1048076815.db2.gz YCEFHBJCEWIVFX-UHFFFAOYSA-N 1 2 321.468 4.449 20 30 DIEDLO CCN(CC)c1ccc(C[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001203937399 1048076835 /nfs/dbraw/zinc/07/68/35/1048076835.db2.gz YCEFHBJCEWIVFX-UHFFFAOYSA-N 1 2 321.468 4.449 20 30 DIEDLO N#Cc1cc(F)c(Nc2ccc[nH+]c2N2CCCC2)c(Cl)c1 ZINC001184963849 1048105127 /nfs/dbraw/zinc/10/51/27/1048105127.db2.gz CWSUCAVAVXJEIT-UHFFFAOYSA-N 1 2 316.767 4.090 20 30 DIEDLO CC(C)c1ccc(Nc2ccc[nH+]c2N2CCCC2)c(C#N)c1 ZINC001184969243 1048107661 /nfs/dbraw/zinc/10/76/61/1048107661.db2.gz YDBOTFGCVLXWNT-UHFFFAOYSA-N 1 2 306.413 4.420 20 30 DIEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCC(C)(C)C)[nH+]1 ZINC001161677191 1048153849 /nfs/dbraw/zinc/15/38/49/1048153849.db2.gz KTRADIBLTAPJHO-GSERBOKHSA-N 1 2 323.506 4.119 20 30 DIEDLO CCC[N@@H+](CC#N)CCCCOc1cccc(C(F)(F)F)c1 ZINC000554763658 1048180700 /nfs/dbraw/zinc/18/07/00/1048180700.db2.gz GZMVCMCWRMIVJH-UHFFFAOYSA-N 1 2 314.351 4.100 20 30 DIEDLO CCC[N@H+](CC#N)CCCCOc1cccc(C(F)(F)F)c1 ZINC000554763658 1048180707 /nfs/dbraw/zinc/18/07/07/1048180707.db2.gz GZMVCMCWRMIVJH-UHFFFAOYSA-N 1 2 314.351 4.100 20 30 DIEDLO Cc1ccnc(C[NH2+]C#C[Si](C(C)C)(C(C)C)C(C)C)n1 ZINC001162193661 1048241182 /nfs/dbraw/zinc/24/11/82/1048241182.db2.gz OZHLSWLULRLDJW-UHFFFAOYSA-N 1 2 303.526 4.054 20 30 DIEDLO CN(C)c1ccc(Nc2c(Cl)cc(C#N)cc2Cl)c[nH+]1 ZINC001175342553 1048250846 /nfs/dbraw/zinc/25/08/46/1048250846.db2.gz UHYBAJNWXNFCDS-UHFFFAOYSA-N 1 2 307.184 4.070 20 30 DIEDLO CC1(C#N)CC[NH+](C/C(Br)=C/c2ccccc2)CC1 ZINC001201461253 1048269620 /nfs/dbraw/zinc/26/96/20/1048269620.db2.gz YGGDEBMZORWJEU-PTNGSMBKSA-N 1 2 319.246 4.048 20 30 DIEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c2ccccc12 ZINC001175352071 1048273136 /nfs/dbraw/zinc/27/31/36/1048273136.db2.gz ZWJYVADKHDPLHD-UHFFFAOYSA-N 1 2 314.392 4.450 20 30 DIEDLO N#Cc1csc(C[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000555350410 1048326845 /nfs/dbraw/zinc/32/68/45/1048326845.db2.gz POWSDJRJNLISQH-INIZCTEOSA-N 1 2 320.820 4.344 20 30 DIEDLO N#Cc1csc(C[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000555350410 1048326859 /nfs/dbraw/zinc/32/68/59/1048326859.db2.gz POWSDJRJNLISQH-INIZCTEOSA-N 1 2 320.820 4.344 20 30 DIEDLO C#CC[N@@H+](Cc1ncoc1C(C)C)[C@H]1CCCc2ccccc21 ZINC001176452921 1048687682 /nfs/dbraw/zinc/68/76/82/1048687682.db2.gz NFRSORQOFUQQRF-IBGZPJMESA-N 1 2 308.425 4.311 20 30 DIEDLO C#CC[N@H+](Cc1ncoc1C(C)C)[C@H]1CCCc2ccccc21 ZINC001176452921 1048687688 /nfs/dbraw/zinc/68/76/88/1048687688.db2.gz NFRSORQOFUQQRF-IBGZPJMESA-N 1 2 308.425 4.311 20 30 DIEDLO C=CCn1cc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cn1 ZINC001176542487 1048698239 /nfs/dbraw/zinc/69/82/39/1048698239.db2.gz XRDSQOWXDFRMPF-UHFFFAOYSA-N 1 2 318.302 4.380 20 30 DIEDLO N#CC1(c2cc[nH+]c(NC3CCC(C(F)(F)F)CC3)c2)CC1 ZINC001165625059 1048703796 /nfs/dbraw/zinc/70/37/96/1048703796.db2.gz NZCGCQGQKYZEOL-UHFFFAOYSA-N 1 2 309.335 4.170 20 30 DIEDLO CC(C)(Nc1ccc(-n2cccc2)c[nH+]1)c1ccc(C#N)cc1 ZINC001165742517 1048712307 /nfs/dbraw/zinc/71/23/07/1048712307.db2.gz GPTZMCOIDJAFRE-UHFFFAOYSA-N 1 2 302.381 4.091 20 30 DIEDLO Cc1ccc(SCc2ccc(-n3cc[nH+]c3)cc2)c(C#N)c1 ZINC001166739818 1048787135 /nfs/dbraw/zinc/78/71/35/1048787135.db2.gz ZQDQRVUOMYINDF-UHFFFAOYSA-N 1 2 305.406 4.345 20 30 DIEDLO CN(Cc1ccccc1)c1ccc(Nc2ccc(C#N)s2)c[nH+]1 ZINC001203515318 1048915955 /nfs/dbraw/zinc/91/59/55/1048915955.db2.gz HPWQXFWSVCHZJR-UHFFFAOYSA-N 1 2 320.421 4.395 20 30 DIEDLO COc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001203719675 1048979973 /nfs/dbraw/zinc/97/99/73/1048979973.db2.gz SBCKNMMELCARLB-UHFFFAOYSA-N 1 2 307.397 4.301 20 30 DIEDLO N#Cc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001203724975 1048980738 /nfs/dbraw/zinc/98/07/38/1048980738.db2.gz YSYAMZYPLKZWDE-UHFFFAOYSA-N 1 2 302.381 4.164 20 30 DIEDLO CCOc1ccc(C#N)cc1NCc1cc(C)[nH+]c2c1CCCC2 ZINC001178900964 1049108349 /nfs/dbraw/zinc/10/83/49/1049108349.db2.gz ILDRFGKFMSCNDR-UHFFFAOYSA-N 1 2 321.424 4.151 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001204319024 1049140481 /nfs/dbraw/zinc/14/04/81/1049140481.db2.gz DXYVYIMZOMCOKB-UHFFFAOYSA-N 1 2 319.452 4.203 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001204319024 1049140482 /nfs/dbraw/zinc/14/04/82/1049140482.db2.gz DXYVYIMZOMCOKB-UHFFFAOYSA-N 1 2 319.452 4.203 20 30 DIEDLO C[C@H](CC#N)[NH2+]Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001179479465 1049171246 /nfs/dbraw/zinc/17/12/46/1049171246.db2.gz MFXXCDQLBFAXIU-LLVKDONJSA-N 1 2 320.314 4.288 20 30 DIEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(F)cc1C#N)[C@H]2C ZINC001193272479 1049192825 /nfs/dbraw/zinc/19/28/25/1049192825.db2.gz NDEYLVKVNQIMII-KBPBESRZSA-N 1 2 324.399 4.214 20 30 DIEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(F)cc1C#N)[C@H]2C ZINC001193272479 1049192829 /nfs/dbraw/zinc/19/28/29/1049192829.db2.gz NDEYLVKVNQIMII-KBPBESRZSA-N 1 2 324.399 4.214 20 30 DIEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]2C ZINC001193272483 1049194036 /nfs/dbraw/zinc/19/40/36/1049194036.db2.gz NDEYLVKVNQIMII-ZIAGYGMSSA-N 1 2 324.399 4.214 20 30 DIEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(F)cc1C#N)[C@@H]2C ZINC001193272483 1049194042 /nfs/dbraw/zinc/19/40/42/1049194042.db2.gz NDEYLVKVNQIMII-ZIAGYGMSSA-N 1 2 324.399 4.214 20 30 DIEDLO COc1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC001179962564 1049252693 /nfs/dbraw/zinc/25/26/93/1049252693.db2.gz PXGBEJQIFFJSAF-WOJBJXKFSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC001179962564 1049252704 /nfs/dbraw/zinc/25/27/04/1049252704.db2.gz PXGBEJQIFFJSAF-WOJBJXKFSA-N 1 2 324.399 4.106 20 30 DIEDLO CCCCCCCOC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001194012396 1049299095 /nfs/dbraw/zinc/29/90/95/1049299095.db2.gz NBTIXYKNSYLRTN-UHFFFAOYSA-N 1 2 315.417 4.069 20 30 DIEDLO C#CC[N@@H+](Cc1cccc(O)c1Cl)[C@H]1CCc2ccccc21 ZINC001204930805 1049313398 /nfs/dbraw/zinc/31/33/98/1049313398.db2.gz NRQSGYIEHJEGMZ-KRWDZBQOSA-N 1 2 311.812 4.168 20 30 DIEDLO C#CC[N@H+](Cc1cccc(O)c1Cl)[C@H]1CCc2ccccc21 ZINC001204930805 1049313408 /nfs/dbraw/zinc/31/34/08/1049313408.db2.gz NRQSGYIEHJEGMZ-KRWDZBQOSA-N 1 2 311.812 4.168 20 30 DIEDLO C=CCCCCC[N@@H+](C)Cc1c(F)cncc1Br ZINC001180199584 1049314915 /nfs/dbraw/zinc/31/49/15/1049314915.db2.gz VOMDZPDKJADMFM-UHFFFAOYSA-N 1 2 315.230 4.161 20 30 DIEDLO C=CCCCCC[N@H+](C)Cc1c(F)cncc1Br ZINC001180199584 1049314931 /nfs/dbraw/zinc/31/49/31/1049314931.db2.gz VOMDZPDKJADMFM-UHFFFAOYSA-N 1 2 315.230 4.161 20 30 DIEDLO C#CC[N@H+](Cc1nc2c(s1)CCCC2)[C@@H]1CCc2ccccc21 ZINC001204931497 1049315916 /nfs/dbraw/zinc/31/59/16/1049315916.db2.gz YGCGQQDQMKCIKS-GOSISDBHSA-N 1 2 322.477 4.145 20 30 DIEDLO C#CC[N@@H+](Cc1nc2c(s1)CCCC2)[C@@H]1CCc2ccccc21 ZINC001204931497 1049315921 /nfs/dbraw/zinc/31/59/21/1049315921.db2.gz YGCGQQDQMKCIKS-GOSISDBHSA-N 1 2 322.477 4.145 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC001204946203 1049319808 /nfs/dbraw/zinc/31/98/08/1049319808.db2.gz MOSKITSYRPDUQA-NRFANRHFSA-N 1 2 320.436 4.488 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC001204946203 1049319813 /nfs/dbraw/zinc/31/98/13/1049319813.db2.gz MOSKITSYRPDUQA-NRFANRHFSA-N 1 2 320.436 4.488 20 30 DIEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(F)(F)F)o2)C1 ZINC001204963179 1049324786 /nfs/dbraw/zinc/32/47/86/1049324786.db2.gz RNMDMBHKKWBSRX-LBPRGKRZSA-N 1 2 320.314 4.311 20 30 DIEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C(F)(F)F)o2)C1 ZINC001204963179 1049324801 /nfs/dbraw/zinc/32/48/01/1049324801.db2.gz RNMDMBHKKWBSRX-LBPRGKRZSA-N 1 2 320.314 4.311 20 30 DIEDLO N#Cc1c(Cl)c(Cl)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204998312 1049334638 /nfs/dbraw/zinc/33/46/38/1049334638.db2.gz WCOJZLICDUPAEE-UHFFFAOYSA-N 1 2 303.152 4.256 20 30 DIEDLO CCCCCCC[C@@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001181121140 1049441822 /nfs/dbraw/zinc/44/18/22/1049441822.db2.gz DRULJJCQGVKWSQ-MRXNPFEDSA-N 1 2 305.466 4.043 20 30 DIEDLO CCCCCCC[C@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001181122548 1049443242 /nfs/dbraw/zinc/44/32/42/1049443242.db2.gz MIGLMHGMBZWJDK-HOTGVXAUSA-N 1 2 305.466 4.112 20 30 DIEDLO CCCCCCCCCOC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001194920748 1049449630 /nfs/dbraw/zinc/44/96/30/1049449630.db2.gz NUNXOCCDFAVKJN-UHFFFAOYSA-N 1 2 321.465 4.270 20 30 DIEDLO N#C[C@]1(F)CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001205414202 1049464231 /nfs/dbraw/zinc/46/42/31/1049464231.db2.gz AAWFXUBYPNCVIC-OAQYLSRUSA-N 1 2 322.427 4.026 20 30 DIEDLO N#C[C@]1(F)CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001205414202 1049464234 /nfs/dbraw/zinc/46/42/34/1049464234.db2.gz AAWFXUBYPNCVIC-OAQYLSRUSA-N 1 2 322.427 4.026 20 30 DIEDLO C=CC[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000487821216 1049576804 /nfs/dbraw/zinc/57/68/04/1049576804.db2.gz NMQCHEPXJKLPGR-LJQANCHMSA-N 1 2 317.392 4.171 20 30 DIEDLO C=C(C)CN(CC)C(=O)[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182221176 1049593217 /nfs/dbraw/zinc/59/32/17/1049593217.db2.gz PBWJZTAWLCDLGB-KRWDZBQOSA-N 1 2 322.880 4.148 20 30 DIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001205898437 1049595093 /nfs/dbraw/zinc/59/50/93/1049595093.db2.gz CBENVYHKDIPEEF-HZPDHXFCSA-N 1 2 301.434 4.263 20 30 DIEDLO c1ccc2c(c1)NCCCC2=[NH+]Nc1cccc2cnccc21 ZINC000774386175 1049655498 /nfs/dbraw/zinc/65/54/98/1049655498.db2.gz VCTUEEIMXKNODO-UHFFFAOYSA-N 1 2 302.381 4.257 20 30 DIEDLO C=C(C)[C@@H]([NH2+]CC(=C)Br)c1ccc(F)c(F)c1 ZINC000775721375 1049662440 /nfs/dbraw/zinc/66/24/40/1049662440.db2.gz XIMDFKFEOSNQGV-CYBMUJFWSA-N 1 2 302.162 4.080 20 30 DIEDLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000794721995 1049685809 /nfs/dbraw/zinc/68/58/09/1049685809.db2.gz XUDFSTMPKFAOCO-GFCCVEGCSA-N 1 2 313.788 4.014 20 30 DIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000775748163 1049703732 /nfs/dbraw/zinc/70/37/32/1049703732.db2.gz STILKHJBFOTODS-UHFFFAOYSA-N 1 2 324.811 4.207 20 30 DIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000775748163 1049703745 /nfs/dbraw/zinc/70/37/45/1049703745.db2.gz STILKHJBFOTODS-UHFFFAOYSA-N 1 2 324.811 4.207 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(F)cc1C#N ZINC000489577279 1049767081 /nfs/dbraw/zinc/76/70/81/1049767081.db2.gz LTKACZQLCWRNLH-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(F)cc1C#N ZINC000489577279 1049767088 /nfs/dbraw/zinc/76/70/88/1049767088.db2.gz LTKACZQLCWRNLH-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC001207517903 1049902044 /nfs/dbraw/zinc/90/20/44/1049902044.db2.gz AKCHEXFVECJIRY-INIZCTEOSA-N 1 2 310.372 4.354 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC001207517903 1049902048 /nfs/dbraw/zinc/90/20/48/1049902048.db2.gz AKCHEXFVECJIRY-INIZCTEOSA-N 1 2 310.372 4.354 20 30 DIEDLO N#CCC1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000571859636 1049969999 /nfs/dbraw/zinc/96/99/99/1049969999.db2.gz RZDKOVIYUGEYOQ-UHFFFAOYSA-N 1 2 301.192 4.258 20 30 DIEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@H]2c2noc(C)n2)CC1 ZINC001208177168 1049980947 /nfs/dbraw/zinc/98/09/47/1049980947.db2.gz OVFKMPIWJWDMJS-SJORKVTESA-N 1 2 301.434 4.208 20 30 DIEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@H]2c2noc(C)n2)CC1 ZINC001208177168 1049980950 /nfs/dbraw/zinc/98/09/50/1049980950.db2.gz OVFKMPIWJWDMJS-SJORKVTESA-N 1 2 301.434 4.208 20 30 DIEDLO N#Cc1ccc(-c2csc(Nc3ccc4[nH]c[nH+]c4c3)n2)s1 ZINC001209847311 1050094393 /nfs/dbraw/zinc/09/43/93/1050094393.db2.gz BNSJPZYSZHKZHS-UHFFFAOYSA-N 1 2 323.406 4.363 20 30 DIEDLO C#CCCOc1ccc(CNc2ccc([NH+](C)C)c(C)c2)cc1 ZINC000770526955 1050167120 /nfs/dbraw/zinc/16/71/20/1050167120.db2.gz FVSOMLQEJYPQTD-UHFFFAOYSA-N 1 2 308.425 4.075 20 30 DIEDLO CC(=O)c1ccc([C@H](C)Nc2cc(C3(C#N)CC3)cc[nH+]2)cc1 ZINC001171053681 1050205868 /nfs/dbraw/zinc/20/58/68/1050205868.db2.gz KROZRMXIIKVGAK-ZDUSSCGKSA-N 1 2 305.381 4.012 20 30 DIEDLO C[C@H](c1ccccc1)[N@H+](Cc1c[nH]cn1)Cc1cccc(C#N)c1 ZINC001136873001 1050209893 /nfs/dbraw/zinc/20/98/93/1050209893.db2.gz GAXSIGDFTCTYSM-MRXNPFEDSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@H](c1ccccc1)[N@@H+](Cc1c[nH]cn1)Cc1cccc(C#N)c1 ZINC001136873001 1050209907 /nfs/dbraw/zinc/20/99/07/1050209907.db2.gz GAXSIGDFTCTYSM-MRXNPFEDSA-N 1 2 316.408 4.045 20 30 DIEDLO C(=NN=C1c2ccccc2-c2ccccc21)c1cccc2[nH+]ccn21 ZINC000771097114 1050219215 /nfs/dbraw/zinc/21/92/15/1050219215.db2.gz IWAURTPQKARVEY-UHFFFAOYSA-N 1 2 322.371 4.186 20 30 DIEDLO Cc1cc(C#N)cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c1 ZINC001210387507 1050228765 /nfs/dbraw/zinc/22/87/65/1050228765.db2.gz OTNXMRGCZMOZMJ-UHFFFAOYSA-N 1 2 324.384 4.352 20 30 DIEDLO CCCCCCCC[C@@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000824856205 1050250067 /nfs/dbraw/zinc/25/00/67/1050250067.db2.gz UGKVFMXHRIIVLO-QGZVFWFLSA-N 1 2 319.493 4.433 20 30 DIEDLO CC(C)(C)[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1F ZINC000592097233 1050271267 /nfs/dbraw/zinc/27/12/67/1050271267.db2.gz HNUUGUZUQLSGNH-QGZVFWFLSA-N 1 2 315.367 4.108 20 30 DIEDLO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1ccncc1C#N ZINC000592117398 1050271620 /nfs/dbraw/zinc/27/16/20/1050271620.db2.gz ZKBLFYJDBAESSE-INIZCTEOSA-N 1 2 319.330 4.045 20 30 DIEDLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]Cc1ccncc1C#N ZINC000592117399 1050272080 /nfs/dbraw/zinc/27/20/80/1050272080.db2.gz ZKBLFYJDBAESSE-MRXNPFEDSA-N 1 2 319.330 4.045 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4c(cccc4Cl)C3=O)n2c1 ZINC000771860980 1050284841 /nfs/dbraw/zinc/28/48/41/1050284841.db2.gz UIHOIKDJMDXNOS-GHXNOFRVSA-N 1 2 308.768 4.119 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(F)c(Cl)c3)n2c1 ZINC000771862528 1050285979 /nfs/dbraw/zinc/28/59/79/1050285979.db2.gz XHIXNANRAWMLJL-XQRVVYSFSA-N 1 2 314.747 4.331 20 30 DIEDLO N#Cc1cc(Cl)cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001210538237 1050287539 /nfs/dbraw/zinc/28/75/39/1050287539.db2.gz XOBIYAUQRXSOMZ-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3/CSc4ccc(F)cc4C3=O)n2c1 ZINC000771849890 1050291175 /nfs/dbraw/zinc/29/11/75/1050291175.db2.gz HQXVNFHXAQMAJP-SDQBBNPISA-N 1 2 324.380 4.154 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cc4c(s3)CCC4)n2c1 ZINC000771859711 1050294118 /nfs/dbraw/zinc/29/41/18/1050294118.db2.gz CSNNXTUVNWFXAX-VOTSOKGWSA-N 1 2 308.406 4.089 20 30 DIEDLO CC(C)(C)OC(=O)Nc1cc(Nc2ccccc2C#N)cc[nH+]1 ZINC001210734871 1050355535 /nfs/dbraw/zinc/35/55/35/1050355535.db2.gz VHJJIEMWHGRXMQ-UHFFFAOYSA-N 1 2 310.357 4.044 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](C)c1cccc(C(=O)OC)c1 ZINC001171102409 1050355647 /nfs/dbraw/zinc/35/56/47/1050355647.db2.gz LTUOFBFIRQMTSQ-AWEZNQCLSA-N 1 2 310.397 4.078 20 30 DIEDLO CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001143831483 1050375255 /nfs/dbraw/zinc/37/52/55/1050375255.db2.gz PKUFTCBFNZKFDU-LBPRGKRZSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1c(Cl)ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001143831483 1050375265 /nfs/dbraw/zinc/37/52/65/1050375265.db2.gz PKUFTCBFNZKFDU-LBPRGKRZSA-N 1 2 310.800 4.003 20 30 DIEDLO N#CC1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CCCC1 ZINC000593653470 1050433076 /nfs/dbraw/zinc/43/30/76/1050433076.db2.gz MEKISUVTCBWEBT-UHFFFAOYSA-N 1 2 317.864 4.114 20 30 DIEDLO CCOc1c(F)cc(C[N@H+](CCC#N)C2CCCC2)cc1F ZINC001144025651 1050444591 /nfs/dbraw/zinc/44/45/91/1050444591.db2.gz LHHXMBAKTXRIQG-UHFFFAOYSA-N 1 2 308.372 4.022 20 30 DIEDLO CCOc1c(F)cc(C[N@@H+](CCC#N)C2CCCC2)cc1F ZINC001144025651 1050444595 /nfs/dbraw/zinc/44/45/95/1050444595.db2.gz LHHXMBAKTXRIQG-UHFFFAOYSA-N 1 2 308.372 4.022 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)ccc1F ZINC001171132079 1050449024 /nfs/dbraw/zinc/44/90/24/1050449024.db2.gz CQOHYLNVQUCJMK-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)ccc1F ZINC001171132079 1050449031 /nfs/dbraw/zinc/44/90/31/1050449031.db2.gz CQOHYLNVQUCJMK-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(F)cc1F ZINC001144133560 1050475551 /nfs/dbraw/zinc/47/55/51/1050475551.db2.gz DDWBWIOABVKUEC-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(F)cc1F ZINC001144133560 1050475562 /nfs/dbraw/zinc/47/55/62/1050475562.db2.gz DDWBWIOABVKUEC-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO Cc1cnc(C#N)c(Nc2ccc(N(C)C3CCCCC3)[nH+]c2)c1 ZINC001212613424 1050476738 /nfs/dbraw/zinc/47/67/38/1050476738.db2.gz SPMHOVFNVGYTDP-UHFFFAOYSA-N 1 2 321.428 4.169 20 30 DIEDLO Cc1cc(CC(C)C)[nH+]cc1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211328719 1050546958 /nfs/dbraw/zinc/54/69/58/1050546958.db2.gz MISVEDWLZIAWTO-UHFFFAOYSA-N 1 2 310.357 4.112 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171167808 1050550734 /nfs/dbraw/zinc/55/07/34/1050550734.db2.gz YLQNFQGAUHMHCO-SMDDNHRTSA-N 1 2 309.240 4.086 20 30 DIEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171167808 1050550745 /nfs/dbraw/zinc/55/07/45/1050550745.db2.gz YLQNFQGAUHMHCO-SMDDNHRTSA-N 1 2 309.240 4.086 20 30 DIEDLO N#CC1(c2ccc(CNc3c[nH+]cc4c3CCCC4)cc2)CC1 ZINC000594742669 1050553918 /nfs/dbraw/zinc/55/39/18/1050553918.db2.gz MJFKSPPGGITUOJ-UHFFFAOYSA-N 1 2 303.409 4.128 20 30 DIEDLO C=C(Br)C[N@@H+](CCC)[C@H](C)c1ccccc1OC ZINC000746651777 1050559525 /nfs/dbraw/zinc/55/95/25/1050559525.db2.gz KTHLUHAINBSJEC-CYBMUJFWSA-N 1 2 312.251 4.377 20 30 DIEDLO C=C(Br)C[N@H+](CCC)[C@H](C)c1ccccc1OC ZINC000746651777 1050559532 /nfs/dbraw/zinc/55/95/32/1050559532.db2.gz KTHLUHAINBSJEC-CYBMUJFWSA-N 1 2 312.251 4.377 20 30 DIEDLO C=C(Cl)C[N@@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000746657012 1050561780 /nfs/dbraw/zinc/56/17/80/1050561780.db2.gz CJNMDGZCLKCBDX-LBPRGKRZSA-N 1 2 321.770 4.467 20 30 DIEDLO C=C(Cl)C[N@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000746657012 1050561792 /nfs/dbraw/zinc/56/17/92/1050561792.db2.gz CJNMDGZCLKCBDX-LBPRGKRZSA-N 1 2 321.770 4.467 20 30 DIEDLO Cc1cc(Cl)nc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1C#N ZINC001213088168 1050582559 /nfs/dbraw/zinc/58/25/59/1050582559.db2.gz TZCQCTAITSCUPI-UHFFFAOYSA-N 1 2 309.760 4.049 20 30 DIEDLO COc1ncc(C[N@H+](CCC#N)C2CCCCCCC2)cc1F ZINC001144462557 1050590353 /nfs/dbraw/zinc/59/03/53/1050590353.db2.gz ITUAYVOTBMJTKQ-UHFFFAOYSA-N 1 2 319.424 4.058 20 30 DIEDLO COc1ncc(C[N@@H+](CCC#N)C2CCCCCCC2)cc1F ZINC001144462557 1050590367 /nfs/dbraw/zinc/59/03/67/1050590367.db2.gz ITUAYVOTBMJTKQ-UHFFFAOYSA-N 1 2 319.424 4.058 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000595623111 1050652389 /nfs/dbraw/zinc/65/23/89/1050652389.db2.gz HTMPFFNGRKFUJO-CQSZACIVSA-N 1 2 303.475 4.316 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000595623111 1050652400 /nfs/dbraw/zinc/65/24/00/1050652400.db2.gz HTMPFFNGRKFUJO-CQSZACIVSA-N 1 2 303.475 4.316 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000595618620 1050653021 /nfs/dbraw/zinc/65/30/21/1050653021.db2.gz YVZLHKHCXVSKIF-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000595618620 1050653031 /nfs/dbraw/zinc/65/30/31/1050653031.db2.gz YVZLHKHCXVSKIF-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO Cc1cc(Oc2ccc(Nc3ccc(N)c(C#N)c3)cc2)cc[nH+]1 ZINC001213441505 1050656540 /nfs/dbraw/zinc/65/65/40/1050656540.db2.gz XVGHDASKTKSJQJ-UHFFFAOYSA-N 1 2 316.364 4.380 20 30 DIEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611116 1050657160 /nfs/dbraw/zinc/65/71/60/1050657160.db2.gz HDAAYAMODYROGP-STQMWFEESA-N 1 2 318.371 4.118 20 30 DIEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611116 1050657166 /nfs/dbraw/zinc/65/71/66/1050657166.db2.gz HDAAYAMODYROGP-STQMWFEESA-N 1 2 318.371 4.118 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1F ZINC000595673961 1050659758 /nfs/dbraw/zinc/65/97/58/1050659758.db2.gz GXVRZXSENSRPEY-SFHVURJKSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1F ZINC000595673961 1050659762 /nfs/dbraw/zinc/65/97/62/1050659762.db2.gz GXVRZXSENSRPEY-SFHVURJKSA-N 1 2 310.372 4.408 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000595843043 1050671430 /nfs/dbraw/zinc/67/14/30/1050671430.db2.gz XRTSSTAIFFTHGJ-HXUWFJFHSA-N 1 2 306.409 4.001 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000595843043 1050671435 /nfs/dbraw/zinc/67/14/35/1050671435.db2.gz XRTSSTAIFFTHGJ-HXUWFJFHSA-N 1 2 306.409 4.001 20 30 DIEDLO CC(C)O[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000593122850 1050671483 /nfs/dbraw/zinc/67/14/83/1050671483.db2.gz AGJIMHMQPBRZBU-HXUWFJFHSA-N 1 2 306.409 4.040 20 30 DIEDLO CC(C)O[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000593122850 1050671486 /nfs/dbraw/zinc/67/14/86/1050671486.db2.gz AGJIMHMQPBRZBU-HXUWFJFHSA-N 1 2 306.409 4.040 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000595844535 1050673193 /nfs/dbraw/zinc/67/31/93/1050673193.db2.gz UOZVDWWYANXQLT-HZPDHXFCSA-N 1 2 319.246 4.062 20 30 DIEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000595844535 1050673199 /nfs/dbraw/zinc/67/31/99/1050673199.db2.gz UOZVDWWYANXQLT-HZPDHXFCSA-N 1 2 319.246 4.062 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000595844533 1050673562 /nfs/dbraw/zinc/67/35/62/1050673562.db2.gz UOZVDWWYANXQLT-CVEARBPZSA-N 1 2 319.246 4.062 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000595844533 1050673569 /nfs/dbraw/zinc/67/35/69/1050673569.db2.gz UOZVDWWYANXQLT-CVEARBPZSA-N 1 2 319.246 4.062 20 30 DIEDLO Cc1c[nH+]cc(Nc2c(C#N)cnn2-c2cccc(Cl)c2)c1C ZINC001213527380 1050678651 /nfs/dbraw/zinc/67/86/51/1050678651.db2.gz IQTBCWSBEAYWEB-UHFFFAOYSA-N 1 2 323.787 4.153 20 30 DIEDLO Cc1c[nH+]cc(Nc2cc(Br)ccc2C#N)c1C ZINC001213531059 1050681726 /nfs/dbraw/zinc/68/17/26/1050681726.db2.gz UFVKLAVJUYCCDX-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1c[nH+]cc(Nc2ccc(N3CCCCC3)c(C#N)c2)c1C ZINC001213532416 1050681984 /nfs/dbraw/zinc/68/19/84/1050681984.db2.gz GYYXEJHKUDZHHT-UHFFFAOYSA-N 1 2 306.413 4.304 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3cn(C)c4ccccc34)c[nH+]c12 ZINC000741469029 1050684674 /nfs/dbraw/zinc/68/46/74/1050684674.db2.gz ZPXQCZJLCWVELE-MDZDMXLPSA-N 1 2 315.376 4.031 20 30 DIEDLO CCCOc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000741471242 1050684724 /nfs/dbraw/zinc/68/47/24/1050684724.db2.gz KJSDOTUONDNNHR-DHZHZOJOSA-N 1 2 320.392 4.328 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc(F)cc1 ZINC000737442217 1050724869 /nfs/dbraw/zinc/72/48/69/1050724869.db2.gz AFZSGCPRQZEIBR-VOTSOKGWSA-N 1 2 300.720 4.023 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc(F)cc1F ZINC000737443199 1050725953 /nfs/dbraw/zinc/72/59/53/1050725953.db2.gz INYJFHFKPUOUDI-HWKANZROSA-N 1 2 318.710 4.162 20 30 DIEDLO CCc1cccc(Cl)c1C=NNc1cc[nH+]c2ccccc12 ZINC000788713649 1050731586 /nfs/dbraw/zinc/73/15/86/1050731586.db2.gz DWEJXZOFXNQTGS-UHFFFAOYSA-N 1 2 309.800 4.319 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1c[nH]c2ccccc12 ZINC000737445183 1050734711 /nfs/dbraw/zinc/73/47/11/1050734711.db2.gz XRCRGJZORRGIMB-SREVYHEPSA-N 1 2 321.767 4.365 20 30 DIEDLO C[C@@H](CCc1cccn1C)/[NH+]=C\c1c(O)ccc2ccccc12 ZINC000741842102 1050752596 /nfs/dbraw/zinc/75/25/96/1050752596.db2.gz DZVZHPFLTACMHP-JTMDUIFQSA-N 1 2 306.409 4.324 20 30 DIEDLO CCCc1cc(NCc2ccc(C#N)c(F)c2)nc(CCC)[nH+]1 ZINC001170090606 1050758669 /nfs/dbraw/zinc/75/86/69/1050758669.db2.gz IEHUUQDEIAFESL-UHFFFAOYSA-N 1 2 312.392 4.004 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2ccc(SC)cc2nc1Cl ZINC000846993137 1050795631 /nfs/dbraw/zinc/79/56/31/1050795631.db2.gz MRWPJMRHFSUZRJ-ZDUSSCGKSA-N 1 2 319.861 4.392 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000597173925 1050818541 /nfs/dbraw/zinc/81/85/41/1050818541.db2.gz NRPWKUVCLSZYLB-NSHDSACASA-N 1 2 314.763 4.067 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000597173925 1050818556 /nfs/dbraw/zinc/81/85/56/1050818556.db2.gz NRPWKUVCLSZYLB-NSHDSACASA-N 1 2 314.763 4.067 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000597232007 1050827144 /nfs/dbraw/zinc/82/71/44/1050827144.db2.gz QNFIYUZUSPLCSC-MRXNPFEDSA-N 1 2 317.845 4.199 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000597232007 1050827157 /nfs/dbraw/zinc/82/71/57/1050827157.db2.gz QNFIYUZUSPLCSC-MRXNPFEDSA-N 1 2 317.845 4.199 20 30 DIEDLO CCOc1cccc(/C=[NH+]/CC[C@@H](OCC)C2CCCC2)c1O ZINC000746817414 1050831546 /nfs/dbraw/zinc/83/15/46/1050831546.db2.gz YOTCTAYVGHVIIT-HDAKKWKLSA-N 1 2 319.445 4.195 20 30 DIEDLO Cc1ccc([C@@H]2OCCC[C@H]2C/[NH+]=C/c2ccccc2O)cc1 ZINC000743045691 1050978834 /nfs/dbraw/zinc/97/88/34/1050978834.db2.gz UAYSIVXYFJEBAV-XNWDXEOPSA-N 1 2 309.409 4.287 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001171372088 1051026504 /nfs/dbraw/zinc/02/65/04/1051026504.db2.gz DNJCLPRQEMCRPK-OAHLLOKOSA-N 1 2 319.408 4.375 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1ccc2[nH+]cn(C)c2c1 ZINC001171373617 1051033504 /nfs/dbraw/zinc/03/35/04/1051033504.db2.gz KAEOQALGDOUTHJ-CQSZACIVSA-N 1 2 307.397 4.311 20 30 DIEDLO C[C@H](C#N)[N@@H+](C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171653523 1051184020 /nfs/dbraw/zinc/18/40/20/1051184020.db2.gz HOSVYIFEBSEGHS-XEBKBJJBSA-N 1 2 321.262 4.319 20 30 DIEDLO C[C@H](C#N)[N@H+](C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171653523 1051184013 /nfs/dbraw/zinc/18/40/13/1051184013.db2.gz HOSVYIFEBSEGHS-XEBKBJJBSA-N 1 2 321.262 4.319 20 30 DIEDLO C[Si](C)(C)C#C[NH2+][C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001170308433 1051188357 /nfs/dbraw/zinc/18/83/57/1051188357.db2.gz LYOQSBPLHFJOGB-QGZVFWFLSA-N 1 2 319.908 4.106 20 30 DIEDLO CC(C)(C)OC(=O)C1CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001171910648 1051238749 /nfs/dbraw/zinc/23/87/49/1051238749.db2.gz XSCMFHGEXHIWOV-UHFFFAOYSA-N 1 2 320.477 4.093 20 30 DIEDLO CCc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)o1 ZINC000752237439 1051357333 /nfs/dbraw/zinc/35/73/33/1051357333.db2.gz GEAMIMSGTMJUJL-XQRVVYSFSA-N 1 2 300.745 4.039 20 30 DIEDLO C[C@@H](CCCC#N)[N@@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001172506423 1051424010 /nfs/dbraw/zinc/42/40/10/1051424010.db2.gz UBRUAHNGHRHDGE-DOTOQJQBSA-N 1 2 306.400 4.269 20 30 DIEDLO C[C@@H](CCCC#N)[N@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001172506423 1051424012 /nfs/dbraw/zinc/42/40/12/1051424012.db2.gz UBRUAHNGHRHDGE-DOTOQJQBSA-N 1 2 306.400 4.269 20 30 DIEDLO C[C@@H](CCCC#N)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001172506193 1051424311 /nfs/dbraw/zinc/42/43/11/1051424311.db2.gz PUJYUKGKKXRFIM-GOEBONIOSA-N 1 2 324.390 4.408 20 30 DIEDLO C[C@@H](CCCC#N)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001172506193 1051424319 /nfs/dbraw/zinc/42/43/19/1051424319.db2.gz PUJYUKGKKXRFIM-GOEBONIOSA-N 1 2 324.390 4.408 20 30 DIEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC001212695385 1051583735 /nfs/dbraw/zinc/58/37/35/1051583735.db2.gz DLEHNXMJINUFSH-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO O=C1C=C2C[N@H+](C3CCC4(CCCCC4)CC3)CC[C@@H]2S1 ZINC001173116328 1051614144 /nfs/dbraw/zinc/61/41/44/1051614144.db2.gz MANGALGQFSUDKP-INIZCTEOSA-N 1 2 305.487 4.154 20 30 DIEDLO O=C1C=C2C[N@@H+](C3CCC4(CCCCC4)CC3)CC[C@@H]2S1 ZINC001173116328 1051614148 /nfs/dbraw/zinc/61/41/48/1051614148.db2.gz MANGALGQFSUDKP-INIZCTEOSA-N 1 2 305.487 4.154 20 30 DIEDLO C[C@@H]1CCCCN1c1cccc(NC2=CC(=O)CC(C)(C)C2)[nH+]1 ZINC001169947277 1051734837 /nfs/dbraw/zinc/73/48/37/1051734837.db2.gz WXRMREJYDMGDGC-CQSZACIVSA-N 1 2 313.445 4.145 20 30 DIEDLO CCCN(CCC)c1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000767290269 1051784993 /nfs/dbraw/zinc/78/49/93/1051784993.db2.gz HSQLEBTUBSWHHN-UHFFFAOYSA-N 1 2 322.456 4.386 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187369768 1051843516 /nfs/dbraw/zinc/84/35/16/1051843516.db2.gz FKFYAEDMBTYPSQ-HNNXBMFYSA-N 1 2 324.352 4.342 20 30 DIEDLO C=C(Cl)C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000763433243 1051851062 /nfs/dbraw/zinc/85/10/62/1051851062.db2.gz OXSCRQOGUJMQED-UHFFFAOYSA-N 1 2 324.255 4.044 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1ccccc1OCc1ccncc1 ZINC000768154456 1051890134 /nfs/dbraw/zinc/89/01/34/1051890134.db2.gz UADJLWDWBMLTKW-UHFFFAOYSA-N 1 2 323.440 4.032 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccccc1OCc1ccncc1 ZINC000768154456 1051890144 /nfs/dbraw/zinc/89/01/44/1051890144.db2.gz UADJLWDWBMLTKW-UHFFFAOYSA-N 1 2 323.440 4.032 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000769164889 1052005606 /nfs/dbraw/zinc/00/56/06/1052005606.db2.gz VQNFVHNDVYDPRK-QEEYODRMSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000769164889 1052005613 /nfs/dbraw/zinc/00/56/13/1052005613.db2.gz VQNFVHNDVYDPRK-QEEYODRMSA-N 1 2 324.399 4.048 20 30 DIEDLO N#CC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCCC1 ZINC000769466621 1052060357 /nfs/dbraw/zinc/06/03/57/1052060357.db2.gz NSOYHCAPFWNOGC-UHFFFAOYSA-N 1 2 306.409 4.327 20 30 DIEDLO N#CC[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCCC1 ZINC000769466621 1052060374 /nfs/dbraw/zinc/06/03/74/1052060374.db2.gz NSOYHCAPFWNOGC-UHFFFAOYSA-N 1 2 306.409 4.327 20 30 DIEDLO CC(=[NH+]Nc1cccc2cnccc21)c1ccccc1N(C)C ZINC000769573487 1052082826 /nfs/dbraw/zinc/08/28/26/1052082826.db2.gz DKJASTRXVQMPME-UHFFFAOYSA-N 1 2 304.397 4.137 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1c[nH]c2cc(Cl)ccc12 ZINC000769607340 1052086442 /nfs/dbraw/zinc/08/64/42/1052086442.db2.gz JARRRYBUXQDGCT-ALCCZGGFSA-N 1 2 321.767 4.365 20 30 DIEDLO Fc1cccc(Cl)c1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000769826796 1052114433 /nfs/dbraw/zinc/11/44/33/1052114433.db2.gz JGGNBJCOQTZEQV-UHFFFAOYSA-N 1 2 320.780 4.172 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3ccc(C#N)cc3C#N)ccc21 ZINC001174384610 1052144798 /nfs/dbraw/zinc/14/47/98/1052144798.db2.gz JBQJYWPJSRPFBX-UHFFFAOYSA-N 1 2 301.353 4.104 20 30 DIEDLO N#Cc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1C(F)(F)F ZINC001174411028 1052164787 /nfs/dbraw/zinc/16/47/87/1052164787.db2.gz FHYXTYPTIIOJBQ-UHFFFAOYSA-N 1 2 302.259 4.149 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(-c2ccccc2)o1 ZINC000761805018 1052209011 /nfs/dbraw/zinc/20/90/11/1052209011.db2.gz VVRKSVQUZHYPPE-MDZDMXLPSA-N 1 2 314.344 4.490 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](c1ccccn1)C(F)(F)F ZINC001168482082 1052266611 /nfs/dbraw/zinc/26/66/11/1052266611.db2.gz STGPPZFOQIUGBH-AWEZNQCLSA-N 1 2 307.319 4.229 20 30 DIEDLO Cc1nc(CC/[NH+]=C/c2c(O)ccc3ccccc32)sc1C ZINC000763097055 1052499698 /nfs/dbraw/zinc/49/96/98/1052499698.db2.gz NSECUISHBDGMKH-YBFXNURJSA-N 1 2 310.422 4.280 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3\C(=O)c4cccc5c4[C@@H]3CCC5)n21 ZINC000763287322 1052556201 /nfs/dbraw/zinc/55/62/01/1052556201.db2.gz BNHJFCPDSMGECV-CJMVGXJBSA-N 1 2 314.388 4.343 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3/C(=O)c4cccc5c4[C@H]3CCC5)n2c1 ZINC000763290646 1052557305 /nfs/dbraw/zinc/55/73/05/1052557305.db2.gz RRSMMCCIEDREHZ-HKJBKDEOSA-N 1 2 314.388 4.343 20 30 DIEDLO C=CCCCCCOC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC001224427674 1052696196 /nfs/dbraw/zinc/69/61/96/1052696196.db2.gz HAIIQCFPQTYUPP-UHFFFAOYSA-N 1 2 321.486 4.158 20 30 DIEDLO C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3cc[nH+]cc3)[C@@H]12 ZINC001225291290 1052769790 /nfs/dbraw/zinc/76/97/90/1052769790.db2.gz RMCXQJYZKRYHDP-LQQYDMKDSA-N 1 2 307.393 4.488 20 30 DIEDLO C=C(Br)C[N@@H+](C)Cc1c2ccccc2oc1CC ZINC000919650722 1052880140 /nfs/dbraw/zinc/88/01/40/1052880140.db2.gz MUNKESSGOBCDDW-UHFFFAOYSA-N 1 2 308.219 4.336 20 30 DIEDLO C=C(Br)C[N@H+](C)Cc1c2ccccc2oc1CC ZINC000919650722 1052880143 /nfs/dbraw/zinc/88/01/43/1052880143.db2.gz MUNKESSGOBCDDW-UHFFFAOYSA-N 1 2 308.219 4.336 20 30 DIEDLO C[N@H+](Cc1ccccc1OCc1ccccc1)CC(C)(C)C#N ZINC000556909657 1052897432 /nfs/dbraw/zinc/89/74/32/1052897432.db2.gz KBJCFEGILCVWIY-UHFFFAOYSA-N 1 2 308.425 4.247 20 30 DIEDLO C[N@@H+](Cc1ccccc1OCc1ccccc1)CC(C)(C)C#N ZINC000556909657 1052897435 /nfs/dbraw/zinc/89/74/35/1052897435.db2.gz KBJCFEGILCVWIY-UHFFFAOYSA-N 1 2 308.425 4.247 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cc(F)ccc1F ZINC000179799178 1053027820 /nfs/dbraw/zinc/02/78/20/1053027820.db2.gz LEBYOCHVINYXRB-QGZVFWFLSA-N 1 2 304.315 4.216 20 30 DIEDLO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000069097346 1053120666 /nfs/dbraw/zinc/12/06/66/1053120666.db2.gz HVGRCOKGBNRDRB-KRWDZBQOSA-N 1 2 315.420 4.372 20 30 DIEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000069097346 1053120673 /nfs/dbraw/zinc/12/06/73/1053120673.db2.gz HVGRCOKGBNRDRB-KRWDZBQOSA-N 1 2 315.420 4.372 20 30 DIEDLO CC(C)Oc1ccccc1/C=[NH+]/CCC/N=C/c1ccccc1O ZINC001229383661 1053311350 /nfs/dbraw/zinc/31/13/50/1053311350.db2.gz OMOTUCCLQJGUGT-NNFYUIBOSA-N 1 2 324.424 4.108 20 30 DIEDLO Cc1cc(NC2CC(C#N)(c3ccccc3)C2)ccc1[NH+](C)C ZINC001320576410 1053345493 /nfs/dbraw/zinc/34/54/93/1053345493.db2.gz DVOAGVXPIUALED-UHFFFAOYSA-N 1 2 305.425 4.097 20 30 DIEDLO N#CCC1CC[NH+](Cn2cc(-c3ccccc3)oc2=S)CC1 ZINC001320821904 1053364332 /nfs/dbraw/zinc/36/43/32/1053364332.db2.gz HGFTYUSNGWJTCX-UHFFFAOYSA-N 1 2 313.426 4.061 20 30 DIEDLO CCCCCCCCCCNC(=S)Nc1c[nH+]c(C)n1C ZINC001200208986 1053467240 /nfs/dbraw/zinc/46/72/40/1053467240.db2.gz WNXRLXPESJARPX-UHFFFAOYSA-N 1 2 310.511 4.156 20 30 DIEDLO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1F ZINC000619725146 1053541135 /nfs/dbraw/zinc/54/11/35/1053541135.db2.gz CBRRQYGWPRKDAC-QZTJIDSGSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1F ZINC000619725146 1053541148 /nfs/dbraw/zinc/54/11/48/1053541148.db2.gz CBRRQYGWPRKDAC-QZTJIDSGSA-N 1 2 324.399 4.106 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cc2ccccc2s1 ZINC001322819750 1053543937 /nfs/dbraw/zinc/54/39/37/1053543937.db2.gz LXBNEZAPADBWMH-MDZDMXLPSA-N 1 2 308.406 4.258 20 30 DIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000619782684 1053559264 /nfs/dbraw/zinc/55/92/64/1053559264.db2.gz BSISITBMGTZSQC-UHFFFAOYSA-N 1 2 324.399 4.021 20 30 DIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCOc2cccc(F)c2C1 ZINC000619782684 1053559276 /nfs/dbraw/zinc/55/92/76/1053559276.db2.gz BSISITBMGTZSQC-UHFFFAOYSA-N 1 2 324.399 4.021 20 30 DIEDLO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(Cl)cc1C#N ZINC001324151279 1053630595 /nfs/dbraw/zinc/63/05/95/1053630595.db2.gz UCZMGWBPJZNERB-UHFFFAOYSA-N 1 2 309.800 4.325 20 30 DIEDLO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(Cl)cc1C#N ZINC001324151279 1053630608 /nfs/dbraw/zinc/63/06/08/1053630608.db2.gz UCZMGWBPJZNERB-UHFFFAOYSA-N 1 2 309.800 4.325 20 30 DIEDLO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccc(-c3[nH]cc[nH+]3)cc2)O1 ZINC001231082308 1053671258 /nfs/dbraw/zinc/67/12/58/1053671258.db2.gz ULZOWQVHYPAEDP-VQIMIIECSA-N 1 2 312.413 4.358 20 30 DIEDLO N#Cc1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000080948869 1053868288 /nfs/dbraw/zinc/86/82/88/1053868288.db2.gz NYMKELIJLSSWKA-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001231862024 1053895339 /nfs/dbraw/zinc/89/53/39/1053895339.db2.gz WXNKPOSWLQXWPM-UHFFFAOYSA-N 1 2 318.289 4.109 20 30 DIEDLO COc1cccc2[nH]cc(C[N@H+](CCC#N)Cc3ccccc3)c21 ZINC001232034190 1053945321 /nfs/dbraw/zinc/94/53/21/1053945321.db2.gz XZRICPJBWHMFQH-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO COc1cccc2[nH]cc(C[N@@H+](CCC#N)Cc3ccccc3)c21 ZINC001232034190 1053945334 /nfs/dbraw/zinc/94/53/34/1053945334.db2.gz XZRICPJBWHMFQH-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO COc1cc(C[N@H+](CCC#N)C2CCCC2)c(OC)cc1Cl ZINC001232372159 1054030500 /nfs/dbraw/zinc/03/05/00/1054030500.db2.gz JMKLHORCHRAPIN-UHFFFAOYSA-N 1 2 322.836 4.015 20 30 DIEDLO COc1cc(C[N@@H+](CCC#N)C2CCCC2)c(OC)cc1Cl ZINC001232372159 1054030512 /nfs/dbraw/zinc/03/05/12/1054030512.db2.gz JMKLHORCHRAPIN-UHFFFAOYSA-N 1 2 322.836 4.015 20 30 DIEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nc(C(C)(C)C)cs1 ZINC000184463515 1054045439 /nfs/dbraw/zinc/04/54/39/1054045439.db2.gz KGYWPUBHOBKTIR-LLVKDONJSA-N 1 2 317.433 4.302 20 30 DIEDLO CC[N@H+](Cc1cc(C#N)ccn1)Cc1ccc(Cl)cc1Cl ZINC001232482572 1054057401 /nfs/dbraw/zinc/05/74/01/1054057401.db2.gz ZBECYFFAAYKAEY-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO CC[N@@H+](Cc1cc(C#N)ccn1)Cc1ccc(Cl)cc1Cl ZINC001232482572 1054057413 /nfs/dbraw/zinc/05/74/13/1054057413.db2.gz ZBECYFFAAYKAEY-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1C#N ZINC001232608923 1054080020 /nfs/dbraw/zinc/08/00/20/1054080020.db2.gz AVRBYQJWGJXMBD-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1C#N ZINC001232608923 1054080030 /nfs/dbraw/zinc/08/00/30/1054080030.db2.gz AVRBYQJWGJXMBD-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2ccccc2F)c1 ZINC001232680215 1054099474 /nfs/dbraw/zinc/09/94/74/1054099474.db2.gz ZCICUDDUPQOGLX-SFHVURJKSA-N 1 2 310.372 4.130 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2ccccc2F)c1 ZINC001232680215 1054099488 /nfs/dbraw/zinc/09/94/88/1054099488.db2.gz ZCICUDDUPQOGLX-SFHVURJKSA-N 1 2 310.372 4.130 20 30 DIEDLO Cc1cc([NH+](C)C)ccc1NCc1ccc(C(C)(C)C#N)cc1 ZINC000848529968 1054129176 /nfs/dbraw/zinc/12/91/76/1054129176.db2.gz AODKCJKCWCMWKY-UHFFFAOYSA-N 1 2 307.441 4.474 20 30 DIEDLO COc1cccc([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2C#N)c1 ZINC001232891952 1054141887 /nfs/dbraw/zinc/14/18/87/1054141887.db2.gz VLUIUDNUBJVWJJ-HXUWFJFHSA-N 1 2 324.399 4.433 20 30 DIEDLO COc1cccc([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2C#N)c1 ZINC001232891952 1054141890 /nfs/dbraw/zinc/14/18/90/1054141890.db2.gz VLUIUDNUBJVWJJ-HXUWFJFHSA-N 1 2 324.399 4.433 20 30 DIEDLO CCc1nc([C@H](C)[NH2+]Cc2cc(Cl)cc(C#N)c2)cs1 ZINC001333329933 1054151549 /nfs/dbraw/zinc/15/15/49/1054151549.db2.gz OVVMGIJCXXESGB-JTQLQIEISA-N 1 2 305.834 4.081 20 30 DIEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001233046619 1054177375 /nfs/dbraw/zinc/17/73/75/1054177375.db2.gz DABCTGVTBLKOKP-CYBMUJFWSA-N 1 2 320.223 4.183 20 30 DIEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001233046619 1054177381 /nfs/dbraw/zinc/17/73/81/1054177381.db2.gz DABCTGVTBLKOKP-CYBMUJFWSA-N 1 2 320.223 4.183 20 30 DIEDLO N#CCC[N@H+](Cc1cc2cccnc2s1)Cc1ccccc1 ZINC001233345038 1054241234 /nfs/dbraw/zinc/24/12/34/1054241234.db2.gz CSKPEBJLSAEZGT-UHFFFAOYSA-N 1 2 307.422 4.212 20 30 DIEDLO N#CCC[N@@H+](Cc1cc2cccnc2s1)Cc1ccccc1 ZINC001233345038 1054241240 /nfs/dbraw/zinc/24/12/40/1054241240.db2.gz CSKPEBJLSAEZGT-UHFFFAOYSA-N 1 2 307.422 4.212 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccnc1N(C)C ZINC001343223745 1054439346 /nfs/dbraw/zinc/43/93/46/1054439346.db2.gz NVHBBXRKQGKWBR-UHFFFAOYSA-N 1 2 321.877 4.051 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccnc1N(C)C ZINC001343223745 1054439355 /nfs/dbraw/zinc/43/93/55/1054439355.db2.gz NVHBBXRKQGKWBR-UHFFFAOYSA-N 1 2 321.877 4.051 20 30 DIEDLO CSc1ccccc1C(=O)/C=C\c1c[nH+]c2ccc(C)cn12 ZINC001344573417 1054474678 /nfs/dbraw/zinc/47/46/78/1054474678.db2.gz BLIHIPGITUDWKG-HJWRWDBZSA-N 1 2 308.406 4.261 20 30 DIEDLO CCc1c2ccccc2oc1C(=O)/C=C/c1ccc[nH+]c1N(C)C ZINC001346401902 1054534396 /nfs/dbraw/zinc/53/43/96/1054534396.db2.gz ORRMIVVMJRGNNT-VAWYXSNFSA-N 1 2 320.392 4.352 20 30 DIEDLO CCSc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1 ZINC001346401556 1054535050 /nfs/dbraw/zinc/53/50/50/1054535050.db2.gz MOPKQQQTYLMHHO-XFXZXTDPSA-N 1 2 312.438 4.156 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cccc(C(F)(F)F)c1 ZINC001346403765 1054535244 /nfs/dbraw/zinc/53/52/44/1054535244.db2.gz WZJGIDYNYUXKIS-HJWRWDBZSA-N 1 2 320.314 4.063 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cccc(C(F)(F)F)c1 ZINC001346403762 1054535372 /nfs/dbraw/zinc/53/53/72/1054535372.db2.gz WZJGIDYNYUXKIS-CMDGGOBGSA-N 1 2 320.314 4.063 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cccn1C1CC1)c1ccc(Cl)cc1F ZINC001347791240 1054583659 /nfs/dbraw/zinc/58/36/59/1054583659.db2.gz BABQCJMYRITTFS-KRWDZBQOSA-N 1 2 302.780 4.080 20 30 DIEDLO COc1ccc(C[N@H+](CCC#N)C2CCCC2)c(OC(C)C)c1 ZINC001234713955 1054585091 /nfs/dbraw/zinc/58/50/91/1054585091.db2.gz DBTBXPUVLIEPEU-UHFFFAOYSA-N 1 2 316.445 4.141 20 30 DIEDLO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(OC(C)C)c1 ZINC001234713955 1054585100 /nfs/dbraw/zinc/58/51/00/1054585100.db2.gz DBTBXPUVLIEPEU-UHFFFAOYSA-N 1 2 316.445 4.141 20 30 DIEDLO C=CC[NH+](CC=C)Cc1cccc(Br)c1Cl ZINC001235603551 1054754270 /nfs/dbraw/zinc/75/42/70/1054754270.db2.gz JAEWRABAOCLZSP-UHFFFAOYSA-N 1 2 300.627 4.277 20 30 DIEDLO C=C(C)CCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001349558361 1054766586 /nfs/dbraw/zinc/76/65/86/1054766586.db2.gz BJPDLLHDLYTJSF-UHFFFAOYSA-N 1 2 309.413 4.181 20 30 DIEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)c(Cl)cc1Cl ZINC000194076842 1055114809 /nfs/dbraw/zinc/11/48/09/1055114809.db2.gz WZZTYFMMZKNCCQ-UWVGGRQHSA-N 1 2 314.191 4.227 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cc2c(s1)CCCC2 ZINC000764432372 1055183598 /nfs/dbraw/zinc/18/35/98/1055183598.db2.gz MEYLXVBASCJTOY-CMDGGOBGSA-N 1 2 308.406 4.171 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cc2c(s1)CCCC2 ZINC000764432374 1055183884 /nfs/dbraw/zinc/18/38/84/1055183884.db2.gz MEYLXVBASCJTOY-HJWRWDBZSA-N 1 2 308.406 4.171 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001236662179 1055219073 /nfs/dbraw/zinc/21/90/73/1055219073.db2.gz PFAXZLJZUYAMLB-JTQLQIEISA-N 1 2 301.192 4.258 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001236662179 1055219081 /nfs/dbraw/zinc/21/90/81/1055219081.db2.gz PFAXZLJZUYAMLB-JTQLQIEISA-N 1 2 301.192 4.258 20 30 DIEDLO CC(C)(C)Oc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000764921352 1055294505 /nfs/dbraw/zinc/29/45/05/1055294505.db2.gz SMICGVBNZQUKOB-XFXZXTDPSA-N 1 2 320.392 4.408 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(F)c2ccoc21 ZINC001236894401 1055305054 /nfs/dbraw/zinc/30/50/54/1055305054.db2.gz MKDAHFGJZRJCTN-UHFFFAOYSA-N 1 2 308.356 4.488 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c2ccoc21 ZINC001236894401 1055305073 /nfs/dbraw/zinc/30/50/73/1055305073.db2.gz MKDAHFGJZRJCTN-UHFFFAOYSA-N 1 2 308.356 4.488 20 30 DIEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](CC)CCC)c1=S ZINC000764946110 1055304968 /nfs/dbraw/zinc/30/49/68/1055304968.db2.gz MYXGUJVOBNNTJO-UHFFFAOYSA-N 1 2 322.503 4.018 20 30 DIEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](CC)CCC)c1=S ZINC000764946110 1055304985 /nfs/dbraw/zinc/30/49/85/1055304985.db2.gz MYXGUJVOBNNTJO-UHFFFAOYSA-N 1 2 322.503 4.018 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237005043 1055336351 /nfs/dbraw/zinc/33/63/51/1055336351.db2.gz UYFNOEMEAVMLEC-UHFFFAOYSA-N 1 2 311.404 4.403 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237005043 1055336365 /nfs/dbraw/zinc/33/63/65/1055336365.db2.gz UYFNOEMEAVMLEC-UHFFFAOYSA-N 1 2 311.404 4.403 20 30 DIEDLO CC(C)c1ccc(C[N@H+](CCC#N)Cc2ccccc2)c(O)c1 ZINC001237048801 1055350246 /nfs/dbraw/zinc/35/02/46/1055350246.db2.gz WOFNPEQLSCQEIT-UHFFFAOYSA-N 1 2 308.425 4.431 20 30 DIEDLO CC(C)c1ccc(C[N@@H+](CCC#N)Cc2ccccc2)c(O)c1 ZINC001237048801 1055350262 /nfs/dbraw/zinc/35/02/62/1055350262.db2.gz WOFNPEQLSCQEIT-UHFFFAOYSA-N 1 2 308.425 4.431 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(Cl)c(F)c3)n21 ZINC000765614004 1055519098 /nfs/dbraw/zinc/51/90/98/1055519098.db2.gz ZFWNIWJHAAIPGG-VURMDHGXSA-N 1 2 314.747 4.331 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001237972743 1055567497 /nfs/dbraw/zinc/56/74/97/1055567497.db2.gz PJCSWYCVNDRMDP-CYBMUJFWSA-N 1 2 315.417 4.075 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001237972743 1055567507 /nfs/dbraw/zinc/56/75/07/1055567507.db2.gz PJCSWYCVNDRMDP-CYBMUJFWSA-N 1 2 315.417 4.075 20 30 DIEDLO COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC001238086869 1055602609 /nfs/dbraw/zinc/60/26/09/1055602609.db2.gz PJUWORIXRZYQPR-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC001238086869 1055602617 /nfs/dbraw/zinc/60/26/17/1055602617.db2.gz PJUWORIXRZYQPR-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO CC[N@H+](Cc1csc(C2CC2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000161418748 1055678124 /nfs/dbraw/zinc/67/81/24/1055678124.db2.gz HAKNOYUHWPQMDS-CYBMUJFWSA-N 1 2 311.454 4.475 20 30 DIEDLO CC[N@@H+](Cc1csc(C2CC2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000161418748 1055678133 /nfs/dbraw/zinc/67/81/33/1055678133.db2.gz HAKNOYUHWPQMDS-CYBMUJFWSA-N 1 2 311.454 4.475 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238642820 1055707201 /nfs/dbraw/zinc/70/72/01/1055707201.db2.gz XDPJPRUSWCFXSK-HNNXBMFYSA-N 1 2 311.816 4.138 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238642820 1055707219 /nfs/dbraw/zinc/70/72/19/1055707219.db2.gz XDPJPRUSWCFXSK-HNNXBMFYSA-N 1 2 311.816 4.138 20 30 DIEDLO CC(C)Oc1cc(F)ccc1C[N@H+](CCC#N)C1CCCC1 ZINC001238695549 1055723767 /nfs/dbraw/zinc/72/37/67/1055723767.db2.gz HWSIXLWGAFGLOB-UHFFFAOYSA-N 1 2 304.409 4.271 20 30 DIEDLO CC(C)Oc1cc(F)ccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001238695549 1055723780 /nfs/dbraw/zinc/72/37/80/1055723780.db2.gz HWSIXLWGAFGLOB-UHFFFAOYSA-N 1 2 304.409 4.271 20 30 DIEDLO Cc1cc(F)cc(C[N@H+](C)Cc2cccc(C#N)c2)c1Cl ZINC001238784359 1055749914 /nfs/dbraw/zinc/74/99/14/1055749914.db2.gz OTJAHRCMHFFVLI-UHFFFAOYSA-N 1 2 302.780 4.291 20 30 DIEDLO Cc1cc(F)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1Cl ZINC001238784359 1055749918 /nfs/dbraw/zinc/74/99/18/1055749918.db2.gz OTJAHRCMHFFVLI-UHFFFAOYSA-N 1 2 302.780 4.291 20 30 DIEDLO Cc1cc2[nH]ccc2c(-c2ccc(C(F)(F)F)cc2C#N)[nH+]1 ZINC001238838178 1055759711 /nfs/dbraw/zinc/75/97/11/1055759711.db2.gz KOJSDHBWANYQKZ-UHFFFAOYSA-N 1 2 301.271 4.429 20 30 DIEDLO Cc1c(-c2ccc(C(F)(F)F)cc2C#N)ccc2[nH+]ccn21 ZINC001238845560 1055766117 /nfs/dbraw/zinc/76/61/17/1055766117.db2.gz OXOPXZZRTJWQHR-UHFFFAOYSA-N 1 2 301.271 4.200 20 30 DIEDLO CCCCCCC[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001597031314 1055776864 /nfs/dbraw/zinc/77/68/64/1055776864.db2.gz JJRXVZNHTHQIDM-OAHLLOKOSA-N 1 2 307.482 4.039 20 30 DIEDLO Cc1cc(N2CCCCC2)[nH+]cc1-c1cc(F)c(C#N)c(F)c1 ZINC001239920870 1056161346 /nfs/dbraw/zinc/16/13/46/1056161346.db2.gz PJCFTTPUJZQNNP-UHFFFAOYSA-N 1 2 313.351 4.197 20 30 DIEDLO CC(C)Oc1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001239969422 1056209167 /nfs/dbraw/zinc/20/91/67/1056209167.db2.gz OHFZRMLDODAGDL-FYJGNVAPSA-N 1 2 307.397 4.234 20 30 DIEDLO C#CCCCCCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC001615476557 1056515594 /nfs/dbraw/zinc/51/55/94/1056515594.db2.gz AXDZVHFPSSLJCG-GOSISDBHSA-N 1 2 305.849 4.297 20 30 DIEDLO C#CCCCCCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC001615476557 1056515586 /nfs/dbraw/zinc/51/55/86/1056515586.db2.gz AXDZVHFPSSLJCG-GOSISDBHSA-N 1 2 305.849 4.297 20 30 DIEDLO Cc1cc(N(C)C)[nH+]cc1-c1nccc(-c2ccccc2)c1C#N ZINC001241228162 1056969177 /nfs/dbraw/zinc/96/91/77/1056969177.db2.gz HZXRVDSYRZKHFX-UHFFFAOYSA-N 1 2 314.392 4.057 20 30 DIEDLO Cc1cc(N(C)C)[nH+]cc1-c1nc2c(cc1C#N)CCCC2(C)C ZINC001241240357 1056976141 /nfs/dbraw/zinc/97/61/41/1056976141.db2.gz NERWXYZSFDHROP-UHFFFAOYSA-N 1 2 320.440 4.004 20 30 DIEDLO N#Cc1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cs1 ZINC000922300608 1057001562 /nfs/dbraw/zinc/00/15/62/1057001562.db2.gz PCDNIRNDGGBBMO-UHFFFAOYSA-N 1 2 304.365 4.067 20 30 DIEDLO N#Cc1csc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000093015617 1057033110 /nfs/dbraw/zinc/03/31/10/1057033110.db2.gz XKUWFWXAVNYFAE-UHFFFAOYSA-N 1 2 324.405 4.121 20 30 DIEDLO N#Cc1csc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000093015617 1057033118 /nfs/dbraw/zinc/03/31/18/1057033118.db2.gz XKUWFWXAVNYFAE-UHFFFAOYSA-N 1 2 324.405 4.121 20 30 DIEDLO CCCOc1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001241590731 1057102894 /nfs/dbraw/zinc/10/28/94/1057102894.db2.gz NDLSBUKKTHLOER-KGENOOAVSA-N 1 2 307.397 4.235 20 30 DIEDLO CCCOc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001241747611 1057155108 /nfs/dbraw/zinc/15/51/08/1057155108.db2.gz KEZZGUVBDNPWGB-KGENOOAVSA-N 1 2 307.397 4.235 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205055607 1057264873 /nfs/dbraw/zinc/26/48/73/1057264873.db2.gz LDXGZHTZNGUBLJ-UHFFFAOYSA-N 1 2 316.754 4.484 20 30 DIEDLO N#Cc1ccc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)o1 ZINC000174304054 1057356740 /nfs/dbraw/zinc/35/67/40/1057356740.db2.gz ITULJUKRZLVBGI-UHFFFAOYSA-N 1 2 324.330 4.309 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cccc(Cl)c1Cl ZINC001168758414 1057384976 /nfs/dbraw/zinc/38/49/76/1057384976.db2.gz RJPMUYFFXSNETD-SNVBAGLBSA-N 1 2 306.196 4.111 20 30 DIEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000676488778 1057479529 /nfs/dbraw/zinc/47/95/29/1057479529.db2.gz FAFXBBCKRVZIGC-LBPRGKRZSA-N 1 2 302.443 4.176 20 30 DIEDLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1cccc(C#N)c1 ZINC000611387195 1057594760 /nfs/dbraw/zinc/59/47/60/1057594760.db2.gz GXKUEZJGEWTUSE-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO CC(C)COc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001243432244 1057681632 /nfs/dbraw/zinc/68/16/32/1057681632.db2.gz OZQQOLJKQILGGL-HYARGMPZSA-N 1 2 321.424 4.481 20 30 DIEDLO Fc1ccc(C(=NNc2cc[nH+]c3ccccc23)C2CC2)cc1 ZINC000730148064 1057704133 /nfs/dbraw/zinc/70/41/33/1057704133.db2.gz NDHWBDNYKBBOGH-UHFFFAOYSA-N 1 2 305.356 4.022 20 30 DIEDLO CCOc1cccc(/C=[NH+]/CCCc2c[nH]c3ccccc23)c1O ZINC000730732613 1057722721 /nfs/dbraw/zinc/72/27/21/1057722721.db2.gz LPBFAMKXJVXEDO-FYJGNVAPSA-N 1 2 322.408 4.324 20 30 DIEDLO Cc1c(C#N)c(-c2ccc(Cn3cc[nH+]c3)cc2)nc2ccccc12 ZINC001243657005 1057745678 /nfs/dbraw/zinc/74/56/78/1057745678.db2.gz LTMKLFYDOWNMRI-UHFFFAOYSA-N 1 2 324.387 4.327 20 30 DIEDLO N#CCc1c[nH]c2cccc(-c3ccc(Cn4cc[nH+]c4)cc3)c12 ZINC001243659635 1057747015 /nfs/dbraw/zinc/74/70/15/1057747015.db2.gz ZUALPDOYOAGJMF-UHFFFAOYSA-N 1 2 312.376 4.146 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000732210903 1057769275 /nfs/dbraw/zinc/76/92/75/1057769275.db2.gz VEKVEXKCSLAEEZ-STXHMFSFSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000732210903 1057769279 /nfs/dbraw/zinc/76/92/79/1057769279.db2.gz VEKVEXKCSLAEEZ-STXHMFSFSA-N 1 2 324.399 4.048 20 30 DIEDLO N#CC1(c2cccc(-c3ccc(F)c(-n4cc[nH+]c4)c3)c2)CC1 ZINC001244075063 1057859247 /nfs/dbraw/zinc/85/92/47/1057859247.db2.gz NFABBMOVTWRGTA-UHFFFAOYSA-N 1 2 303.340 4.234 20 30 DIEDLO CCOc1ccc(C)c(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001244872024 1058061887 /nfs/dbraw/zinc/06/18/87/1058061887.db2.gz NQIHLOIBOSXDPS-FYJGNVAPSA-N 1 2 307.397 4.154 20 30 DIEDLO N#Cc1nccc2cc(-c3c[nH+]cn3Cc3ccccc3)ccc12 ZINC001245201084 1058127019 /nfs/dbraw/zinc/12/70/19/1058127019.db2.gz OINLEKRMUJZIEO-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cc3cc(F)ccc3[nH]2)cc1C#N ZINC001245575783 1058243465 /nfs/dbraw/zinc/24/34/65/1058243465.db2.gz JBQVJUJZXJPESA-SRZZPIQSSA-N 1 2 306.344 4.067 20 30 DIEDLO N#Cc1cnc(Oc2cccc(-n3cc[nH+]c3)c2)c2sccc21 ZINC001559111370 1058998215 /nfs/dbraw/zinc/99/82/15/1058998215.db2.gz IZVSVWFFZKPVMQ-UHFFFAOYSA-N 1 2 318.361 4.146 20 30 DIEDLO C=CC(C)(C)CCCNc1nc(C)[nH+]c(C)c1Br ZINC001559272872 1059134641 /nfs/dbraw/zinc/13/46/41/1059134641.db2.gz OYLUAVZHQSFSNM-UHFFFAOYSA-N 1 2 312.255 4.260 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC001559495443 1059274409 /nfs/dbraw/zinc/27/44/09/1059274409.db2.gz GTGBRTFQJKUQKC-UHFFFAOYSA-N 1 2 314.360 4.231 20 30 DIEDLO C=CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC001559495443 1059274431 /nfs/dbraw/zinc/27/44/31/1059274431.db2.gz GTGBRTFQJKUQKC-UHFFFAOYSA-N 1 2 314.360 4.231 20 30 DIEDLO Clc1cccc(C#CC[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001559712363 1059537717 /nfs/dbraw/zinc/53/77/17/1059537717.db2.gz KGGNSOLZHQGNSZ-UHFFFAOYSA-N 1 2 316.231 4.403 20 30 DIEDLO Clc1cccc(C#CC[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001559712363 1059537738 /nfs/dbraw/zinc/53/77/38/1059537738.db2.gz KGGNSOLZHQGNSZ-UHFFFAOYSA-N 1 2 316.231 4.403 20 30 DIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001559722761 1059552364 /nfs/dbraw/zinc/55/23/64/1059552364.db2.gz BVEYDRUPFUKEDZ-GOSISDBHSA-N 1 2 321.380 4.194 20 30 DIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001559722761 1059552385 /nfs/dbraw/zinc/55/23/85/1059552385.db2.gz BVEYDRUPFUKEDZ-GOSISDBHSA-N 1 2 321.380 4.194 20 30 DIEDLO Cc1ccc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)cc1C#N ZINC001559875160 1059697649 /nfs/dbraw/zinc/69/76/49/1059697649.db2.gz NIBNXOSZAFGIBC-UHFFFAOYSA-N 1 2 315.420 4.227 20 30 DIEDLO Cc1ccc(C[N@H+]2CCCn3c(cc4ccccc43)C2)cc1C#N ZINC001559875160 1059697653 /nfs/dbraw/zinc/69/76/53/1059697653.db2.gz NIBNXOSZAFGIBC-UHFFFAOYSA-N 1 2 315.420 4.227 20 30 DIEDLO C=CC[N@H+](Cc1csc(-c2ccncc2)n1)Cc1ccccc1 ZINC001249299613 1060214197 /nfs/dbraw/zinc/21/41/97/1060214197.db2.gz WZDCNSKFMAVMMZ-UHFFFAOYSA-N 1 2 321.449 4.393 20 30 DIEDLO C=CC[N@@H+](Cc1csc(-c2ccncc2)n1)Cc1ccccc1 ZINC001249299613 1060214218 /nfs/dbraw/zinc/21/42/18/1060214218.db2.gz WZDCNSKFMAVMMZ-UHFFFAOYSA-N 1 2 321.449 4.393 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CCC1 ZINC001560616412 1060430462 /nfs/dbraw/zinc/43/04/62/1060430462.db2.gz CREAMHLQTWUSJR-UHFFFAOYSA-N 1 2 300.789 4.383 20 30 DIEDLO CN(Cc1ccccc1)c1ccc(Cc2ccccc2C#N)c[nH+]1 ZINC001250045326 1060567060 /nfs/dbraw/zinc/56/70/60/1060567060.db2.gz CXQISLKGZCXKBA-UHFFFAOYSA-N 1 2 313.404 4.180 20 30 DIEDLO C=CCC[C@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)C(=O)OCC ZINC001560837548 1060695075 /nfs/dbraw/zinc/69/50/75/1060695075.db2.gz VDDDHZBXTHJHLO-PREGVCBESA-N 1 2 321.848 4.074 20 30 DIEDLO C#Cc1cc(Nc2ccc(Oc3ccccc3)c(OC)c2)cc[nH+]1 ZINC001250215632 1060696916 /nfs/dbraw/zinc/69/69/16/1060696916.db2.gz QOFQUNBTXNBILS-UHFFFAOYSA-N 1 2 316.360 4.029 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1nc2ccccc2nc1C)c1ccc(Cl)cc1 ZINC001560864756 1060723469 /nfs/dbraw/zinc/72/34/69/1060723469.db2.gz JKHZNGYFMQBBSD-MRXNPFEDSA-N 1 2 321.811 4.056 20 30 DIEDLO CC(C)Oc1c(F)cc(C[NH+]2CCC(C)(C#N)CC2)cc1Cl ZINC001250297311 1060762796 /nfs/dbraw/zinc/76/27/96/1060762796.db2.gz MHTYHSVCXRMAHT-UHFFFAOYSA-N 1 2 324.827 4.392 20 30 DIEDLO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1F ZINC001561009289 1060867821 /nfs/dbraw/zinc/86/78/21/1060867821.db2.gz XJGXZIIVPDZBPD-UHFFFAOYSA-N 1 2 304.315 4.000 20 30 DIEDLO C=CCC1(O)CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC001561014196 1060872102 /nfs/dbraw/zinc/87/21/02/1060872102.db2.gz NJVHSOCFQQXEEY-UHFFFAOYSA-N 1 2 318.219 4.036 20 30 DIEDLO C(#Cc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccncc1 ZINC001561045185 1060895714 /nfs/dbraw/zinc/89/57/14/1060895714.db2.gz FUECAMKIEVLVBC-UHFFFAOYSA-N 1 2 318.445 4.197 20 30 DIEDLO C(#Cc1ccccc1)C[N@@H+](Cc1cccs1)Cc1ccncc1 ZINC001561045185 1060895721 /nfs/dbraw/zinc/89/57/21/1060895721.db2.gz FUECAMKIEVLVBC-UHFFFAOYSA-N 1 2 318.445 4.197 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)c(F)c1 ZINC001462514013 1061224245 /nfs/dbraw/zinc/22/42/45/1061224245.db2.gz DCHOQTDGJHHECT-LJQANCHMSA-N 1 2 312.363 4.158 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)c(F)c1 ZINC001462514013 1061224261 /nfs/dbraw/zinc/22/42/61/1061224261.db2.gz DCHOQTDGJHHECT-LJQANCHMSA-N 1 2 312.363 4.158 20 30 DIEDLO N#Cc1cc(Cl)ccc1-c1[nH]c2ccc(N3CCCC3)cc2[nH+]1 ZINC001251163527 1061255068 /nfs/dbraw/zinc/25/50/68/1061255068.db2.gz XPTHYEYSWLDRKZ-UHFFFAOYSA-N 1 2 322.799 4.355 20 30 DIEDLO CC(C)(C#N)CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001473647950 1061314355 /nfs/dbraw/zinc/31/43/55/1061314355.db2.gz WKKZHSNLXCIVFM-MRXNPFEDSA-N 1 2 320.864 4.432 20 30 DIEDLO CC(C)(C#N)CC[N@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001473647950 1061314369 /nfs/dbraw/zinc/31/43/69/1061314369.db2.gz WKKZHSNLXCIVFM-MRXNPFEDSA-N 1 2 320.864 4.432 20 30 DIEDLO C=CCCCCC[NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001473698733 1061355863 /nfs/dbraw/zinc/35/58/63/1061355863.db2.gz UVUGQKHMNDZAMK-GOSISDBHSA-N 1 2 317.473 4.275 20 30 DIEDLO C=C(Cl)C[NH2+]Cc1oc2ccccc2c1Br ZINC001474020412 1061562521 /nfs/dbraw/zinc/56/25/21/1061562521.db2.gz OBUFEELYGBCLTQ-UHFFFAOYSA-N 1 2 300.583 4.037 20 30 DIEDLO CCCCCCCCCC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC001252984507 1061777564 /nfs/dbraw/zinc/77/75/64/1061777564.db2.gz ISQFOUSSVOIIKZ-KRWDZBQOSA-N 1 2 312.523 4.467 20 30 DIEDLO CCCCCCCCCC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC001252984507 1061777582 /nfs/dbraw/zinc/77/75/82/1061777582.db2.gz ISQFOUSSVOIIKZ-KRWDZBQOSA-N 1 2 312.523 4.467 20 30 DIEDLO C=CCCCCCC[C@H](O)C[N@H+](CCC#N)Cc1ccccc1 ZINC001253226699 1061830625 /nfs/dbraw/zinc/83/06/25/1061830625.db2.gz ACEJQRYDHPFJLX-FQEVSTJZSA-N 1 2 314.473 4.290 20 30 DIEDLO C=CCCCCCC[C@H](O)C[N@@H+](CCC#N)Cc1ccccc1 ZINC001253226699 1061830641 /nfs/dbraw/zinc/83/06/41/1061830641.db2.gz ACEJQRYDHPFJLX-FQEVSTJZSA-N 1 2 314.473 4.290 20 30 DIEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254350745 1062084484 /nfs/dbraw/zinc/08/44/84/1062084484.db2.gz NSXSNXFKIQFZPW-XBMUEBEBSA-N 1 2 313.420 4.202 20 30 DIEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)nc1Cl ZINC001474482633 1062160693 /nfs/dbraw/zinc/16/06/93/1062160693.db2.gz BBAPLWCANVWGSC-NSHDSACASA-N 1 2 304.743 4.294 20 30 DIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)nc1Cl ZINC001474482633 1062160708 /nfs/dbraw/zinc/16/07/08/1062160708.db2.gz BBAPLWCANVWGSC-NSHDSACASA-N 1 2 304.743 4.294 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC001474543942 1062234974 /nfs/dbraw/zinc/23/49/74/1062234974.db2.gz ITTQFLGXMJLUOC-CYBMUJFWSA-N 1 2 313.319 4.370 20 30 DIEDLO C#C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC001474543943 1062237148 /nfs/dbraw/zinc/23/71/48/1062237148.db2.gz ITTQFLGXMJLUOC-ZDUSSCGKSA-N 1 2 313.319 4.370 20 30 DIEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001255158810 1062344622 /nfs/dbraw/zinc/34/46/22/1062344622.db2.gz NINWAJWRPHOBNA-SNVBAGLBSA-N 1 2 308.706 4.280 20 30 DIEDLO C=CC[N@@H+](Cc1cccc(Cl)c1Br)C1CC1 ZINC001459816160 1062421985 /nfs/dbraw/zinc/42/19/85/1062421985.db2.gz VXHQMOQCAQVCTK-UHFFFAOYSA-N 1 2 300.627 4.253 20 30 DIEDLO C=CC[N@H+](Cc1cccc(Cl)c1Br)C1CC1 ZINC001459816160 1062421997 /nfs/dbraw/zinc/42/19/97/1062421997.db2.gz VXHQMOQCAQVCTK-UHFFFAOYSA-N 1 2 300.627 4.253 20 30 DIEDLO C=CCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC001470074813 1062698151 /nfs/dbraw/zinc/69/81/51/1062698151.db2.gz MSTVSQYYCPEJMD-UHFFFAOYSA-N 1 2 323.440 4.129 20 30 DIEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001256212765 1062751009 /nfs/dbraw/zinc/75/10/09/1062751009.db2.gz ISHCCNXYXDGJCV-CZUORRHYSA-N 1 2 323.278 4.298 20 30 DIEDLO CCCC[N@@H+](CC#N)[C@@H](C)CCc1ccc(Br)cc1 ZINC001256228753 1062752175 /nfs/dbraw/zinc/75/21/75/1062752175.db2.gz GYHIKGWFBVJVIR-AWEZNQCLSA-N 1 2 323.278 4.396 20 30 DIEDLO CCCC[N@H+](CC#N)[C@@H](C)CCc1ccc(Br)cc1 ZINC001256228753 1062752167 /nfs/dbraw/zinc/75/21/67/1062752167.db2.gz GYHIKGWFBVJVIR-AWEZNQCLSA-N 1 2 323.278 4.396 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256460446 1062830666 /nfs/dbraw/zinc/83/06/66/1062830666.db2.gz CXAJCPDSKGROKM-UKRRQHHQSA-N 1 2 322.424 4.061 20 30 DIEDLO C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@@H]1CCC[C@H]1C#N ZINC001460600814 1062925940 /nfs/dbraw/zinc/92/59/40/1062925940.db2.gz GIAVPFFCZFARDL-WMLDXEAASA-N 1 2 318.848 4.253 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@@H]1CCC[C@H]1C#N ZINC001460600814 1062925968 /nfs/dbraw/zinc/92/59/68/1062925968.db2.gz GIAVPFFCZFARDL-WMLDXEAASA-N 1 2 318.848 4.253 20 30 DIEDLO C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@H]1CCC[C@H]1C#N ZINC001460600828 1062929640 /nfs/dbraw/zinc/92/96/40/1062929640.db2.gz GIAVPFFCZFARDL-YOEHRIQHSA-N 1 2 318.848 4.253 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@H]1CCC[C@H]1C#N ZINC001460600828 1062929665 /nfs/dbraw/zinc/92/96/65/1062929665.db2.gz GIAVPFFCZFARDL-YOEHRIQHSA-N 1 2 318.848 4.253 20 30 DIEDLO Cc1cncc([C@@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)c1 ZINC001460658350 1062964787 /nfs/dbraw/zinc/96/47/87/1062964787.db2.gz HNBYHDWBHNDWCH-IBGZPJMESA-N 1 2 310.828 4.232 20 30 DIEDLO Cc1cncc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)c1 ZINC001460658350 1062964805 /nfs/dbraw/zinc/96/48/05/1062964805.db2.gz HNBYHDWBHNDWCH-IBGZPJMESA-N 1 2 310.828 4.232 20 30 DIEDLO C=CCOc1ccc(CNc2cc(C)[nH+]c(C3CCC3)n2)cc1 ZINC001472780492 1063230575 /nfs/dbraw/zinc/23/05/75/1063230575.db2.gz IASRYUFXQIQELR-UHFFFAOYSA-N 1 2 309.413 4.229 20 30 DIEDLO C=CCCCCCCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001478773943 1063280964 /nfs/dbraw/zinc/28/09/64/1063280964.db2.gz PMJAZIWDNYBJHG-UHFFFAOYSA-N 1 2 303.450 4.024 20 30 DIEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257822290 1063394256 /nfs/dbraw/zinc/39/42/56/1063394256.db2.gz XSLYAVVCARTVAL-ACBHZAAOSA-N 1 2 300.446 4.042 20 30 DIEDLO CCC[C@](C)(C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257828642 1063396632 /nfs/dbraw/zinc/39/66/32/1063396632.db2.gz OBDOHJFHRUGVHD-CTWPCTMYSA-N 1 2 300.446 4.186 20 30 DIEDLO N#CC1([NH2+]C2CCC(OCc3ccccc3)CC2)CCCCC1 ZINC001257823543 1063397685 /nfs/dbraw/zinc/39/76/85/1063397685.db2.gz QRYUIMCNKHHKFB-UHFFFAOYSA-N 1 2 312.457 4.330 20 30 DIEDLO C=C(C)COc1cc(CNc2c[nH+]c(C)c(C)c2)ccc1OC ZINC001461707577 1063671478 /nfs/dbraw/zinc/67/14/78/1063671478.db2.gz MXLRJLDKJJDZLL-UHFFFAOYSA-N 1 2 312.413 4.274 20 30 DIEDLO C#Cc1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)c(Cl)c1 ZINC001461800367 1063725522 /nfs/dbraw/zinc/72/55/22/1063725522.db2.gz WJRZTSHBFAODBB-UHFFFAOYSA-N 1 2 321.811 4.428 20 30 DIEDLO C[C@H](Cc1cccc(Cl)c1)[N@H+](CCC#N)Cc1cccnc1 ZINC001258744677 1063794035 /nfs/dbraw/zinc/79/40/35/1063794035.db2.gz DSQPJIJHAZSFGT-OAHLLOKOSA-N 1 2 313.832 4.082 20 30 DIEDLO C[C@H](Cc1cccc(Cl)c1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001258744677 1063794043 /nfs/dbraw/zinc/79/40/43/1063794043.db2.gz DSQPJIJHAZSFGT-OAHLLOKOSA-N 1 2 313.832 4.082 20 30 DIEDLO C=CCN(CCc1ccccc1)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001306951994 1065217508 /nfs/dbraw/zinc/21/75/08/1065217508.db2.gz YLHVASGVOZVXDL-UHFFFAOYSA-N 1 2 307.441 4.288 20 30 DIEDLO CCC[N@H+](Cc1nc(C(C)(C)C)co1)Cc1ccc(C#N)cc1 ZINC001307417005 1065376685 /nfs/dbraw/zinc/37/66/85/1065376685.db2.gz ZLCFJUCYNKTNPO-UHFFFAOYSA-N 1 2 311.429 4.256 20 30 DIEDLO CCC[N@@H+](Cc1nc(C(C)(C)C)co1)Cc1ccc(C#N)cc1 ZINC001307417005 1065376694 /nfs/dbraw/zinc/37/66/94/1065376694.db2.gz ZLCFJUCYNKTNPO-UHFFFAOYSA-N 1 2 311.429 4.256 20 30 DIEDLO C=CCCC[N@@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001307572683 1065490020 /nfs/dbraw/zinc/49/00/20/1065490020.db2.gz BMDPJOMBUUAIMR-CQSZACIVSA-N 1 2 316.228 4.106 20 30 DIEDLO C=CCCC[N@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001307572683 1065490025 /nfs/dbraw/zinc/49/00/25/1065490025.db2.gz BMDPJOMBUUAIMR-CQSZACIVSA-N 1 2 316.228 4.106 20 30 DIEDLO N#Cc1ccccc1-c1ccc(C[N@@H+]2Cc3cccnc3C2)cc1 ZINC001307733771 1065592863 /nfs/dbraw/zinc/59/28/63/1065592863.db2.gz XXXORECAXNEYAM-UHFFFAOYSA-N 1 2 311.388 4.136 20 30 DIEDLO N#Cc1ccccc1-c1ccc(C[N@H+]2Cc3cccnc3C2)cc1 ZINC001307733771 1065592868 /nfs/dbraw/zinc/59/28/68/1065592868.db2.gz XXXORECAXNEYAM-UHFFFAOYSA-N 1 2 311.388 4.136 20 30 DIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001307733299 1065593974 /nfs/dbraw/zinc/59/39/74/1065593974.db2.gz TZMNSYTUJPOQJA-GFCCVEGCSA-N 1 2 314.307 4.154 20 30 DIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001307733299 1065593986 /nfs/dbraw/zinc/59/39/86/1065593986.db2.gz TZMNSYTUJPOQJA-GFCCVEGCSA-N 1 2 314.307 4.154 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC001308064622 1065747496 /nfs/dbraw/zinc/74/74/96/1065747496.db2.gz SBOBHGNRIPQIIB-KRWDZBQOSA-N 1 2 324.399 4.140 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC001308064622 1065747506 /nfs/dbraw/zinc/74/75/06/1065747506.db2.gz SBOBHGNRIPQIIB-KRWDZBQOSA-N 1 2 324.399 4.140 20 30 DIEDLO C#CC[N@@H+](Cc1c(F)cccc1F)[C@H]1CCCc2ccccc21 ZINC001308104568 1065764673 /nfs/dbraw/zinc/76/46/73/1065764673.db2.gz RQQQVSVSQDGDKX-FQEVSTJZSA-N 1 2 311.375 4.478 20 30 DIEDLO C#CC[N@H+](Cc1c(F)cccc1F)[C@H]1CCCc2ccccc21 ZINC001308104568 1065764685 /nfs/dbraw/zinc/76/46/85/1065764685.db2.gz RQQQVSVSQDGDKX-FQEVSTJZSA-N 1 2 311.375 4.478 20 30 DIEDLO C=CCOc1ccc(CNc2[nH]c3cc(C)ccc3[nH+]2)cc1OC ZINC001308500860 1066031381 /nfs/dbraw/zinc/03/13/81/1066031381.db2.gz GJUUNFUUYFPGTE-UHFFFAOYSA-N 1 2 323.396 4.057 20 30 DIEDLO C=CCOc1cccc(CNc2[nH]c3ccc(Cl)cc3[nH+]2)c1 ZINC001308511254 1066038299 /nfs/dbraw/zinc/03/82/99/1066038299.db2.gz PFQQIVOZIZTOFQ-UHFFFAOYSA-N 1 2 313.788 4.393 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cccn1C(F)F)c1ccc(Cl)cc1F ZINC001308757045 1066231039 /nfs/dbraw/zinc/23/10/39/1066231039.db2.gz ADKKZYNRVGPBTP-AWEZNQCLSA-N 1 2 312.722 4.140 20 30 DIEDLO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001308815073 1066291621 /nfs/dbraw/zinc/29/16/21/1066291621.db2.gz QVYFCLYDUGCTPP-HNNXBMFYSA-N 1 2 319.807 4.462 20 30 DIEDLO CCCOc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC001308837628 1066311234 /nfs/dbraw/zinc/31/12/34/1066311234.db2.gz HNHAEMCMDATPPG-UHFFFAOYSA-N 1 2 306.409 4.171 20 30 DIEDLO CCCOc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC001308837628 1066311258 /nfs/dbraw/zinc/31/12/58/1066311258.db2.gz HNHAEMCMDATPPG-UHFFFAOYSA-N 1 2 306.409 4.171 20 30 DIEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccsc1C(F)(F)F ZINC001308958454 1066420393 /nfs/dbraw/zinc/42/03/93/1066420393.db2.gz NVRSSKFCRUGEBB-UHFFFAOYSA-N 1 2 316.373 4.332 20 30 DIEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccsc1C(F)(F)F ZINC001308958454 1066420400 /nfs/dbraw/zinc/42/04/00/1066420400.db2.gz NVRSSKFCRUGEBB-UHFFFAOYSA-N 1 2 316.373 4.332 20 30 DIEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343306471 335026194 /nfs/dbraw/zinc/02/61/94/335026194.db2.gz VHVGOCWLORQJJJ-KRWDZBQOSA-N 1 2 308.429 4.058 20 30 DIEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343306471 335026196 /nfs/dbraw/zinc/02/61/96/335026196.db2.gz VHVGOCWLORQJJJ-KRWDZBQOSA-N 1 2 308.429 4.058 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c(F)c1 ZINC000187791205 332849075 /nfs/dbraw/zinc/84/90/75/332849075.db2.gz AJLRIKSHXJRYSO-GOSISDBHSA-N 1 2 316.326 4.383 20 30 DIEDLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H](C#N)CCC#N ZINC000568976883 331815421 /nfs/dbraw/zinc/81/54/21/331815421.db2.gz IWCFYCGRFVFUNY-DZGCQCFKSA-N 1 2 309.335 4.022 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000091983840 332098859 /nfs/dbraw/zinc/09/88/59/332098859.db2.gz HDDCTAMNGNWTRX-JTQLQIEISA-N 1 2 304.743 4.340 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000091983840 332098861 /nfs/dbraw/zinc/09/88/61/332098861.db2.gz HDDCTAMNGNWTRX-JTQLQIEISA-N 1 2 304.743 4.340 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C[C@H](C)C#N ZINC000091983844 332116650 /nfs/dbraw/zinc/11/66/50/332116650.db2.gz HDDCTAMNGNWTRX-SNVBAGLBSA-N 1 2 304.743 4.340 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C[C@H](C)C#N ZINC000091983844 332116651 /nfs/dbraw/zinc/11/66/51/332116651.db2.gz HDDCTAMNGNWTRX-SNVBAGLBSA-N 1 2 304.743 4.340 20 30 DIEDLO C=C1CC[NH+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000518679056 332125836 /nfs/dbraw/zinc/12/58/36/332125836.db2.gz KOPYZXZLNCWDGX-FQEVSTJZSA-N 1 2 320.436 4.327 20 30 DIEDLO C=CCC(C)(C)c1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000569597493 332190840 /nfs/dbraw/zinc/19/08/40/332190840.db2.gz WZKXBOWSIMJIML-UHFFFAOYSA-N 1 2 308.385 4.084 20 30 DIEDLO CC(C)(C#N)c1ccccc1C[N@H+](CC(F)F)CC1CCC1 ZINC000536420914 332241525 /nfs/dbraw/zinc/24/15/25/332241525.db2.gz OQDYCEVNVPRFMT-UHFFFAOYSA-N 1 2 306.400 4.355 20 30 DIEDLO CC(C)(C#N)c1ccccc1C[N@@H+](CC(F)F)CC1CCC1 ZINC000536420914 332241527 /nfs/dbraw/zinc/24/15/27/332241527.db2.gz OQDYCEVNVPRFMT-UHFFFAOYSA-N 1 2 306.400 4.355 20 30 DIEDLO CC(C)[N@H+](CCC#N)Cc1cnc(CCc2ccccc2)s1 ZINC000560101989 332311715 /nfs/dbraw/zinc/31/17/15/332311715.db2.gz ITVUIVOFKBKJRB-UHFFFAOYSA-N 1 2 313.470 4.052 20 30 DIEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(CCc2ccccc2)s1 ZINC000560101989 332311716 /nfs/dbraw/zinc/31/17/16/332311716.db2.gz ITVUIVOFKBKJRB-UHFFFAOYSA-N 1 2 313.470 4.052 20 30 DIEDLO C=CCC[C@@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccco1 ZINC000560530037 332352184 /nfs/dbraw/zinc/35/21/84/332352184.db2.gz YFZOFVCYHAGUTC-QGZVFWFLSA-N 1 2 307.397 4.328 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363571483 332648079 /nfs/dbraw/zinc/64/80/79/332648079.db2.gz OEMSNQOZBHRVCQ-MRXNPFEDSA-N 1 2 305.466 4.256 20 30 DIEDLO N#Cc1cccc(SCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000177099013 332972841 /nfs/dbraw/zinc/97/28/41/332972841.db2.gz XGEHOHCNJQIAPI-UHFFFAOYSA-N 1 2 305.406 4.095 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000174846572 333091937 /nfs/dbraw/zinc/09/19/37/333091937.db2.gz RAXPKFJETWPPSI-INIZCTEOSA-N 1 2 306.837 4.043 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000174846572 333091939 /nfs/dbraw/zinc/09/19/39/333091939.db2.gz RAXPKFJETWPPSI-INIZCTEOSA-N 1 2 306.837 4.043 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(C#N)ccc1F ZINC000514486508 333138042 /nfs/dbraw/zinc/13/80/42/333138042.db2.gz SONZJKPAMVKUEY-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(C#N)ccc1F ZINC000514486508 333138043 /nfs/dbraw/zinc/13/80/43/333138043.db2.gz SONZJKPAMVKUEY-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO C=CCCCSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000522708306 333171175 /nfs/dbraw/zinc/17/11/75/333171175.db2.gz NXLZOWKRDNIMEG-UHFFFAOYSA-N 1 2 314.389 4.013 20 30 DIEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187801933 333238213 /nfs/dbraw/zinc/23/82/13/333238213.db2.gz VHIMIOARNZTQFY-LRDDRELGSA-N 1 2 316.351 4.366 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H](C)c1nccn1CC)c1ccc(F)c(F)c1 ZINC000296316251 335143348 /nfs/dbraw/zinc/14/33/48/335143348.db2.gz FMQOECVFDCFDEH-WBMJQRKESA-N 1 2 305.372 4.149 20 30 DIEDLO C=CCC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000339547738 333527660 /nfs/dbraw/zinc/52/76/60/333527660.db2.gz GIJLNHTUXXGJTE-UHFFFAOYSA-N 1 2 303.793 4.067 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000272623048 334038480 /nfs/dbraw/zinc/03/84/80/334038480.db2.gz VAOLNSBOBHRUGR-UHFFFAOYSA-N 1 2 315.417 4.075 20 30 DIEDLO CC(C)(C#N)CC[NH2+]c1ccc(OC(F)F)cc1OC(F)F ZINC000288666529 334161632 /nfs/dbraw/zinc/16/16/32/334161632.db2.gz HDNFGTDZQIUSCZ-UHFFFAOYSA-N 1 2 320.286 4.241 20 30 DIEDLO Cc1[nH+]c(C(C)C)ccc1COC(=O)C1(C#N)CCCCC1 ZINC000293475614 334198210 /nfs/dbraw/zinc/19/82/10/334198210.db2.gz RJVHWDBUJLIXDH-UHFFFAOYSA-N 1 2 300.402 4.031 20 30 DIEDLO Cc1[nH+]c(C(C)C)ccc1CNc1ccccc1O[C@@H](C)C#N ZINC000297933609 334245045 /nfs/dbraw/zinc/24/50/45/334245045.db2.gz XTJJHURGHBLROH-AWEZNQCLSA-N 1 2 309.413 4.416 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000187706405 334269400 /nfs/dbraw/zinc/26/94/00/334269400.db2.gz PHPQADXJPSCCGX-AWEZNQCLSA-N 1 2 301.393 4.159 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000187706405 334269401 /nfs/dbraw/zinc/26/94/01/334269401.db2.gz PHPQADXJPSCCGX-AWEZNQCLSA-N 1 2 301.393 4.159 20 30 DIEDLO CC(C)Oc1cccc(C[N@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000535213333 334379069 /nfs/dbraw/zinc/37/90/69/334379069.db2.gz XLBRCKAOMAHENW-UHFFFAOYSA-N 1 2 312.388 4.117 20 30 DIEDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000535213333 334379070 /nfs/dbraw/zinc/37/90/70/334379070.db2.gz XLBRCKAOMAHENW-UHFFFAOYSA-N 1 2 312.388 4.117 20 30 DIEDLO Cc1ccc(C#N)c(Nc2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000342118547 334511480 /nfs/dbraw/zinc/51/14/80/334511480.db2.gz ZSTLTWWXXQKYGA-UHFFFAOYSA-N 1 2 302.337 4.193 20 30 DIEDLO C=CC[C@@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1(C)C ZINC000443872425 338462488 /nfs/dbraw/zinc/46/24/88/338462488.db2.gz ZZCHXLPTCZOYJC-SFHVURJKSA-N 1 2 323.440 4.079 20 30 DIEDLO Cc1cn2cc(NC(=O)c3csc(C(C)(C)C)n3)ccc2[nH+]1 ZINC000328793397 334757535 /nfs/dbraw/zinc/75/75/35/334757535.db2.gz RUYXSKZZRWPZAX-UHFFFAOYSA-N 1 2 314.414 4.033 20 30 DIEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000345096895 335298151 /nfs/dbraw/zinc/29/81/51/335298151.db2.gz MPBQVERTQKGOIG-CYBMUJFWSA-N 1 2 319.383 4.298 20 30 DIEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000345096895 335298152 /nfs/dbraw/zinc/29/81/52/335298152.db2.gz MPBQVERTQKGOIG-CYBMUJFWSA-N 1 2 319.383 4.298 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1nc2c(s1)CCC2 ZINC000346870419 335446560 /nfs/dbraw/zinc/44/65/60/335446560.db2.gz UTWBMMFCGICCCE-QWRGUYRKSA-N 1 2 315.417 4.054 20 30 DIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)NC1CCCC1 ZINC000330255382 336130380 /nfs/dbraw/zinc/13/03/80/336130380.db2.gz POJAMDHBPKBCSX-UHFFFAOYSA-N 1 2 324.428 4.155 20 30 DIEDLO CCC[N@H+](Cc1ncc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000352012291 336188933 /nfs/dbraw/zinc/18/89/33/336188933.db2.gz YUYKGVTWZKJZBS-UHFFFAOYSA-N 1 2 305.834 4.080 20 30 DIEDLO CCC[N@@H+](Cc1ncc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000352012291 336188934 /nfs/dbraw/zinc/18/89/34/336188934.db2.gz YUYKGVTWZKJZBS-UHFFFAOYSA-N 1 2 305.834 4.080 20 30 DIEDLO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)n1 ZINC000352809008 336243311 /nfs/dbraw/zinc/24/33/11/336243311.db2.gz FEBXSGDRYNYJBR-SFHVURJKSA-N 1 2 323.396 4.033 20 30 DIEDLO C=C(C)COc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000532725651 336268598 /nfs/dbraw/zinc/26/85/98/336268598.db2.gz DRRZDWPJGNCUIJ-UHFFFAOYSA-N 1 2 319.408 4.439 20 30 DIEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc(Cl)ccc1Cl ZINC000352835511 336271981 /nfs/dbraw/zinc/27/19/81/336271981.db2.gz QACFUHZNSNWJCN-MRVPVSSYSA-N 1 2 312.225 4.172 20 30 DIEDLO Cc1cccc2[nH+]c(CSc3ccc(C#N)cc3Cl)cn21 ZINC000532846398 336273700 /nfs/dbraw/zinc/27/37/00/336273700.db2.gz BRYMSBPBACSEEA-UHFFFAOYSA-N 1 2 313.813 4.460 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cncn1Cc1ccccc1 ZINC000527075024 336282598 /nfs/dbraw/zinc/28/25/98/336282598.db2.gz VFJDYCSRHANBJW-UHFFFAOYSA-N 1 2 323.465 4.181 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cncn1Cc1ccccc1 ZINC000527075024 336282599 /nfs/dbraw/zinc/28/25/99/336282599.db2.gz VFJDYCSRHANBJW-UHFFFAOYSA-N 1 2 323.465 4.181 20 30 DIEDLO N#Cc1cccc(Cl)c1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301389639 336303996 /nfs/dbraw/zinc/30/39/96/336303996.db2.gz ZJRHWRQDAKRGKP-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO N#Cc1ccc(NCCCc2[nH]c3ccccc3[nH+]2)cc1Cl ZINC000301542075 336313556 /nfs/dbraw/zinc/31/35/56/336313556.db2.gz NTMLVZHYWBJEQB-UHFFFAOYSA-N 1 2 310.788 4.133 20 30 DIEDLO Cc1ccc(CCNc2c(C#N)cnc3ccc(Cl)cc32)c[nH+]1 ZINC000301545014 336313891 /nfs/dbraw/zinc/31/38/91/336313891.db2.gz DGLCZHQTCOBQNN-UHFFFAOYSA-N 1 2 322.799 4.118 20 30 DIEDLO Cn1c(CCCNc2ccc(C#N)c(Cl)c2)[nH+]c2ccccc21 ZINC000301600506 336317602 /nfs/dbraw/zinc/31/76/02/336317602.db2.gz YYNGZKDHSBBNFJ-UHFFFAOYSA-N 1 2 324.815 4.143 20 30 DIEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000301771094 336328832 /nfs/dbraw/zinc/32/88/32/336328832.db2.gz PLEZLLCYUDISED-UHFFFAOYSA-N 1 2 322.334 4.042 20 30 DIEDLO CC(C)c1cc(NCc2cc(C#N)ccc2F)nc(C(C)C)[nH+]1 ZINC000301848004 336333823 /nfs/dbraw/zinc/33/38/23/336333823.db2.gz CGSPYMYJSRMELX-UHFFFAOYSA-N 1 2 312.392 4.346 20 30 DIEDLO Cc1[nH+]c2ccc(Br)cc2c(NC[C@H](C)C#N)c1C ZINC000302037251 336344636 /nfs/dbraw/zinc/34/46/36/336344636.db2.gz FZGDDKBRXUJEGO-SECBINFHSA-N 1 2 318.218 4.186 20 30 DIEDLO CN(CCC#N)c1cc[nH+]c2ccc(Oc3ccccc3)cc21 ZINC000302687001 336364902 /nfs/dbraw/zinc/36/49/02/336364902.db2.gz AREIKYMDFFURBK-UHFFFAOYSA-N 1 2 303.365 4.377 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1nc(C)c(C)s1 ZINC000352922326 336377251 /nfs/dbraw/zinc/37/72/51/336377251.db2.gz PVRBKUQVBJEJJP-UHFFFAOYSA-N 1 2 318.490 4.116 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1nc(C)c(C)s1 ZINC000352922326 336377252 /nfs/dbraw/zinc/37/72/52/336377252.db2.gz PVRBKUQVBJEJJP-UHFFFAOYSA-N 1 2 318.490 4.116 20 30 DIEDLO C=CCSc1ccccc1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000362768230 336811175 /nfs/dbraw/zinc/81/11/75/336811175.db2.gz DBMHNUQOBAATKO-UHFFFAOYSA-N 1 2 323.421 4.173 20 30 DIEDLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C)(C#N)CC3)o2)cc1C ZINC000371635646 336909517 /nfs/dbraw/zinc/90/95/17/336909517.db2.gz SMNJHZIEUXRRHY-OAHLLOKOSA-N 1 2 324.428 4.040 20 30 DIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1csc([C@H](C)OC)n1 ZINC000175134882 337144677 /nfs/dbraw/zinc/14/46/77/337144677.db2.gz FAOPWAYASLHGFW-HNNXBMFYSA-N 1 2 316.470 4.081 20 30 DIEDLO C=CC[N@H+](CCc1ccccc1)Cc1csc([C@H](C)OC)n1 ZINC000175134882 337144678 /nfs/dbraw/zinc/14/46/78/337144678.db2.gz FAOPWAYASLHGFW-HNNXBMFYSA-N 1 2 316.470 4.081 20 30 DIEDLO N#CCC[N@@H+](CCc1c(F)cccc1Cl)Cc1ccco1 ZINC000176288984 337150657 /nfs/dbraw/zinc/15/06/57/337150657.db2.gz YOGVJASWUSSWSE-UHFFFAOYSA-N 1 2 306.768 4.030 20 30 DIEDLO N#CCC[N@H+](CCc1c(F)cccc1Cl)Cc1ccco1 ZINC000176288984 337150658 /nfs/dbraw/zinc/15/06/58/337150658.db2.gz YOGVJASWUSSWSE-UHFFFAOYSA-N 1 2 306.768 4.030 20 30 DIEDLO COc1ccc2nc(C[N@H+](CCC#N)CC(C)(C)C)sc2c1 ZINC000187068706 337261533 /nfs/dbraw/zinc/26/15/33/337261533.db2.gz AEABICRIGRPZCH-UHFFFAOYSA-N 1 2 317.458 4.067 20 30 DIEDLO COc1ccc2nc(C[N@@H+](CCC#N)CC(C)(C)C)sc2c1 ZINC000187068706 337261534 /nfs/dbraw/zinc/26/15/34/337261534.db2.gz AEABICRIGRPZCH-UHFFFAOYSA-N 1 2 317.458 4.067 20 30 DIEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000192183349 337303777 /nfs/dbraw/zinc/30/37/77/337303777.db2.gz XPUZDLASQODSLU-INIZCTEOSA-N 1 2 302.377 4.044 20 30 DIEDLO N#Cc1cccc(Cl)c1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000584402779 337318949 /nfs/dbraw/zinc/31/89/49/337318949.db2.gz UAZHRCJCTDOZGG-UHFFFAOYSA-N 1 2 308.772 4.214 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101863281 337386195 /nfs/dbraw/zinc/38/61/95/337386195.db2.gz AHWNOZYGELGAGG-UHFFFAOYSA-N 1 2 305.466 4.187 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000127489775 337421052 /nfs/dbraw/zinc/42/10/52/337421052.db2.gz UAAUIHSKXHSFLQ-KGLIPLIRSA-N 1 2 318.380 4.020 20 30 DIEDLO C=C(C)C(C)(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000424815588 337428648 /nfs/dbraw/zinc/42/86/48/337428648.db2.gz YDPJCEFGCZECOE-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000571945868 337583837 /nfs/dbraw/zinc/58/38/37/337583837.db2.gz YSOSVCZTPKKQMG-MRXNPFEDSA-N 1 2 308.759 4.420 20 30 DIEDLO C=CC[N@@H+](Cc1nc(CCC)cs1)Cc1ccc(OC)cc1 ZINC000426420921 338031768 /nfs/dbraw/zinc/03/17/68/338031768.db2.gz NZZNXUCIQSYESY-UHFFFAOYSA-N 1 2 316.470 4.292 20 30 DIEDLO C=CC[N@H+](Cc1nc(CCC)cs1)Cc1ccc(OC)cc1 ZINC000426420921 338031769 /nfs/dbraw/zinc/03/17/69/338031769.db2.gz NZZNXUCIQSYESY-UHFFFAOYSA-N 1 2 316.470 4.292 20 30 DIEDLO C=CC[N@@H+](Cc1nc(CCC)cs1)Cc1cccc(C#N)c1 ZINC000426421750 338031866 /nfs/dbraw/zinc/03/18/66/338031866.db2.gz SOVWYVIUIFODPH-UHFFFAOYSA-N 1 2 311.454 4.155 20 30 DIEDLO C=CC[N@H+](Cc1nc(CCC)cs1)Cc1cccc(C#N)c1 ZINC000426421750 338031867 /nfs/dbraw/zinc/03/18/67/338031867.db2.gz SOVWYVIUIFODPH-UHFFFAOYSA-N 1 2 311.454 4.155 20 30 DIEDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cccc(F)c1C#N ZINC000428454503 338052465 /nfs/dbraw/zinc/05/24/65/338052465.db2.gz RLJGHAMZZZIMPE-INIZCTEOSA-N 1 2 300.402 4.268 20 30 DIEDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428454503 338052466 /nfs/dbraw/zinc/05/24/66/338052466.db2.gz RLJGHAMZZZIMPE-INIZCTEOSA-N 1 2 300.402 4.268 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1cccc(OCc2ccccc2)c1 ZINC000428840469 338061831 /nfs/dbraw/zinc/06/18/31/338061831.db2.gz MOMJQSJFPZTVTD-UHFFFAOYSA-N 1 2 306.409 4.167 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1cccc(OCc2ccccc2)c1 ZINC000428840469 338061832 /nfs/dbraw/zinc/06/18/32/338061832.db2.gz MOMJQSJFPZTVTD-UHFFFAOYSA-N 1 2 306.409 4.167 20 30 DIEDLO CCC[N@H+](CC#N)Cc1cccc2c(Br)cccc12 ZINC000429060066 338070091 /nfs/dbraw/zinc/07/00/91/338070091.db2.gz NONBEQPXSSJPRP-UHFFFAOYSA-N 1 2 317.230 4.338 20 30 DIEDLO CCC[N@@H+](CC#N)Cc1cccc2c(Br)cccc12 ZINC000429060066 338070092 /nfs/dbraw/zinc/07/00/92/338070092.db2.gz NONBEQPXSSJPRP-UHFFFAOYSA-N 1 2 317.230 4.338 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000430095613 338096253 /nfs/dbraw/zinc/09/62/53/338096253.db2.gz QECRIHNUTPVYCM-UHFFFAOYSA-N 1 2 307.397 4.084 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000430095613 338096254 /nfs/dbraw/zinc/09/62/54/338096254.db2.gz QECRIHNUTPVYCM-UHFFFAOYSA-N 1 2 307.397 4.084 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1nc2ccc(F)cc2s1 ZINC000432749527 338166297 /nfs/dbraw/zinc/16/62/97/338166297.db2.gz HXROAHZGWMXGAI-UHFFFAOYSA-N 1 2 305.422 4.197 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1nc2ccc(F)cc2s1 ZINC000432749527 338166298 /nfs/dbraw/zinc/16/62/98/338166298.db2.gz HXROAHZGWMXGAI-UHFFFAOYSA-N 1 2 305.422 4.197 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(F)ccc1C#N ZINC000433273566 338188826 /nfs/dbraw/zinc/18/88/26/338188826.db2.gz ZWUDDKPCJJGNBV-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(F)ccc1C#N ZINC000433273566 338188827 /nfs/dbraw/zinc/18/88/27/338188827.db2.gz ZWUDDKPCJJGNBV-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433311945 338191413 /nfs/dbraw/zinc/19/14/13/338191413.db2.gz JNGQISKVYPWSPJ-GJZGRUSLSA-N 1 2 315.461 4.009 20 30 DIEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433311945 338191414 /nfs/dbraw/zinc/19/14/14/338191414.db2.gz JNGQISKVYPWSPJ-GJZGRUSLSA-N 1 2 315.461 4.009 20 30 DIEDLO CC[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000437594329 338315469 /nfs/dbraw/zinc/31/54/69/338315469.db2.gz WCEDZTGZZFXFCN-JTQLQIEISA-N 1 2 304.743 4.340 20 30 DIEDLO CC[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000437594329 338315470 /nfs/dbraw/zinc/31/54/70/338315470.db2.gz WCEDZTGZZFXFCN-JTQLQIEISA-N 1 2 304.743 4.340 20 30 DIEDLO Cc1ccc(NCc2cccn2Cc2ccccc2C#N)c(C)[nH+]1 ZINC000437790513 338321707 /nfs/dbraw/zinc/32/17/07/338321707.db2.gz YKHHUJYOMJYVJI-UHFFFAOYSA-N 1 2 316.408 4.032 20 30 DIEDLO C[C@H](C#N)C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000438105884 338331796 /nfs/dbraw/zinc/33/17/96/338331796.db2.gz PTRJABHFVSDYBK-SNVBAGLBSA-N 1 2 316.754 4.483 20 30 DIEDLO C[C@H](C#N)C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000438105884 338331797 /nfs/dbraw/zinc/33/17/97/338331797.db2.gz PTRJABHFVSDYBK-SNVBAGLBSA-N 1 2 316.754 4.483 20 30 DIEDLO N#Cc1ccc(Cl)cc1OCc1c[nH+]cn1Cc1ccccc1 ZINC000438303592 338339126 /nfs/dbraw/zinc/33/91/26/338339126.db2.gz KFXRTMNKZCWMDV-UHFFFAOYSA-N 1 2 323.783 4.035 20 30 DIEDLO C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C)[nH+]c1C ZINC000447180785 338547038 /nfs/dbraw/zinc/54/70/38/338547038.db2.gz BKJZYWPLPVEUIR-UHFFFAOYSA-N 1 2 301.434 4.299 20 30 DIEDLO COc1ccc([C@H]([NH2+]CC2(C#N)CCC2)c2ccc(F)cc2)cc1 ZINC000450554103 338690577 /nfs/dbraw/zinc/69/05/77/338690577.db2.gz KTALRKKZKQOUDY-LJQANCHMSA-N 1 2 324.399 4.207 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc(C2CC2)nc1 ZINC000459287770 339019389 /nfs/dbraw/zinc/01/93/89/339019389.db2.gz IOPYDBKRTBGQAM-UHFFFAOYSA-N 1 2 319.861 4.257 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc(C2CC2)nc1 ZINC000459287770 339019390 /nfs/dbraw/zinc/01/93/90/339019390.db2.gz IOPYDBKRTBGQAM-UHFFFAOYSA-N 1 2 319.861 4.257 20 30 DIEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000459485370 339032256 /nfs/dbraw/zinc/03/22/56/339032256.db2.gz IPXTUTKMVNLXMQ-CYBMUJFWSA-N 1 2 321.380 4.195 20 30 DIEDLO N#CCCC[N@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459596012 339038039 /nfs/dbraw/zinc/03/80/39/339038039.db2.gz SHSSIGALLDRGRB-OAHLLOKOSA-N 1 2 302.809 4.047 20 30 DIEDLO N#CCCC[N@@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459596012 339038040 /nfs/dbraw/zinc/03/80/40/339038040.db2.gz SHSSIGALLDRGRB-OAHLLOKOSA-N 1 2 302.809 4.047 20 30 DIEDLO N#CCCC[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459596012 339038041 /nfs/dbraw/zinc/03/80/41/339038041.db2.gz SHSSIGALLDRGRB-OAHLLOKOSA-N 1 2 302.809 4.047 20 30 DIEDLO N#CCCC[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459596012 339038042 /nfs/dbraw/zinc/03/80/42/339038042.db2.gz SHSSIGALLDRGRB-OAHLLOKOSA-N 1 2 302.809 4.047 20 30 DIEDLO CCCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000462846137 339094001 /nfs/dbraw/zinc/09/40/01/339094001.db2.gz TWIXDCMFWMDUDG-PBHICJAKSA-N 1 2 316.445 4.109 20 30 DIEDLO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C#N)C1CCCCC1 ZINC000463916764 339128949 /nfs/dbraw/zinc/12/89/49/339128949.db2.gz VPWUTSQYOUZYFA-MOPGFXCFSA-N 1 2 302.437 4.455 20 30 DIEDLO COc1ccc(C#N)cc1N[C@H]1CCC[C@@H](c2[nH+]cccc2C)C1 ZINC000467493030 339240413 /nfs/dbraw/zinc/24/04/13/339240413.db2.gz FKQNYIUWKSNTHH-SJORKVTESA-N 1 2 321.424 4.409 20 30 DIEDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(F)ccc1C#N ZINC000469147534 339281431 /nfs/dbraw/zinc/28/14/31/339281431.db2.gz FQJKFWLKBUYRJR-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(F)ccc1C#N ZINC000469147534 339281432 /nfs/dbraw/zinc/28/14/32/339281432.db2.gz FQJKFWLKBUYRJR-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(Oc2ccccc2)cc1 ZINC000469292683 339285357 /nfs/dbraw/zinc/28/53/57/339285357.db2.gz QOKXPXAYJHCDHL-INIZCTEOSA-N 1 2 310.397 4.092 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(Oc2ccccc2)cc1 ZINC000469292683 339285358 /nfs/dbraw/zinc/28/53/58/339285358.db2.gz QOKXPXAYJHCDHL-INIZCTEOSA-N 1 2 310.397 4.092 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1nn(CC)c2ccccc12 ZINC000473143105 339382438 /nfs/dbraw/zinc/38/24/38/339382438.db2.gz FCCYPWKUNADYAT-UHFFFAOYSA-N 1 2 311.454 4.306 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1nn(CC)c2ccccc12 ZINC000473143105 339382439 /nfs/dbraw/zinc/38/24/39/339382439.db2.gz FCCYPWKUNADYAT-UHFFFAOYSA-N 1 2 311.454 4.306 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1c(F)cccc1F ZINC000480882824 339589546 /nfs/dbraw/zinc/58/95/46/339589546.db2.gz TWNJDBXPZGGOBN-JTQLQIEISA-N 1 2 306.743 4.341 20 30 DIEDLO COc1ccc(COc2cc(C)[nH+]c3ccccc32)cc1C#N ZINC000486189861 339723010 /nfs/dbraw/zinc/72/30/10/339723010.db2.gz JHBWFLVEPDMYRT-UHFFFAOYSA-N 1 2 304.349 4.003 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccnn1C1CCCC1)c1ccc(Cl)cc1 ZINC000491486954 339864063 /nfs/dbraw/zinc/86/40/63/339864063.db2.gz ZLFOTWUWHLPGRO-GOSISDBHSA-N 1 2 313.832 4.116 20 30 DIEDLO Cc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000502778980 340113371 /nfs/dbraw/zinc/11/33/71/340113371.db2.gz MSPDWTUGYCDKCF-UHFFFAOYSA-N 1 2 318.424 4.074 20 30 DIEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000509008521 340258058 /nfs/dbraw/zinc/25/80/58/340258058.db2.gz ZHXRDBQNOUZSIE-AZUAARDMSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(F)c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000509008521 340258059 /nfs/dbraw/zinc/25/80/59/340258059.db2.gz ZHXRDBQNOUZSIE-AZUAARDMSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000509008522 340258062 /nfs/dbraw/zinc/25/80/62/340258062.db2.gz ZHXRDBQNOUZSIE-ICSRJNTNSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(F)c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000509008522 340258063 /nfs/dbraw/zinc/25/80/63/340258063.db2.gz ZHXRDBQNOUZSIE-ICSRJNTNSA-N 1 2 324.399 4.106 20 30 DIEDLO CC[N@@H+](Cc1cc(Br)ccc1Cl)C[C@H](C)C#N ZINC000509767689 340278647 /nfs/dbraw/zinc/27/86/47/340278647.db2.gz VJZQABVPRJLFPJ-SNVBAGLBSA-N 1 2 315.642 4.084 20 30 DIEDLO CC[N@H+](Cc1cc(Br)ccc1Cl)C[C@H](C)C#N ZINC000509767689 340278648 /nfs/dbraw/zinc/27/86/48/340278648.db2.gz VJZQABVPRJLFPJ-SNVBAGLBSA-N 1 2 315.642 4.084 20 30 DIEDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000510899525 340314340 /nfs/dbraw/zinc/31/43/40/340314340.db2.gz AMPVOKBJFLEWLV-JTQLQIEISA-N 1 2 301.192 4.382 20 30 DIEDLO N#CC1(F)CC[NH+]([C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000510939699 340315589 /nfs/dbraw/zinc/31/55/89/340315589.db2.gz YWCUXEQHVWBPCD-CQSZACIVSA-N 1 2 313.203 4.308 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1c(F)cccc1F ZINC000512153586 340350234 /nfs/dbraw/zinc/35/02/34/340350234.db2.gz TWAQUFWTWBFLNE-ZDUSSCGKSA-N 1 2 321.367 4.189 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1c(F)cccc1F ZINC000512153586 340350235 /nfs/dbraw/zinc/35/02/35/340350235.db2.gz TWAQUFWTWBFLNE-ZDUSSCGKSA-N 1 2 321.367 4.189 20 30 DIEDLO C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(C#N)cc1F ZINC000512654090 340371384 /nfs/dbraw/zinc/37/13/84/340371384.db2.gz JDZNXYSSZZVJAV-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO C[C@H]([NH2+]Cc1ncoc1-c1ccccc1)c1ccc(C#N)cc1F ZINC000512665738 340371806 /nfs/dbraw/zinc/37/18/06/340371806.db2.gz HKLJOINSNYWESP-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000512669204 340372262 /nfs/dbraw/zinc/37/22/62/340372262.db2.gz ZFQYVBBJIPQLBV-QWRGUYRKSA-N 1 2 304.315 4.387 20 30 DIEDLO N#CCCCOc1cccc(C[NH2+]C2(C(F)F)CCCCC2)c1 ZINC000512898534 340383292 /nfs/dbraw/zinc/38/32/92/340383292.db2.gz DYORULRVCOAPLL-UHFFFAOYSA-N 1 2 322.399 4.427 20 30 DIEDLO N#Cc1cccc(C[NH2+]CC(F)(F)c2ccc(Cl)cc2)c1 ZINC000513002337 340387762 /nfs/dbraw/zinc/38/77/62/340387762.db2.gz XNINZPCQWWMSFB-UHFFFAOYSA-N 1 2 306.743 4.093 20 30 DIEDLO CC#CCCCC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000185450452 340501199 /nfs/dbraw/zinc/50/11/99/340501199.db2.gz ZUGNXXHWLSLCIH-UHFFFAOYSA-N 1 2 321.424 4.019 20 30 DIEDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000187418355 340519807 /nfs/dbraw/zinc/51/98/07/340519807.db2.gz PJTRQLLKZTXIPB-NSHDSACASA-N 1 2 318.779 4.210 20 30 DIEDLO Cc1ccc2nc(/C=C/c3c[nH+]c4ccc(C#N)cn34)ccc2c1 ZINC000524239203 340650603 /nfs/dbraw/zinc/65/06/03/340650603.db2.gz OEOIMVJWAGBREV-VOTSOKGWSA-N 1 2 310.360 4.233 20 30 DIEDLO N#CC1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000123758109 340794596 /nfs/dbraw/zinc/79/45/96/340794596.db2.gz ZOJRZENJJATSPF-UHFFFAOYSA-N 1 2 302.727 4.094 20 30 DIEDLO Cc1ccc(C#N)c(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)n1 ZINC000543727045 341055372 /nfs/dbraw/zinc/05/53/72/341055372.db2.gz IBNMOKKWIZHERJ-HNNXBMFYSA-N 1 2 321.428 4.088 20 30 DIEDLO Cc1nc(Nc2cccc(OCCCC#N)c2)c2c([nH+]1)CCCC2 ZINC000543876751 341062377 /nfs/dbraw/zinc/06/23/77/341062377.db2.gz CHVJOSAHHALDSO-UHFFFAOYSA-N 1 2 322.412 4.090 20 30 DIEDLO C[N@H+](Cc1nc(-c2ccccc2)cs1)Cc1ccc(C#N)cc1 ZINC000131180812 341064083 /nfs/dbraw/zinc/06/40/83/341064083.db2.gz BAUKQHPTAQXJHJ-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO C[N@@H+](Cc1nc(-c2ccccc2)cs1)Cc1ccc(C#N)cc1 ZINC000131180812 341064084 /nfs/dbraw/zinc/06/40/84/341064084.db2.gz BAUKQHPTAQXJHJ-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO CCCCCOc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000545220216 341115109 /nfs/dbraw/zinc/11/51/09/341115109.db2.gz IRTAWAQPGSAMKS-UHFFFAOYSA-N 1 2 309.413 4.329 20 30 DIEDLO Cc1ccccc1-c1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000548933677 341281470 /nfs/dbraw/zinc/28/14/70/341281470.db2.gz XGMNMGQICBEJJF-HNNXBMFYSA-N 1 2 317.392 4.373 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1ccncc1F)c1ccc(F)c(F)c1 ZINC000551281715 341337021 /nfs/dbraw/zinc/33/70/21/341337021.db2.gz HEJNKPNKRIROMR-PIGZYNQJSA-N 1 2 306.331 4.467 20 30 DIEDLO CC[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@@H](C)C#N ZINC000551807622 341352348 /nfs/dbraw/zinc/35/23/48/341352348.db2.gz LABLCOTUWIWVEG-LBPRGKRZSA-N 1 2 319.861 4.445 20 30 DIEDLO CC[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@@H](C)C#N ZINC000551807622 341352349 /nfs/dbraw/zinc/35/23/49/341352349.db2.gz LABLCOTUWIWVEG-LBPRGKRZSA-N 1 2 319.861 4.445 20 30 DIEDLO C[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)CC(C)(C)C#N ZINC000552085850 341368385 /nfs/dbraw/zinc/36/83/85/341368385.db2.gz OMIHZMGOLGEHPT-UHFFFAOYSA-N 1 2 304.743 4.340 20 30 DIEDLO C[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)CC(C)(C)C#N ZINC000552085850 341368386 /nfs/dbraw/zinc/36/83/86/341368386.db2.gz OMIHZMGOLGEHPT-UHFFFAOYSA-N 1 2 304.743 4.340 20 30 DIEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@](C)(C#N)CC)c1 ZINC000552093615 341369274 /nfs/dbraw/zinc/36/92/74/341369274.db2.gz SICKFUWJSJPNLG-LJQANCHMSA-N 1 2 324.428 4.229 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000574330134 341755514 /nfs/dbraw/zinc/75/55/14/341755514.db2.gz RMOZCCZIXYPZAS-OAHLLOKOSA-N 1 2 311.429 4.325 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1c(F)cccc1Cl ZINC000178793239 341965071 /nfs/dbraw/zinc/96/50/71/341965071.db2.gz WBOAKULMLOQXBL-SNVBAGLBSA-N 1 2 306.743 4.341 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)o1 ZINC000160705674 526612219 /nfs/dbraw/zinc/61/22/19/526612219.db2.gz VKYAMQKTDOLDEG-OAHLLOKOSA-N 1 2 309.394 4.098 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)o1 ZINC000160705674 526612222 /nfs/dbraw/zinc/61/22/22/526612222.db2.gz VKYAMQKTDOLDEG-OAHLLOKOSA-N 1 2 309.394 4.098 20 30 DIEDLO CCOc1c(Cl)cc(C[N@H+](CC)CCC#N)cc1Cl ZINC001233106286 1054184920 /nfs/dbraw/zinc/18/49/20/1054184920.db2.gz WOAVBMILMGDOBQ-UHFFFAOYSA-N 1 2 301.217 4.128 20 30 DIEDLO CCOc1c(Cl)cc(C[N@@H+](CC)CCC#N)cc1Cl ZINC001233106286 1054184929 /nfs/dbraw/zinc/18/49/29/1054184929.db2.gz WOAVBMILMGDOBQ-UHFFFAOYSA-N 1 2 301.217 4.128 20 30 DIEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000274514125 1035506444 /nfs/dbraw/zinc/50/64/44/1035506444.db2.gz XDDMULLBVKGETB-AWEZNQCLSA-N 1 2 314.454 4.129 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cc(OC)cc(C)n1)c1ccc(F)c(F)c1 ZINC000274775652 1035763533 /nfs/dbraw/zinc/76/35/33/1035763533.db2.gz JKJROIFJTQVXON-SFHVURJKSA-N 1 2 318.367 4.084 20 30 DIEDLO CSc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1F ZINC000255002062 1035904222 /nfs/dbraw/zinc/90/42/22/1035904222.db2.gz OITOXDAXQXGIIV-SREVYHEPSA-N 1 2 312.369 4.091 20 30 DIEDLO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1c1[nH+]c(C)ccc1CC#N ZINC001167131566 1036160661 /nfs/dbraw/zinc/16/06/61/1036160661.db2.gz IJDZLDNELRVEOR-MJGOQNOKSA-N 1 2 315.461 4.224 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1cccc(C#N)c1 ZINC000610346161 1036842497 /nfs/dbraw/zinc/84/24/97/1036842497.db2.gz NFHIXHYZUHZKBB-KGLIPLIRSA-N 1 2 318.380 4.020 20 30 DIEDLO COc1cc(Nc2ccc(N3CCCCC3)c(C#N)c2)cc(C)[nH+]1 ZINC001210780944 1036965247 /nfs/dbraw/zinc/96/52/47/1036965247.db2.gz TXJJCXBCSPVBIL-UHFFFAOYSA-N 1 2 322.412 4.004 20 30 DIEDLO N#Cc1c(NCc2ccccc2-n2cc[nH+]c2)cccc1C(F)F ZINC000580606445 1037221991 /nfs/dbraw/zinc/22/19/91/1037221991.db2.gz RAIFOAUYSRZEER-UHFFFAOYSA-N 1 2 324.334 4.294 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(F)cc1F ZINC000187402121 1037451656 /nfs/dbraw/zinc/45/16/56/1037451656.db2.gz PYGQWVNLZHJRPP-JTQLQIEISA-N 1 2 306.743 4.341 20 30 DIEDLO CCCCCCCN1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC001167453536 1037522367 /nfs/dbraw/zinc/52/23/67/1037522367.db2.gz KPJAKPVPXHKCSJ-UHFFFAOYSA-N 1 2 308.535 4.399 20 30 DIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+]C1CCC(C#N)CC1 ZINC000602492621 1038020694 /nfs/dbraw/zinc/02/06/94/1038020694.db2.gz WAHJUQNGNGUCDD-UHFFFAOYSA-N 1 2 315.486 4.043 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1cccc(C#N)c1 ZINC000610864007 1038381448 /nfs/dbraw/zinc/38/14/48/1038381448.db2.gz AKPRKFURNRLJSK-KGLIPLIRSA-N 1 2 318.380 4.020 20 30 DIEDLO C=CCCC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000605150403 1038494546 /nfs/dbraw/zinc/49/45/46/1038494546.db2.gz VRDCRNBEZNJQFH-HNNXBMFYSA-N 1 2 300.229 4.333 20 30 DIEDLO C=CCCC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000605150403 1038494549 /nfs/dbraw/zinc/49/45/49/1038494549.db2.gz VRDCRNBEZNJQFH-HNNXBMFYSA-N 1 2 300.229 4.333 20 30 DIEDLO C[C@@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(C#N)cc1F ZINC000611589252 1038639006 /nfs/dbraw/zinc/63/90/06/1038639006.db2.gz VTAJIYADVCYLQV-HWPZZCPQSA-N 1 2 316.763 4.135 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(Cl)s3)c[nH+]c12 ZINC000255513033 1038706015 /nfs/dbraw/zinc/70/60/15/1038706015.db2.gz ITPTWLWYOUEUJE-PLNGDYQASA-N 1 2 302.786 4.254 20 30 DIEDLO C=CCC[C@@H](CC)[NH2+][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000133070902 1038725252 /nfs/dbraw/zinc/72/52/52/1038725252.db2.gz GHGBVVQUUFGCTE-HZPDHXFCSA-N 1 2 319.836 4.455 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@H+](CCC#N)C(C)C)cc1OC ZINC000534341754 1039032794 /nfs/dbraw/zinc/03/27/94/1039032794.db2.gz UAZQYMNJNRZXLB-UHFFFAOYSA-N 1 2 324.852 4.261 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@@H+](CCC#N)C(C)C)cc1OC ZINC000534341754 1039032815 /nfs/dbraw/zinc/03/28/15/1039032815.db2.gz UAZQYMNJNRZXLB-UHFFFAOYSA-N 1 2 324.852 4.261 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(C(C)(C)C)cs1 ZINC000178789651 1039152534 /nfs/dbraw/zinc/15/25/34/1039152534.db2.gz IMWJISBAHFENTF-LLVKDONJSA-N 1 2 317.433 4.302 20 30 DIEDLO C=CCOc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1Cl ZINC000539821145 1039348536 /nfs/dbraw/zinc/34/85/36/1039348536.db2.gz YPOVOHAAZFHKFH-ZDUSSCGKSA-N 1 2 304.821 4.029 20 30 DIEDLO C=CCOc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1Cl ZINC000539821145 1039348550 /nfs/dbraw/zinc/34/85/50/1039348550.db2.gz YPOVOHAAZFHKFH-ZDUSSCGKSA-N 1 2 304.821 4.029 20 30 DIEDLO CC(C)[N@H+](Cc1ccccc1F)Cc1cccc(C#N)c1F ZINC000540340558 1039481515 /nfs/dbraw/zinc/48/15/15/1039481515.db2.gz LVJMJFLMNNQSET-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC(C)[N@@H+](Cc1ccccc1F)Cc1cccc(C#N)c1F ZINC000540340558 1039481520 /nfs/dbraw/zinc/48/15/20/1039481520.db2.gz LVJMJFLMNNQSET-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO COc1ccccc1-n1c[nH+]c2cc(NCCCCC#N)ccc21 ZINC001168435373 1039504093 /nfs/dbraw/zinc/50/40/93/1039504093.db2.gz AQDQIJUSMUIDLU-UHFFFAOYSA-N 1 2 320.396 4.140 20 30 DIEDLO CC(C)c1cc(NCCc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC001167678497 1040120804 /nfs/dbraw/zinc/12/08/04/1040120804.db2.gz LASZUIPSWNAHSB-UHFFFAOYSA-N 1 2 308.429 4.250 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(Cl)c(F)c1 ZINC000162256005 1040622746 /nfs/dbraw/zinc/62/27/46/1040622746.db2.gz YCUMARXOUNLLRZ-UHFFFAOYSA-N 1 2 319.767 4.169 20 30 DIEDLO CC(C)Oc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000180310646 1041115523 /nfs/dbraw/zinc/11/55/23/1041115523.db2.gz INQZXQGDOAICLZ-DHZHZOJOSA-N 1 2 306.365 4.018 20 30 DIEDLO C#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000809600434 1041201581 /nfs/dbraw/zinc/20/15/81/1041201581.db2.gz UCXJCLMWKHKNQP-UHFFFAOYSA-N 1 2 307.784 4.119 20 30 DIEDLO CC(=[NH+]Nc1cccc2cnccc21)c1ccc(N)cc1Cl ZINC000782903916 1041322609 /nfs/dbraw/zinc/32/26/09/1041322609.db2.gz PHWJXZGRFONBOQ-UHFFFAOYSA-N 1 2 310.788 4.307 20 30 DIEDLO CCCCCCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000725882055 1041492421 /nfs/dbraw/zinc/49/24/21/1041492421.db2.gz GZOUYMIJTXHRQJ-UHFFFAOYSA-N 1 2 315.461 4.052 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000811516730 1041528777 /nfs/dbraw/zinc/52/87/77/1041528777.db2.gz UWBKOFDUKPEOJC-HNNXBMFYSA-N 1 2 309.718 4.221 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000811516731 1041529283 /nfs/dbraw/zinc/52/92/83/1041529283.db2.gz UWBKOFDUKPEOJC-OAHLLOKOSA-N 1 2 309.718 4.221 20 30 DIEDLO C=C(C)C[C@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000274322472 1041537552 /nfs/dbraw/zinc/53/75/52/1041537552.db2.gz GOPZHSYSQIIXIG-HNNXBMFYSA-N 1 2 321.424 4.143 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3csc(C(C)C)n3)n2c1 ZINC000812243763 1041606327 /nfs/dbraw/zinc/60/63/27/1041606327.db2.gz UMLOIVXFLJFMBE-WAYWQWQTSA-N 1 2 311.410 4.119 20 30 DIEDLO C#C[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(F)cc1 ZINC000812794908 1041652031 /nfs/dbraw/zinc/65/20/31/1041652031.db2.gz HRGNQDIAVVGIJL-ZDUSSCGKSA-N 1 2 324.218 4.114 20 30 DIEDLO CC(=[NH+]Nc1cccc(C(F)(F)F)c1)c1cc(N)ccc1F ZINC000814690207 1041854340 /nfs/dbraw/zinc/85/43/40/1041854340.db2.gz YBPSKFQJYGAWFR-UHFFFAOYSA-N 1 2 311.282 4.263 20 30 DIEDLO CCC(=[NH+]Nc1ccnc2ccccc21)c1ccc(Cl)c(N)c1 ZINC000814841137 1041875939 /nfs/dbraw/zinc/87/59/39/1041875939.db2.gz CITDAKJFVVNVBD-UHFFFAOYSA-N 1 2 324.815 4.119 20 30 DIEDLO CCC(=[NH+]Nc1ccccc1OC(F)(F)F)c1cccc(N)c1 ZINC000814906951 1041888063 /nfs/dbraw/zinc/88/80/63/1041888063.db2.gz OWFXXRIQDYUSLO-UHFFFAOYSA-N 1 2 323.318 4.394 20 30 DIEDLO C=CC[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)COC ZINC000661248951 1041911326 /nfs/dbraw/zinc/91/13/26/1041911326.db2.gz XBAMNCLGHAWHQW-CYBMUJFWSA-N 1 2 320.820 4.018 20 30 DIEDLO C=CC[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)COC ZINC000661248951 1041911332 /nfs/dbraw/zinc/91/13/32/1041911332.db2.gz XBAMNCLGHAWHQW-CYBMUJFWSA-N 1 2 320.820 4.018 20 30 DIEDLO C=CCCCCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661537611 1041950914 /nfs/dbraw/zinc/95/09/14/1041950914.db2.gz VWRUARDTIMHYQS-ZDUSSCGKSA-N 1 2 313.367 4.379 20 30 DIEDLO C=CCCCCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661537611 1041950919 /nfs/dbraw/zinc/95/09/19/1041950919.db2.gz VWRUARDTIMHYQS-ZDUSSCGKSA-N 1 2 313.367 4.379 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001143517300 1041993621 /nfs/dbraw/zinc/99/36/21/1041993621.db2.gz IXWMXRNSUUVLDE-UHFFFAOYSA-N 1 2 314.351 4.230 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001143517300 1041993625 /nfs/dbraw/zinc/99/36/25/1041993625.db2.gz IXWMXRNSUUVLDE-UHFFFAOYSA-N 1 2 314.351 4.230 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(Cl)cc1 ZINC000816616499 1042072975 /nfs/dbraw/zinc/07/29/75/1042072975.db2.gz YIOPLEFNXFPTDP-OAHLLOKOSA-N 1 2 324.182 4.302 20 30 DIEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(COCC)cc1 ZINC000820619683 1042222199 /nfs/dbraw/zinc/22/21/99/1042222199.db2.gz XWOUUMZDGYAKEG-UHFFFAOYSA-N 1 2 324.424 4.022 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(-c2ccccc2F)s1 ZINC000823382705 1042322554 /nfs/dbraw/zinc/32/25/54/1042322554.db2.gz MSJJJRJMPIVJJG-UHFFFAOYSA-N 1 2 317.433 4.321 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(-c2ccccc2F)s1 ZINC000823382705 1042322560 /nfs/dbraw/zinc/32/25/60/1042322560.db2.gz MSJJJRJMPIVJJG-UHFFFAOYSA-N 1 2 317.433 4.321 20 30 DIEDLO C#CC[N@H+](Cc1cc(-c2ccco2)on1)[C@@H]1CCc2ccccc21 ZINC000728913163 1042365049 /nfs/dbraw/zinc/36/50/49/1042365049.db2.gz FXOJIWHQHCIERS-GOSISDBHSA-N 1 2 318.376 4.057 20 30 DIEDLO C#CC[N@@H+](Cc1cc(-c2ccco2)on1)[C@@H]1CCc2ccccc21 ZINC000728913163 1042365051 /nfs/dbraw/zinc/36/50/51/1042365051.db2.gz FXOJIWHQHCIERS-GOSISDBHSA-N 1 2 318.376 4.057 20 30 DIEDLO C[C@H](C#N)C[N@H+](Cc1cc2ccnc(Cl)c2s1)C1CC1 ZINC000894085783 1042406765 /nfs/dbraw/zinc/40/67/65/1042406765.db2.gz UCIJVUNJFVNAND-SNVBAGLBSA-N 1 2 305.834 4.074 20 30 DIEDLO C[C@H](C#N)C[N@@H+](Cc1cc2ccnc(Cl)c2s1)C1CC1 ZINC000894085783 1042406768 /nfs/dbraw/zinc/40/67/68/1042406768.db2.gz UCIJVUNJFVNAND-SNVBAGLBSA-N 1 2 305.834 4.074 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)c1cnc(C)cn1 ZINC000411141935 1042427059 /nfs/dbraw/zinc/42/70/59/1042427059.db2.gz WIHMIXBPHKVOKO-GFCCVEGCSA-N 1 2 307.850 4.249 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)c1cnc(C)cn1 ZINC000411141935 1042427060 /nfs/dbraw/zinc/42/70/60/1042427060.db2.gz WIHMIXBPHKVOKO-GFCCVEGCSA-N 1 2 307.850 4.249 20 30 DIEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000120510534 1042460732 /nfs/dbraw/zinc/46/07/32/1042460732.db2.gz PGAGPWGJOYKCNQ-LLVKDONJSA-N 1 2 313.451 4.422 20 30 DIEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000120510534 1042460733 /nfs/dbraw/zinc/46/07/33/1042460733.db2.gz PGAGPWGJOYKCNQ-LLVKDONJSA-N 1 2 313.451 4.422 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000614395982 1042489961 /nfs/dbraw/zinc/48/99/61/1042489961.db2.gz IIZIFBVLDQZKAS-UHFFFAOYSA-N 1 2 302.780 4.291 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1c(F)cccc1Cl ZINC000614395982 1042489963 /nfs/dbraw/zinc/48/99/63/1042489963.db2.gz IIZIFBVLDQZKAS-UHFFFAOYSA-N 1 2 302.780 4.291 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc2ccc(Cl)cn12 ZINC000513729778 1042612899 /nfs/dbraw/zinc/61/28/99/1042612899.db2.gz SDUWDASTPUSDSL-UHFFFAOYSA-N 1 2 318.852 4.140 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2ccc(Cl)cn12 ZINC000513729778 1042612901 /nfs/dbraw/zinc/61/29/01/1042612901.db2.gz SDUWDASTPUSDSL-UHFFFAOYSA-N 1 2 318.852 4.140 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000513745665 1042628765 /nfs/dbraw/zinc/62/87/65/1042628765.db2.gz DKIDCJVHUWBYHB-UHFFFAOYSA-N 1 2 314.351 4.189 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000513745665 1042628769 /nfs/dbraw/zinc/62/87/69/1042628769.db2.gz DKIDCJVHUWBYHB-UHFFFAOYSA-N 1 2 314.351 4.189 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000513960287 1042763387 /nfs/dbraw/zinc/76/33/87/1042763387.db2.gz FEDROAPTRVVAOX-JTQLQIEISA-N 1 2 303.258 4.177 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000513960287 1042763388 /nfs/dbraw/zinc/76/33/88/1042763388.db2.gz FEDROAPTRVVAOX-JTQLQIEISA-N 1 2 303.258 4.177 20 30 DIEDLO C=C(C)CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001270613070 1042948857 /nfs/dbraw/zinc/94/88/57/1042948857.db2.gz JJFNCKCNXKSISK-UHFFFAOYSA-N 1 2 309.413 4.181 20 30 DIEDLO CCc1nc([C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)cs1 ZINC000331245899 1043116262 /nfs/dbraw/zinc/11/62/62/1043116262.db2.gz UNWYYXCYPLFRGU-NSHDSACASA-N 1 2 318.446 4.113 20 30 DIEDLO C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1cccc(C#N)c1O ZINC000866232239 1043162356 /nfs/dbraw/zinc/16/23/56/1043162356.db2.gz ICPYUVPFPHJKJG-LRDDRELGSA-N 1 2 310.422 4.152 20 30 DIEDLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866222000 1043162529 /nfs/dbraw/zinc/16/25/29/1043162529.db2.gz XFQPQNHJOBMDMB-UONOGXRCSA-N 1 2 310.397 4.074 20 30 DIEDLO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1O ZINC000866362458 1043187323 /nfs/dbraw/zinc/18/73/23/1043187323.db2.gz FFIQORVXLRBQBX-HNAYVOBHSA-N 1 2 319.408 4.350 20 30 DIEDLO C[C@@H]([NH2+]C1(c2cccc(F)c2)CCC1)c1cccc(C#N)c1O ZINC000866381021 1043193413 /nfs/dbraw/zinc/19/34/13/1043193413.db2.gz BUZLJKKJIRGGRU-CYBMUJFWSA-N 1 2 310.372 4.133 20 30 DIEDLO CC1(C)C/C(=C/c2cccc3[nH+]ccn32)C(=O)c2ccccc21 ZINC000794969042 1043257281 /nfs/dbraw/zinc/25/72/81/1043257281.db2.gz QMLUUAMEQNJJKV-OWBHPGMISA-N 1 2 302.377 4.282 20 30 DIEDLO Cc1cc2c(cc1C)C(=O)/C(=C/c1cccc3[nH+]ccn31)CS2 ZINC000777471322 1043261168 /nfs/dbraw/zinc/26/11/68/1043261168.db2.gz RSAQTDNZXRNAHC-GXDHUFHOSA-N 1 2 320.417 4.323 20 30 DIEDLO COc1cc(C[N@H+](C)[C@@H](C)c2c(F)cccc2F)ccc1C#N ZINC000442800314 1043426911 /nfs/dbraw/zinc/42/69/11/1043426911.db2.gz LPBKQGSHCCLTAZ-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1cc(C[N@@H+](C)[C@@H](C)c2c(F)cccc2F)ccc1C#N ZINC000442800314 1043426915 /nfs/dbraw/zinc/42/69/15/1043426915.db2.gz LPBKQGSHCCLTAZ-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO Cc1nc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000271511714 1043430076 /nfs/dbraw/zinc/43/00/76/1043430076.db2.gz OXWQJZHSQCRZDK-LLVKDONJSA-N 1 2 324.371 4.173 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc(C2CCCCC2)no1 ZINC000348542861 1043459432 /nfs/dbraw/zinc/45/94/32/1043459432.db2.gz DXPZYMIRUABDQE-CQSZACIVSA-N 1 2 324.428 4.034 20 30 DIEDLO CC(C)[N@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1F ZINC000521821772 1043487157 /nfs/dbraw/zinc/48/71/57/1043487157.db2.gz VLLXBNVEGRVCRZ-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC(C)[N@@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1F ZINC000521821772 1043487161 /nfs/dbraw/zinc/48/71/61/1043487161.db2.gz VLLXBNVEGRVCRZ-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cccc(C#N)c1O ZINC000926183663 1043540167 /nfs/dbraw/zinc/54/01/67/1043540167.db2.gz OHKKEUAHHXRJGG-MRXNPFEDSA-N 1 2 316.351 4.442 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc2[nH]c(C)cc2c1)c1cccc(C#N)c1O ZINC000926417927 1043573624 /nfs/dbraw/zinc/57/36/24/1043573624.db2.gz ONCYIIZYFYJLCQ-SFHVURJKSA-N 1 2 319.408 4.295 20 30 DIEDLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc(C#N)c1O ZINC000926510224 1043591667 /nfs/dbraw/zinc/59/16/67/1043591667.db2.gz LTZUUKVSAVWNMH-JEBQAFNWSA-N 1 2 322.408 4.217 20 30 DIEDLO CCc1ccc([C@H]([NH2+]CC2(C#N)CCC2)c2cccnc2)cc1 ZINC000926624023 1043607619 /nfs/dbraw/zinc/60/76/19/1043607619.db2.gz GOOXMLHXGSSOQC-IBGZPJMESA-N 1 2 305.425 4.017 20 30 DIEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000353437916 1043609272 /nfs/dbraw/zinc/60/92/72/1043609272.db2.gz SGLXSSHJTFTDAV-UHFFFAOYSA-N 1 2 324.472 4.251 20 30 DIEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000353437916 1043609276 /nfs/dbraw/zinc/60/92/76/1043609276.db2.gz SGLXSSHJTFTDAV-UHFFFAOYSA-N 1 2 324.472 4.251 20 30 DIEDLO N#CC1(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000926874314 1043646249 /nfs/dbraw/zinc/64/62/49/1043646249.db2.gz OKSAVZKHVOUMRE-HNNXBMFYSA-N 1 2 300.789 4.110 20 30 DIEDLO CCC[N@H+](Cc1nc(Cl)cs1)Cc1ccc(C#N)cc1 ZINC000876592739 1043699179 /nfs/dbraw/zinc/69/91/79/1043699179.db2.gz KSRDALULVOFFRV-UHFFFAOYSA-N 1 2 305.834 4.080 20 30 DIEDLO CCC[N@@H+](Cc1nc(Cl)cs1)Cc1ccc(C#N)cc1 ZINC000876592739 1043699192 /nfs/dbraw/zinc/69/91/92/1043699192.db2.gz KSRDALULVOFFRV-UHFFFAOYSA-N 1 2 305.834 4.080 20 30 DIEDLO C=CCC[C@H]([NH2+]c1ccc(N2CCSCC2)cc1)C1CC1 ZINC000777688439 1043743806 /nfs/dbraw/zinc/74/38/06/1043743806.db2.gz CTAUZCCZCQXMOO-SFHVURJKSA-N 1 2 302.487 4.397 20 30 DIEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCCCC2(C#N)CCC2)no1 ZINC000929307620 1043806832 /nfs/dbraw/zinc/80/68/32/1043806832.db2.gz QUZSKDUDZBVGQW-OAHLLOKOSA-N 1 2 316.449 4.023 20 30 DIEDLO CCc1nc([C@H]2CCCC[N@H+]2CCCCC2(C#N)CCC2)no1 ZINC000929307620 1043806848 /nfs/dbraw/zinc/80/68/48/1043806848.db2.gz QUZSKDUDZBVGQW-OAHLLOKOSA-N 1 2 316.449 4.023 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929484638 1043818984 /nfs/dbraw/zinc/81/89/84/1043818984.db2.gz CCJWOAQUAJEDQN-ZDUSSCGKSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929484638 1043819001 /nfs/dbraw/zinc/81/90/01/1043819001.db2.gz CCJWOAQUAJEDQN-ZDUSSCGKSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929484637 1043820330 /nfs/dbraw/zinc/82/03/30/1043820330.db2.gz CCJWOAQUAJEDQN-CYBMUJFWSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929484637 1043820336 /nfs/dbraw/zinc/82/03/36/1043820336.db2.gz CCJWOAQUAJEDQN-CYBMUJFWSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@H](c1ccccc1)[N@H+](Cc1cc[nH]n1)Cc1cccc(C#N)c1 ZINC001137130752 1043879865 /nfs/dbraw/zinc/87/98/65/1043879865.db2.gz GUKLCXCIRDZLMA-MRXNPFEDSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@H](c1ccccc1)[N@@H+](Cc1cc[nH]n1)Cc1cccc(C#N)c1 ZINC001137130752 1043879884 /nfs/dbraw/zinc/87/98/84/1043879884.db2.gz GUKLCXCIRDZLMA-MRXNPFEDSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@H](c1ccccc1)[N@H+](Cc1cc[nH]n1)Cc1ccc(C#N)cc1 ZINC001137130829 1043882474 /nfs/dbraw/zinc/88/24/74/1043882474.db2.gz KTNUGVWCGYGCRA-MRXNPFEDSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@H](c1ccccc1)[N@@H+](Cc1cc[nH]n1)Cc1ccc(C#N)cc1 ZINC001137130829 1043882476 /nfs/dbraw/zinc/88/24/76/1043882476.db2.gz KTNUGVWCGYGCRA-MRXNPFEDSA-N 1 2 316.408 4.045 20 30 DIEDLO C=CC(C)(C)CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000879303434 1043956564 /nfs/dbraw/zinc/95/65/64/1043956564.db2.gz RSZHHVFARISQPN-UHFFFAOYSA-N 1 2 321.424 4.143 20 30 DIEDLO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(C#N)c(F)c1 ZINC000561748660 1044001656 /nfs/dbraw/zinc/00/16/56/1044001656.db2.gz OKWRSPAUCGZYTR-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO CC(C)([NH2+]Cc1ccccc1C#N)c1cccc(Cl)c1F ZINC000185849792 1044005570 /nfs/dbraw/zinc/00/55/70/1044005570.db2.gz WUJXUJGNAZNWNH-UHFFFAOYSA-N 1 2 302.780 4.376 20 30 DIEDLO C=CCCC[C@@H]([NH2+]Cc1nc(CC2CC2)no1)c1ccccc1 ZINC000880389477 1044038148 /nfs/dbraw/zinc/03/81/48/1044038148.db2.gz HCDNYVGOEDNCFG-QGZVFWFLSA-N 1 2 311.429 4.209 20 30 DIEDLO C=CCCC[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000882237843 1044160778 /nfs/dbraw/zinc/16/07/78/1044160778.db2.gz QJJZPRVWNGILCO-AEFFLSMTSA-N 1 2 311.429 4.048 20 30 DIEDLO C=CCCC[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000882237844 1044161104 /nfs/dbraw/zinc/16/11/04/1044161104.db2.gz QJJZPRVWNGILCO-FUHWJXTLSA-N 1 2 311.429 4.048 20 30 DIEDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000347153492 1044202752 /nfs/dbraw/zinc/20/27/52/1044202752.db2.gz ARIPJEBBZWBOGC-SCLBCKFNSA-N 1 2 311.816 4.190 20 30 DIEDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000347153492 1044202763 /nfs/dbraw/zinc/20/27/63/1044202763.db2.gz ARIPJEBBZWBOGC-SCLBCKFNSA-N 1 2 311.816 4.190 20 30 DIEDLO N#Cc1ccc(C2CC[NH+](Cc3ncc(Cl)s3)CC2)cc1 ZINC000933613341 1044203377 /nfs/dbraw/zinc/20/33/77/1044203377.db2.gz YYQBTNSDBLSXDN-UHFFFAOYSA-N 1 2 317.845 4.048 20 30 DIEDLO CCSc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000883245838 1044243945 /nfs/dbraw/zinc/24/39/45/1044243945.db2.gz SQFSXNIAEWYSQY-CYBMUJFWSA-N 1 2 312.438 4.227 20 30 DIEDLO C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000935780940 1044366398 /nfs/dbraw/zinc/36/63/98/1044366398.db2.gz SSCJVKHUPXUSAP-HNNXBMFYSA-N 1 2 323.440 4.427 20 30 DIEDLO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000564844697 1044405808 /nfs/dbraw/zinc/40/58/08/1044405808.db2.gz NUIQGGSYPKRCSX-DNVCBOLYSA-N 1 2 323.827 4.463 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccc(C#N)cc1 ZINC000362237681 1044492777 /nfs/dbraw/zinc/49/27/77/1044492777.db2.gz MCPAUFPHTNMKKC-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO CC[NH+](CC)[C@H](CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000323903568 1044507865 /nfs/dbraw/zinc/50/78/65/1044507865.db2.gz ZJJBFKDWNQBKFW-DYESRHJHSA-N 1 2 321.468 4.292 20 30 DIEDLO C=CC[N@@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccc1 ZINC000444577014 1044570753 /nfs/dbraw/zinc/57/07/53/1044570753.db2.gz WOTRBNQTMRGTKF-UHFFFAOYSA-N 1 2 323.371 4.064 20 30 DIEDLO C=CC[N@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccc1 ZINC000444577014 1044570758 /nfs/dbraw/zinc/57/07/58/1044570758.db2.gz WOTRBNQTMRGTKF-UHFFFAOYSA-N 1 2 323.371 4.064 20 30 DIEDLO CC(C)(C#N)CCCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000367230304 1044733772 /nfs/dbraw/zinc/73/37/72/1044733772.db2.gz YTFTYPWAZWGWHO-UHFFFAOYSA-N 1 2 320.440 4.344 20 30 DIEDLO N#Cc1cccc(SCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000445604223 1044769711 /nfs/dbraw/zinc/76/97/11/1044769711.db2.gz KPEJQUQAPBITPT-UHFFFAOYSA-N 1 2 305.406 4.095 20 30 DIEDLO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(C#N)cc3Cl)cn2c1 ZINC000574949219 1044981662 /nfs/dbraw/zinc/98/16/62/1044981662.db2.gz PAJXYLXUJBKHOK-CYBMUJFWSA-N 1 2 324.815 4.019 20 30 DIEDLO CCCCCCCCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374364001 1045055025 /nfs/dbraw/zinc/05/50/25/1045055025.db2.gz FKDCPKADGJQJDH-KRWDZBQOSA-N 1 2 319.493 4.267 20 30 DIEDLO CC[C@@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1cccc(C#N)c1O ZINC000924888019 1045208076 /nfs/dbraw/zinc/20/80/76/1045208076.db2.gz VOBFOQFLFVOUPW-QZTJIDSGSA-N 1 2 322.408 4.137 20 30 DIEDLO CCCCCCCCC/C=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779213488 1045372678 /nfs/dbraw/zinc/37/26/78/1045372678.db2.gz KFLKUFKOHPZPPI-QXPKXGMISA-N 1 2 317.477 4.011 20 30 DIEDLO N#CC1(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)CCC1 ZINC000450214062 1045476516 /nfs/dbraw/zinc/47/65/16/1045476516.db2.gz XKAMHHDLRCNBLG-INIZCTEOSA-N 1 2 314.479 4.451 20 30 DIEDLO N#CC1(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)CCC1 ZINC000450214062 1045476519 /nfs/dbraw/zinc/47/65/19/1045476519.db2.gz XKAMHHDLRCNBLG-INIZCTEOSA-N 1 2 314.479 4.451 20 30 DIEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC001120661270 1045541301 /nfs/dbraw/zinc/54/13/01/1045541301.db2.gz ODTNZJLKKYSTGT-GUYCJALGSA-N 1 2 313.401 4.010 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3/C[C@@H](C)c4ccccc4C3=O)n2c1 ZINC000751535964 1045611759 /nfs/dbraw/zinc/61/17/59/1045611759.db2.gz NTBJFGAQSMPWNT-MKRLJBPISA-N 1 2 302.377 4.416 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3\C[C@H](C)c4ccccc4C3=O)n2c1 ZINC000751535962 1045612120 /nfs/dbraw/zinc/61/21/20/1045612120.db2.gz NTBJFGAQSMPWNT-GWQWUEFDSA-N 1 2 302.377 4.416 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451875592 1045736688 /nfs/dbraw/zinc/73/66/88/1045736688.db2.gz CLEBGZXHOKBFCL-LJQANCHMSA-N 1 2 316.408 4.162 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451875592 1045736699 /nfs/dbraw/zinc/73/66/99/1045736699.db2.gz CLEBGZXHOKBFCL-LJQANCHMSA-N 1 2 316.408 4.162 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 ZINC000901457933 1045739612 /nfs/dbraw/zinc/73/96/12/1045739612.db2.gz VOHYCOSVCMKASL-BQYQJAHWSA-N 1 2 308.303 4.379 20 30 DIEDLO COc1cc(Cl)ccc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901521731 1045756757 /nfs/dbraw/zinc/75/67/57/1045756757.db2.gz HAZOIYUOVJWLER-ALCCZGGFSA-N 1 2 304.777 4.022 20 30 DIEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3cccc(C)n13)CC2 ZINC000753900056 1045815966 /nfs/dbraw/zinc/81/59/66/1045815966.db2.gz GZYINOUIRXRZCB-LFIBNONCSA-N 1 2 302.377 4.164 20 30 DIEDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccc2F)c(C#N)c1 ZINC001137703289 1045941679 /nfs/dbraw/zinc/94/16/79/1045941679.db2.gz IDLUQVXEDMUTBK-HXUWFJFHSA-N 1 2 324.399 4.433 20 30 DIEDLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2F)c(C#N)c1 ZINC001137703289 1045941687 /nfs/dbraw/zinc/94/16/87/1045941687.db2.gz IDLUQVXEDMUTBK-HXUWFJFHSA-N 1 2 324.399 4.433 20 30 DIEDLO CCSc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000755604249 1046001589 /nfs/dbraw/zinc/00/15/89/1046001589.db2.gz MJPYBSBTNBWKCK-FLIBITNWSA-N 1 2 308.406 4.342 20 30 DIEDLO C#CC1CC[NH+](Cc2c(F)c(Cl)ccc2C(F)(F)F)CC1 ZINC001137985196 1046044066 /nfs/dbraw/zinc/04/40/66/1046044066.db2.gz ATMJSJXFGKRDDK-UHFFFAOYSA-N 1 2 319.729 4.343 20 30 DIEDLO COc1ccc2[nH+]c(C)cc(OCc3ccc(C#N)cc3)c2c1 ZINC000195581054 1046123710 /nfs/dbraw/zinc/12/37/10/1046123710.db2.gz GGLJPWPRAGWMDJ-UHFFFAOYSA-N 1 2 304.349 4.003 20 30 DIEDLO CCCCCCCC[C@@H](C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000831209437 1046125199 /nfs/dbraw/zinc/12/51/99/1046125199.db2.gz IBIMHRPOKCHRRU-SJORKVTESA-N 1 2 319.493 4.123 20 30 DIEDLO Oc1ccccc1C=Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000756848197 1046142909 /nfs/dbraw/zinc/14/29/09/1046142909.db2.gz XZGIBGZOHMXWEK-UHFFFAOYSA-N 1 2 315.376 4.058 20 30 DIEDLO CSc1ccccc1[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000903109421 1046167577 /nfs/dbraw/zinc/16/75/77/1046167577.db2.gz PBPVYZJPMMNCBN-GOSISDBHSA-N 1 2 308.450 4.391 20 30 DIEDLO CSc1ccccc1[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000903109422 1046168368 /nfs/dbraw/zinc/16/83/68/1046168368.db2.gz PBPVYZJPMMNCBN-SFHVURJKSA-N 1 2 308.450 4.391 20 30 DIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cc(F)ccc1F ZINC000783700420 1046174043 /nfs/dbraw/zinc/17/40/43/1046174043.db2.gz DKDBFLZHXIAOQG-RQOWECAXSA-N 1 2 316.332 4.108 20 30 DIEDLO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(Cl)c1F ZINC000903265201 1046213822 /nfs/dbraw/zinc/21/38/22/1046213822.db2.gz YSWMOYVENTXHBI-GFCCVEGCSA-N 1 2 309.797 4.048 20 30 DIEDLO CC[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccc(C#N)cc1 ZINC000903271938 1046216375 /nfs/dbraw/zinc/21/63/75/1046216375.db2.gz MBLWVCTZTGPFCQ-LNLFQRSKSA-N 1 2 310.372 4.071 20 30 DIEDLO CSc1ncc(C[N@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001138705055 1046273480 /nfs/dbraw/zinc/27/34/80/1046273480.db2.gz IKAPPPPCZYUMKK-UHFFFAOYSA-N 1 2 318.490 4.027 20 30 DIEDLO CSc1ncc(C[N@@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001138705055 1046273489 /nfs/dbraw/zinc/27/34/89/1046273489.db2.gz IKAPPPPCZYUMKK-UHFFFAOYSA-N 1 2 318.490 4.027 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC001139031004 1046363654 /nfs/dbraw/zinc/36/36/54/1046363654.db2.gz OSZHLNDPPMJFAP-UHFFFAOYSA-N 1 2 315.363 4.088 20 30 DIEDLO C=CCOc1ccccc1C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001139031004 1046363666 /nfs/dbraw/zinc/36/36/66/1046363666.db2.gz OSZHLNDPPMJFAP-UHFFFAOYSA-N 1 2 315.363 4.088 20 30 DIEDLO C=CCOc1ccccc1C[N@H+](C)Cc1cccc(F)c1F ZINC001139030517 1046364076 /nfs/dbraw/zinc/36/40/76/1046364076.db2.gz ITJWVGGQRVYSDO-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1cccc(F)c1F ZINC001139030517 1046364086 /nfs/dbraw/zinc/36/40/86/1046364086.db2.gz ITJWVGGQRVYSDO-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO Cc1ccc(F)c(N=NC(C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000759667762 1046370011 /nfs/dbraw/zinc/37/00/11/1046370011.db2.gz UYHRVKQVMVJIEH-UHFFFAOYSA-N 1 2 308.360 4.156 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1 ZINC000610864003 1046385791 /nfs/dbraw/zinc/38/57/91/1046385791.db2.gz AKPRKFURNRLJSK-KBPBESRZSA-N 1 2 318.380 4.020 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(F)c(Cl)c3)n21 ZINC000748998646 1046421916 /nfs/dbraw/zinc/42/19/16/1046421916.db2.gz RRLCCVRNDQRAOE-VURMDHGXSA-N 1 2 314.747 4.331 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cn(C)c4ccccc34)n21 ZINC000748997176 1046422096 /nfs/dbraw/zinc/42/20/96/1046422096.db2.gz HDGANYHZCGBJMQ-KHPPLWFESA-N 1 2 315.376 4.031 20 30 DIEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(SC(F)(F)F)c1)C1CC1 ZINC000781337534 1046441502 /nfs/dbraw/zinc/44/15/02/1046441502.db2.gz FPHLEUMPXPAZOY-NSHDSACASA-N 1 2 314.376 4.423 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(SC(F)(F)F)c1)C1CC1 ZINC000781337534 1046441507 /nfs/dbraw/zinc/44/15/07/1046441507.db2.gz FPHLEUMPXPAZOY-NSHDSACASA-N 1 2 314.376 4.423 20 30 DIEDLO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000781423398 1046444296 /nfs/dbraw/zinc/44/42/96/1046444296.db2.gz UZSVKXAJIRJUGV-AWEZNQCLSA-N 1 2 309.388 4.471 20 30 DIEDLO N#CCC[N@H+](Cc1ccc(-c2ccccc2)nc1)C1CCCC1 ZINC001139517901 1046460413 /nfs/dbraw/zinc/46/04/13/1046460413.db2.gz FNZBNJMBOUKCTP-UHFFFAOYSA-N 1 2 305.425 4.407 20 30 DIEDLO N#CCC[N@@H+](Cc1ccc(-c2ccccc2)nc1)C1CCCC1 ZINC001139517901 1046460417 /nfs/dbraw/zinc/46/04/17/1046460417.db2.gz FNZBNJMBOUKCTP-UHFFFAOYSA-N 1 2 305.425 4.407 20 30 DIEDLO COc1ccc(C)cc1C(=O)/C=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783700425 1046624179 /nfs/dbraw/zinc/62/41/79/1046624179.db2.gz DPTLAJNUMMIGEP-SNAWJCMRSA-N 1 2 324.405 4.147 20 30 DIEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000783709093 1046625986 /nfs/dbraw/zinc/62/59/86/1046625986.db2.gz JYYLZHVDUKBAAW-DHDCSXOGSA-N 1 2 320.417 4.455 20 30 DIEDLO N#CCC[N@H+](Cc1n[nH]c2ccccc21)C1CCCCCCC1 ZINC001137348706 1046693457 /nfs/dbraw/zinc/69/34/57/1046693457.db2.gz KUFYWKUNZBTRBJ-UHFFFAOYSA-N 1 2 310.445 4.391 20 30 DIEDLO N#CCC[N@@H+](Cc1n[nH]c2ccccc21)C1CCCCCCC1 ZINC001137348706 1046693461 /nfs/dbraw/zinc/69/34/61/1046693461.db2.gz KUFYWKUNZBTRBJ-UHFFFAOYSA-N 1 2 310.445 4.391 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cnc(-c2cccc(F)c2)s1 ZINC001140417768 1046707505 /nfs/dbraw/zinc/70/75/05/1046707505.db2.gz HUOFJBSVXUKYAT-UHFFFAOYSA-N 1 2 303.406 4.075 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cnc(-c2cccc(F)c2)s1 ZINC001140417768 1046707517 /nfs/dbraw/zinc/70/75/17/1046707517.db2.gz HUOFJBSVXUKYAT-UHFFFAOYSA-N 1 2 303.406 4.075 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001140558827 1046781609 /nfs/dbraw/zinc/78/16/09/1046781609.db2.gz HMYAFRADAICPGO-UHFFFAOYSA-N 1 2 320.742 4.364 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001140558827 1046781621 /nfs/dbraw/zinc/78/16/21/1046781621.db2.gz HMYAFRADAICPGO-UHFFFAOYSA-N 1 2 320.742 4.364 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001140568909 1046787485 /nfs/dbraw/zinc/78/74/85/1046787485.db2.gz SXQJQCKEBIPJFE-UHFFFAOYSA-N 1 2 316.754 4.484 20 30 DIEDLO Cc1ccc(Nc2cccc(Br)c2C#N)c(C)[nH+]1 ZINC000168570662 1046831937 /nfs/dbraw/zinc/83/19/37/1046831937.db2.gz GIQWWACJEQFOHW-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(O)c(Cl)c1 ZINC001140836283 1046924774 /nfs/dbraw/zinc/92/47/74/1046924774.db2.gz UFJIRCZUIMJCCZ-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(O)c(Cl)c1 ZINC001140836283 1046924779 /nfs/dbraw/zinc/92/47/79/1046924779.db2.gz UFJIRCZUIMJCCZ-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO N#CCC[N@@H+](Cc1c(N)cccc1F)C1CCCCCCC1 ZINC001140875091 1046938644 /nfs/dbraw/zinc/93/86/44/1046938644.db2.gz VXQMFOLHOKBSDP-UHFFFAOYSA-N 1 2 303.425 4.236 20 30 DIEDLO N#CCC[N@H+](Cc1c(N)cccc1F)C1CCCCCCC1 ZINC001140875091 1046938654 /nfs/dbraw/zinc/93/86/54/1046938654.db2.gz VXQMFOLHOKBSDP-UHFFFAOYSA-N 1 2 303.425 4.236 20 30 DIEDLO CN(Cc1ccccc1)c1ccc([NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000799724776 1047056868 /nfs/dbraw/zinc/05/68/68/1047056868.db2.gz RTDLQMVIYCTZFO-IEBWSBKVSA-N 1 2 305.425 4.427 20 30 DIEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)oc1C ZINC000799895334 1047069030 /nfs/dbraw/zinc/06/90/30/1047069030.db2.gz AHPSFANGMCRLOA-PLNGDYQASA-N 1 2 300.745 4.094 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000536711283 1047084472 /nfs/dbraw/zinc/08/44/72/1047084472.db2.gz ZDCAFKXEYZMRJE-INIZCTEOSA-N 1 2 320.436 4.486 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000536711283 1047084489 /nfs/dbraw/zinc/08/44/89/1047084489.db2.gz ZDCAFKXEYZMRJE-INIZCTEOSA-N 1 2 320.436 4.486 20 30 DIEDLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000897942894 1047305344 /nfs/dbraw/zinc/30/53/44/1047305344.db2.gz UJVYJBBZIBIFSW-UHFFFAOYSA-N 1 2 311.429 4.063 20 30 DIEDLO C[N@H+](Cc1ccsc1)Cc1cc(Br)ccc1C#N ZINC001141902735 1047307895 /nfs/dbraw/zinc/30/78/95/1047307895.db2.gz AYHLZTLXFLHRIL-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1ccsc1)Cc1cc(Br)ccc1C#N ZINC001141902735 1047307909 /nfs/dbraw/zinc/30/79/09/1047307909.db2.gz AYHLZTLXFLHRIL-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[C@@]1(C#N)CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000612163878 1047349325 /nfs/dbraw/zinc/34/93/25/1047349325.db2.gz ZPMDTJLDDSDVHP-INIZCTEOSA-N 1 2 321.262 4.007 20 30 DIEDLO C[C@@]1(C#N)CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000612163878 1047349334 /nfs/dbraw/zinc/34/93/34/1047349334.db2.gz ZPMDTJLDDSDVHP-INIZCTEOSA-N 1 2 321.262 4.007 20 30 DIEDLO COc1cc(Cl)c(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)c1 ZINC001142293217 1047423465 /nfs/dbraw/zinc/42/34/65/1047423465.db2.gz OJJGJAZCMVFEGP-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](CC#N)C2)c(Cl)c1 ZINC001142293217 1047423459 /nfs/dbraw/zinc/42/34/59/1047423459.db2.gz OJJGJAZCMVFEGP-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(Cl)c1O ZINC000841893348 1047462262 /nfs/dbraw/zinc/46/22/62/1047462262.db2.gz DKQIKMZPOQTVBA-QGZVFWFLSA-N 1 2 312.800 4.084 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(Cl)c1O ZINC000842888525 1047512054 /nfs/dbraw/zinc/51/20/54/1047512054.db2.gz SBSXRILFGZCLIT-QGZVFWFLSA-N 1 2 314.816 4.353 20 30 DIEDLO COc1ccc([C@@H](C)[N@H+](C)Cc2c(F)ccc(C#N)c2F)cc1 ZINC001143174211 1047537618 /nfs/dbraw/zinc/53/76/18/1047537618.db2.gz NNVYNEOMQKYSGZ-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2c(F)ccc(C#N)c2F)cc1 ZINC001143174211 1047537626 /nfs/dbraw/zinc/53/76/26/1047537626.db2.gz NNVYNEOMQKYSGZ-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000093090532 1047542771 /nfs/dbraw/zinc/54/27/71/1047542771.db2.gz HPWLXOMLAPQORC-JTQLQIEISA-N 1 2 311.212 4.003 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000093090532 1047542774 /nfs/dbraw/zinc/54/27/74/1047542774.db2.gz HPWLXOMLAPQORC-JTQLQIEISA-N 1 2 311.212 4.003 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1ncccc1C(F)(F)F ZINC000093100980 1047543368 /nfs/dbraw/zinc/54/33/68/1047543368.db2.gz WOFCJVAPMOTQFN-UHFFFAOYSA-N 1 2 313.367 4.252 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ncccc1C(F)(F)F ZINC000093100980 1047543375 /nfs/dbraw/zinc/54/33/75/1047543375.db2.gz WOFCJVAPMOTQFN-UHFFFAOYSA-N 1 2 313.367 4.252 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204711305 1047544113 /nfs/dbraw/zinc/54/41/13/1047544113.db2.gz VTLHJBJJFRTBSP-ZDUSSCGKSA-N 1 2 300.789 4.336 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204711305 1047544117 /nfs/dbraw/zinc/54/41/17/1047544117.db2.gz VTLHJBJJFRTBSP-ZDUSSCGKSA-N 1 2 300.789 4.336 20 30 DIEDLO CCN(CC)c1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)c[nH+]1 ZINC000538558902 1047688524 /nfs/dbraw/zinc/68/85/24/1047688524.db2.gz MPAHXIDPAGSJOS-CYBMUJFWSA-N 1 2 312.392 4.112 20 30 DIEDLO C(#CC1CCN(c2cccc(C3CC3)[nH+]2)CC1)c1ccccc1 ZINC001157531686 1047745853 /nfs/dbraw/zinc/74/58/53/1047745853.db2.gz QEXKBVOKUHRHGJ-UHFFFAOYSA-N 1 2 302.421 4.227 20 30 DIEDLO N#Cc1c(F)cccc1C[N@H+](Cc1ccccc1F)CC1CC1 ZINC001182950586 1047865337 /nfs/dbraw/zinc/86/53/37/1047865337.db2.gz WCVUSSOIMRDOSH-UHFFFAOYSA-N 1 2 312.363 4.249 20 30 DIEDLO N#Cc1c(F)cccc1C[N@@H+](Cc1ccccc1F)CC1CC1 ZINC001182950586 1047865356 /nfs/dbraw/zinc/86/53/56/1047865356.db2.gz WCVUSSOIMRDOSH-UHFFFAOYSA-N 1 2 312.363 4.249 20 30 DIEDLO N#Cc1ccc(Cl)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174525190 1047886908 /nfs/dbraw/zinc/88/69/08/1047886908.db2.gz YYBVTROMBXLUPP-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO C=C(C)C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C(=O)OC ZINC001183323991 1047917013 /nfs/dbraw/zinc/91/70/13/1047917013.db2.gz JFOJPGJZDCRGIU-OIISXLGYSA-N 1 2 321.848 4.074 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1F ZINC000774620121 1047920919 /nfs/dbraw/zinc/92/09/19/1047920919.db2.gz IOFZTKNXOYOBFB-QGZVFWFLSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1F ZINC000774620121 1047920926 /nfs/dbraw/zinc/92/09/26/1047920926.db2.gz IOFZTKNXOYOBFB-QGZVFWFLSA-N 1 2 316.326 4.313 20 30 DIEDLO C=C(C)C[C@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)C(=O)OCC ZINC001183551506 1047942164 /nfs/dbraw/zinc/94/21/64/1047942164.db2.gz RYULONIBMCKZBF-PREGVCBESA-N 1 2 321.848 4.074 20 30 DIEDLO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cc(Cl)cc(Cl)c1F ZINC001183740337 1047963025 /nfs/dbraw/zinc/96/30/25/1047963025.db2.gz NBUGYTARRUATRH-SECBINFHSA-N 1 2 324.186 4.250 20 30 DIEDLO N#CCc1cc[nH+]c(N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)c1 ZINC001160509585 1048064159 /nfs/dbraw/zinc/06/41/59/1048064159.db2.gz WIZKIYFGEWYRCD-CUDHKJQZSA-N 1 2 303.409 4.142 20 30 DIEDLO CC(C)(C#N)c1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184968463 1048107882 /nfs/dbraw/zinc/10/78/82/1048107882.db2.gz MNYSCSZSVBIYTA-UHFFFAOYSA-N 1 2 306.413 4.227 20 30 DIEDLO N#Cc1cc(Cl)c(Cl)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213034434 1048151314 /nfs/dbraw/zinc/15/13/14/1048151314.db2.gz JQMMWSZINVJFRL-UHFFFAOYSA-N 1 2 303.152 4.485 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(NCC3(CC4CC4)CCOCC3)c2c1 ZINC001161648332 1048151622 /nfs/dbraw/zinc/15/16/22/1048151622.db2.gz LXHIAXLDFFSKOQ-UHFFFAOYSA-N 1 2 321.424 4.115 20 30 DIEDLO CN(C)c1ccc(Nc2ccc(C3(C#N)CCCC3)cc2)c[nH+]1 ZINC001175345256 1048252485 /nfs/dbraw/zinc/25/24/85/1048252485.db2.gz UBUFRWAARHKQRX-UHFFFAOYSA-N 1 2 306.413 4.227 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1NCc1cnccc1C(F)(F)F ZINC001162287735 1048257324 /nfs/dbraw/zinc/25/73/24/1048257324.db2.gz JMPFUODBVHSFRH-UHFFFAOYSA-N 1 2 307.319 4.144 20 30 DIEDLO N#Cc1ccc2ccccc2c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350332 1048271401 /nfs/dbraw/zinc/27/14/01/1048271401.db2.gz GXCSUZSNCUIPQR-UHFFFAOYSA-N 1 2 314.392 4.450 20 30 DIEDLO CC(C)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(C#N)c1 ZINC001175351555 1048272618 /nfs/dbraw/zinc/27/26/18/1048272618.db2.gz IVVJMBRYHYKYRL-UHFFFAOYSA-N 1 2 306.413 4.420 20 30 DIEDLO C[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1cccc(N(C)C)c1 ZINC001162630248 1048316483 /nfs/dbraw/zinc/31/64/83/1048316483.db2.gz CCQOUVZZNMOKJR-AWEZNQCLSA-N 1 2 316.408 4.346 20 30 DIEDLO C#CCOc1ccc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)cc1 ZINC001163326833 1048451956 /nfs/dbraw/zinc/45/19/56/1048451956.db2.gz MBQVRTCSIMSLQG-UHFFFAOYSA-N 1 2 323.440 4.348 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000776253605 1048467450 /nfs/dbraw/zinc/46/74/50/1048467450.db2.gz SRKUMYZVNCBMAS-MRXNPFEDSA-N 1 2 318.779 4.319 20 30 DIEDLO [NH2+]=C(Nc1ccc(C2CC2)cn1)c1ccc(C(F)(F)F)cc1 ZINC001163683982 1048503773 /nfs/dbraw/zinc/50/37/73/1048503773.db2.gz MEUSUQKIIUYBCH-UHFFFAOYSA-N 1 2 305.303 4.015 20 30 DIEDLO [NH2+]=C(Nc1ccc2[nH]ccc2c1F)c1ccc(C(F)(F)F)cc1 ZINC001163684963 1048504248 /nfs/dbraw/zinc/50/42/48/1048504248.db2.gz FOVSOBPLZFUXLY-UHFFFAOYSA-N 1 2 321.277 4.363 20 30 DIEDLO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1cc(Cl)cc(Cl)c1F ZINC001175992811 1048521438 /nfs/dbraw/zinc/52/14/38/1048521438.db2.gz ZJVIQRXJMLRHCQ-VIFPVBQESA-N 1 2 324.186 4.250 20 30 DIEDLO N#Cc1c2c(cnc1NC(=[NH2+])C13CC4CC(CC(C4)C1)C3)CCC2 ZINC001163844176 1048535515 /nfs/dbraw/zinc/53/55/15/1048535515.db2.gz LRQLQCXJDSVWBG-UHFFFAOYSA-N 1 2 320.440 4.048 20 30 DIEDLO Cc1nc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c(C#N)c(C)c1C ZINC001163844116 1048535659 /nfs/dbraw/zinc/53/56/59/1048535659.db2.gz JMWSPFXHMKYEFT-UHFFFAOYSA-N 1 2 322.456 4.484 20 30 DIEDLO COc1cc[nH+]cc1Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC001176124590 1048577362 /nfs/dbraw/zinc/57/73/62/1048577362.db2.gz OONFTEYOFAZITR-UHFFFAOYSA-N 1 2 317.348 4.498 20 30 DIEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(F)ccc2C#N)s1 ZINC000160586327 1048715959 /nfs/dbraw/zinc/71/59/59/1048715959.db2.gz WQFCRAJQMKVWHN-GFCCVEGCSA-N 1 2 317.433 4.218 20 30 DIEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(F)ccc2C#N)s1 ZINC000160586327 1048715970 /nfs/dbraw/zinc/71/59/70/1048715970.db2.gz WQFCRAJQMKVWHN-GFCCVEGCSA-N 1 2 317.433 4.218 20 30 DIEDLO COc1cccc2c(NC(C)(C)c3ccc(C#N)cc3)cc[nH+]c12 ZINC001165761266 1048715900 /nfs/dbraw/zinc/71/59/00/1048715900.db2.gz UOSNRAAKDQGYAI-UHFFFAOYSA-N 1 2 317.392 4.462 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(Br)o1 ZINC000483281936 1048773562 /nfs/dbraw/zinc/77/35/62/1048773562.db2.gz OMJVSAUNVVILAG-UHFFFAOYSA-N 1 2 313.239 4.194 20 30 DIEDLO COc1ccc2[nH+]c(N(C)Cc3ccc(C#N)cc3)cc(C)c2c1 ZINC001166539910 1048760591 /nfs/dbraw/zinc/76/05/91/1048760591.db2.gz XMAMBGWLUXBZCJ-UHFFFAOYSA-N 1 2 317.392 4.060 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(Br)o1 ZINC000483281936 1048773553 /nfs/dbraw/zinc/77/35/53/1048773553.db2.gz OMJVSAUNVVILAG-UHFFFAOYSA-N 1 2 313.239 4.194 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1F ZINC000483525461 1048814422 /nfs/dbraw/zinc/81/44/22/1048814422.db2.gz GTTPBUMOVGJAQM-UHFFFAOYSA-N 1 2 316.326 4.140 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1F ZINC000483525461 1048814439 /nfs/dbraw/zinc/81/44/39/1048814439.db2.gz GTTPBUMOVGJAQM-UHFFFAOYSA-N 1 2 316.326 4.140 20 30 DIEDLO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328464 1048832312 /nfs/dbraw/zinc/83/23/12/1048832312.db2.gz FSFXMKXSXXNXFN-ICSRJNTNSA-N 1 2 323.415 4.229 20 30 DIEDLO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328464 1048832324 /nfs/dbraw/zinc/83/23/24/1048832324.db2.gz FSFXMKXSXXNXFN-ICSRJNTNSA-N 1 2 323.415 4.229 20 30 DIEDLO N#Cc1ccc(C=CNc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001203299092 1048860688 /nfs/dbraw/zinc/86/06/88/1048860688.db2.gz WYFSUTWOBTUMGL-ZRDIBKRKSA-N 1 2 304.397 4.026 20 30 DIEDLO Oc1ccc2ccccc2c1/C=[NH+]\CCC1SCCS1 ZINC000852999301 1048865077 /nfs/dbraw/zinc/86/50/77/1048865077.db2.gz YZYLCAFCAVAPFM-BOPFTXTBSA-N 1 2 303.452 4.161 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2c(Br)cccc2C#N)c1 ZINC001203663737 1048954656 /nfs/dbraw/zinc/95/46/56/1048954656.db2.gz QGMXEKHQIRNSGZ-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO COc1cc(Nc2ccc([NH+]3CCCCC3)cc2)ccc1C#N ZINC001203719908 1048978726 /nfs/dbraw/zinc/97/87/26/1048978726.db2.gz ZGYURNSNIPBNPL-UHFFFAOYSA-N 1 2 307.397 4.301 20 30 DIEDLO C#CCOc1ccc([C@H](C)Nc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000776803022 1049029376 /nfs/dbraw/zinc/02/93/76/1049029376.db2.gz SAPMBEFWLLIHBH-KRWDZBQOSA-N 1 2 320.436 4.472 20 30 DIEDLO CCCCCCCOc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001204366540 1049150870 /nfs/dbraw/zinc/15/08/70/1049150870.db2.gz OQOKHQUQPXKUKC-KDURUIRLSA-N 1 2 303.446 4.009 20 30 DIEDLO CCCCCCCOc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001204366540 1049150874 /nfs/dbraw/zinc/15/08/74/1049150874.db2.gz OQOKHQUQPXKUKC-KDURUIRLSA-N 1 2 303.446 4.009 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cccc1C(F)(F)F ZINC001204467669 1049169216 /nfs/dbraw/zinc/16/92/16/1049169216.db2.gz XWZYJVWBMNBMHB-CNDDSTCGSA-N 1 2 312.310 4.111 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cccc1C(F)(F)F ZINC001204467669 1049169218 /nfs/dbraw/zinc/16/92/18/1049169218.db2.gz XWZYJVWBMNBMHB-CNDDSTCGSA-N 1 2 312.310 4.111 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)cc1C(F)(F)F ZINC001204482513 1049173048 /nfs/dbraw/zinc/17/30/48/1049173048.db2.gz YNQNUXHDXCPHNZ-UHFFFAOYSA-N 1 2 302.315 4.360 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)cc1C(F)(F)F ZINC001204482513 1049173054 /nfs/dbraw/zinc/17/30/54/1049173054.db2.gz YNQNUXHDXCPHNZ-UHFFFAOYSA-N 1 2 302.315 4.360 20 30 DIEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(F)cc1C#N)[C@H]2C ZINC001193272480 1049192346 /nfs/dbraw/zinc/19/23/46/1049192346.db2.gz NDEYLVKVNQIMII-KGLIPLIRSA-N 1 2 324.399 4.214 20 30 DIEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(F)cc1C#N)[C@H]2C ZINC001193272480 1049192351 /nfs/dbraw/zinc/19/23/51/1049192351.db2.gz NDEYLVKVNQIMII-KGLIPLIRSA-N 1 2 324.399 4.214 20 30 DIEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]2C ZINC001193272481 1049194095 /nfs/dbraw/zinc/19/40/95/1049194095.db2.gz NDEYLVKVNQIMII-UONOGXRCSA-N 1 2 324.399 4.214 20 30 DIEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(F)cc1C#N)[C@@H]2C ZINC001193272481 1049194103 /nfs/dbraw/zinc/19/41/03/1049194103.db2.gz NDEYLVKVNQIMII-UONOGXRCSA-N 1 2 324.399 4.214 20 30 DIEDLO CCCCCCCOC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001193985944 1049293749 /nfs/dbraw/zinc/29/37/49/1049293749.db2.gz UHIJLOILTHAPBN-UHFFFAOYSA-N 1 2 301.390 4.391 20 30 DIEDLO C#CC[N@@H+](Cc1cccc(O)c1Cl)[C@@H]1CCc2ccccc21 ZINC001204930806 1049315986 /nfs/dbraw/zinc/31/59/86/1049315986.db2.gz NRQSGYIEHJEGMZ-QGZVFWFLSA-N 1 2 311.812 4.168 20 30 DIEDLO C#CC[N@H+](Cc1cccc(O)c1Cl)[C@@H]1CCc2ccccc21 ZINC001204930806 1049315998 /nfs/dbraw/zinc/31/59/98/1049315998.db2.gz NRQSGYIEHJEGMZ-QGZVFWFLSA-N 1 2 311.812 4.168 20 30 DIEDLO C#CC[NH+](CC#C)Cc1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001204969709 1049326078 /nfs/dbraw/zinc/32/60/78/1049326078.db2.gz CGOURQBLKFVBKH-UHFFFAOYSA-N 1 2 317.310 4.034 20 30 DIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](CCC#N)CC(C)C ZINC001180402167 1049351494 /nfs/dbraw/zinc/35/14/94/1049351494.db2.gz CSVZJPBTOIIBJX-UHFFFAOYSA-N 1 2 324.472 4.169 20 30 DIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](CCC#N)CC(C)C ZINC001180402167 1049351501 /nfs/dbraw/zinc/35/15/01/1049351501.db2.gz CSVZJPBTOIIBJX-UHFFFAOYSA-N 1 2 324.472 4.169 20 30 DIEDLO Cc1[nH]c2ccccc2c1C[N@H+](CCC#N)Cc1ccccc1 ZINC001204286638 1049422620 /nfs/dbraw/zinc/42/26/20/1049422620.db2.gz KZQWUVANPPSFIE-UHFFFAOYSA-N 1 2 303.409 4.392 20 30 DIEDLO Cc1[nH]c2ccccc2c1C[N@@H+](CCC#N)Cc1ccccc1 ZINC001204286638 1049422626 /nfs/dbraw/zinc/42/26/26/1049422626.db2.gz KZQWUVANPPSFIE-UHFFFAOYSA-N 1 2 303.409 4.392 20 30 DIEDLO CCCCCCCCCCOC(=O)NCCCn1cc[nH+]c1 ZINC001194923754 1049448962 /nfs/dbraw/zinc/44/89/62/1049448962.db2.gz SBCBSLUIWRJWHF-UHFFFAOYSA-N 1 2 309.454 4.140 20 30 DIEDLO N#Cc1c(F)cccc1C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001181656402 1049500357 /nfs/dbraw/zinc/50/03/57/1049500357.db2.gz QOBDNGXRRLGFCF-UHFFFAOYSA-N 1 2 306.384 4.135 20 30 DIEDLO N#Cc1c(F)cccc1C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001181656402 1049500370 /nfs/dbraw/zinc/50/03/70/1049500370.db2.gz QOBDNGXRRLGFCF-UHFFFAOYSA-N 1 2 306.384 4.135 20 30 DIEDLO Cn1cc(C[N@H+](CCC#N)Cc2ccccc2)c2ccccc21 ZINC001204311884 1049550039 /nfs/dbraw/zinc/55/00/39/1049550039.db2.gz MEXHRYFCMRWXAG-UHFFFAOYSA-N 1 2 303.409 4.094 20 30 DIEDLO Cn1cc(C[N@@H+](CCC#N)Cc2ccccc2)c2ccccc21 ZINC001204311884 1049550057 /nfs/dbraw/zinc/55/00/57/1049550057.db2.gz MEXHRYFCMRWXAG-UHFFFAOYSA-N 1 2 303.409 4.094 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc(OC)cc1C)c1ccc(Cl)cc1F ZINC001205756752 1049554397 /nfs/dbraw/zinc/55/43/97/1049554397.db2.gz ZPZLMAGPCWPUDI-SFHVURJKSA-N 1 2 317.791 4.260 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)cc1C)c1ccc(Cl)cc1F ZINC001205756751 1049554997 /nfs/dbraw/zinc/55/49/97/1049554997.db2.gz ZPZLMAGPCWPUDI-GOSISDBHSA-N 1 2 317.791 4.260 20 30 DIEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001205898438 1049594876 /nfs/dbraw/zinc/59/48/76/1049594876.db2.gz CBENVYHKDIPEEF-JKSUJKDBSA-N 1 2 301.434 4.263 20 30 DIEDLO C=CCC[C@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC000489018503 1049719196 /nfs/dbraw/zinc/71/91/96/1049719196.db2.gz URLVLYZTEJHNIV-INIZCTEOSA-N 1 2 305.381 4.023 20 30 DIEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2Cc3cccc(C(=O)OC)c3C2)CC1 ZINC001208176129 1049981180 /nfs/dbraw/zinc/98/11/80/1049981180.db2.gz AMHGHSYLQTUKFR-MRXNPFEDSA-N 1 2 311.425 4.091 20 30 DIEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2Cc3cccc(C(=O)OC)c3C2)CC1 ZINC001208176129 1049981188 /nfs/dbraw/zinc/98/11/88/1049981188.db2.gz AMHGHSYLQTUKFR-MRXNPFEDSA-N 1 2 311.425 4.091 20 30 DIEDLO CCCC[N@H+](Cc1nc(C#N)cs1)[C@@H](C)c1ccc(C)o1 ZINC000589495749 1050037993 /nfs/dbraw/zinc/03/79/93/1050037993.db2.gz HQMAJCQWYKBGGG-ZDUSSCGKSA-N 1 2 303.431 4.280 20 30 DIEDLO CCCC[N@@H+](Cc1nc(C#N)cs1)[C@@H](C)c1ccc(C)o1 ZINC000589495749 1050037996 /nfs/dbraw/zinc/03/79/96/1050037996.db2.gz HQMAJCQWYKBGGG-ZDUSSCGKSA-N 1 2 303.431 4.280 20 30 DIEDLO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000589511478 1050042696 /nfs/dbraw/zinc/04/26/96/1050042696.db2.gz NJEPMHDQXOCKDJ-BLSFAOBESA-N 1 2 320.383 4.317 20 30 DIEDLO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000589511478 1050042698 /nfs/dbraw/zinc/04/26/98/1050042698.db2.gz NJEPMHDQXOCKDJ-BLSFAOBESA-N 1 2 320.383 4.317 20 30 DIEDLO Oc1ccccc1/C=[NH+]/CCCO[C@@H]1CCCc2ccccc21 ZINC000733750218 1050151546 /nfs/dbraw/zinc/15/15/46/1050151546.db2.gz PZIHUOJIDDRVPR-LNKKFFRNSA-N 1 2 309.409 4.295 20 30 DIEDLO COC(=O)c1sc(Nc2cccc3cc[nH+]cc32)c(C#N)c1C ZINC001210224321 1050165243 /nfs/dbraw/zinc/16/52/43/1050165243.db2.gz XBKOYGALJZWAMW-UHFFFAOYSA-N 1 2 323.377 4.007 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1ccnc(Cl)c1F)c1ccccc1 ZINC000824027510 1050176082 /nfs/dbraw/zinc/17/60/82/1050176082.db2.gz LXAAZZXYEGRSKZ-AWEZNQCLSA-N 1 2 303.768 4.009 20 30 DIEDLO Cc1[nH+]cc(Nc2sc(Cc3ccccc3)cc2C#N)cc1N ZINC001210286229 1050189413 /nfs/dbraw/zinc/18/94/13/1050189413.db2.gz YPDGAYMNYZVIEI-UHFFFAOYSA-N 1 2 320.421 4.240 20 30 DIEDLO Clc1ccc(Cl)c(NN=Cc2cccc3[nH+]ccn32)c1 ZINC000771099842 1050218818 /nfs/dbraw/zinc/21/88/18/1050218818.db2.gz FZTYLGLCHAYCGU-UHFFFAOYSA-N 1 2 305.168 4.087 20 30 DIEDLO Cc1cc(N[C@@H]2CCc3c2cccc3C#N)[nH+]cc1C(F)(F)F ZINC001171060951 1050228522 /nfs/dbraw/zinc/22/85/22/1050228522.db2.gz NFFRFPHURJMCJS-OAHLLOKOSA-N 1 2 317.314 4.380 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cn(C)c4ccccc34)n2c1 ZINC000771860542 1050293811 /nfs/dbraw/zinc/29/38/11/1050293811.db2.gz SAPAZVQZYXJTLJ-CMDGGOBGSA-N 1 2 315.376 4.031 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3c[nH]c4cc(F)ccc43)n2c1 ZINC000771858648 1050293948 /nfs/dbraw/zinc/29/39/48/1050293948.db2.gz JWDUHWZIKKHEPC-XQRVVYSFSA-N 1 2 319.339 4.159 20 30 DIEDLO CCOc1cccc(/C=[NH+]/CC[C@@H](OC)C(CC)CC)c1O ZINC000746521101 1050306334 /nfs/dbraw/zinc/30/63/34/1050306334.db2.gz DPGWXSRGYPQJFI-CXDFQFJYSA-N 1 2 307.434 4.051 20 30 DIEDLO C[N@H+](Cc1ccccc1F)Cc1cc(Cl)ccc1OCC#N ZINC000735306069 1050368112 /nfs/dbraw/zinc/36/81/12/1050368112.db2.gz HJDYYKQCGMPTDJ-UHFFFAOYSA-N 1 2 318.779 4.013 20 30 DIEDLO C[N@@H+](Cc1ccccc1F)Cc1cc(Cl)ccc1OCC#N ZINC000735306069 1050368126 /nfs/dbraw/zinc/36/81/26/1050368126.db2.gz HJDYYKQCGMPTDJ-UHFFFAOYSA-N 1 2 318.779 4.013 20 30 DIEDLO Cc1cc(Oc2ccc(NC3=CC(=O)C[C@H](C)C3)cc2)cc[nH+]1 ZINC001210774845 1050368736 /nfs/dbraw/zinc/36/87/36/1050368736.db2.gz IKCPOTZYMRFSSH-CYBMUJFWSA-N 1 2 308.381 4.477 20 30 DIEDLO CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC001143831482 1050375844 /nfs/dbraw/zinc/37/58/44/1050375844.db2.gz PKUFTCBFNZKFDU-GFCCVEGCSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1c(Cl)ccc(C[N@H+]2CCC[C@H](CC#N)C2)c1F ZINC001143831482 1050375855 /nfs/dbraw/zinc/37/58/55/1050375855.db2.gz PKUFTCBFNZKFDU-GFCCVEGCSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1cccc(/C=[NH+]\C[C@@H]2CCCO[C@H]2C(C)(C)C)c1O ZINC000735618974 1050412026 /nfs/dbraw/zinc/41/20/26/1050412026.db2.gz HWRFNWNYSPVUIG-RETISNGPSA-N 1 2 319.445 4.051 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000735620384 1050412392 /nfs/dbraw/zinc/41/23/92/1050412392.db2.gz YUDLLQSGNMRBGD-VVJJRGHDSA-N 1 2 319.445 4.051 20 30 DIEDLO N#CC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CCCC1 ZINC000593652732 1050431966 /nfs/dbraw/zinc/43/19/66/1050431966.db2.gz IYICKFKDULLNBV-UHFFFAOYSA-N 1 2 300.299 4.018 20 30 DIEDLO COc1c(Cl)cc(Cl)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593650535 1050432334 /nfs/dbraw/zinc/43/23/34/1050432334.db2.gz TXVMYDZYHVOIEO-UHFFFAOYSA-N 1 2 313.228 4.176 20 30 DIEDLO COCc1cc[nH+]c(NC2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000593696312 1050434634 /nfs/dbraw/zinc/43/46/34/1050434634.db2.gz HSCACQYCAIJNGA-UHFFFAOYSA-N 1 2 321.424 4.044 20 30 DIEDLO CC(C)(C#N)c1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000593945152 1050453366 /nfs/dbraw/zinc/45/33/66/1050453366.db2.gz JCMMUWSECPCZBV-UHFFFAOYSA-N 1 2 320.440 4.095 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(F)nc1C ZINC000787065515 1050545265 /nfs/dbraw/zinc/54/52/65/1050545265.db2.gz QZMNBALXODLUQM-UHFFFAOYSA-N 1 2 310.825 4.432 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(F)nc1C ZINC000787065515 1050545282 /nfs/dbraw/zinc/54/52/82/1050545282.db2.gz QZMNBALXODLUQM-UHFFFAOYSA-N 1 2 310.825 4.432 20 30 DIEDLO Cc1ccc2c(Nc3cc(C#N)cc([N+](=O)[O-])c3)cccc2[nH+]1 ZINC001211333341 1050549163 /nfs/dbraw/zinc/54/91/63/1050549163.db2.gz SRBSWXKHYPTNFC-UHFFFAOYSA-N 1 2 304.309 4.067 20 30 DIEDLO CC(C)(C)C(F)(F)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000595001086 1050591328 /nfs/dbraw/zinc/59/13/28/1050591328.db2.gz QFKCFLICWIAXSI-UHFFFAOYSA-N 1 2 310.388 4.140 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc2c3c(cccc31)CC2 ZINC000740765024 1050625598 /nfs/dbraw/zinc/62/55/98/1050625598.db2.gz NUAOQSAVTGSWFV-BENRWUELSA-N 1 2 324.383 4.482 20 30 DIEDLO CC(C)COc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000740764265 1050625651 /nfs/dbraw/zinc/62/56/51/1050625651.db2.gz PPQFSOIVZVGJKC-FLIBITNWSA-N 1 2 320.392 4.265 20 30 DIEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000787997357 1050635152 /nfs/dbraw/zinc/63/51/52/1050635152.db2.gz LGOKZONNKQUVCL-UHFFFAOYSA-N 1 2 314.454 4.052 20 30 DIEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000787997357 1050635163 /nfs/dbraw/zinc/63/51/63/1050635163.db2.gz LGOKZONNKQUVCL-UHFFFAOYSA-N 1 2 314.454 4.052 20 30 DIEDLO Cc1cc(Oc2ccc(Nc3ccc(C#N)cc3N)cc2)cc[nH+]1 ZINC001213365313 1050640543 /nfs/dbraw/zinc/64/05/43/1050640543.db2.gz ICNJBQPBFJMUFX-UHFFFAOYSA-N 1 2 316.364 4.380 20 30 DIEDLO COc1ccc([C@@H]([NH2+]CC2(C#N)CCC2)c2ccccc2)cc1 ZINC000595637392 1050655915 /nfs/dbraw/zinc/65/59/15/1050655915.db2.gz UXKAHSSVWFVMRN-IBGZPJMESA-N 1 2 306.409 4.068 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000595609650 1050658529 /nfs/dbraw/zinc/65/85/29/1050658529.db2.gz NKXOSYYNRBJHTC-ZDUSSCGKSA-N 1 2 315.417 4.075 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000595609650 1050658536 /nfs/dbraw/zinc/65/85/36/1050658536.db2.gz NKXOSYYNRBJHTC-ZDUSSCGKSA-N 1 2 315.417 4.075 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000595609645 1050658710 /nfs/dbraw/zinc/65/87/10/1050658710.db2.gz NKXOSYYNRBJHTC-CYBMUJFWSA-N 1 2 315.417 4.075 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000595609645 1050658719 /nfs/dbraw/zinc/65/87/19/1050658719.db2.gz NKXOSYYNRBJHTC-CYBMUJFWSA-N 1 2 315.417 4.075 20 30 DIEDLO CC[N@H+](CC/C=C/c1ccc(Br)cc1)[C@H](C)C#N ZINC000595813404 1050667865 /nfs/dbraw/zinc/66/78/65/1050667865.db2.gz MHURDPNMWRWOCE-DIECRNLCSA-N 1 2 307.235 4.086 20 30 DIEDLO CC[N@@H+](CC/C=C/c1ccc(Br)cc1)[C@H](C)C#N ZINC000595813404 1050667874 /nfs/dbraw/zinc/66/78/74/1050667874.db2.gz MHURDPNMWRWOCE-DIECRNLCSA-N 1 2 307.235 4.086 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000595843042 1050671331 /nfs/dbraw/zinc/67/13/31/1050671331.db2.gz XRTSSTAIFFTHGJ-FQEVSTJZSA-N 1 2 306.409 4.001 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000595843042 1050671334 /nfs/dbraw/zinc/67/13/34/1050671334.db2.gz XRTSSTAIFFTHGJ-FQEVSTJZSA-N 1 2 306.409 4.001 20 30 DIEDLO Cc1c[nH+]cc(Nc2ccc(Br)c(F)c2C#N)c1C ZINC001213533962 1050681341 /nfs/dbraw/zinc/68/13/41/1050681341.db2.gz FHXFZGABYVLGQR-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO Cc1c[nH+]cc(Nc2ccc(C#N)cc2OC(F)(F)F)c1C ZINC001213530974 1050681459 /nfs/dbraw/zinc/68/14/59/1050681459.db2.gz QXAYKRXUBLVGTA-UHFFFAOYSA-N 1 2 307.275 4.212 20 30 DIEDLO CCOc1cccc(/C=[NH+]\CCc2c[nH]c3c2cccc3C)c1O ZINC000741466155 1050683276 /nfs/dbraw/zinc/68/32/76/1050683276.db2.gz GPEDDXIHNNIRHR-MTJSOVHGSA-N 1 2 322.408 4.242 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(OC(C)C)cc3)c[nH+]c12 ZINC000741472047 1050684170 /nfs/dbraw/zinc/68/41/70/1050684170.db2.gz SFAZFMGKCXDLBF-FLIBITNWSA-N 1 2 320.392 4.326 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3cn(C)c4ccccc34)c[nH+]c12 ZINC000741469026 1050685033 /nfs/dbraw/zinc/68/50/33/1050685033.db2.gz ZPXQCZJLCWVELE-KTKRTIGZSA-N 1 2 315.376 4.031 20 30 DIEDLO CCCCCCCCOCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000741530324 1050698207 /nfs/dbraw/zinc/69/82/07/1050698207.db2.gz MHQZTWGGLVFAMA-UHFFFAOYSA-N 1 2 306.450 4.322 20 30 DIEDLO N#CC[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000596325172 1050707741 /nfs/dbraw/zinc/70/77/41/1050707741.db2.gz HPWNPDSRZCYGEX-NSHDSACASA-N 1 2 303.768 4.157 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cccc(F)c1 ZINC000737444523 1050729860 /nfs/dbraw/zinc/72/98/60/1050729860.db2.gz SJDSQRBSZZKWAD-WAYWQWQTSA-N 1 2 300.720 4.023 20 30 DIEDLO Cc1cc(Oc2ccc(Nc3ccncc3C#N)cc2)cc[nH+]1 ZINC001214016656 1050799720 /nfs/dbraw/zinc/79/97/20/1050799720.db2.gz QEROPUUBOQCZSK-UHFFFAOYSA-N 1 2 302.337 4.193 20 30 DIEDLO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC000597176985 1050820236 /nfs/dbraw/zinc/82/02/36/1050820236.db2.gz LCHOHAKVFYDART-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1cc(Cl)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC000597176985 1050820252 /nfs/dbraw/zinc/82/02/52/1050820252.db2.gz LCHOHAKVFYDART-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597229624 1050825906 /nfs/dbraw/zinc/82/59/06/1050825906.db2.gz NOTUWPLVGQXWBE-HXUWFJFHSA-N 1 2 306.409 4.098 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597229624 1050825918 /nfs/dbraw/zinc/82/59/18/1050825918.db2.gz NOTUWPLVGQXWBE-HXUWFJFHSA-N 1 2 306.409 4.098 20 30 DIEDLO C=CCC1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CCC1 ZINC000790492075 1050962691 /nfs/dbraw/zinc/96/26/91/1050962691.db2.gz RSRCAOGSMUHSCU-UHFFFAOYSA-N 1 2 309.413 4.378 20 30 DIEDLO C=CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000790500259 1050964608 /nfs/dbraw/zinc/96/46/08/1050964608.db2.gz ORVDXKJNMZPXFC-WCXIOVBPSA-N 1 2 302.462 4.313 20 30 DIEDLO CCc1cnc(CC/[NH+]=C\c2c(O)ccc3ccccc32)s1 ZINC000743043864 1050978262 /nfs/dbraw/zinc/97/82/62/1050978262.db2.gz BLGHPEHXCRUCHB-UNOMPAQXSA-N 1 2 310.422 4.226 20 30 DIEDLO N#CC1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCCC1 ZINC001170361894 1051190809 /nfs/dbraw/zinc/19/08/09/1051190809.db2.gz JBDCGCQPBHYLFN-UHFFFAOYSA-N 1 2 307.441 4.207 20 30 DIEDLO Cc1cc(C#N)cc(C)c1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001215646775 1051283940 /nfs/dbraw/zinc/28/39/40/1051283940.db2.gz FNQCXHUCJBFDLH-UHFFFAOYSA-N 1 2 302.381 4.164 20 30 DIEDLO C#CCOc1ccccc1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000746195675 1051333614 /nfs/dbraw/zinc/33/36/14/1051333614.db2.gz HAHSMHRHSNEUGD-UHFFFAOYSA-N 1 2 320.219 4.295 20 30 DIEDLO COc1ccc(CNc2cc[nH+]c3c(Cl)cccc23)cc1C#N ZINC000804564223 1051462163 /nfs/dbraw/zinc/46/21/63/1051462163.db2.gz PPIAEDNUDIBDLG-UHFFFAOYSA-N 1 2 323.783 4.381 20 30 DIEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001172579189 1051463106 /nfs/dbraw/zinc/46/31/06/1051463106.db2.gz WJNKOLLZNKNARB-MEDUHNTESA-N 1 2 312.791 4.175 20 30 DIEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@](C)(C#N)C1 ZINC001172579189 1051463112 /nfs/dbraw/zinc/46/31/12/1051463112.db2.gz WJNKOLLZNKNARB-MEDUHNTESA-N 1 2 312.791 4.175 20 30 DIEDLO C=CCC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC001168957498 1051479157 /nfs/dbraw/zinc/47/91/57/1051479157.db2.gz DJKFYVAHXBMTRQ-UHFFFAOYSA-N 1 2 300.627 4.037 20 30 DIEDLO C=CCC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC001168957498 1051479163 /nfs/dbraw/zinc/47/91/63/1051479163.db2.gz DJKFYVAHXBMTRQ-UHFFFAOYSA-N 1 2 300.627 4.037 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901742 1051551850 /nfs/dbraw/zinc/55/18/50/1051551850.db2.gz KBIBDTMGHNAXTB-INIZCTEOSA-N 1 2 314.360 4.129 20 30 DIEDLO N#Cc1c2c(sc1Nc1ccc(Cn3cc[nH+]c3)cc1)CCC2 ZINC001212693130 1051572964 /nfs/dbraw/zinc/57/29/64/1051572964.db2.gz DYSJFPZVHUZXGH-UHFFFAOYSA-N 1 2 320.421 4.097 20 30 DIEDLO N#Cc1ccc(Cl)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697803 1051587453 /nfs/dbraw/zinc/58/74/53/1051587453.db2.gz UOENQVONNNRWPW-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3/C(=O)c4cccc(C)c4[C@H]3C)n2c1 ZINC000766697033 1051613253 /nfs/dbraw/zinc/61/32/53/1051613253.db2.gz ZNCMWXJHABNFER-VEJKBTLKSA-N 1 2 302.377 4.335 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1scnc1Cl)c1ccc(F)c(F)c1 ZINC001169472861 1051627207 /nfs/dbraw/zinc/62/72/07/1051627207.db2.gz LIVCTCSLIINNSR-CYBMUJFWSA-N 1 2 314.788 4.482 20 30 DIEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173202860 1051630879 /nfs/dbraw/zinc/63/08/79/1051630879.db2.gz YAYWIEOVZNPWLL-KVZIAJEVSA-N 1 2 300.446 4.295 20 30 DIEDLO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1cc(Cl)ccc1Cl ZINC001169519009 1051633218 /nfs/dbraw/zinc/63/32/18/1051633218.db2.gz JPFHAQYMAQAUPT-JTQLQIEISA-N 1 2 306.196 4.111 20 30 DIEDLO CCCCCCCC[C@H](C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804336445 1051684772 /nfs/dbraw/zinc/68/47/72/1051684772.db2.gz MXUGHIHXZRORRT-IRXDYDNUSA-N 1 2 319.493 4.091 20 30 DIEDLO O=C1C=C2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)CC[C@H]2S1 ZINC001173346802 1051706021 /nfs/dbraw/zinc/70/60/21/1051706021.db2.gz RNYKUJDPHBSNKW-HZPDHXFCSA-N 1 2 305.487 4.154 20 30 DIEDLO O=C1C=C2C[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)CC[C@H]2S1 ZINC001173346802 1051706033 /nfs/dbraw/zinc/70/60/33/1051706033.db2.gz RNYKUJDPHBSNKW-HZPDHXFCSA-N 1 2 305.487 4.154 20 30 DIEDLO O=C1C=C2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)CC[C@@H]2S1 ZINC001173346800 1051706963 /nfs/dbraw/zinc/70/69/63/1051706963.db2.gz RNYKUJDPHBSNKW-CVEARBPZSA-N 1 2 305.487 4.154 20 30 DIEDLO O=C1C=C2C[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)CC[C@@H]2S1 ZINC001173346800 1051706977 /nfs/dbraw/zinc/70/69/77/1051706977.db2.gz RNYKUJDPHBSNKW-CVEARBPZSA-N 1 2 305.487 4.154 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccccc1 ZINC000766853270 1051709156 /nfs/dbraw/zinc/70/91/56/1051709156.db2.gz QTANVYPTWPKUGI-CQSZACIVSA-N 1 2 305.208 4.243 20 30 DIEDLO CCCCCCCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000761653304 1052000297 /nfs/dbraw/zinc/00/02/97/1052000297.db2.gz LEDJLYUZODPEJL-UHFFFAOYSA-N 1 2 324.428 4.494 20 30 DIEDLO CC(=[NH+]Nc1cccc2ncccc21)c1ccccc1N(C)C ZINC000769569863 1052082902 /nfs/dbraw/zinc/08/29/02/1052082902.db2.gz KAAPXILIXIKASP-UHFFFAOYSA-N 1 2 304.397 4.137 20 30 DIEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000769607366 1052086589 /nfs/dbraw/zinc/08/65/89/1052086589.db2.gz JGUNRXLLXQMFOR-KTKRTIGZSA-N 1 2 301.349 4.020 20 30 DIEDLO N#Cc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)ccc1Cl ZINC001174402228 1052124127 /nfs/dbraw/zinc/12/41/27/1052124127.db2.gz AMZJPTPGTUYKGQ-UHFFFAOYSA-N 1 2 303.152 4.256 20 30 DIEDLO N#Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1Cl ZINC001174403069 1052125628 /nfs/dbraw/zinc/12/56/28/1052125628.db2.gz BCKNHNFGEBZTNQ-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3ccc(Cl)nc3C#N)ccc21 ZINC001174380660 1052138953 /nfs/dbraw/zinc/13/89/53/1052138953.db2.gz IHIPHBHGDLZMHD-UHFFFAOYSA-N 1 2 311.776 4.281 20 30 DIEDLO COc1cccc(/C=[NH+]\CCc2cccc3ccccc32)c1O ZINC000915113181 1052351069 /nfs/dbraw/zinc/35/10/69/1052351069.db2.gz QDTIRQRSUGFHDQ-STZFKDTASA-N 1 2 305.377 4.216 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4ccc(Cl)cc4C3=O)n2c1 ZINC000762447311 1052384460 /nfs/dbraw/zinc/38/44/60/1052384460.db2.gz OPUMCEUGIJJGHG-QPEQYQDCSA-N 1 2 308.768 4.119 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4ccc(Cl)cc4C3=O)n2c1 ZINC000762447308 1052384594 /nfs/dbraw/zinc/38/45/94/1052384594.db2.gz OPUMCEUGIJJGHG-NTUHNPAUSA-N 1 2 308.768 4.119 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000236909545 1052433364 /nfs/dbraw/zinc/43/33/64/1052433364.db2.gz GQQAPORTFWEHCM-LBPRGKRZSA-N 1 2 311.410 4.338 20 30 DIEDLO N#CC1(c2cc[nH+]c(NCc3ccc(F)c(Cl)c3F)c2)CC1 ZINC001168505536 1052536518 /nfs/dbraw/zinc/53/65/18/1052536518.db2.gz JVHBJWIHFCJWGY-UHFFFAOYSA-N 1 2 319.742 4.180 20 30 DIEDLO O=C1c2cccc3c2[C@@H](CCC3)/C1=C/c1c[nH+]c2ccccn12 ZINC000763290382 1052557890 /nfs/dbraw/zinc/55/78/90/1052557890.db2.gz QNTFAQZGSAUBES-ZCQLHAAUSA-N 1 2 300.361 4.034 20 30 DIEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccccc2Cl)cc1 ZINC000916262959 1052599781 /nfs/dbraw/zinc/59/97/81/1052599781.db2.gz ZINWOJWIERQFHS-UHFFFAOYSA-N 1 2 312.804 4.136 20 30 DIEDLO CC(=NNc1cc(C)cc(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916346427 1052604515 /nfs/dbraw/zinc/60/45/15/1052604515.db2.gz AMDWZQNBLRELPG-UHFFFAOYSA-N 1 2 304.397 4.325 20 30 DIEDLO C=C(Br)C[N@@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000919647992 1052880239 /nfs/dbraw/zinc/88/02/39/1052880239.db2.gz YEVDZABZLNHHQO-UHFFFAOYSA-N 1 2 320.230 4.189 20 30 DIEDLO C=C(Br)C[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000919647992 1052880241 /nfs/dbraw/zinc/88/02/41/1052880241.db2.gz YEVDZABZLNHHQO-UHFFFAOYSA-N 1 2 320.230 4.189 20 30 DIEDLO COc1ccc(CC/[NH+]=C\c2c(O)ccc3ccccc32)cc1 ZINC000920942988 1052956200 /nfs/dbraw/zinc/95/62/00/1052956200.db2.gz WPOMATPJSSBRGD-STZFKDTASA-N 1 2 305.377 4.216 20 30 DIEDLO CC(C)[NH+]1CC(Oc2ccccc2/C=C/C(=O)c2ccccc2)C1 ZINC001228544182 1053130875 /nfs/dbraw/zinc/13/08/75/1053130875.db2.gz MSIMEYHXKGPJRB-OUKQBFOZSA-N 1 2 321.420 4.054 20 30 DIEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001317947784 1053141388 /nfs/dbraw/zinc/14/13/88/1053141388.db2.gz UCNQEYUSYURELJ-CYBMUJFWSA-N 1 2 300.627 4.386 20 30 DIEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001317947784 1053141394 /nfs/dbraw/zinc/14/13/94/1053141394.db2.gz UCNQEYUSYURELJ-CYBMUJFWSA-N 1 2 300.627 4.386 20 30 DIEDLO CN(C)c1cc(CSCc2ccc(C#N)cc2Cl)cc[nH+]1 ZINC001321645119 1053426646 /nfs/dbraw/zinc/42/66/46/1053426646.db2.gz IBLKQKSPXMSTHB-UHFFFAOYSA-N 1 2 317.845 4.106 20 30 DIEDLO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC001229954444 1053438595 /nfs/dbraw/zinc/43/85/95/1053438595.db2.gz OXYMMRJFRHXTFY-HKUYNNGSSA-N 1 2 312.413 4.153 20 30 DIEDLO N#Cc1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)cc1Cl ZINC000619748555 1053554598 /nfs/dbraw/zinc/55/45/98/1053554598.db2.gz IJZJVLGCALJFPM-UHFFFAOYSA-N 1 2 323.783 4.156 20 30 DIEDLO CC(C)c1cnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000182985448 1053568828 /nfs/dbraw/zinc/56/88/28/1053568828.db2.gz NYZKLGQKBFLTQI-UHFFFAOYSA-N 1 2 311.454 4.303 20 30 DIEDLO CC(C)c1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000182985448 1053568839 /nfs/dbraw/zinc/56/88/39/1053568839.db2.gz NYZKLGQKBFLTQI-UHFFFAOYSA-N 1 2 311.454 4.303 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc2ccccc2c1 ZINC001323545712 1053588052 /nfs/dbraw/zinc/58/80/52/1053588052.db2.gz PQWWIDFNWVYWKB-QXMHVHEDSA-N 1 2 302.377 4.197 20 30 DIEDLO C=CCOc1ccccc1C[NH2+]Cc1c(Cl)cncc1Cl ZINC001200545308 1053748629 /nfs/dbraw/zinc/74/86/29/1053748629.db2.gz WGJKDXNQUKKIKI-UHFFFAOYSA-N 1 2 323.223 4.243 20 30 DIEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]Nc2ccccc2Cl)C1 ZINC001326227583 1053765596 /nfs/dbraw/zinc/76/55/96/1053765596.db2.gz MBZPULDNDYJABP-UHFFFAOYSA-N 1 2 320.849 4.167 20 30 DIEDLO C=CCO[C@H]1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC001330589811 1054043050 /nfs/dbraw/zinc/04/30/50/1054043050.db2.gz IGXQQUHZOLOKQK-AWEZNQCLSA-N 1 2 322.330 4.035 20 30 DIEDLO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232442245 1054044147 /nfs/dbraw/zinc/04/41/47/1054044147.db2.gz XOHNYBPQUJLWAQ-SNVBAGLBSA-N 1 2 319.220 4.022 20 30 DIEDLO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232442245 1054044154 /nfs/dbraw/zinc/04/41/54/1054044154.db2.gz XOHNYBPQUJLWAQ-SNVBAGLBSA-N 1 2 319.220 4.022 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC001232679970 1054098594 /nfs/dbraw/zinc/09/85/94/1054098594.db2.gz WCVIZOCFOOUBOK-QGZVFWFLSA-N 1 2 312.800 4.254 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC001232679970 1054098602 /nfs/dbraw/zinc/09/86/02/1054098602.db2.gz WCVIZOCFOOUBOK-QGZVFWFLSA-N 1 2 312.800 4.254 20 30 DIEDLO N#Cc1ccc(O)c(C[NH+]2CCC(Sc3ccccc3)CC2)c1 ZINC001232677561 1054100149 /nfs/dbraw/zinc/10/01/49/1054100149.db2.gz GDWBHLHLRRUVNA-UHFFFAOYSA-N 1 2 324.449 4.021 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)s1 ZINC001232842106 1054130426 /nfs/dbraw/zinc/13/04/26/1054130426.db2.gz IEBMTWFKPXZHKE-UHFFFAOYSA-N 1 2 319.433 4.217 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)s1 ZINC001232842106 1054130438 /nfs/dbraw/zinc/13/04/38/1054130438.db2.gz IEBMTWFKPXZHKE-UHFFFAOYSA-N 1 2 319.433 4.217 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2)Cc2ccccn2)s1 ZINC001232841870 1054131003 /nfs/dbraw/zinc/13/10/03/1054131003.db2.gz CLCBSFJLTFQLPF-UHFFFAOYSA-N 1 2 319.433 4.217 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccccn2)s1 ZINC001232841870 1054131011 /nfs/dbraw/zinc/13/10/11/1054131011.db2.gz CLCBSFJLTFQLPF-UHFFFAOYSA-N 1 2 319.433 4.217 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1Cl ZINC001232875242 1054136268 /nfs/dbraw/zinc/13/62/68/1054136268.db2.gz BZDQXIUZMCVILR-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1Cl ZINC001232875242 1054136275 /nfs/dbraw/zinc/13/62/75/1054136275.db2.gz BZDQXIUZMCVILR-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO Cc1cc(NCc2ccc(C(C)(C)C#N)cc2)ccc1[NH+](C)C ZINC000848543442 1054137437 /nfs/dbraw/zinc/13/74/37/1054137437.db2.gz UUDHVODEJOGDKO-UHFFFAOYSA-N 1 2 307.441 4.474 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1c(C)noc1CC)c1ccc(F)c(F)c1 ZINC001333358700 1054151068 /nfs/dbraw/zinc/15/10/68/1054151068.db2.gz CLATTZWYFUISIS-KRWDZBQOSA-N 1 2 306.356 4.231 20 30 DIEDLO CCc1nc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C#N)c2)cs1 ZINC001333329969 1054152276 /nfs/dbraw/zinc/15/22/76/1054152276.db2.gz OVVMGIJCXXESGB-SNVBAGLBSA-N 1 2 305.834 4.081 20 30 DIEDLO N#CCC[N@H+](Cc1cccc(O)c1F)C1CCCCCCC1 ZINC001233052808 1054177856 /nfs/dbraw/zinc/17/78/56/1054177856.db2.gz WXYDRGCDAFQNDH-UHFFFAOYSA-N 1 2 304.409 4.360 20 30 DIEDLO N#CCC[N@@H+](Cc1cccc(O)c1F)C1CCCCCCC1 ZINC001233052808 1054177853 /nfs/dbraw/zinc/17/78/53/1054177853.db2.gz WXYDRGCDAFQNDH-UHFFFAOYSA-N 1 2 304.409 4.360 20 30 DIEDLO Cc1ccc(C)c2nc(Cl)c(C[NH+]3CCC(C#N)CC3)cc12 ZINC001233131030 1054188298 /nfs/dbraw/zinc/18/82/98/1054188298.db2.gz BUSMYZULMAPSDA-UHFFFAOYSA-N 1 2 313.832 4.241 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001234431680 1054521654 /nfs/dbraw/zinc/52/16/54/1054521654.db2.gz UWMXLXLJUNCEGV-NSHDSACASA-N 1 2 314.763 4.067 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001234431680 1054521666 /nfs/dbraw/zinc/52/16/66/1054521666.db2.gz UWMXLXLJUNCEGV-NSHDSACASA-N 1 2 314.763 4.067 20 30 DIEDLO N#CCC[N@@H+](Cc1c[nH]c2cnc(Cl)cc12)Cc1ccccc1 ZINC001235502153 1054732868 /nfs/dbraw/zinc/73/28/68/1054732868.db2.gz FXSVXDZBDHENLE-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCC[N@H+](Cc1c[nH]c2cnc(Cl)cc12)Cc1ccccc1 ZINC001235502153 1054732881 /nfs/dbraw/zinc/73/28/81/1054732881.db2.gz FXSVXDZBDHENLE-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCC[N@@H+](Cc1ccc(Cl)nc1N)C1CCCCCCC1 ZINC001235664290 1054763861 /nfs/dbraw/zinc/76/38/61/1054763861.db2.gz QGCPJHAFWDFTFU-UHFFFAOYSA-N 1 2 320.868 4.146 20 30 DIEDLO N#CCC[N@H+](Cc1ccc(Cl)nc1N)C1CCCCCCC1 ZINC001235664290 1054763876 /nfs/dbraw/zinc/76/38/76/1054763876.db2.gz QGCPJHAFWDFTFU-UHFFFAOYSA-N 1 2 320.868 4.146 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)ccn1 ZINC001237470646 1055459232 /nfs/dbraw/zinc/45/92/32/1055459232.db2.gz UGZHHZRHCPJIND-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)ccn1 ZINC001237470646 1055459239 /nfs/dbraw/zinc/45/92/39/1055459239.db2.gz UGZHHZRHCPJIND-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(Cl)c(F)c3)n21 ZINC000765614003 1055517940 /nfs/dbraw/zinc/51/79/40/1055517940.db2.gz ZFWNIWJHAAIPGG-SOFGYWHQSA-N 1 2 314.747 4.331 20 30 DIEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001237756629 1055524744 /nfs/dbraw/zinc/52/47/44/1055524744.db2.gz LSQFVKABOQGJPV-SFHVURJKSA-N 1 2 311.816 4.334 20 30 DIEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001237756629 1055524757 /nfs/dbraw/zinc/52/47/57/1055524757.db2.gz LSQFVKABOQGJPV-SFHVURJKSA-N 1 2 311.816 4.334 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC001238086868 1055604145 /nfs/dbraw/zinc/60/41/45/1055604145.db2.gz PJUWORIXRZYQPR-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC001238086868 1055604152 /nfs/dbraw/zinc/60/41/52/1055604152.db2.gz PJUWORIXRZYQPR-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1F)C1CC(F)(F)C1 ZINC001238246520 1055629527 /nfs/dbraw/zinc/62/95/27/1055629527.db2.gz IIHYILOAKLWSTO-UHFFFAOYSA-N 1 2 315.232 4.213 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1F)C1CC(F)(F)C1 ZINC001238246520 1055629534 /nfs/dbraw/zinc/62/95/34/1055629534.db2.gz IIHYILOAKLWSTO-UHFFFAOYSA-N 1 2 315.232 4.213 20 30 DIEDLO CC(C)Oc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(F)c1 ZINC001238445150 1055659666 /nfs/dbraw/zinc/65/96/66/1055659666.db2.gz RJRDVWQYHSQEMS-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(F)c1 ZINC001238445150 1055659671 /nfs/dbraw/zinc/65/96/71/1055659671.db2.gz RJRDVWQYHSQEMS-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c(Cl)n1 ZINC001238724210 1055734171 /nfs/dbraw/zinc/73/41/71/1055734171.db2.gz HHHXHRREWDBFKN-UHFFFAOYSA-N 1 2 313.832 4.362 20 30 DIEDLO CC(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(Cl)n1 ZINC001238724210 1055734182 /nfs/dbraw/zinc/73/41/82/1055734182.db2.gz HHHXHRREWDBFKN-UHFFFAOYSA-N 1 2 313.832 4.362 20 30 DIEDLO C=CCC[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001596909539 1055758267 /nfs/dbraw/zinc/75/82/67/1055758267.db2.gz BUFOHPOXMJFHQJ-MRXNPFEDSA-N 1 2 305.381 4.000 20 30 DIEDLO Cc1cn2cc(-c3ccc(C(F)(F)F)cc3C#N)ccc2[nH+]1 ZINC001238841549 1055761978 /nfs/dbraw/zinc/76/19/78/1055761978.db2.gz CDLPNCCHOASTOU-UHFFFAOYSA-N 1 2 301.271 4.200 20 30 DIEDLO Cc1cc2[nH+]ccn2cc1-c1ccc(C(F)(F)F)cc1C#N ZINC001238841939 1055763496 /nfs/dbraw/zinc/76/34/96/1055763496.db2.gz GEFNTJZZOSMWTR-UHFFFAOYSA-N 1 2 301.271 4.200 20 30 DIEDLO CCCCCCCCCCOC(=O)NCc1ccc(N)[nH+]c1 ZINC001239321778 1055869906 /nfs/dbraw/zinc/86/99/06/1055869906.db2.gz CJPAZMIEEYJFDD-UHFFFAOYSA-N 1 2 307.438 4.031 20 30 DIEDLO C=CCC1(CNc2nc(C)[nH+]c(C)c2Br)CCCC1 ZINC001612378008 1056279284 /nfs/dbraw/zinc/27/92/84/1056279284.db2.gz ACPWVKAWXUUMRS-UHFFFAOYSA-N 1 2 324.266 4.404 20 30 DIEDLO C#CCCCCCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC001615476558 1056516268 /nfs/dbraw/zinc/51/62/68/1056516268.db2.gz AXDZVHFPSSLJCG-SFHVURJKSA-N 1 2 305.849 4.297 20 30 DIEDLO C#CCCCCCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC001615476558 1056516275 /nfs/dbraw/zinc/51/62/75/1056516275.db2.gz AXDZVHFPSSLJCG-SFHVURJKSA-N 1 2 305.849 4.297 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(N3CCCC3)cc2)cc1C#N ZINC001240591705 1056600130 /nfs/dbraw/zinc/60/01/30/1056600130.db2.gz YFCUUNMWVIQEEF-PXLXIMEGSA-N 1 2 318.424 4.047 20 30 DIEDLO CCCCCCCCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC001586630164 1056770405 /nfs/dbraw/zinc/77/04/05/1056770405.db2.gz HBBAHBSOHRIEIT-UHFFFAOYSA-N 1 2 303.450 4.289 20 30 DIEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC001617603664 1056856063 /nfs/dbraw/zinc/85/60/63/1056856063.db2.gz BOWWBXZRMCQQOQ-JTQLQIEISA-N 1 2 309.196 4.102 20 30 DIEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC001617603664 1056856067 /nfs/dbraw/zinc/85/60/67/1056856067.db2.gz BOWWBXZRMCQQOQ-JTQLQIEISA-N 1 2 309.196 4.102 20 30 DIEDLO CCOc1cc(C)c(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(C)c1 ZINC001241200835 1056956224 /nfs/dbraw/zinc/95/62/24/1056956224.db2.gz AHVUUNPKCNVJIX-LPYMAVHISA-N 1 2 321.424 4.462 20 30 DIEDLO Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(C#N)o2)s1 ZINC000092536783 1057028018 /nfs/dbraw/zinc/02/80/18/1057028018.db2.gz TYAZACHSTNIGLU-UHFFFAOYSA-N 1 2 312.394 4.317 20 30 DIEDLO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(C#N)o2)s1 ZINC000092536783 1057028022 /nfs/dbraw/zinc/02/80/22/1057028022.db2.gz TYAZACHSTNIGLU-UHFFFAOYSA-N 1 2 312.394 4.317 20 30 DIEDLO C[C@H]([NH2+]Cc1cocn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000428871729 1057029383 /nfs/dbraw/zinc/02/93/83/1057029383.db2.gz JXLALGVPKQRIGT-AWEZNQCLSA-N 1 2 303.365 4.064 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cc(F)c(Cl)cc1Cl ZINC000174237810 1057354442 /nfs/dbraw/zinc/35/44/42/1057354442.db2.gz IUXJQJKHWRANAT-MRVPVSSYSA-N 1 2 313.159 4.448 20 30 DIEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1cccc(Cl)c1Cl ZINC001168758412 1057384993 /nfs/dbraw/zinc/38/49/93/1057384993.db2.gz RJPMUYFFXSNETD-JTQLQIEISA-N 1 2 306.196 4.111 20 30 DIEDLO COc1ccc(COc2cc(C#N)cc(/C(C)=C/C=C/[NH3+])c2)cc1 ZINC001242770566 1057469461 /nfs/dbraw/zinc/46/94/61/1057469461.db2.gz BFIMLFRWYMTNLA-MMDXLWBZSA-N 1 2 320.392 4.022 20 30 DIEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1nc(C)sc1C ZINC000676488776 1057479679 /nfs/dbraw/zinc/47/96/79/1057479679.db2.gz FAFXBBCKRVZIGC-GFCCVEGCSA-N 1 2 302.443 4.176 20 30 DIEDLO COCC[N@H+](CCC#N)Cc1cccc(-c2ccccc2C)c1 ZINC000611268755 1057587403 /nfs/dbraw/zinc/58/74/03/1057587403.db2.gz QKIHQHVRPKVOSN-UHFFFAOYSA-N 1 2 308.425 4.024 20 30 DIEDLO COCC[N@@H+](CCC#N)Cc1cccc(-c2ccccc2C)c1 ZINC000611268755 1057587406 /nfs/dbraw/zinc/58/74/06/1057587406.db2.gz QKIHQHVRPKVOSN-UHFFFAOYSA-N 1 2 308.425 4.024 20 30 DIEDLO C[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1cccc(C#N)c1 ZINC000611389124 1057594566 /nfs/dbraw/zinc/59/45/66/1057594566.db2.gz XHMZJNHGKZPLFY-LBPRGKRZSA-N 1 2 309.394 4.126 20 30 DIEDLO C[C@@H]([NH2+][C@H](CCc1ccccc1)C(F)F)c1cccc(C#N)c1 ZINC000611524511 1057605388 /nfs/dbraw/zinc/60/53/88/1057605388.db2.gz MVKVFYDLHUXZRP-RDTXWAMCSA-N 1 2 314.379 4.475 20 30 DIEDLO CCOc1cc(C)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001243407838 1057673376 /nfs/dbraw/zinc/67/33/76/1057673376.db2.gz QOMDGTTYBZPRHH-FYJGNVAPSA-N 1 2 307.397 4.154 20 30 DIEDLO N#CCc1cc2ccccc2nc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243656574 1057745339 /nfs/dbraw/zinc/74/53/39/1057745339.db2.gz NCYDKIMLNAUYPM-UHFFFAOYSA-N 1 2 324.387 4.213 20 30 DIEDLO N#Cc1ccc2ccnc(-c3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC001243656758 1057745426 /nfs/dbraw/zinc/74/54/26/1057745426.db2.gz MMUQEUPAUFFPTB-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO N#Cc1c2ccccc2cnc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243658397 1057746493 /nfs/dbraw/zinc/74/64/93/1057746493.db2.gz XHELABLISRXLGC-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000732986458 1057796087 /nfs/dbraw/zinc/79/60/87/1057796087.db2.gz LYRDFTCBIFQXJN-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000732986458 1057796092 /nfs/dbraw/zinc/79/60/92/1057796092.db2.gz LYRDFTCBIFQXJN-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO C[NH+](C)Cc1c(F)cc(-c2cccc(C3(C#N)CC3)c2)cc1F ZINC001244074405 1057859037 /nfs/dbraw/zinc/85/90/37/1057859037.db2.gz CAKOSKRLTARYCR-UHFFFAOYSA-N 1 2 312.363 4.249 20 30 DIEDLO CCOc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1C ZINC001244442045 1057959114 /nfs/dbraw/zinc/95/91/14/1057959114.db2.gz MCRGFMUZDWUJEP-FYJGNVAPSA-N 1 2 307.397 4.154 20 30 DIEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1cccc(Cl)c1C#N ZINC001244735393 1058036646 /nfs/dbraw/zinc/03/66/46/1058036646.db2.gz NUAIHLPYPHBQNN-UHFFFAOYSA-N 1 2 309.756 4.073 20 30 DIEDLO C=CCCCCCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC001559185826 1059070347 /nfs/dbraw/zinc/07/03/47/1059070347.db2.gz HGZVROSZDYZPBJ-UHFFFAOYSA-N 1 2 301.438 4.130 20 30 DIEDLO C=CCCC[C@@H](C(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC001524628236 1059557398 /nfs/dbraw/zinc/55/73/98/1059557398.db2.gz FHTMUEZGUKCOHI-GOSISDBHSA-N 1 2 319.408 4.413 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2sc(Cl)cc2C1 ZINC001559942231 1059757124 /nfs/dbraw/zinc/75/71/24/1059757124.db2.gz PDPQRJDNGKFHDW-NSHDSACASA-N 1 2 302.830 4.392 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2sc(Cl)cc2C1 ZINC001559942231 1059757140 /nfs/dbraw/zinc/75/71/40/1059757140.db2.gz PDPQRJDNGKFHDW-NSHDSACASA-N 1 2 302.830 4.392 20 30 DIEDLO C#CC[N@@H+](Cc1cnc(Cl)s1)[C@@H]1CCCc2ccccc21 ZINC001560171674 1059968741 /nfs/dbraw/zinc/96/87/41/1059968741.db2.gz BPHITUGBOHKDQL-MRXNPFEDSA-N 1 2 316.857 4.309 20 30 DIEDLO C#CC[N@H+](Cc1cnc(Cl)s1)[C@@H]1CCCc2ccccc21 ZINC001560171674 1059968764 /nfs/dbraw/zinc/96/87/64/1059968764.db2.gz BPHITUGBOHKDQL-MRXNPFEDSA-N 1 2 316.857 4.309 20 30 DIEDLO C=CC[C@H]1CC[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC001560207390 1059984691 /nfs/dbraw/zinc/98/46/91/1059984691.db2.gz MIJJRBTXKZOBTD-NSHDSACASA-N 1 2 300.627 4.253 20 30 DIEDLO C=CC[C@H]1CC[N@@H+]1Cc1ccc(Br)c(Cl)c1 ZINC001560207390 1059984706 /nfs/dbraw/zinc/98/47/06/1059984706.db2.gz MIJJRBTXKZOBTD-NSHDSACASA-N 1 2 300.627 4.253 20 30 DIEDLO C=CC[C@H]1CC[N@H+]1Cc1cccc(Br)c1Cl ZINC001560205770 1059984820 /nfs/dbraw/zinc/98/48/20/1059984820.db2.gz HHLNLOZZSYHAGY-NSHDSACASA-N 1 2 300.627 4.253 20 30 DIEDLO C=CC[C@H]1CC[N@@H+]1Cc1cccc(Br)c1Cl ZINC001560205770 1059984843 /nfs/dbraw/zinc/98/48/43/1059984843.db2.gz HHLNLOZZSYHAGY-NSHDSACASA-N 1 2 300.627 4.253 20 30 DIEDLO N#Cc1ccc2cc(C[N@@H+]3CCc4cccc(Cl)c4C3)[nH]c2c1 ZINC001249430167 1060248189 /nfs/dbraw/zinc/24/81/89/1060248189.db2.gz GMNWBEFDUANNQC-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO N#Cc1ccc2cc(C[N@H+]3CCc4cccc(Cl)c4C3)[nH]c2c1 ZINC001249430167 1060248206 /nfs/dbraw/zinc/24/82/06/1060248206.db2.gz GMNWBEFDUANNQC-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@H+]2C[C@@H](C)CCC#N ZINC001560895656 1060759398 /nfs/dbraw/zinc/75/93/98/1060759398.db2.gz VZKCIEBMYUSQGB-RDJZCZTQSA-N 1 2 300.446 4.270 20 30 DIEDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@@H+]2C[C@@H](C)CCC#N ZINC001560895656 1060759414 /nfs/dbraw/zinc/75/94/14/1060759414.db2.gz VZKCIEBMYUSQGB-RDJZCZTQSA-N 1 2 300.446 4.270 20 30 DIEDLO CC(C)Oc1c(F)cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001250293636 1060761299 /nfs/dbraw/zinc/76/12/99/1060761299.db2.gz ZPWXZSBZDVSRMQ-CYBMUJFWSA-N 1 2 324.827 4.392 20 30 DIEDLO CC(C)Oc1c(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001250293636 1060761309 /nfs/dbraw/zinc/76/13/09/1060761309.db2.gz ZPWXZSBZDVSRMQ-CYBMUJFWSA-N 1 2 324.827 4.392 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCC[C@H](CC)CC1)C(=O)OCC ZINC001560967632 1060833260 /nfs/dbraw/zinc/83/32/60/1060833260.db2.gz MZPFUABTUISFKQ-ZNMIVQPWSA-N 1 2 301.858 4.009 20 30 DIEDLO Cc1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1C#N ZINC001561002269 1060863406 /nfs/dbraw/zinc/86/34/06/1060863406.db2.gz BJBJZOLEEXRWIS-SFHVURJKSA-N 1 2 314.379 4.223 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)c1ccc(F)cc1 ZINC001462273902 1061069346 /nfs/dbraw/zinc/06/93/46/1061069346.db2.gz BOURWNSKIIKONK-OAHLLOKOSA-N 1 2 323.198 4.179 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OCC ZINC001462506840 1061216113 /nfs/dbraw/zinc/21/61/13/1061216113.db2.gz QZYMHTFPDDFNQW-JJXSEGSLSA-N 1 2 313.869 4.009 20 30 DIEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001473771034 1061400221 /nfs/dbraw/zinc/40/02/21/1061400221.db2.gz RZAFHZNLABDDRN-LBPRGKRZSA-N 1 2 314.791 4.470 20 30 DIEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001473771034 1061400228 /nfs/dbraw/zinc/40/02/28/1061400228.db2.gz RZAFHZNLABDDRN-LBPRGKRZSA-N 1 2 314.791 4.470 20 30 DIEDLO C=CCCCCC[N@H+]1CCC[C@@H]1c1ncc(Br)cn1 ZINC001473816429 1061422766 /nfs/dbraw/zinc/42/27/66/1061422766.db2.gz BELVIQOEUPRTHV-CQSZACIVSA-N 1 2 324.266 4.122 20 30 DIEDLO C=CCCCCC[N@@H+]1CCC[C@@H]1c1ncc(Br)cn1 ZINC001473816429 1061422776 /nfs/dbraw/zinc/42/27/76/1061422776.db2.gz BELVIQOEUPRTHV-CQSZACIVSA-N 1 2 324.266 4.122 20 30 DIEDLO N#Cc1cc(Cl)cc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)c1 ZINC001251651667 1061431957 /nfs/dbraw/zinc/43/19/57/1061431957.db2.gz GICJOCJXNGZJHT-UHFFFAOYSA-N 1 2 322.799 4.355 20 30 DIEDLO Cc1ccnc(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)c1C#N ZINC001458286720 1061678990 /nfs/dbraw/zinc/67/89/90/1061678990.db2.gz UJDXSSWFIJHZEV-HNNXBMFYSA-N 1 2 321.428 4.088 20 30 DIEDLO C=CCCCCCC[C@H](O)CNc1ccccc1-n1cc[nH+]c1 ZINC001253230364 1061833819 /nfs/dbraw/zinc/83/38/19/1061833819.db2.gz XYVRFAMPFIJEBC-KRWDZBQOSA-N 1 2 313.445 4.172 20 30 DIEDLO C=CCCCCCC[C@@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001253244835 1061843925 /nfs/dbraw/zinc/84/39/25/1061843925.db2.gz SPAJSZASAHLJOE-GOSISDBHSA-N 1 2 313.445 4.376 20 30 DIEDLO Cc1cc(NC(C)(C)Cc2ccc(C#N)cc2)nc(C2CCC2)[nH+]1 ZINC001458615369 1061853654 /nfs/dbraw/zinc/85/36/54/1061853654.db2.gz GGGTUJACVVOTBE-UHFFFAOYSA-N 1 2 320.440 4.357 20 30 DIEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345390 1062081245 /nfs/dbraw/zinc/08/12/45/1062081245.db2.gz ZZOSUQBPSGERCL-JLAWEPINSA-N 1 2 313.420 4.058 20 30 DIEDLO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCCC(F)(F)C2)CC1 ZINC001254352997 1062083463 /nfs/dbraw/zinc/08/34/63/1062083463.db2.gz MGAKFFMBYXXGCO-UHFFFAOYSA-N 1 2 322.374 4.261 20 30 DIEDLO N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCCC(F)(F)C2)CC1 ZINC001254352997 1062083482 /nfs/dbraw/zinc/08/34/82/1062083482.db2.gz MGAKFFMBYXXGCO-UHFFFAOYSA-N 1 2 322.374 4.261 20 30 DIEDLO CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001254493028 1062134179 /nfs/dbraw/zinc/13/41/79/1062134179.db2.gz IVOAYPWGVXPQBQ-ZWKOTPCHSA-N 1 2 315.482 4.062 20 30 DIEDLO CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001254493028 1062134232 /nfs/dbraw/zinc/13/42/32/1062134232.db2.gz IVOAYPWGVXPQBQ-ZWKOTPCHSA-N 1 2 315.482 4.062 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H](C#N)C3)cc2)cc1 ZINC001474703950 1062428909 /nfs/dbraw/zinc/42/89/09/1062428909.db2.gz HFQXWUVZHLKYAQ-KRWDZBQOSA-N 1 2 322.408 4.223 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H](C#N)C3)cc2)cc1 ZINC001474703950 1062428916 /nfs/dbraw/zinc/42/89/16/1062428916.db2.gz HFQXWUVZHLKYAQ-KRWDZBQOSA-N 1 2 322.408 4.223 20 30 DIEDLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@H](C#N)C1 ZINC001474704075 1062429685 /nfs/dbraw/zinc/42/96/85/1062429685.db2.gz JWRPDWMQWAJSIR-RNQWEJQRSA-N 1 2 308.347 4.344 20 30 DIEDLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CCC[C@H](C#N)C1 ZINC001474704075 1062429690 /nfs/dbraw/zinc/42/96/90/1062429690.db2.gz JWRPDWMQWAJSIR-RNQWEJQRSA-N 1 2 308.347 4.344 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1nccc(Cl)c1Cl)c1ccccc1 ZINC001459848866 1062447861 /nfs/dbraw/zinc/44/78/61/1062447861.db2.gz JQISOLKGTJSPLF-AWEZNQCLSA-N 1 2 305.208 4.243 20 30 DIEDLO C#CC(C)(C)[N@@H+](C)Cc1oc2ccccc2c1Br ZINC001459939290 1062491137 /nfs/dbraw/zinc/49/11/37/1062491137.db2.gz GRDSCRBIPVBVMX-UHFFFAOYSA-N 1 2 306.203 4.039 20 30 DIEDLO C#CC(C)(C)[N@H+](C)Cc1oc2ccccc2c1Br ZINC001459939290 1062491096 /nfs/dbraw/zinc/49/10/96/1062491096.db2.gz GRDSCRBIPVBVMX-UHFFFAOYSA-N 1 2 306.203 4.039 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2ccco2)CC1 ZINC001460378222 1062822194 /nfs/dbraw/zinc/82/21/94/1062822194.db2.gz ZMRKHDSDFHSNTM-UHFFFAOYSA-N 1 2 300.789 4.184 20 30 DIEDLO C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@H]1CCC[C@@H]1C#N ZINC001460600799 1062927566 /nfs/dbraw/zinc/92/75/66/1062927566.db2.gz GIAVPFFCZFARDL-PBHICJAKSA-N 1 2 318.848 4.253 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@H]1CCC[C@@H]1C#N ZINC001460600799 1062927580 /nfs/dbraw/zinc/92/75/80/1062927580.db2.gz GIAVPFFCZFARDL-PBHICJAKSA-N 1 2 318.848 4.253 20 30 DIEDLO COc1ccc2cc(CC[C@@H](C)[NH+]3CC(C)(C#N)C3)ccc2c1 ZINC001257275102 1063176794 /nfs/dbraw/zinc/17/67/94/1063176794.db2.gz FAYAAWOFYIRBCE-OAHLLOKOSA-N 1 2 308.425 4.015 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001473149196 1063452682 /nfs/dbraw/zinc/45/26/82/1063452682.db2.gz PTDMQLDBEMFJCI-ZDUSSCGKSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001473149196 1063452692 /nfs/dbraw/zinc/45/26/92/1063452692.db2.gz PTDMQLDBEMFJCI-ZDUSSCGKSA-N 1 2 311.816 4.332 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCSC(F)(F)F ZINC001473179813 1063486230 /nfs/dbraw/zinc/48/62/30/1063486230.db2.gz JHBVHHGCYPPFRX-KGLIPLIRSA-N 1 2 314.376 4.011 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCSC(F)(F)F ZINC001473179813 1063486235 /nfs/dbraw/zinc/48/62/35/1063486235.db2.gz JHBVHHGCYPPFRX-KGLIPLIRSA-N 1 2 314.376 4.011 20 30 DIEDLO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCCC[C@H]1C#N ZINC001258314025 1063606781 /nfs/dbraw/zinc/60/67/81/1063606781.db2.gz OSKOUUPTEALPKG-CABCVRRESA-N 1 2 306.475 4.448 20 30 DIEDLO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCCC[C@H]1C#N ZINC001258314025 1063606786 /nfs/dbraw/zinc/60/67/86/1063606786.db2.gz OSKOUUPTEALPKG-CABCVRRESA-N 1 2 306.475 4.448 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258417073 1063644559 /nfs/dbraw/zinc/64/45/59/1063644559.db2.gz RBMXSVLPWQJVRM-UHFFFAOYSA-N 1 2 302.368 4.081 20 30 DIEDLO N#CC1([NH2+]C2CCN(c3cccc(F)c3)CC2)CCCCCC1 ZINC001258411988 1063645213 /nfs/dbraw/zinc/64/52/13/1063645213.db2.gz RTMKFADXNKHBNY-UHFFFAOYSA-N 1 2 315.436 4.001 20 30 DIEDLO C=CCOc1cccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC001461700182 1063666723 /nfs/dbraw/zinc/66/67/23/1063666723.db2.gz RVPSXTIFOPZHMA-SFHVURJKSA-N 1 2 303.352 4.191 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(F)c(OC)c1)Cc1ccccc1F ZINC001461949068 1063831855 /nfs/dbraw/zinc/83/18/55/1063831855.db2.gz MKCBYKSHMVOPAA-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CC[N@H+](Cc1ccc(F)c(OC)c1)Cc1ccccc1F ZINC001461949068 1063831867 /nfs/dbraw/zinc/83/18/67/1063831867.db2.gz MKCBYKSHMVOPAA-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO N#CCc1ccc(CSCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001261425053 1063922378 /nfs/dbraw/zinc/92/23/78/1063922378.db2.gz OGRDZPWEKZNMBG-UHFFFAOYSA-N 1 2 319.433 4.372 20 30 DIEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C#CCC ZINC001307449624 1065407315 /nfs/dbraw/zinc/40/73/15/1065407315.db2.gz ONKFPCVTLSNVBB-CYBMUJFWSA-N 1 2 324.237 4.378 20 30 DIEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C#CCC ZINC001307449624 1065407321 /nfs/dbraw/zinc/40/73/21/1065407321.db2.gz ONKFPCVTLSNVBB-CYBMUJFWSA-N 1 2 324.237 4.378 20 30 DIEDLO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001307453587 1065409100 /nfs/dbraw/zinc/40/91/00/1065409100.db2.gz SLMCYVKHMUSZFM-OAHLLOKOSA-N 1 2 300.229 4.333 20 30 DIEDLO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001307453587 1065409102 /nfs/dbraw/zinc/40/91/02/1065409102.db2.gz SLMCYVKHMUSZFM-OAHLLOKOSA-N 1 2 300.229 4.333 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC001307584187 1065499203 /nfs/dbraw/zinc/49/92/03/1065499203.db2.gz VRNWOWCUWTVZPE-UHFFFAOYSA-N 1 2 312.363 4.012 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC001307584187 1065499208 /nfs/dbraw/zinc/49/92/08/1065499208.db2.gz VRNWOWCUWTVZPE-UHFFFAOYSA-N 1 2 312.363 4.012 20 30 DIEDLO CC([NH2+]Cc1ccncc1C#N)(c1ccccc1)c1ccccc1 ZINC001307628695 1065526277 /nfs/dbraw/zinc/52/62/77/1065526277.db2.gz JUSKQINIZNCOFH-UHFFFAOYSA-N 1 2 313.404 4.007 20 30 DIEDLO C#CC(C)(C)[N@H+](C)Cc1cc2cc(Cl)ccc2nc1Cl ZINC001307678630 1065560082 /nfs/dbraw/zinc/56/00/82/1065560082.db2.gz DEJOIBQYWLHEFP-UHFFFAOYSA-N 1 2 307.224 4.385 20 30 DIEDLO C#CC(C)(C)[N@@H+](C)Cc1cc2cc(Cl)ccc2nc1Cl ZINC001307678630 1065560088 /nfs/dbraw/zinc/56/00/88/1065560088.db2.gz DEJOIBQYWLHEFP-UHFFFAOYSA-N 1 2 307.224 4.385 20 30 DIEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001307825295 1065639365 /nfs/dbraw/zinc/63/93/65/1065639365.db2.gz FVGPEZYVWRRPDC-LLVKDONJSA-N 1 2 315.642 4.193 20 30 DIEDLO Clc1cccc(C#CC[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001307832109 1065644592 /nfs/dbraw/zinc/64/45/92/1065644592.db2.gz IQNGZKZAHSHCNO-UHFFFAOYSA-N 1 2 316.231 4.403 20 30 DIEDLO Clc1cccc(C#CC[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001307832109 1065644598 /nfs/dbraw/zinc/64/45/98/1065644598.db2.gz IQNGZKZAHSHCNO-UHFFFAOYSA-N 1 2 316.231 4.403 20 30 DIEDLO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1c(F)cccc1F ZINC001308094556 1065760059 /nfs/dbraw/zinc/76/00/59/1065760059.db2.gz JPGMKQGVOKQVGI-LBPRGKRZSA-N 1 2 305.755 4.321 20 30 DIEDLO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1c(F)cccc1F ZINC001308094548 1065760421 /nfs/dbraw/zinc/76/04/21/1065760421.db2.gz JJKBBGMKDCMEON-GFCCVEGCSA-N 1 2 305.755 4.321 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cn(CC)nc1C ZINC001308650048 1066136086 /nfs/dbraw/zinc/13/60/86/1066136086.db2.gz HRWKJAZHFJUGFK-UHFFFAOYSA-N 1 2 309.866 4.115 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cn(CC)nc1C ZINC001308650048 1066136090 /nfs/dbraw/zinc/13/60/90/1066136090.db2.gz HRWKJAZHFJUGFK-UHFFFAOYSA-N 1 2 309.866 4.115 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccn1C(F)F ZINC001308761241 1066235430 /nfs/dbraw/zinc/23/54/30/1066235430.db2.gz UVSNTYORFGMQGR-UHFFFAOYSA-N 1 2 322.403 4.239 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccn1C(F)F ZINC001308761241 1066235451 /nfs/dbraw/zinc/23/54/51/1066235451.db2.gz UVSNTYORFGMQGR-UHFFFAOYSA-N 1 2 322.403 4.239 20 30 DIEDLO CC(C)(C)Oc1cccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC001308837956 1066314368 /nfs/dbraw/zinc/31/43/68/1066314368.db2.gz VPEPIWMIHYIFRX-UHFFFAOYSA-N 1 2 306.409 4.251 20 30 DIEDLO CC(C)(C)Oc1cccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC001308837956 1066314385 /nfs/dbraw/zinc/31/43/85/1066314385.db2.gz VPEPIWMIHYIFRX-UHFFFAOYSA-N 1 2 306.409 4.251 20 30 DIEDLO C=CCC[C@@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1ccco1 ZINC000286131384 335032728 /nfs/dbraw/zinc/03/27/28/335032728.db2.gz OMRGOOZPGCFMMV-TZMCWYRMSA-N 1 2 306.431 4.241 20 30 DIEDLO C=CC[C@@H]1N(C(=O)Nc2c(C)cc[nH+]c2C)CCCC1(C)C ZINC000287387822 335045645 /nfs/dbraw/zinc/04/56/45/335045645.db2.gz COKJBYQUHWJLNL-HNNXBMFYSA-N 1 2 301.434 4.297 20 30 DIEDLO C=CCC[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccco1 ZINC000287452217 335046246 /nfs/dbraw/zinc/04/62/46/335046246.db2.gz LKPKGSDNOYEADL-LJQANCHMSA-N 1 2 321.424 4.322 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3nc(Cl)ccc3Cl)CC2)c1 ZINC000274302482 130224986 /nfs/dbraw/zinc/22/49/86/130224986.db2.gz KEEZIDPUCOMXJX-UHFFFAOYSA-N 1 2 318.207 4.039 20 30 DIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287536106 131285708 /nfs/dbraw/zinc/28/57/08/131285708.db2.gz NXGOQPVZRNBQME-UHFFFAOYSA-N 1 2 322.412 4.014 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000517074656 331471154 /nfs/dbraw/zinc/47/11/54/331471154.db2.gz AGBAOJPZAMEVBI-UHFFFAOYSA-N 1 2 320.314 4.359 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1csc(CC)n1)c1ccc(F)c(F)c1 ZINC000187370842 331509092 /nfs/dbraw/zinc/50/90/92/331509092.db2.gz FHGRZIMXNVKCPL-INIZCTEOSA-N 1 2 308.397 4.391 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000409447320 332031611 /nfs/dbraw/zinc/03/16/11/332031611.db2.gz CHOCZYNXAJCTLS-QGZVFWFLSA-N 1 2 320.864 4.433 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000409447320 332031613 /nfs/dbraw/zinc/03/16/13/332031613.db2.gz CHOCZYNXAJCTLS-QGZVFWFLSA-N 1 2 320.864 4.433 20 30 DIEDLO C=CCCc1ccccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000409879057 332061400 /nfs/dbraw/zinc/06/14/00/332061400.db2.gz IOBWADSJXPDNAW-UHFFFAOYSA-N 1 2 309.335 4.176 20 30 DIEDLO C=CC[C@H](CC)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000410135567 332092549 /nfs/dbraw/zinc/09/25/49/332092549.db2.gz NZLNTRJFEMNTTL-INIZCTEOSA-N 1 2 310.397 4.267 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1cnc(C)cn1)c1ccc(F)c(F)c1 ZINC000428427448 332191465 /nfs/dbraw/zinc/19/14/65/332191465.db2.gz RVTJIPNHZOAYJX-SJKOYZFVSA-N 1 2 303.356 4.031 20 30 DIEDLO CC#CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000292989878 335099212 /nfs/dbraw/zinc/09/92/12/335099212.db2.gz CCFFRXYETHBCOI-JTQLQIEISA-N 1 2 324.211 4.060 20 30 DIEDLO CC#CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000292989878 335099214 /nfs/dbraw/zinc/09/92/14/335099214.db2.gz CCFFRXYETHBCOI-JTQLQIEISA-N 1 2 324.211 4.060 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)c(F)c1 ZINC000187772016 332389472 /nfs/dbraw/zinc/38/94/72/332389472.db2.gz RYEMJKFTGSUTMN-GOSISDBHSA-N 1 2 316.326 4.383 20 30 DIEDLO C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(C#N)c(F)c1 ZINC000561748661 332490040 /nfs/dbraw/zinc/49/00/40/332490040.db2.gz OKWRSPAUCGZYTR-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000174843193 333091585 /nfs/dbraw/zinc/09/15/85/333091585.db2.gz MJBDRKQLRRVVII-MRXNPFEDSA-N 1 2 324.827 4.182 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000174843193 333091587 /nfs/dbraw/zinc/09/15/87/333091587.db2.gz MJBDRKQLRRVVII-MRXNPFEDSA-N 1 2 324.827 4.182 20 30 DIEDLO N#C[C@@H]1CCC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000185740740 333213031 /nfs/dbraw/zinc/21/30/31/333213031.db2.gz KRIPNAHHCAIODE-CRAIPNDOSA-N 1 2 320.440 4.381 20 30 DIEDLO N#CCCC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000186856930 333223837 /nfs/dbraw/zinc/22/38/37/333223837.db2.gz CRLYDUBKABCNQI-CQSZACIVSA-N 1 2 314.376 4.099 20 30 DIEDLO N#CCCC[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000186856930 333223839 /nfs/dbraw/zinc/22/38/39/333223839.db2.gz CRLYDUBKABCNQI-CQSZACIVSA-N 1 2 314.376 4.099 20 30 DIEDLO Cc1[nH]c(-c2cccc(NC(=O)C3(C#N)CCCCC3)c2)[nH+]c1C ZINC000364068528 333231378 /nfs/dbraw/zinc/23/13/78/333231378.db2.gz FKSCRJBMGBDVKN-UHFFFAOYSA-N 1 2 322.412 4.106 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191548063 333280594 /nfs/dbraw/zinc/28/05/94/333280594.db2.gz GIMPLYYTGRWDJE-GOSISDBHSA-N 1 2 317.436 4.120 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191548063 333280596 /nfs/dbraw/zinc/28/05/96/333280596.db2.gz GIMPLYYTGRWDJE-GOSISDBHSA-N 1 2 317.436 4.120 20 30 DIEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000531448858 333354388 /nfs/dbraw/zinc/35/43/88/333354388.db2.gz XHBLSNFCWAOYAD-PKOBYXMFSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000531448858 333354389 /nfs/dbraw/zinc/35/43/89/333354389.db2.gz XHBLSNFCWAOYAD-PKOBYXMFSA-N 1 2 324.399 4.106 20 30 DIEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C)(C#N)CC1 ZINC000272637569 334038430 /nfs/dbraw/zinc/03/84/30/334038430.db2.gz XCSPRHMLLDPWMH-LBPRGKRZSA-N 1 2 318.371 4.118 20 30 DIEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)c(OC(F)F)cc1C ZINC000353419570 334062149 /nfs/dbraw/zinc/06/21/49/334062149.db2.gz MVLMXCGTJZMDGN-UHFFFAOYSA-N 1 2 308.372 4.031 20 30 DIEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)c(OC(F)F)cc1C ZINC000353419570 334062151 /nfs/dbraw/zinc/06/21/51/334062151.db2.gz MVLMXCGTJZMDGN-UHFFFAOYSA-N 1 2 308.372 4.031 20 30 DIEDLO N#CCC[N@H+](CCCCCOc1ccccc1)Cc1cccnc1 ZINC000275698862 334072928 /nfs/dbraw/zinc/07/29/28/334072928.db2.gz KBUMIUNSRFBZST-UHFFFAOYSA-N 1 2 323.440 4.047 20 30 DIEDLO N#CCC[N@@H+](CCCCCOc1ccccc1)Cc1cccnc1 ZINC000275698862 334072930 /nfs/dbraw/zinc/07/29/30/334072930.db2.gz KBUMIUNSRFBZST-UHFFFAOYSA-N 1 2 323.440 4.047 20 30 DIEDLO N#C[C@@H]1CCC[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000278377281 334095594 /nfs/dbraw/zinc/09/55/94/334095594.db2.gz CUHNZWZFAYXMGG-NVXWUHKLSA-N 1 2 318.424 4.096 20 30 DIEDLO CC(C)Oc1ccc([N@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000281484699 334126304 /nfs/dbraw/zinc/12/63/04/334126304.db2.gz WTWYCZOMGREGJQ-UHFFFAOYSA-N 1 2 316.445 4.011 20 30 DIEDLO CC(C)Oc1ccc([N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000281484699 334126305 /nfs/dbraw/zinc/12/63/05/334126305.db2.gz WTWYCZOMGREGJQ-UHFFFAOYSA-N 1 2 316.445 4.011 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284315070 334143002 /nfs/dbraw/zinc/14/30/02/334143002.db2.gz JREZBLCKUHMOTO-LLVKDONJSA-N 1 2 305.834 4.197 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284315070 334143004 /nfs/dbraw/zinc/14/30/04/334143004.db2.gz JREZBLCKUHMOTO-LLVKDONJSA-N 1 2 305.834 4.197 20 30 DIEDLO CSCc1cnc(C[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000293409162 334197958 /nfs/dbraw/zinc/19/79/58/334197958.db2.gz YTMRYNONDVDIHH-HNNXBMFYSA-N 1 2 317.483 4.141 20 30 DIEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000295633853 334226161 /nfs/dbraw/zinc/22/61/61/334226161.db2.gz GBYHYLZKFCXUGR-KRWDZBQOSA-N 1 2 315.420 4.155 20 30 DIEDLO N#CCC[C@@H](C#N)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000295633853 334226162 /nfs/dbraw/zinc/22/61/62/334226162.db2.gz GBYHYLZKFCXUGR-KRWDZBQOSA-N 1 2 315.420 4.155 20 30 DIEDLO Cc1cc([C@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)ccc1F ZINC000187700343 334269187 /nfs/dbraw/zinc/26/91/87/334269187.db2.gz NJZHGOPWVFZNKL-MGPUTAFESA-N 1 2 324.399 4.140 20 30 DIEDLO Cc1cc([C@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)ccc1F ZINC000187700343 334269189 /nfs/dbraw/zinc/26/91/89/334269189.db2.gz NJZHGOPWVFZNKL-MGPUTAFESA-N 1 2 324.399 4.140 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000187706425 334269373 /nfs/dbraw/zinc/26/93/73/334269373.db2.gz PHPQADXJPSCCGX-CQSZACIVSA-N 1 2 301.393 4.159 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000187706425 334269374 /nfs/dbraw/zinc/26/93/74/334269374.db2.gz PHPQADXJPSCCGX-CQSZACIVSA-N 1 2 301.393 4.159 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc(C#N)cc1F ZINC000534967594 334350644 /nfs/dbraw/zinc/35/06/44/334350644.db2.gz DDTZJRHLPKOEDE-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc(C#N)cc1F ZINC000534967594 334350645 /nfs/dbraw/zinc/35/06/45/334350645.db2.gz DDTZJRHLPKOEDE-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=CC[N@H+](Cc1csc(-c2ccccn2)n1)Cc1ccccc1 ZINC000111682417 334353617 /nfs/dbraw/zinc/35/36/17/334353617.db2.gz PVLHHOBUYVHYOL-UHFFFAOYSA-N 1 2 321.449 4.393 20 30 DIEDLO C=CC[N@@H+](Cc1csc(-c2ccccn2)n1)Cc1ccccc1 ZINC000111682417 334353619 /nfs/dbraw/zinc/35/36/19/334353619.db2.gz PVLHHOBUYVHYOL-UHFFFAOYSA-N 1 2 321.449 4.393 20 30 DIEDLO C=CC[N@@H+](Cc1cc(-c2ccco2)on1)Cc1cccs1 ZINC000050274381 334378263 /nfs/dbraw/zinc/37/82/63/334378263.db2.gz FNAYHKYWBGRNNN-UHFFFAOYSA-N 1 2 300.383 4.184 20 30 DIEDLO C=CC[N@H+](Cc1cc(-c2ccco2)on1)Cc1cccs1 ZINC000050274381 334378265 /nfs/dbraw/zinc/37/82/65/334378265.db2.gz FNAYHKYWBGRNNN-UHFFFAOYSA-N 1 2 300.383 4.184 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3csc(-c4ccco4)n3)CC2)c1 ZINC000341215389 334418405 /nfs/dbraw/zinc/41/84/05/334418405.db2.gz ROMBVNNOSMAMSG-UHFFFAOYSA-N 1 2 321.405 4.054 20 30 DIEDLO Cc1cccc(CCCNc2ccc(C#N)cc2C(F)(F)F)[nH+]1 ZINC000343238167 334723480 /nfs/dbraw/zinc/72/34/80/334723480.db2.gz YGTHUDSMOJFHDS-UHFFFAOYSA-N 1 2 319.330 4.325 20 30 DIEDLO C=C[C@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)c1ccccc1 ZINC000535501563 334739067 /nfs/dbraw/zinc/73/90/67/334739067.db2.gz LJNMVZWNQBTQQY-OAHLLOKOSA-N 1 2 319.408 4.180 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccn(C3CCCC3)n2)C2CC2)cc1 ZINC000344125877 335219905 /nfs/dbraw/zinc/21/99/05/335219905.db2.gz XIFGADWEJBSTRR-UHFFFAOYSA-N 1 2 320.440 4.034 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccn(C3CCCC3)n2)C2CC2)cc1 ZINC000344125877 335219906 /nfs/dbraw/zinc/21/99/06/335219906.db2.gz XIFGADWEJBSTRR-UHFFFAOYSA-N 1 2 320.440 4.034 20 30 DIEDLO C=C(C)COc1cc(CNc2ccc(C)[nH+]c2C)ccc1OC ZINC000344819379 335280809 /nfs/dbraw/zinc/28/08/09/335280809.db2.gz CQQZDJSMYHHNCR-UHFFFAOYSA-N 1 2 312.413 4.274 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@H+](C)[C@H](C)CC#N)cc2)cc1 ZINC000346144222 335381148 /nfs/dbraw/zinc/38/11/48/335381148.db2.gz RUKVDEMVBHPTBW-OAHLLOKOSA-N 1 2 310.397 4.221 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@@H+](C)[C@H](C)CC#N)cc2)cc1 ZINC000346144222 335381150 /nfs/dbraw/zinc/38/11/50/335381150.db2.gz RUKVDEMVBHPTBW-OAHLLOKOSA-N 1 2 310.397 4.221 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(Oc2ccccc2)nn1 ZINC000346278042 335391775 /nfs/dbraw/zinc/39/17/75/335391775.db2.gz OAXJXAYRIXVNGC-UHFFFAOYSA-N 1 2 324.428 4.031 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(Oc2ccccc2)nn1 ZINC000346278042 335391777 /nfs/dbraw/zinc/39/17/77/335391777.db2.gz OAXJXAYRIXVNGC-UHFFFAOYSA-N 1 2 324.428 4.031 20 30 DIEDLO Cc1cccn2cc(CSc3ccc(C#N)cc3Cl)[nH+]c12 ZINC000532309229 335930125 /nfs/dbraw/zinc/93/01/25/335930125.db2.gz RTKJGLVJZXLKGW-UHFFFAOYSA-N 1 2 313.813 4.460 20 30 DIEDLO N#Cc1c(C[N@H+]2CCc3c(Cl)cccc3C2)cn2ccccc12 ZINC000352221588 336203935 /nfs/dbraw/zinc/20/39/35/336203935.db2.gz JITOXZBGQUWLQL-UHFFFAOYSA-N 1 2 321.811 4.023 20 30 DIEDLO N#Cc1c(C[N@@H+]2CCc3c(Cl)cccc3C2)cn2ccccc12 ZINC000352221588 336203936 /nfs/dbraw/zinc/20/39/36/336203936.db2.gz JITOXZBGQUWLQL-UHFFFAOYSA-N 1 2 321.811 4.023 20 30 DIEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000103139564 336239500 /nfs/dbraw/zinc/23/95/00/336239500.db2.gz YPFGOYDRSRZPON-LLVKDONJSA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000103139564 336239501 /nfs/dbraw/zinc/23/95/01/336239501.db2.gz YPFGOYDRSRZPON-LLVKDONJSA-N 1 2 304.315 4.169 20 30 DIEDLO CC(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1Cl ZINC000352848650 336278450 /nfs/dbraw/zinc/27/84/50/336278450.db2.gz WIWJTQUDBBAORD-OAHLLOKOSA-N 1 2 305.834 4.155 20 30 DIEDLO N#Cc1csc(C[NH2+]Cc2ccc(Oc3ccccc3)cc2)n1 ZINC000352853228 336280203 /nfs/dbraw/zinc/28/02/03/336280203.db2.gz MCZLRRJWHLNDQI-UHFFFAOYSA-N 1 2 321.405 4.097 20 30 DIEDLO CCN(CC)c1ccc(CNc2ccc(Cl)cc2C#N)c[nH+]1 ZINC000301189082 336294069 /nfs/dbraw/zinc/29/40/69/336294069.db2.gz KTFGTNPBSFJQIP-UHFFFAOYSA-N 1 2 314.820 4.065 20 30 DIEDLO CC[C@@H](C#N)Oc1cccc(CNc2cc[nH+]c(C(C)(C)C)n2)c1 ZINC000301503882 336310939 /nfs/dbraw/zinc/31/09/39/336310939.db2.gz BYDWRUKHPYRIPF-HNNXBMFYSA-N 1 2 324.428 4.067 20 30 DIEDLO CC[C@H](C#N)Oc1cccc(CNc2cc[nH+]c(C(C)(C)C)n2)c1 ZINC000301503884 336311045 /nfs/dbraw/zinc/31/10/45/336311045.db2.gz BYDWRUKHPYRIPF-OAHLLOKOSA-N 1 2 324.428 4.067 20 30 DIEDLO N#Cc1cccc(Cl)c1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000301544758 336313782 /nfs/dbraw/zinc/31/37/82/336313782.db2.gz OPYUZZSVOKIVBG-UHFFFAOYSA-N 1 2 310.788 4.133 20 30 DIEDLO N#Cc1cccc(Cl)c1NCc1ccccc1-n1cc[nH+]c1 ZINC000302636104 336363214 /nfs/dbraw/zinc/36/32/14/336363214.db2.gz HJJKWMCTSAPGMF-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1nc2ccccc2o1 ZINC000352905571 336375812 /nfs/dbraw/zinc/37/58/12/336375812.db2.gz YSSMWLSIDZMTFL-UHFFFAOYSA-N 1 2 324.428 4.184 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1nc2ccccc2o1 ZINC000352905571 336375813 /nfs/dbraw/zinc/37/58/13/336375813.db2.gz YSSMWLSIDZMTFL-UHFFFAOYSA-N 1 2 324.428 4.184 20 30 DIEDLO C[C@@H]([NH2+][C@@H](c1nccs1)c1ccccc1)c1ccc(C#N)cc1 ZINC000118395177 336867291 /nfs/dbraw/zinc/86/72/91/336867291.db2.gz ISLTWSLVNWILHP-RDTXWAMCSA-N 1 2 319.433 4.455 20 30 DIEDLO C=CCC1(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CCC1 ZINC000189843853 337283398 /nfs/dbraw/zinc/28/33/98/337283398.db2.gz LHCHJMIFGWFWCY-UHFFFAOYSA-N 1 2 309.413 4.136 20 30 DIEDLO Cc1cc(CNc2cc(C#N)ccc2C(F)(F)F)cc(C)[nH+]1 ZINC000420646255 337509858 /nfs/dbraw/zinc/50/98/58/337509858.db2.gz AVPKZJDOTMATEA-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO Cc1cc(Cl)ccc1CNc1[nH+]cccc1OCCCC#N ZINC000162261516 337612578 /nfs/dbraw/zinc/61/25/78/337612578.db2.gz PATJXPCNMKOTQC-UHFFFAOYSA-N 1 2 315.804 4.338 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000091064282 337888913 /nfs/dbraw/zinc/88/89/13/337888913.db2.gz DHUANTBYOYUAFD-HXUWFJFHSA-N 1 2 316.408 4.007 20 30 DIEDLO C=CCC(C)(C)c1nc(Cn2c3ccccc3[nH+]c2C(C)C)no1 ZINC000426445999 338032284 /nfs/dbraw/zinc/03/22/84/338032284.db2.gz RJJPPXVNVKTOIN-UHFFFAOYSA-N 1 2 324.428 4.445 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc(F)c1C#N ZINC000428953881 338066466 /nfs/dbraw/zinc/06/64/66/338066466.db2.gz LBSDZCVHLRDQBF-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc(F)c1C#N ZINC000428953881 338066467 /nfs/dbraw/zinc/06/64/67/338066467.db2.gz LBSDZCVHLRDQBF-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000428967114 338067088 /nfs/dbraw/zinc/06/70/88/338067088.db2.gz WYQUVJQSTZFPSO-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000428967114 338067089 /nfs/dbraw/zinc/06/70/89/338067089.db2.gz WYQUVJQSTZFPSO-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433311944 338191451 /nfs/dbraw/zinc/19/14/51/338191451.db2.gz JNGQISKVYPWSPJ-CABCVRRESA-N 1 2 315.461 4.009 20 30 DIEDLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433311944 338191452 /nfs/dbraw/zinc/19/14/52/338191452.db2.gz JNGQISKVYPWSPJ-CABCVRRESA-N 1 2 315.461 4.009 20 30 DIEDLO CC[C@@H](C#N)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000436057395 338256875 /nfs/dbraw/zinc/25/68/75/338256875.db2.gz VSPDYRFUSHEUJS-LBPRGKRZSA-N 1 2 318.405 4.430 20 30 DIEDLO C=C(C)C[C@@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436192413 338261358 /nfs/dbraw/zinc/26/13/58/338261358.db2.gz UBFYBQGRFXGVQM-OAHLLOKOSA-N 1 2 323.440 4.427 20 30 DIEDLO C=CCOc1ccc(OCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000437599924 338315807 /nfs/dbraw/zinc/31/58/07/338315807.db2.gz HMPJQTVNHVFRHB-UHFFFAOYSA-N 1 2 320.392 4.075 20 30 DIEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000437636606 338316827 /nfs/dbraw/zinc/31/68/27/338316827.db2.gz AYXLDHWKODLMHT-AWEZNQCLSA-N 1 2 324.424 4.480 20 30 DIEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000437636606 338316828 /nfs/dbraw/zinc/31/68/28/338316828.db2.gz AYXLDHWKODLMHT-AWEZNQCLSA-N 1 2 324.424 4.480 20 30 DIEDLO Cc1cnc([C@H]([NH2+]Cc2ccc(C#N)cc2Cl)C2CC2)s1 ZINC000439438100 338369493 /nfs/dbraw/zinc/36/94/93/338369493.db2.gz JEXLFPUKNOVCQZ-OAHLLOKOSA-N 1 2 317.845 4.218 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1Cl ZINC000439452204 338369907 /nfs/dbraw/zinc/36/99/07/338369907.db2.gz ZWADXIQRSRUKPY-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1Cl ZINC000439452204 338369908 /nfs/dbraw/zinc/36/99/08/338369908.db2.gz ZWADXIQRSRUKPY-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2Cl)s1 ZINC000439452732 338369911 /nfs/dbraw/zinc/36/99/11/338369911.db2.gz ORHOFZLRJQTOJC-UHFFFAOYSA-N 1 2 305.834 4.002 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(F)c(F)c1 ZINC000450776866 338705010 /nfs/dbraw/zinc/70/50/10/338705010.db2.gz LSMGPFLUYWJDEV-HNNXBMFYSA-N 1 2 321.396 4.101 20 30 DIEDLO C=C[C@H](Cc1nc(CCc2[nH+]cccc2C)no1)c1ccccc1 ZINC000453213535 338808725 /nfs/dbraw/zinc/80/87/25/338808725.db2.gz AOUIOLBOKSENEG-MRXNPFEDSA-N 1 2 319.408 4.071 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1nc2c(s1)CCC2 ZINC000459636045 339039498 /nfs/dbraw/zinc/03/94/98/339039498.db2.gz VVFWCKZDMWQJNQ-SNVBAGLBSA-N 1 2 317.845 4.008 20 30 DIEDLO N#CCC[C@H](C#N)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459764865 339047171 /nfs/dbraw/zinc/04/71/71/339047171.db2.gz ZRICIYDXIPDONI-MJGOQNOKSA-N 1 2 307.441 4.437 20 30 DIEDLO N#CCC[C@H](C#N)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459764865 339047172 /nfs/dbraw/zinc/04/71/72/339047172.db2.gz ZRICIYDXIPDONI-MJGOQNOKSA-N 1 2 307.441 4.437 20 30 DIEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459764856 339047267 /nfs/dbraw/zinc/04/72/67/339047267.db2.gz ZRICIYDXIPDONI-HKUYNNGSSA-N 1 2 307.441 4.437 20 30 DIEDLO N#CCC[C@@H](C#N)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459764856 339047268 /nfs/dbraw/zinc/04/72/68/339047268.db2.gz ZRICIYDXIPDONI-HKUYNNGSSA-N 1 2 307.441 4.437 20 30 DIEDLO COc1ccc(F)cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000462950436 339098762 /nfs/dbraw/zinc/09/87/62/339098762.db2.gz CVBIRFPKKXGYGY-OALUTQOASA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(F)cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000462950436 339098763 /nfs/dbraw/zinc/09/87/63/339098763.db2.gz CVBIRFPKKXGYGY-OALUTQOASA-N 1 2 324.399 4.106 20 30 DIEDLO N#Cc1ccc(CNc2[nH+]cccc2-c2ccccc2)c(F)c1 ZINC000466615029 339210574 /nfs/dbraw/zinc/21/05/74/339210574.db2.gz ANLFQXHCXVWSMI-UHFFFAOYSA-N 1 2 303.340 4.371 20 30 DIEDLO COc1ccc(CNc2[nH+]cccc2-c2ccccc2)cc1C#N ZINC000466636701 339211329 /nfs/dbraw/zinc/21/13/29/339211329.db2.gz VFGWTOCDYJXRQH-UHFFFAOYSA-N 1 2 315.376 4.241 20 30 DIEDLO COc1ccc(C#N)cc1N[C@@H]1CCC[C@H](c2[nH+]cccc2C)C1 ZINC000467493018 339240399 /nfs/dbraw/zinc/24/03/99/339240399.db2.gz FKQNYIUWKSNTHH-DLBZAZTESA-N 1 2 321.424 4.409 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccc(F)cc1Cl ZINC000468273935 339258628 /nfs/dbraw/zinc/25/86/28/339258628.db2.gz FJWVMRGCKFQEKW-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccc(F)cc1Cl ZINC000468273935 339258629 /nfs/dbraw/zinc/25/86/29/339258629.db2.gz FJWVMRGCKFQEKW-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO Cc1ccc([C@@H]([NH2+]CC#Cc2ccccc2)c2ccccn2)cc1 ZINC000471067182 339336282 /nfs/dbraw/zinc/33/62/82/339336282.db2.gz UPUWWDDSQSJJSR-JOCHJYFZSA-N 1 2 312.416 4.121 20 30 DIEDLO Cc1ccccc1[N@@H+](CCCC1(C#N)CCOCC1)C(C)C ZINC000499535043 340039003 /nfs/dbraw/zinc/03/90/03/340039003.db2.gz YBPFNJYNXFCBAJ-UHFFFAOYSA-N 1 2 300.446 4.310 20 30 DIEDLO Cc1ccccc1[N@H+](CCCC1(C#N)CCOCC1)C(C)C ZINC000499535043 340039004 /nfs/dbraw/zinc/03/90/04/340039004.db2.gz YBPFNJYNXFCBAJ-UHFFFAOYSA-N 1 2 300.446 4.310 20 30 DIEDLO C=C(C)CCSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000505683218 340174923 /nfs/dbraw/zinc/17/49/23/340174923.db2.gz IUENVVHJRWZALF-UHFFFAOYSA-N 1 2 314.389 4.013 20 30 DIEDLO C=CC[N@@H+](Cc1cnn(CCC)c1)Cc1ccc(Cl)s1 ZINC000506126842 340186280 /nfs/dbraw/zinc/18/62/80/340186280.db2.gz WQYVZFSULMKQMW-UHFFFAOYSA-N 1 2 309.866 4.196 20 30 DIEDLO C=CC[N@H+](Cc1cnn(CCC)c1)Cc1ccc(Cl)s1 ZINC000506126842 340186281 /nfs/dbraw/zinc/18/62/81/340186281.db2.gz WQYVZFSULMKQMW-UHFFFAOYSA-N 1 2 309.866 4.196 20 30 DIEDLO CC[N@H+](Cc1c(F)ccc(O)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000507333394 340217507 /nfs/dbraw/zinc/21/75/07/340217507.db2.gz LWZOKVKDHOCHJX-GFCCVEGCSA-N 1 2 316.351 4.125 20 30 DIEDLO C=CC[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1 ZINC000508526699 340245689 /nfs/dbraw/zinc/24/56/89/340245689.db2.gz DFWSZKVRURSSNK-UHFFFAOYSA-N 1 2 317.436 4.120 20 30 DIEDLO C=CC[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1 ZINC000508526699 340245690 /nfs/dbraw/zinc/24/56/90/340245690.db2.gz DFWSZKVRURSSNK-UHFFFAOYSA-N 1 2 317.436 4.120 20 30 DIEDLO C=CCN(Cc1[nH+]ccn1Cc1ccccc1)Cc1ccccc1 ZINC000508526699 340245691 /nfs/dbraw/zinc/24/56/91/340245691.db2.gz DFWSZKVRURSSNK-UHFFFAOYSA-N 1 2 317.436 4.120 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(OCCCc2ccccc2)c1 ZINC000509784669 340279087 /nfs/dbraw/zinc/27/90/87/340279087.db2.gz XVCZIXNMPISTSS-GOSISDBHSA-N 1 2 322.452 4.290 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(OCCCc2ccccc2)c1 ZINC000509784669 340279088 /nfs/dbraw/zinc/27/90/88/340279088.db2.gz XVCZIXNMPISTSS-GOSISDBHSA-N 1 2 322.452 4.290 20 30 DIEDLO CC[N@@H+](Cc1ccc(-c2ccc(F)cc2C)o1)C[C@@H](C)C#N ZINC000509800638 340279532 /nfs/dbraw/zinc/27/95/32/340279532.db2.gz ZHDLFLVMTBLLFR-ZDUSSCGKSA-N 1 2 300.377 4.376 20 30 DIEDLO CC[N@H+](Cc1ccc(-c2ccc(F)cc2C)o1)C[C@@H](C)C#N ZINC000509800638 340279533 /nfs/dbraw/zinc/27/95/33/340279533.db2.gz ZHDLFLVMTBLLFR-ZDUSSCGKSA-N 1 2 300.377 4.376 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000509810023 340279727 /nfs/dbraw/zinc/27/97/27/340279727.db2.gz VZHDNMOBBOJQDN-SECBINFHSA-N 1 2 324.268 4.316 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000509810023 340279728 /nfs/dbraw/zinc/27/97/28/340279728.db2.gz VZHDNMOBBOJQDN-SECBINFHSA-N 1 2 324.268 4.316 20 30 DIEDLO C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000510887594 340314017 /nfs/dbraw/zinc/31/40/17/340314017.db2.gz LERVKGINZWEPLJ-JTQLQIEISA-N 1 2 301.192 4.382 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)cc1F ZINC000512179639 340351117 /nfs/dbraw/zinc/35/11/17/340351117.db2.gz MBQHFQBLSWSIGU-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)cc1F ZINC000512179639 340351118 /nfs/dbraw/zinc/35/11/18/340351118.db2.gz MBQHFQBLSWSIGU-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000512375558 340359418 /nfs/dbraw/zinc/35/94/18/340359418.db2.gz UQZFLBKTWIMYND-UHFFFAOYSA-N 1 2 306.749 4.029 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000512375558 340359419 /nfs/dbraw/zinc/35/94/19/340359419.db2.gz UQZFLBKTWIMYND-UHFFFAOYSA-N 1 2 306.749 4.029 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(F)c1F ZINC000512542314 340366127 /nfs/dbraw/zinc/36/61/27/340366127.db2.gz NKCUYQWOXRHXNH-UHFFFAOYSA-N 1 2 319.399 4.321 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(F)c1F ZINC000512542314 340366128 /nfs/dbraw/zinc/36/61/28/340366128.db2.gz NKCUYQWOXRHXNH-UHFFFAOYSA-N 1 2 319.399 4.321 20 30 DIEDLO C[C@@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1F ZINC000512610387 340369007 /nfs/dbraw/zinc/36/90/07/340369007.db2.gz AKHKZWPZZZIMOU-HWPZZCPQSA-N 1 2 316.763 4.135 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187369786 340519336 /nfs/dbraw/zinc/51/93/36/340519336.db2.gz FKFYAEDMBTYPSQ-OAHLLOKOSA-N 1 2 324.352 4.342 20 30 DIEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000236919199 340666364 /nfs/dbraw/zinc/66/63/64/340666364.db2.gz GQQAPORTFWEHCM-GFCCVEGCSA-N 1 2 311.410 4.338 20 30 DIEDLO C[C@H](c1ccccc1Br)[N@H+](C)Cc1ccc(C#N)o1 ZINC000131014814 341056246 /nfs/dbraw/zinc/05/62/46/341056246.db2.gz PECJXKJVIAUCRW-LLVKDONJSA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@H](c1ccccc1Br)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000131014814 341056247 /nfs/dbraw/zinc/05/62/47/341056247.db2.gz PECJXKJVIAUCRW-LLVKDONJSA-N 1 2 319.202 4.107 20 30 DIEDLO CCC(CC)n1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000544189146 341073748 /nfs/dbraw/zinc/07/37/48/341073748.db2.gz FBBUACDKEXSXJJ-UHFFFAOYSA-N 1 2 322.456 4.280 20 30 DIEDLO CCC(CC)n1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000544189146 341073749 /nfs/dbraw/zinc/07/37/49/341073749.db2.gz FBBUACDKEXSXJJ-UHFFFAOYSA-N 1 2 322.456 4.280 20 30 DIEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000545164722 341110970 /nfs/dbraw/zinc/11/09/70/341110970.db2.gz DPXVQOROWGCWSE-OAHLLOKOSA-N 1 2 306.837 4.443 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2ccc(-c3ccccc3F)o2)c1 ZINC000547341368 341207245 /nfs/dbraw/zinc/20/72/45/341207245.db2.gz OXAWCXQENASQOY-UHFFFAOYSA-N 1 2 307.328 4.159 20 30 DIEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000078519268 341243342 /nfs/dbraw/zinc/24/33/42/341243342.db2.gz BWFYNPKCUJDOOY-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO Cc1oc(-c2ccccc2)nc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000078519268 341243343 /nfs/dbraw/zinc/24/33/43/341243343.db2.gz BWFYNPKCUJDOOY-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO C[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccc(C#N)cc1 ZINC000549174245 341287932 /nfs/dbraw/zinc/28/79/32/341287932.db2.gz QAWLZAVTBJWPTJ-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO CC#CC[N@H+](C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000550128825 341310622 /nfs/dbraw/zinc/31/06/22/341310622.db2.gz OQSOETNXOWRUOU-CYBMUJFWSA-N 1 2 302.805 4.320 20 30 DIEDLO CC#CC[N@@H+](C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000550128825 341310623 /nfs/dbraw/zinc/31/06/23/341310623.db2.gz OQSOETNXOWRUOU-CYBMUJFWSA-N 1 2 302.805 4.320 20 30 DIEDLO C=CC[N@@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1F ZINC000551556836 341345186 /nfs/dbraw/zinc/34/51/86/341345186.db2.gz YGDFNFVCVRNIDF-UHFFFAOYSA-N 1 2 313.420 4.101 20 30 DIEDLO C=CC[N@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1F ZINC000551556836 341345187 /nfs/dbraw/zinc/34/51/87/341345187.db2.gz YGDFNFVCVRNIDF-UHFFFAOYSA-N 1 2 313.420 4.101 20 30 DIEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@](C)(C#N)CC)c1 ZINC000552093614 341369345 /nfs/dbraw/zinc/36/93/45/341369345.db2.gz SICKFUWJSJPNLG-IBGZPJMESA-N 1 2 324.428 4.229 20 30 DIEDLO C=C1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3F)s2)CC1 ZINC000554820649 341465397 /nfs/dbraw/zinc/46/53/97/341465397.db2.gz SYVMRZWPGMSQAC-LBPRGKRZSA-N 1 2 303.406 4.057 20 30 DIEDLO N#Cc1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)c(F)c1 ZINC000312752049 341628497 /nfs/dbraw/zinc/62/84/97/341628497.db2.gz XFDPXTFBLMNBKK-UHFFFAOYSA-N 1 2 315.200 4.355 20 30 DIEDLO N#CCCC1CCN(c2[nH+]cccc2OCc2ccccc2)CC1 ZINC000573440402 341728532 /nfs/dbraw/zinc/72/85/32/341728532.db2.gz MGEVKDIVESWNLN-UHFFFAOYSA-N 1 2 321.424 4.181 20 30 DIEDLO C[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccc(C#N)cc1 ZINC000338340611 525487922 /nfs/dbraw/zinc/48/79/22/525487922.db2.gz CUVOOTUDTDFTRC-LBPRGKRZSA-N 1 2 309.394 4.126 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nnc(-c2cccs2)o1 ZINC000338361094 525657264 /nfs/dbraw/zinc/65/72/64/525657264.db2.gz LRRKJORECNNJPC-VXGBXAGGSA-N 1 2 324.409 4.082 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000190025904 525662846 /nfs/dbraw/zinc/66/28/46/525662846.db2.gz UYZRPXMDHQWCIF-ZIAGYGMSSA-N 1 2 324.428 4.401 20 30 DIEDLO N#Cc1ccccc1C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000339514631 526737380 /nfs/dbraw/zinc/73/73/80/526737380.db2.gz CDRHDWMOSUMDHZ-MRXNPFEDSA-N 1 2 304.315 4.342 20 30 DIEDLO CC[C@@H]([NH2+]CC(F)(F)c1ccccc1)c1ccc(C#N)cc1 ZINC000577684661 1035583969 /nfs/dbraw/zinc/58/39/69/1035583969.db2.gz PCNCHJMPZWBBFY-QGZVFWFLSA-N 1 2 300.352 4.391 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1c(C)onc1CC)c1ccc(F)c(F)c1 ZINC000274900131 1035945098 /nfs/dbraw/zinc/94/50/98/1035945098.db2.gz SINNOXVMWOTXMF-KRWDZBQOSA-N 1 2 306.356 4.231 20 30 DIEDLO Cc1c[nH+]cc(Nc2nc(-c3ccc(C#N)s3)cs2)c1C ZINC001213528718 1037447470 /nfs/dbraw/zinc/44/74/70/1037447470.db2.gz MXEZGVIUCHEYTM-UHFFFAOYSA-N 1 2 312.423 4.499 20 30 DIEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1csc(C#N)c1 ZINC000891517267 1038004663 /nfs/dbraw/zinc/00/46/63/1038004663.db2.gz TVPYWMUWUMUDIL-LLVKDONJSA-N 1 2 313.451 4.422 20 30 DIEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000891517267 1038004684 /nfs/dbraw/zinc/00/46/84/1038004684.db2.gz TVPYWMUWUMUDIL-LLVKDONJSA-N 1 2 313.451 4.422 20 30 DIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC12CCCCC2 ZINC000707347290 1038059497 /nfs/dbraw/zinc/05/94/97/1038059497.db2.gz QKRJJFFUXPIEBT-UHFFFAOYSA-N 1 2 319.246 4.229 20 30 DIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC12CCCCC2 ZINC000707347290 1038059515 /nfs/dbraw/zinc/05/95/15/1038059515.db2.gz QKRJJFFUXPIEBT-UHFFFAOYSA-N 1 2 319.246 4.229 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc([C@H]2CCCO2)s1 ZINC000349543702 1038089252 /nfs/dbraw/zinc/08/92/52/1038089252.db2.gz RQWOHWPHGQDLBU-OAHLLOKOSA-N 1 2 320.483 4.244 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc([C@H]2CCCO2)s1 ZINC000349543702 1038089270 /nfs/dbraw/zinc/08/92/70/1038089270.db2.gz RQWOHWPHGQDLBU-OAHLLOKOSA-N 1 2 320.483 4.244 20 30 DIEDLO CC[N@H+](Cc1nc(C(C)(C)C)co1)[C@H](C)c1ccc(C#N)cc1 ZINC000891656415 1038109994 /nfs/dbraw/zinc/10/99/94/1038109994.db2.gz NQYIQJHCIGXXEJ-CQSZACIVSA-N 1 2 311.429 4.427 20 30 DIEDLO CC[N@@H+](Cc1nc(C(C)(C)C)co1)[C@H](C)c1ccc(C#N)cc1 ZINC000891656415 1038110004 /nfs/dbraw/zinc/11/00/04/1038110004.db2.gz NQYIQJHCIGXXEJ-CQSZACIVSA-N 1 2 311.429 4.427 20 30 DIEDLO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[C@H]1C#N ZINC000602975962 1038118681 /nfs/dbraw/zinc/11/86/81/1038118681.db2.gz JGMWPGIKLVBXFN-GUYCJALGSA-N 1 2 315.804 4.119 20 30 DIEDLO C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[C@H]1C#N ZINC000602975962 1038118693 /nfs/dbraw/zinc/11/86/93/1038118693.db2.gz JGMWPGIKLVBXFN-GUYCJALGSA-N 1 2 315.804 4.119 20 30 DIEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cc(-c2ccccc2)n(C)n1 ZINC000599053099 1038230255 /nfs/dbraw/zinc/23/02/55/1038230255.db2.gz DEDQIDOXHZOMAM-INIZCTEOSA-N 1 2 322.456 4.212 20 30 DIEDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC000603603458 1038251480 /nfs/dbraw/zinc/25/14/80/1038251480.db2.gz HTTCTECNPUBNBV-IFXJQAMLSA-N 1 2 306.409 4.439 20 30 DIEDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC000603603458 1038251497 /nfs/dbraw/zinc/25/14/97/1038251497.db2.gz HTTCTECNPUBNBV-IFXJQAMLSA-N 1 2 306.409 4.439 20 30 DIEDLO C[C@H]1C[C@@H]1C[NH+](Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000603669560 1038263660 /nfs/dbraw/zinc/26/36/60/1038263660.db2.gz MWQIVWNNPKKJFF-HRAATJIYSA-N 1 2 315.420 4.088 20 30 DIEDLO C=C1CC[NH+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000341999161 1038365267 /nfs/dbraw/zinc/36/52/67/1038365267.db2.gz JRHXZZVWSWTBFD-UHFFFAOYSA-N 1 2 324.211 4.195 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1 ZINC000610864008 1038383016 /nfs/dbraw/zinc/38/30/16/1038383016.db2.gz AKPRKFURNRLJSK-UONOGXRCSA-N 1 2 318.380 4.020 20 30 DIEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991513 1038419517 /nfs/dbraw/zinc/41/95/17/1038419517.db2.gz OUPSSJHJZJUNJP-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991513 1038419524 /nfs/dbraw/zinc/41/95/24/1038419524.db2.gz OUPSSJHJZJUNJP-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C=CCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000605150404 1038494512 /nfs/dbraw/zinc/49/45/12/1038494512.db2.gz VRDCRNBEZNJQFH-OAHLLOKOSA-N 1 2 300.229 4.333 20 30 DIEDLO C=CCCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000605150404 1038494518 /nfs/dbraw/zinc/49/45/18/1038494518.db2.gz VRDCRNBEZNJQFH-OAHLLOKOSA-N 1 2 300.229 4.333 20 30 DIEDLO COCC[N@H+](CCC#N)Cc1ccc(C2CCCCC2)cc1 ZINC001167557932 1038618759 /nfs/dbraw/zinc/61/87/59/1038618759.db2.gz AHINVQCNNKHWIH-UHFFFAOYSA-N 1 2 300.446 4.096 20 30 DIEDLO COCC[N@@H+](CCC#N)Cc1ccc(C2CCCCC2)cc1 ZINC001167557932 1038618764 /nfs/dbraw/zinc/61/87/64/1038618764.db2.gz AHINVQCNNKHWIH-UHFFFAOYSA-N 1 2 300.446 4.096 20 30 DIEDLO C=CC[N@@H+](Cc1nc2ccccc2n1CC)Cc1ccccc1 ZINC000534342485 1039030320 /nfs/dbraw/zinc/03/03/20/1039030320.db2.gz VIYGOSBEQDNQJM-UHFFFAOYSA-N 1 2 305.425 4.244 20 30 DIEDLO C=CC[N@H+](Cc1nc2ccccc2n1CC)Cc1ccccc1 ZINC000534342485 1039030336 /nfs/dbraw/zinc/03/03/36/1039030336.db2.gz VIYGOSBEQDNQJM-UHFFFAOYSA-N 1 2 305.425 4.244 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1sc(C)nc1C)c1ccc(Cl)cc1F ZINC000491641966 1039869780 /nfs/dbraw/zinc/86/97/80/1039869780.db2.gz UTVJTMIBKFLXMJ-CQSZACIVSA-N 1 2 308.809 4.017 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(Cl)cc1F ZINC001140704399 1040158160 /nfs/dbraw/zinc/15/81/60/1040158160.db2.gz ONLLXEAQIDCPFU-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(Cl)cc1F ZINC001140704399 1040158165 /nfs/dbraw/zinc/15/81/65/1040158165.db2.gz ONLLXEAQIDCPFU-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000612165544 1040469264 /nfs/dbraw/zinc/46/92/64/1040469264.db2.gz QCWROLRCSNHBMM-OAQYLSRUSA-N 1 2 320.436 4.391 20 30 DIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000612165544 1040469272 /nfs/dbraw/zinc/46/92/72/1040469272.db2.gz QCWROLRCSNHBMM-OAQYLSRUSA-N 1 2 320.436 4.391 20 30 DIEDLO Cc1cnc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 ZINC000364691164 1040555321 /nfs/dbraw/zinc/55/53/21/1040555321.db2.gz QSKLYRMYGIAGGA-OAHLLOKOSA-N 1 2 317.392 4.373 20 30 DIEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000612406456 1040584695 /nfs/dbraw/zinc/58/46/95/1040584695.db2.gz MSSNWOOWJANLLJ-LJQANCHMSA-N 1 2 309.388 4.013 20 30 DIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000612406456 1040584700 /nfs/dbraw/zinc/58/47/00/1040584700.db2.gz MSSNWOOWJANLLJ-LJQANCHMSA-N 1 2 309.388 4.013 20 30 DIEDLO CC[N@H+](Cc1ccccc1F)Cc1cccc(C#N)c1Cl ZINC001140812994 1041055724 /nfs/dbraw/zinc/05/57/24/1041055724.db2.gz RJNVTEPQHHARBK-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC[N@@H+](Cc1ccccc1F)Cc1cccc(C#N)c1Cl ZINC001140812994 1041055743 /nfs/dbraw/zinc/05/57/43/1041055743.db2.gz RJNVTEPQHHARBK-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(F)c(Cl)c1 ZINC000180311998 1041115493 /nfs/dbraw/zinc/11/54/93/1041115493.db2.gz JLBUPQMWGHSEDK-FNORWQNLSA-N 1 2 300.720 4.023 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cncc2ccccc21)c1ccc(Cl)cc1F ZINC000809698682 1041216725 /nfs/dbraw/zinc/21/67/25/1041216725.db2.gz FNMKBNFOTWEIKE-IBGZPJMESA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(Cl)cc1F ZINC000809700048 1041218193 /nfs/dbraw/zinc/21/81/93/1041218193.db2.gz WNNJLAUDSVIFLF-SFHVURJKSA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccc(Cl)cc1F ZINC000809698366 1041218489 /nfs/dbraw/zinc/21/84/89/1041218489.db2.gz AWVPXXSKMSUMKI-KRWDZBQOSA-N 1 2 312.775 4.425 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccc(Cl)cc1F ZINC000809700154 1041218521 /nfs/dbraw/zinc/21/85/21/1041218521.db2.gz YTTNKFIZBWUGBG-QGZVFWFLSA-N 1 2 312.775 4.425 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(Cl)cc1F ZINC000809699570 1041218611 /nfs/dbraw/zinc/21/86/11/1041218611.db2.gz QJLAINWMOQGAFN-SFHVURJKSA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc(COC)cc1)c1ccc(Cl)cc1F ZINC000809699343 1041219110 /nfs/dbraw/zinc/21/91/10/1041219110.db2.gz QMTDEWMXVVDXKW-SFHVURJKSA-N 1 2 317.791 4.090 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(Cl)cc1F ZINC000809698781 1041219538 /nfs/dbraw/zinc/21/95/38/1041219538.db2.gz GDAMJRJDJLWTOR-GOSISDBHSA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccc(Cl)cc1F ZINC000809699193 1041219657 /nfs/dbraw/zinc/21/96/57/1041219657.db2.gz PPJSFOLIPQGLCQ-KRWDZBQOSA-N 1 2 317.791 4.260 20 30 DIEDLO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000810141165 1041319417 /nfs/dbraw/zinc/31/94/17/1041319417.db2.gz MVUJFOYSESNXAZ-NSHDSACASA-N 1 2 311.410 4.174 20 30 DIEDLO COc1c(C)c[nH+]c(C/N=C\c2c(O)ccc3ccccc32)c1C ZINC000747613826 1041412221 /nfs/dbraw/zinc/41/22/21/1041412221.db2.gz AYOMLBHMWHAOHE-NHDPSOOVSA-N 1 2 320.392 4.185 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1 ZINC000811517355 1041528555 /nfs/dbraw/zinc/52/85/55/1041528555.db2.gz PJLVRWPWCCXGCD-SFHVURJKSA-N 1 2 321.811 4.194 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001143505440 1041589302 /nfs/dbraw/zinc/58/93/02/1041589302.db2.gz HWKBURAVIOGXSC-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001143505440 1041589305 /nfs/dbraw/zinc/58/93/05/1041589305.db2.gz HWKBURAVIOGXSC-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cnc(-c2ccccc2)s1)c1ccc(F)cc1 ZINC000812794281 1041650967 /nfs/dbraw/zinc/65/09/67/1041650967.db2.gz XPOPZVTXSJJYIZ-SFHVURJKSA-N 1 2 322.408 4.413 20 30 DIEDLO COc1ccccc1SC[C@H](C)C/[NH+]=C/c1ccccc1O ZINC000728785728 1041730095 /nfs/dbraw/zinc/73/00/95/1041730095.db2.gz OVTIOWNSJDYESZ-ONDHQXCVSA-N 1 2 315.438 4.248 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CCC1 ZINC000418142623 1041731542 /nfs/dbraw/zinc/73/15/42/1041731542.db2.gz NGLDUWUPYXSGPB-UHFFFAOYSA-N 1 2 302.324 4.008 20 30 DIEDLO CCC(=[NH+]Nc1cc(F)cc(F)c1)c1ccc(Cl)c(N)c1 ZINC000814813575 1041871160 /nfs/dbraw/zinc/87/11/60/1041871160.db2.gz SXUSTZPGJDHNCD-UHFFFAOYSA-N 1 2 309.747 4.427 20 30 DIEDLO CC(=[NH+]Nc1cccc2cnccc21)c1ccc(Cl)c(N)c1 ZINC000814836583 1041874739 /nfs/dbraw/zinc/87/47/39/1041874739.db2.gz TXSAJFQVGWALOH-UHFFFAOYSA-N 1 2 310.788 4.307 20 30 DIEDLO CC(=[NH+]Nc1ccc(Cl)c(F)c1)c1cc(F)c(N)c(F)c1 ZINC000814861922 1041879140 /nfs/dbraw/zinc/87/91/40/1041879140.db2.gz BIGVOTOXCVLOGE-UHFFFAOYSA-N 1 2 313.710 4.176 20 30 DIEDLO C=CCCCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661537609 1041950165 /nfs/dbraw/zinc/95/01/65/1041950165.db2.gz VWRUARDTIMHYQS-CYBMUJFWSA-N 1 2 313.367 4.379 20 30 DIEDLO C=CCCCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661537609 1041950172 /nfs/dbraw/zinc/95/01/72/1041950172.db2.gz VWRUARDTIMHYQS-CYBMUJFWSA-N 1 2 313.367 4.379 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000212738627 1042005664 /nfs/dbraw/zinc/00/56/64/1042005664.db2.gz MPKQNUTXNNKZEY-UHFFFAOYSA-N 1 2 305.466 4.256 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000212738627 1042005667 /nfs/dbraw/zinc/00/56/67/1042005667.db2.gz MPKQNUTXNNKZEY-UHFFFAOYSA-N 1 2 305.466 4.256 20 30 DIEDLO N#CC1(c2cc[nH+]c(N[C@@H](c3ccccc3)C(F)(F)F)c2)CC1 ZINC001170881320 1042127621 /nfs/dbraw/zinc/12/76/21/1042127621.db2.gz JWEYIBTVKKPZMA-HNNXBMFYSA-N 1 2 317.314 4.352 20 30 DIEDLO C=C(C)C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccccc1 ZINC000279238982 1042285619 /nfs/dbraw/zinc/28/56/19/1042285619.db2.gz FRVKSQBAQGUSJF-UHFFFAOYSA-N 1 2 323.362 4.024 20 30 DIEDLO C=C(C)C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccccc1 ZINC000279238982 1042285623 /nfs/dbraw/zinc/28/56/23/1042285623.db2.gz FRVKSQBAQGUSJF-UHFFFAOYSA-N 1 2 323.362 4.024 20 30 DIEDLO CCCCCCCCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000823361809 1042323001 /nfs/dbraw/zinc/32/30/01/1042323001.db2.gz XZCMZGWCKYWOES-UHFFFAOYSA-N 1 2 323.506 4.210 20 30 DIEDLO CCCCCCCCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000823361809 1042323009 /nfs/dbraw/zinc/32/30/09/1042323009.db2.gz XZCMZGWCKYWOES-UHFFFAOYSA-N 1 2 323.506 4.210 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000823618156 1042335129 /nfs/dbraw/zinc/33/51/29/1042335129.db2.gz OITFBZBOUWYFBN-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000823618156 1042335134 /nfs/dbraw/zinc/33/51/34/1042335134.db2.gz OITFBZBOUWYFBN-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO CCc1cnc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000614168908 1042419993 /nfs/dbraw/zinc/41/99/93/1042419993.db2.gz GCWBKXIPCGKNAF-UHFFFAOYSA-N 1 2 313.470 4.139 20 30 DIEDLO CCc1cnc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000614168908 1042419991 /nfs/dbraw/zinc/41/99/91/1042419991.db2.gz GCWBKXIPCGKNAF-UHFFFAOYSA-N 1 2 313.470 4.139 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000614170624 1042421408 /nfs/dbraw/zinc/42/14/08/1042421408.db2.gz BGVZJSWAJQLJSJ-SFHVURJKSA-N 1 2 312.800 4.254 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000614170624 1042421411 /nfs/dbraw/zinc/42/14/11/1042421411.db2.gz BGVZJSWAJQLJSJ-SFHVURJKSA-N 1 2 312.800 4.254 20 30 DIEDLO CC(C)(C#N)c1ccc(C[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000614178983 1042422735 /nfs/dbraw/zinc/42/27/35/1042422735.db2.gz XRLNKZMKMHGHLL-UHFFFAOYSA-N 1 2 306.400 4.355 20 30 DIEDLO CC(C)(C#N)c1ccc(C[N@@H+](CC(F)F)CC2CCC2)cc1 ZINC000614178983 1042422736 /nfs/dbraw/zinc/42/27/36/1042422736.db2.gz XRLNKZMKMHGHLL-UHFFFAOYSA-N 1 2 306.400 4.355 20 30 DIEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000614182411 1042423874 /nfs/dbraw/zinc/42/38/74/1042423874.db2.gz QDSIWFMNIYITBO-MFKMUULPSA-N 1 2 316.754 4.374 20 30 DIEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000614182411 1042423877 /nfs/dbraw/zinc/42/38/77/1042423877.db2.gz QDSIWFMNIYITBO-MFKMUULPSA-N 1 2 316.754 4.374 20 30 DIEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000419332442 1042471093 /nfs/dbraw/zinc/47/10/93/1042471093.db2.gz HUXYBSGFHJORIB-ZDUSSCGKSA-N 1 2 321.380 4.195 20 30 DIEDLO COc1ccccc1[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccco1 ZINC000151104887 1042499172 /nfs/dbraw/zinc/49/91/72/1042499172.db2.gz HBCRIGHUUILZQY-FQEVSTJZSA-N 1 2 318.376 4.039 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccccc1OCC1CC1 ZINC000513729363 1042613246 /nfs/dbraw/zinc/61/32/46/1042613246.db2.gz NXCNNCXOOSUGRE-UHFFFAOYSA-N 1 2 300.446 4.237 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccccc1OCC1CC1 ZINC000513729363 1042613249 /nfs/dbraw/zinc/61/32/49/1042613249.db2.gz NXCNNCXOOSUGRE-UHFFFAOYSA-N 1 2 300.446 4.237 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1C#N ZINC000016379650 1042632134 /nfs/dbraw/zinc/63/21/34/1042632134.db2.gz SJFGQVSQPMKENB-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1C#N ZINC000016379650 1042632139 /nfs/dbraw/zinc/63/21/39/1042632139.db2.gz SJFGQVSQPMKENB-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO C=CCC[C@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421577479 1042644380 /nfs/dbraw/zinc/64/43/80/1042644380.db2.gz PBVBUAUHFVXSJT-IBGZPJMESA-N 1 2 308.425 4.065 20 30 DIEDLO C=C(C)C(C)(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000424748560 1042750784 /nfs/dbraw/zinc/75/07/84/1042750784.db2.gz IERRZXJVFJDRFC-UHFFFAOYSA-N 1 2 321.424 4.143 20 30 DIEDLO COc1cccc(Cl)c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000514233151 1042776538 /nfs/dbraw/zinc/77/65/38/1042776538.db2.gz VRPGPQFCVBRGSO-LLVKDONJSA-N 1 2 318.779 4.210 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000425535725 1042838764 /nfs/dbraw/zinc/83/87/64/1042838764.db2.gz NYFYFLPUMRAFOB-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000425535725 1042838769 /nfs/dbraw/zinc/83/87/69/1042838769.db2.gz NYFYFLPUMRAFOB-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO CCOc1cccc(/C=[NH+]\CCc2c(C)[nH]c3ccccc32)c1O ZINC000726889979 1042881384 /nfs/dbraw/zinc/88/13/84/1042881384.db2.gz ITHZBBMKXILCCZ-BKUYFWCQSA-N 1 2 322.408 4.242 20 30 DIEDLO Cc1cc(C)c(NC(=O)NCc2nc(C(C)C)cs2)c(C)[nH+]1 ZINC000331304933 1043117534 /nfs/dbraw/zinc/11/75/34/1043117534.db2.gz FVQVYMWIJXLYTE-UHFFFAOYSA-N 1 2 318.446 4.113 20 30 DIEDLO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c(C)s1 ZINC000866222543 1043162422 /nfs/dbraw/zinc/16/24/22/1043162422.db2.gz IXDHQDZESSKGJF-NEPJUHHUSA-N 1 2 300.427 4.354 20 30 DIEDLO Cc1[nH]c2ccc(C[NH2+][C@@H](C)c3cccc(C#N)c3O)cc2c1C ZINC000866243226 1043163295 /nfs/dbraw/zinc/16/32/95/1043163295.db2.gz WSVYCPCIFQMDOB-AWEZNQCLSA-N 1 2 319.408 4.213 20 30 DIEDLO CC(C)OCc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866241769 1043164097 /nfs/dbraw/zinc/16/40/97/1043164097.db2.gz GCTGZFAQZAUCPA-OAHLLOKOSA-N 1 2 324.424 4.040 20 30 DIEDLO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866293450 1043176365 /nfs/dbraw/zinc/17/63/65/1043176365.db2.gz OTRPKIALXNPASF-UGSOOPFHSA-N 1 2 322.408 4.001 20 30 DIEDLO C[C@](O)(CC/[NH+]=C\c1c(O)ccc2ccccc21)c1ccccc1 ZINC000777402787 1043178552 /nfs/dbraw/zinc/17/85/52/1043178552.db2.gz PFLYOOITAWTYOP-FLVGQNKLSA-N 1 2 319.404 4.262 20 30 DIEDLO CSc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866353410 1043185871 /nfs/dbraw/zinc/18/58/71/1043185871.db2.gz SLPNONTYYZKXTH-QWHCGFSZSA-N 1 2 312.438 4.398 20 30 DIEDLO CCSc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866364415 1043189868 /nfs/dbraw/zinc/18/98/68/1043189868.db2.gz OQEWEFIANSHWHL-CYBMUJFWSA-N 1 2 312.438 4.227 20 30 DIEDLO C[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866364928 1043189937 /nfs/dbraw/zinc/18/99/37/1043189937.db2.gz SVJFDTLYVHSKLW-KZULUSFZSA-N 1 2 310.372 4.131 20 30 DIEDLO C[C@@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cccc(C#N)c1O ZINC000866535685 1043218700 /nfs/dbraw/zinc/21/87/00/1043218700.db2.gz HJMAGYXUBGSFAA-OSAQELSMSA-N 1 2 324.346 4.059 20 30 DIEDLO CC[C@@](C)([NH2+]Cc1ccc(Cl)cc1C#N)c1nc(C)cs1 ZINC000187274893 1043243790 /nfs/dbraw/zinc/24/37/90/1043243790.db2.gz DSNLJDGCGVVFNN-MRXNPFEDSA-N 1 2 319.861 4.392 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1nccnc1C)c1ccc(F)c(F)c1 ZINC000188485922 1043255165 /nfs/dbraw/zinc/25/51/65/1043255165.db2.gz BSVMHSDCYPVOKH-LRDDRELGSA-N 1 2 303.356 4.031 20 30 DIEDLO CC1(C)C/C(=C\c2cccc3[nH+]ccn32)C(=O)c2ccccc21 ZINC000794969045 1043256937 /nfs/dbraw/zinc/25/69/37/1043256937.db2.gz QMLUUAMEQNJJKV-WYMLVPIESA-N 1 2 302.377 4.282 20 30 DIEDLO N#Cc1ccc(CNc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)s1 ZINC000192216945 1043266429 /nfs/dbraw/zinc/26/64/29/1043266429.db2.gz AFEGDCJSUOMOCU-XJKSGUPXSA-N 1 2 309.438 4.221 20 30 DIEDLO N#Cc1ccc(CNc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)s1 ZINC000192216945 1043266454 /nfs/dbraw/zinc/26/64/54/1043266454.db2.gz AFEGDCJSUOMOCU-XJKSGUPXSA-N 1 2 309.438 4.221 20 30 DIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cccs1 ZINC000019540401 1043355645 /nfs/dbraw/zinc/35/56/45/1043355645.db2.gz JEZYMIPLPCWORA-UHFFFAOYSA-N 1 2 320.845 4.028 20 30 DIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cccs1 ZINC000019540401 1043355656 /nfs/dbraw/zinc/35/56/56/1043355656.db2.gz JEZYMIPLPCWORA-UHFFFAOYSA-N 1 2 320.845 4.028 20 30 DIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccs1 ZINC000019540389 1043355751 /nfs/dbraw/zinc/35/57/51/1043355751.db2.gz OVFIOHKQXPQXTJ-UHFFFAOYSA-N 1 2 320.845 4.028 20 30 DIEDLO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccs1 ZINC000019540389 1043355763 /nfs/dbraw/zinc/35/57/63/1043355763.db2.gz OVFIOHKQXPQXTJ-UHFFFAOYSA-N 1 2 320.845 4.028 20 30 DIEDLO C=C1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000521744248 1043466772 /nfs/dbraw/zinc/46/67/72/1043466772.db2.gz RANBURDRMYOWCS-IBGZPJMESA-N 1 2 324.399 4.158 20 30 DIEDLO C[C@H](CC(C)(C)C#N)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000925939101 1043496394 /nfs/dbraw/zinc/49/63/94/1043496394.db2.gz BINOTQJUTDMUHQ-OAHLLOKOSA-N 1 2 320.440 4.342 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1cc(OC)ccn1)c1ccc(F)c(F)c1 ZINC000926206518 1043547306 /nfs/dbraw/zinc/54/73/06/1043547306.db2.gz NJRDRZCCPNSRRN-KPZWWZAWSA-N 1 2 318.367 4.336 20 30 DIEDLO CCCNc1ccc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)cc1 ZINC000926287323 1043557864 /nfs/dbraw/zinc/55/78/64/1043557864.db2.gz INLOWECLBBJVKF-LJQANCHMSA-N 1 2 323.440 4.327 20 30 DIEDLO CCC(CC)CN(CCC#N)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000353425534 1043606611 /nfs/dbraw/zinc/60/66/11/1043606611.db2.gz YDTAIJZZKMWACN-UHFFFAOYSA-N 1 2 324.472 4.333 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(C)n1-c1ccccc1 ZINC000353425534 1043606614 /nfs/dbraw/zinc/60/66/14/1043606614.db2.gz YDTAIJZZKMWACN-UHFFFAOYSA-N 1 2 324.472 4.333 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(C)n1-c1ccccc1 ZINC000353425534 1043606618 /nfs/dbraw/zinc/60/66/18/1043606618.db2.gz YDTAIJZZKMWACN-UHFFFAOYSA-N 1 2 324.472 4.333 20 30 DIEDLO CC[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1cccc(C#N)c1O ZINC000926712973 1043620269 /nfs/dbraw/zinc/62/02/69/1043620269.db2.gz UJYIJOXGVJACCT-GNHJJJEISA-N 1 2 320.383 4.273 20 30 DIEDLO N#CC1(C[NH2+][C@H](Cc2ccc(F)cc2Cl)c2ccco2)CC1 ZINC000926872820 1043646446 /nfs/dbraw/zinc/64/64/46/1043646446.db2.gz BLHANSOLTPLUSB-OAHLLOKOSA-N 1 2 318.779 4.249 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)CCC1 ZINC000929487022 1043819128 /nfs/dbraw/zinc/81/91/28/1043819128.db2.gz YVMHUWXBIJUIRB-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCO[C@H](c3ccccc3F)C2)CCC1 ZINC000929487022 1043819146 /nfs/dbraw/zinc/81/91/46/1043819146.db2.gz YVMHUWXBIJUIRB-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO C=CC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Br ZINC000561412037 1043948499 /nfs/dbraw/zinc/94/84/99/1043948499.db2.gz VBUYEGAQJMNFJB-UHFFFAOYSA-N 1 2 308.141 4.086 20 30 DIEDLO C=CC[N@H+](C)Cc1cc(C(F)(F)F)ccc1Br ZINC000561412037 1043948506 /nfs/dbraw/zinc/94/85/06/1043948506.db2.gz VBUYEGAQJMNFJB-UHFFFAOYSA-N 1 2 308.141 4.086 20 30 DIEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CC1 ZINC000357527354 1043960699 /nfs/dbraw/zinc/96/06/99/1043960699.db2.gz JXTUQHVUHFQTHF-UHFFFAOYSA-N 1 2 324.211 4.194 20 30 DIEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CC1 ZINC000357527354 1043960704 /nfs/dbraw/zinc/96/07/04/1043960704.db2.gz JXTUQHVUHFQTHF-UHFFFAOYSA-N 1 2 324.211 4.194 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCOC[C@H]2c2cccc(F)c2)CCC1 ZINC000931017295 1043983765 /nfs/dbraw/zinc/98/37/65/1043983765.db2.gz FMLQKSUVJZMZMW-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCOC[C@H]2c2cccc(F)c2)CCC1 ZINC000931017295 1043983770 /nfs/dbraw/zinc/98/37/70/1043983770.db2.gz FMLQKSUVJZMZMW-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000561956166 1044037208 /nfs/dbraw/zinc/03/72/08/1044037208.db2.gz DMBQYMQITAEKGK-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000561956166 1044037220 /nfs/dbraw/zinc/03/72/20/1044037220.db2.gz DMBQYMQITAEKGK-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000358254326 1044043459 /nfs/dbraw/zinc/04/34/59/1044043459.db2.gz KDKZUZLQFVHPSY-SFHVURJKSA-N 1 2 322.456 4.007 20 30 DIEDLO CCCc1cccc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000358421454 1044068945 /nfs/dbraw/zinc/06/89/45/1044068945.db2.gz AAZXNSQJSYPEHX-UHFFFAOYSA-N 1 2 309.413 4.329 20 30 DIEDLO N#Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCCCC3)[nH+]c1)CC2 ZINC000562909599 1044206293 /nfs/dbraw/zinc/20/62/93/1044206293.db2.gz MWHAEWFWYPYVEK-LJQANCHMSA-N 1 2 318.424 4.043 20 30 DIEDLO C=CC[C@H]1CC[N@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000934470896 1044252923 /nfs/dbraw/zinc/25/29/23/1044252923.db2.gz GTHQZTGXHYQSIU-HNNXBMFYSA-N 1 2 318.417 4.012 20 30 DIEDLO C=CC[C@H]1CC[N@@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000934470896 1044252931 /nfs/dbraw/zinc/25/29/31/1044252931.db2.gz GTHQZTGXHYQSIU-HNNXBMFYSA-N 1 2 318.417 4.012 20 30 DIEDLO C=C(C)c1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000934876766 1044290590 /nfs/dbraw/zinc/29/05/90/1044290590.db2.gz QRZIQHWGUFNILI-QAPCUYQASA-N 1 2 324.428 4.031 20 30 DIEDLO Cc1ccc2c(Nc3ccc(C(C)(C)C#N)nc3)cccc2[nH+]1 ZINC001212794958 1044313545 /nfs/dbraw/zinc/31/35/45/1044313545.db2.gz GWNCQFHLBNZYMW-UHFFFAOYSA-N 1 2 302.381 4.483 20 30 DIEDLO CC(C)(C)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000564852758 1044405830 /nfs/dbraw/zinc/40/58/30/1044405830.db2.gz PKFBGXQZKHTWPX-MLGOLLRUSA-N 1 2 305.372 4.085 20 30 DIEDLO Cc1cc([NH+](C)C)ccc1NCc1cccc(OCCCC#N)c1 ZINC000155549686 1044705935 /nfs/dbraw/zinc/70/59/35/1044705935.db2.gz LYZCAYRTXQUQCF-UHFFFAOYSA-N 1 2 323.440 4.356 20 30 DIEDLO N#CC1(CC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)CCCCC1 ZINC000411216993 1044985350 /nfs/dbraw/zinc/98/53/50/1044985350.db2.gz KTHDNAJSVICQCW-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)CCCCC1 ZINC000411216993 1044985368 /nfs/dbraw/zinc/98/53/68/1044985368.db2.gz KTHDNAJSVICQCW-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447074462 1045096041 /nfs/dbraw/zinc/09/60/41/1045096041.db2.gz GANCKTJIPVGPPZ-UHFFFAOYSA-N 1 2 315.848 4.440 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447074462 1045096052 /nfs/dbraw/zinc/09/60/52/1045096052.db2.gz GANCKTJIPVGPPZ-UHFFFAOYSA-N 1 2 315.848 4.440 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)s1 ZINC000557770023 1045230506 /nfs/dbraw/zinc/23/05/06/1045230506.db2.gz GEUFJZXXYLNHQV-GOSISDBHSA-N 1 2 323.396 4.033 20 30 DIEDLO CC[N@H+](Cc1cc(C(C)(C)C)on1)[C@@H](C)c1ccc(C#N)cc1 ZINC000579531239 1045321325 /nfs/dbraw/zinc/32/13/25/1045321325.db2.gz WXBMXUOQEFNASV-AWEZNQCLSA-N 1 2 311.429 4.427 20 30 DIEDLO CC[N@@H+](Cc1cc(C(C)(C)C)on1)[C@@H](C)c1ccc(C#N)cc1 ZINC000579531239 1045321327 /nfs/dbraw/zinc/32/13/27/1045321327.db2.gz WXBMXUOQEFNASV-AWEZNQCLSA-N 1 2 311.429 4.427 20 30 DIEDLO CC1(C#N)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450436049 1045504769 /nfs/dbraw/zinc/50/47/69/1045504769.db2.gz QMTHIMXHXQUTKS-UHFFFAOYSA-N 1 2 303.768 4.157 20 30 DIEDLO Cc1ccc(Nc2ccc(Br)c(C#N)c2)c(C)[nH+]1 ZINC001203374908 1045580752 /nfs/dbraw/zinc/58/07/52/1045580752.db2.gz NSJURRHFDMCKNX-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccccc1C(F)(F)F ZINC000901417628 1045727513 /nfs/dbraw/zinc/72/75/13/1045727513.db2.gz RBTALSMLCPGTOC-FPLPWBNLSA-N 1 2 308.303 4.379 20 30 DIEDLO Cc1ccc(OC(F)F)c(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901428503 1045731533 /nfs/dbraw/zinc/73/15/33/1045731533.db2.gz LRIKBWPNMSEYHE-WAYWQWQTSA-N 1 2 320.339 4.270 20 30 DIEDLO COc1ccc(Cl)cc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901453363 1045737178 /nfs/dbraw/zinc/73/71/78/1045737178.db2.gz QORRAGAEBVATJZ-AATRIKPKSA-N 1 2 304.777 4.022 20 30 DIEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(SCC(F)F)cc1 ZINC000901482462 1045743013 /nfs/dbraw/zinc/74/30/13/1045743013.db2.gz XTFNHAWJTNKWRK-YVMONPNESA-N 1 2 322.380 4.156 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1/CCOc2cc(Cl)ccc2C1=O ZINC000901489894 1045745413 /nfs/dbraw/zinc/74/54/13/1045745413.db2.gz KMSBWOMXCVPVHG-GHXNOFRVSA-N 1 2 316.788 4.166 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(C(F)(F)F)s1 ZINC000901572187 1045767759 /nfs/dbraw/zinc/76/77/59/1045767759.db2.gz CZJWZONNPSYGBB-ONEGZZNKSA-N 1 2 314.332 4.440 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC001137556569 1045893039 /nfs/dbraw/zinc/89/30/39/1045893039.db2.gz AKYPEVMCNSFEBY-UHFFFAOYSA-N 1 2 313.214 4.104 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC001137556569 1045893052 /nfs/dbraw/zinc/89/30/52/1045893052.db2.gz AKYPEVMCNSFEBY-UHFFFAOYSA-N 1 2 313.214 4.104 20 30 DIEDLO CC(=[NH+]Nc1ccc(C#N)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000754706292 1045914559 /nfs/dbraw/zinc/91/45/59/1045914559.db2.gz HBOJNPLUEPMCEZ-UHFFFAOYSA-N 1 2 319.195 4.283 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001138051615 1046074330 /nfs/dbraw/zinc/07/43/30/1046074330.db2.gz CSHFTRUOBKUYTO-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001138051615 1046074341 /nfs/dbraw/zinc/07/43/41/1046074341.db2.gz CSHFTRUOBKUYTO-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1c(F)cccc1Cl ZINC000902874423 1046097288 /nfs/dbraw/zinc/09/72/88/1046097288.db2.gz FQBKFHULBRKAIC-WDEREUQCSA-N 1 2 303.768 4.158 20 30 DIEDLO CC(C)(C#N)c1ccccc1COc1ccccc1-n1cc[nH+]c1 ZINC000532261237 1046126433 /nfs/dbraw/zinc/12/64/33/1046126433.db2.gz MPEHSGWMZCKJGE-UHFFFAOYSA-N 1 2 317.392 4.252 20 30 DIEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756769399 1046129839 /nfs/dbraw/zinc/12/98/39/1046129839.db2.gz QBUTZPGUMNPZSV-SJCJKPOMSA-N 1 2 316.351 4.366 20 30 DIEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756769335 1046130439 /nfs/dbraw/zinc/13/04/39/1046130439.db2.gz QBUTZPGUMNPZSV-PXAZEXFGSA-N 1 2 316.351 4.366 20 30 DIEDLO C#CC[N@H+](Cc1csc(Cc2ccccc2)n1)C1CCCC1 ZINC000756911806 1046150467 /nfs/dbraw/zinc/15/04/67/1046150467.db2.gz GWKLEDOCRZZWRT-UHFFFAOYSA-N 1 2 310.466 4.112 20 30 DIEDLO C#CC[N@@H+](Cc1csc(Cc2ccccc2)n1)C1CCCC1 ZINC000756911806 1046150473 /nfs/dbraw/zinc/15/04/73/1046150473.db2.gz GWKLEDOCRZZWRT-UHFFFAOYSA-N 1 2 310.466 4.112 20 30 DIEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc(Cl)ccc1OC(F)F ZINC000903099833 1046163095 /nfs/dbraw/zinc/16/30/95/1046163095.db2.gz BFVNHWLWLYEMFE-SECBINFHSA-N 1 2 302.752 4.142 20 30 DIEDLO N#Cc1cccc(C[N@@H+](Cc2ccccc2F)C2CCC2)c1F ZINC001168153410 1046181759 /nfs/dbraw/zinc/18/17/59/1046181759.db2.gz GTJBDOLKURXPQV-UHFFFAOYSA-N 1 2 312.363 4.391 20 30 DIEDLO N#Cc1cccc(C[N@H+](Cc2ccccc2F)C2CCC2)c1F ZINC001168153410 1046181768 /nfs/dbraw/zinc/18/17/68/1046181768.db2.gz GTJBDOLKURXPQV-UHFFFAOYSA-N 1 2 312.363 4.391 20 30 DIEDLO COc1c(Cl)cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001138478704 1046197305 /nfs/dbraw/zinc/19/73/05/1046197305.db2.gz DBJNNRPXGMNSJE-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)cc(C[N@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001138478704 1046197315 /nfs/dbraw/zinc/19/73/15/1046197315.db2.gz DBJNNRPXGMNSJE-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO COc1ccc2[nH]cc(C[N@H+](CCC#N)Cc3ccccc3)c2c1 ZINC001138503866 1046201573 /nfs/dbraw/zinc/20/15/73/1046201573.db2.gz DGNGLNLPCSFIIS-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO COc1ccc2[nH]cc(C[N@@H+](CCC#N)Cc3ccccc3)c2c1 ZINC001138503866 1046201584 /nfs/dbraw/zinc/20/15/84/1046201584.db2.gz DGNGLNLPCSFIIS-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO Cc1cc2cc([C@H](C)[NH2+]Cc3nc(C#N)cs3)oc2cc1C ZINC000903263881 1046212416 /nfs/dbraw/zinc/21/24/16/1046212416.db2.gz ORTPTKLYDXHZGC-LBPRGKRZSA-N 1 2 311.410 4.229 20 30 DIEDLO CC[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1cccc(C#N)c1 ZINC000903264751 1046213918 /nfs/dbraw/zinc/21/39/18/1046213918.db2.gz CJQZCPFZRCCFLI-LNLFQRSKSA-N 1 2 310.372 4.071 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(-c2cccs2)no1 ZINC000127503559 1046227066 /nfs/dbraw/zinc/22/70/66/1046227066.db2.gz CDEWPYWLSRYEDV-NWDGAFQWSA-N 1 2 324.409 4.082 20 30 DIEDLO Fc1ccc(CO[NH+]=Cc2ccc(N3CCCCC3)s2)cc1 ZINC000758144751 1046251466 /nfs/dbraw/zinc/25/14/66/1046251466.db2.gz QGOKEQGHEHCEQH-UHFFFAOYSA-N 1 2 318.417 4.428 20 30 DIEDLO N#CCC[N@@H+](Cc1c(Cl)[nH]c2ccccc21)C1CCCC1 ZINC001138687136 1046269588 /nfs/dbraw/zinc/26/95/88/1046269588.db2.gz PXXLLPVLSVLJIK-UHFFFAOYSA-N 1 2 301.821 4.480 20 30 DIEDLO N#CCC[N@H+](Cc1c(Cl)[nH]c2ccccc21)C1CCCC1 ZINC001138687136 1046269596 /nfs/dbraw/zinc/26/95/96/1046269596.db2.gz PXXLLPVLSVLJIK-UHFFFAOYSA-N 1 2 301.821 4.480 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000758723526 1046287843 /nfs/dbraw/zinc/28/78/43/1046287843.db2.gz XIGPRMIDDBLCBV-SXGZJXTBSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000758723526 1046287851 /nfs/dbraw/zinc/28/78/51/1046287851.db2.gz XIGPRMIDDBLCBV-SXGZJXTBSA-N 1 2 324.399 4.048 20 30 DIEDLO CCOc1ccc(C[N@H+](CCC#N)C2CCCC2)c(OCC)c1 ZINC001138978020 1046347693 /nfs/dbraw/zinc/34/76/93/1046347693.db2.gz LNPQDXMGJHENIT-UHFFFAOYSA-N 1 2 316.445 4.142 20 30 DIEDLO CCOc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(OCC)c1 ZINC001138978020 1046347698 /nfs/dbraw/zinc/34/76/98/1046347698.db2.gz LNPQDXMGJHENIT-UHFFFAOYSA-N 1 2 316.445 4.142 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(F)c(F)c1 ZINC000639057748 1046355992 /nfs/dbraw/zinc/35/59/92/1046355992.db2.gz DXYVDJKVLJWQMN-IRXDYDNUSA-N 1 2 317.383 4.056 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(F)cc(Br)c1 ZINC001139174991 1046403287 /nfs/dbraw/zinc/40/32/87/1046403287.db2.gz LOIWYMSWRFBUJT-UHFFFAOYSA-N 1 2 313.214 4.104 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(Br)c1 ZINC001139174991 1046403292 /nfs/dbraw/zinc/40/32/92/1046403292.db2.gz LOIWYMSWRFBUJT-UHFFFAOYSA-N 1 2 313.214 4.104 20 30 DIEDLO Cn1ccc2cc(C[N@H+](CCC#N)Cc3ccccc3)ccc21 ZINC001139186578 1046404202 /nfs/dbraw/zinc/40/42/02/1046404202.db2.gz TYJMACLUZAWNQD-UHFFFAOYSA-N 1 2 303.409 4.094 20 30 DIEDLO Cn1ccc2cc(C[N@@H+](CCC#N)Cc3ccccc3)ccc21 ZINC001139186578 1046404214 /nfs/dbraw/zinc/40/42/14/1046404214.db2.gz TYJMACLUZAWNQD-UHFFFAOYSA-N 1 2 303.409 4.094 20 30 DIEDLO C=C1CC[NH+](Cc2nnc(-c3cccc4ccccc43)o2)CC1 ZINC000639484110 1046404347 /nfs/dbraw/zinc/40/43/47/1046404347.db2.gz ZRLCHMUWOQKDKX-UHFFFAOYSA-N 1 2 305.381 4.042 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cc4ccccc4o3)n21 ZINC000748993537 1046421628 /nfs/dbraw/zinc/42/16/28/1046421628.db2.gz ABFNJUVRKVSVGD-KTKRTIGZSA-N 1 2 302.333 4.285 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417508 1046449565 /nfs/dbraw/zinc/44/95/65/1046449565.db2.gz KLIDBAPDPDFMJV-ZDUSSCGKSA-N 1 2 300.789 4.336 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417508 1046449569 /nfs/dbraw/zinc/44/95/69/1046449569.db2.gz KLIDBAPDPDFMJV-ZDUSSCGKSA-N 1 2 300.789 4.336 20 30 DIEDLO N#Cc1csc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000127061891 1046480219 /nfs/dbraw/zinc/48/02/19/1046480219.db2.gz KIFQRDHDOGVBPS-UHFFFAOYSA-N 1 2 314.801 4.071 20 30 DIEDLO N#Cc1cccc2c(C[N@@H+]3Cc4cccc(Cl)c4C3)c[nH]c21 ZINC001139704662 1046501895 /nfs/dbraw/zinc/50/18/95/1046501895.db2.gz AWQQRMZQDSNROY-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO N#Cc1cccc2c(C[N@H+]3Cc4cccc(Cl)c4C3)c[nH]c21 ZINC001139704662 1046501900 /nfs/dbraw/zinc/50/19/00/1046501900.db2.gz AWQQRMZQDSNROY-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO Fc1c[nH+]ccc1NC(CCC(F)(F)F)CCC(F)(F)F ZINC000641661204 1046504403 /nfs/dbraw/zinc/50/44/03/1046504403.db2.gz QRWOJVKEPAYOAC-UHFFFAOYSA-N 1 2 318.236 4.108 20 30 DIEDLO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139878728 1046540727 /nfs/dbraw/zinc/54/07/27/1046540727.db2.gz VQUJRXFHNXUWEK-IBGZPJMESA-N 1 2 324.399 4.181 20 30 DIEDLO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139878728 1046540738 /nfs/dbraw/zinc/54/07/38/1046540738.db2.gz VQUJRXFHNXUWEK-IBGZPJMESA-N 1 2 324.399 4.181 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)c(F)c1 ZINC001140137351 1046596948 /nfs/dbraw/zinc/59/69/48/1046596948.db2.gz DLICUJOUFPGPNA-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)c(F)c1 ZINC001140137351 1046596960 /nfs/dbraw/zinc/59/69/60/1046596960.db2.gz DLICUJOUFPGPNA-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000130213454 1046619982 /nfs/dbraw/zinc/61/99/82/1046619982.db2.gz CJUFXYIBPQVMHV-ZIAGYGMSSA-N 1 2 318.380 4.020 20 30 DIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cccc(Cl)c1 ZINC000783695741 1046622812 /nfs/dbraw/zinc/62/28/12/1046622812.db2.gz ILEYODHTMXMLED-PLNGDYQASA-N 1 2 314.797 4.483 20 30 DIEDLO CCOc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783699699 1046623624 /nfs/dbraw/zinc/62/36/24/1046623624.db2.gz FTPZAVYSWJBLMB-FPLPWBNLSA-N 1 2 324.405 4.229 20 30 DIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc(F)c(F)c1 ZINC000783699155 1046623789 /nfs/dbraw/zinc/62/37/89/1046623789.db2.gz GOAQPQASTSYDPU-RQOWECAXSA-N 1 2 316.332 4.108 20 30 DIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cc(F)ccc1F ZINC000783700419 1046623897 /nfs/dbraw/zinc/62/38/97/1046623897.db2.gz DKDBFLZHXIAOQG-DUXPYHPUSA-N 1 2 316.332 4.108 20 30 DIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cc(F)cc(F)c1 ZINC000783711181 1046626738 /nfs/dbraw/zinc/62/67/38/1046626738.db2.gz VDCYNCPIXMCCBP-OWOJBTEDSA-N 1 2 316.332 4.108 20 30 DIEDLO O=C1c2cc(F)ccc2CC/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783713577 1046628084 /nfs/dbraw/zinc/62/80/84/1046628084.db2.gz RAFQKUJRBGLVSD-QPEQYQDCSA-N 1 2 324.380 4.285 20 30 DIEDLO Clc1ccccc1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783776117 1046633036 /nfs/dbraw/zinc/63/30/36/1046633036.db2.gz FPNAZGGRIKAIFP-UHFFFAOYSA-N 1 2 302.790 4.033 20 30 DIEDLO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2coc(CC)n2)cc1 ZINC000834898950 1046708877 /nfs/dbraw/zinc/70/88/77/1046708877.db2.gz CPTDWYJYYXNBHZ-CYBMUJFWSA-N 1 2 320.820 4.219 20 30 DIEDLO N#CCC1CC[NH+](Cc2c(Cl)ccc(F)c2Cl)CC1 ZINC001137358573 1046748450 /nfs/dbraw/zinc/74/84/50/1046748450.db2.gz SZFSAJFCWUZKKR-UHFFFAOYSA-N 1 2 301.192 4.258 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140602179 1046805247 /nfs/dbraw/zinc/80/52/47/1046805247.db2.gz FZZLMILTVIIMOA-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140602179 1046805265 /nfs/dbraw/zinc/80/52/65/1046805265.db2.gz FZZLMILTVIIMOA-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCSc3ccccc3C2)c1 ZINC001140604016 1046809800 /nfs/dbraw/zinc/80/98/00/1046809800.db2.gz NKWBVNSKYRHRME-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCSc3ccccc3C2)c1 ZINC001140604016 1046809818 /nfs/dbraw/zinc/80/98/18/1046809818.db2.gz NKWBVNSKYRHRME-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO N#Cc1ccccc1OC1C[NH+](Cc2csc3ccccc23)C1 ZINC001140639738 1046826642 /nfs/dbraw/zinc/82/66/42/1046826642.db2.gz OEMMSELLROKRMT-UHFFFAOYSA-N 1 2 320.417 4.036 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000161942483 1046917758 /nfs/dbraw/zinc/91/77/58/1046917758.db2.gz DHLSPXRORXSNQX-OAHLLOKOSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000161942483 1046917768 /nfs/dbraw/zinc/91/77/68/1046917768.db2.gz DHLSPXRORXSNQX-OAHLLOKOSA-N 1 2 312.388 4.139 20 30 DIEDLO CCOc1ccc([N@H+](CC)CCCC2(C#N)CCOCC2)cc1 ZINC000799127981 1047001956 /nfs/dbraw/zinc/00/19/56/1047001956.db2.gz FFPXDFJJGKZTLX-UHFFFAOYSA-N 1 2 316.445 4.012 20 30 DIEDLO CCOc1ccc([N@@H+](CC)CCCC2(C#N)CCOCC2)cc1 ZINC000799127981 1047001967 /nfs/dbraw/zinc/00/19/67/1047001967.db2.gz FFPXDFJJGKZTLX-UHFFFAOYSA-N 1 2 316.445 4.012 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(OC(C)C)cc3)c[nH+]c12 ZINC000303913991 1047003497 /nfs/dbraw/zinc/00/34/97/1047003497.db2.gz SFAZFMGKCXDLBF-DHZHZOJOSA-N 1 2 320.392 4.326 20 30 DIEDLO CSc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000303949596 1047008364 /nfs/dbraw/zinc/00/83/64/1047008364.db2.gz YWHSYZJJBKRHKO-JXMROGBWSA-N 1 2 308.406 4.261 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317424 1047088687 /nfs/dbraw/zinc/08/86/87/1047088687.db2.gz ZGGNHIGRCPFJJX-INIZCTEOSA-N 1 2 310.372 4.354 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317424 1047088701 /nfs/dbraw/zinc/08/87/01/1047088701.db2.gz ZGGNHIGRCPFJJX-INIZCTEOSA-N 1 2 310.372 4.354 20 30 DIEDLO COc1ccc2c(c1)C[N@@H+](CC1(C#N)CC1)[C@@H](c1ccccc1)C2 ZINC000537247841 1047155804 /nfs/dbraw/zinc/15/58/04/1047155804.db2.gz HKDJEXUGRZYCQE-HXUWFJFHSA-N 1 2 318.420 4.098 20 30 DIEDLO COc1ccc2c(c1)C[N@H+](CC1(C#N)CC1)[C@@H](c1ccccc1)C2 ZINC000537247841 1047155808 /nfs/dbraw/zinc/15/58/08/1047155808.db2.gz HKDJEXUGRZYCQE-HXUWFJFHSA-N 1 2 318.420 4.098 20 30 DIEDLO CC(C)c1nc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cs1 ZINC001116938789 1047191629 /nfs/dbraw/zinc/19/16/29/1047191629.db2.gz UQSKFMITOMEFGO-UHFFFAOYSA-N 1 2 305.834 4.081 20 30 DIEDLO C=C(Br)C[NH2+]Cc1csc(Cl)c1Cl ZINC000388295671 1047286508 /nfs/dbraw/zinc/28/65/08/1047286508.db2.gz KYUIMVZONQLBKG-UHFFFAOYSA-N 1 2 301.036 4.053 20 30 DIEDLO COc1cccc(N[NH+]=Cc2ccc(N3CCCCC3)s2)c1 ZINC000725852548 1047322098 /nfs/dbraw/zinc/32/20/98/1047322098.db2.gz ACVFMOJDVVEQOY-UHFFFAOYSA-N 1 2 315.442 4.193 20 30 DIEDLO C=CC[NH+](CC=C)Cc1cc2cc(F)c(F)cc2nc1Cl ZINC001142044590 1047358508 /nfs/dbraw/zinc/35/85/08/1047358508.db2.gz LVYWDGGQJFTJHL-UHFFFAOYSA-N 1 2 308.759 4.340 20 30 DIEDLO C=CCCn1cc(C[N@@H+](CC)[C@@H](C)c2cc3ccccc3o2)nn1 ZINC000653505538 1047394809 /nfs/dbraw/zinc/39/48/09/1047394809.db2.gz SOTNFTLKDYCLAI-HNNXBMFYSA-N 1 2 324.428 4.184 20 30 DIEDLO C=CCCn1cc(C[N@H+](CC)[C@@H](C)c2cc3ccccc3o2)nn1 ZINC000653505538 1047394817 /nfs/dbraw/zinc/39/48/17/1047394817.db2.gz SOTNFTLKDYCLAI-HNNXBMFYSA-N 1 2 324.428 4.184 20 30 DIEDLO C=CC[N@H+](Cc1cnc(C2CCC2)s1)Cc1cccc(C#N)c1 ZINC000092504593 1047536138 /nfs/dbraw/zinc/53/61/38/1047536138.db2.gz CVVJSRNMSONEEM-UHFFFAOYSA-N 1 2 323.465 4.470 20 30 DIEDLO C=CC[N@@H+](Cc1cnc(C2CCC2)s1)Cc1cccc(C#N)c1 ZINC000092504593 1047536145 /nfs/dbraw/zinc/53/61/45/1047536145.db2.gz CVVJSRNMSONEEM-UHFFFAOYSA-N 1 2 323.465 4.470 20 30 DIEDLO CC(C)[N@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143163768 1047536701 /nfs/dbraw/zinc/53/67/01/1047536701.db2.gz LWKVPVHRPJQLGH-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC(C)[N@@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143163768 1047536710 /nfs/dbraw/zinc/53/67/10/1047536710.db2.gz LWKVPVHRPJQLGH-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000093091079 1047543158 /nfs/dbraw/zinc/54/31/58/1047543158.db2.gz SXMXETJOTPGBNE-OAHLLOKOSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000093091079 1047543163 /nfs/dbraw/zinc/54/31/63/1047543163.db2.gz SXMXETJOTPGBNE-OAHLLOKOSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000093091049 1047543185 /nfs/dbraw/zinc/54/31/85/1047543185.db2.gz WMBDLURHHLDJMZ-OAHLLOKOSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000093091049 1047543188 /nfs/dbraw/zinc/54/31/88/1047543188.db2.gz WMBDLURHHLDJMZ-OAHLLOKOSA-N 1 2 312.388 4.139 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001143264992 1047546037 /nfs/dbraw/zinc/54/60/37/1047546037.db2.gz UEEHLVNGYDVOBU-UHFFFAOYSA-N 1 2 318.314 4.240 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001143264992 1047546043 /nfs/dbraw/zinc/54/60/43/1047546043.db2.gz UEEHLVNGYDVOBU-UHFFFAOYSA-N 1 2 318.314 4.240 20 30 DIEDLO CCOc1cccc(CCNc2[nH+]ccc3ccc(C#N)cc32)c1 ZINC001155871533 1047690794 /nfs/dbraw/zinc/69/07/94/1047690794.db2.gz ZPCFXWLAFZOWBS-UHFFFAOYSA-N 1 2 317.392 4.160 20 30 DIEDLO Cc1ccc(Nc2cccc(C#N)c2Br)c(C)[nH+]1 ZINC001203377055 1047709957 /nfs/dbraw/zinc/70/99/57/1047709957.db2.gz ZZYIXIMQAIUNGK-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3c(F)cccc3F)CC2)cc1 ZINC000538824334 1047715330 /nfs/dbraw/zinc/71/53/30/1047715330.db2.gz XRJNDBUHPHHVFK-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3c(F)cccc3F)CC2)cc1 ZINC000538824334 1047715333 /nfs/dbraw/zinc/71/53/33/1047715333.db2.gz XRJNDBUHPHHVFK-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO CC(C)c1ccc(N2CCC(c3ccc(C#N)cc3)CC2)[nH+]c1 ZINC001156765174 1047721927 /nfs/dbraw/zinc/72/19/27/1047721927.db2.gz ATBPSIGCXWEVFC-UHFFFAOYSA-N 1 2 305.425 4.461 20 30 DIEDLO Cc1cc(N2CCC(C#Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC001157531313 1047745795 /nfs/dbraw/zinc/74/57/95/1047745795.db2.gz MRZBRCZMQWRUGD-UHFFFAOYSA-N 1 2 319.452 4.177 20 30 DIEDLO CC[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1cccc(C#N)c1O ZINC000927040325 1047771225 /nfs/dbraw/zinc/77/12/25/1047771225.db2.gz UMZCUWUYIPMGSO-HOCLYGCPSA-N 1 2 316.470 4.123 20 30 DIEDLO CC1(C)CC(=O)C=C(Nc2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001158953973 1047806004 /nfs/dbraw/zinc/80/60/04/1047806004.db2.gz ZRTYXAYHPQTUMX-UHFFFAOYSA-N 1 2 324.428 4.231 20 30 DIEDLO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001197621795 1047849497 /nfs/dbraw/zinc/84/94/97/1047849497.db2.gz KMTUAZDETTVNIV-INIZCTEOSA-N 1 2 308.425 4.363 20 30 DIEDLO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001197621795 1047849518 /nfs/dbraw/zinc/84/95/18/1047849518.db2.gz KMTUAZDETTVNIV-INIZCTEOSA-N 1 2 308.425 4.363 20 30 DIEDLO C=CC[N@H+](Cc1noc(-c2c(F)cccc2Cl)n1)C(C)(C)C ZINC001174642048 1047919023 /nfs/dbraw/zinc/91/90/23/1047919023.db2.gz OROOWILRWUSJMZ-UHFFFAOYSA-N 1 2 323.799 4.316 20 30 DIEDLO C=CC[N@@H+](Cc1noc(-c2c(F)cccc2Cl)n1)C(C)(C)C ZINC001174642048 1047919033 /nfs/dbraw/zinc/91/90/33/1047919033.db2.gz OROOWILRWUSJMZ-UHFFFAOYSA-N 1 2 323.799 4.316 20 30 DIEDLO N#CCc1cc[nH+]c(N[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)c1 ZINC001160509588 1048063569 /nfs/dbraw/zinc/06/35/69/1048063569.db2.gz WIZKIYFGEWYRCD-ONCXSQPRSA-N 1 2 303.409 4.142 20 30 DIEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)c(C(F)(F)F)c1 ZINC001213031675 1048119747 /nfs/dbraw/zinc/11/97/47/1048119747.db2.gz MCTNCDAKIVSERK-UHFFFAOYSA-N 1 2 302.259 4.197 20 30 DIEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001185043376 1048121682 /nfs/dbraw/zinc/12/16/82/1048121682.db2.gz MRURGAJFHHNMAM-UHFFFAOYSA-N 1 2 316.767 4.090 20 30 DIEDLO Cc1ccc(C#N)c(Nc2ccc([NH+]3CCC(C)CC3)cc2)n1 ZINC001185459571 1048182877 /nfs/dbraw/zinc/18/28/77/1048182877.db2.gz HKLNNZDSWMDRPF-UHFFFAOYSA-N 1 2 306.413 4.242 20 30 DIEDLO CN(C)c1ccc(Nc2oc(-c3ccccc3)cc2C#N)c[nH+]1 ZINC001175341435 1048250431 /nfs/dbraw/zinc/25/04/31/1048250431.db2.gz RAZPWHFEUDLZSV-UHFFFAOYSA-N 1 2 304.353 4.023 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](C/C(Br)=C/c2ccccc2)CC1 ZINC001201461271 1048268978 /nfs/dbraw/zinc/26/89/78/1048268978.db2.gz YNTFTZFAOWVGJZ-CNYBTUBUSA-N 1 2 319.246 4.048 20 30 DIEDLO N#C[C@H]1CCC[N@H+](C/C(Br)=C/c2ccccc2)CC1 ZINC001201461271 1048268984 /nfs/dbraw/zinc/26/89/84/1048268984.db2.gz YNTFTZFAOWVGJZ-CNYBTUBUSA-N 1 2 319.246 4.048 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1NCc1ccc(C(F)(F)F)n1C ZINC001162752548 1048347562 /nfs/dbraw/zinc/34/75/62/1048347562.db2.gz VUKNAJLOEFHPDE-UHFFFAOYSA-N 1 2 309.335 4.088 20 30 DIEDLO C=CC[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC001162910192 1048386603 /nfs/dbraw/zinc/38/66/03/1048386603.db2.gz XHWPYQQBNQKIEP-QGZVFWFLSA-N 1 2 308.429 4.196 20 30 DIEDLO C=CC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC001162910192 1048386618 /nfs/dbraw/zinc/38/66/18/1048386618.db2.gz XHWPYQQBNQKIEP-QGZVFWFLSA-N 1 2 308.429 4.196 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3CCc4c3c(F)ccc4F)c2c1 ZINC001162931443 1048390710 /nfs/dbraw/zinc/39/07/10/1048390710.db2.gz GPEORDXHKXQPOX-QGZVFWFLSA-N 1 2 321.330 4.484 20 30 DIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cscc1Cl)C2 ZINC000600213356 1048391869 /nfs/dbraw/zinc/39/18/69/1048391869.db2.gz UTWVBWZDGKTGLI-UHFFFAOYSA-N 1 2 302.830 4.026 20 30 DIEDLO N#CCc1cccc2c1CC[N@H+](Cc1cscc1Cl)C2 ZINC000600213356 1048391877 /nfs/dbraw/zinc/39/18/77/1048391877.db2.gz UTWVBWZDGKTGLI-UHFFFAOYSA-N 1 2 302.830 4.026 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2cc(C#N)c(F)cc2Br)c1 ZINC001203663809 1048405746 /nfs/dbraw/zinc/40/57/46/1048405746.db2.gz SIKNNCYHHAUZPC-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO C#C[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)c1ccc(Cl)cc1F ZINC001163273996 1048446507 /nfs/dbraw/zinc/44/65/07/1048446507.db2.gz XAIDPMHGENQSBP-OAHLLOKOSA-N 1 2 315.779 4.241 20 30 DIEDLO CC(C)c1cc(NCc2ccc(CC#N)cc2)nc(C(C)C)[nH+]1 ZINC001163591351 1048492758 /nfs/dbraw/zinc/49/27/58/1048492758.db2.gz UGDRNWSUPBHJTJ-UHFFFAOYSA-N 1 2 308.429 4.402 20 30 DIEDLO CC(C)(Cc1ccc(F)cc1)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001163853221 1048538121 /nfs/dbraw/zinc/53/81/21/1048538121.db2.gz RQOBOOJGHBMSBW-UHFFFAOYSA-N 1 2 309.388 4.209 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1N[C@H](c1cccnc1)C(F)(F)F ZINC001164175738 1048597044 /nfs/dbraw/zinc/59/70/44/1048597044.db2.gz JMDHZAHZZJNRNC-CQSZACIVSA-N 1 2 307.319 4.229 20 30 DIEDLO N#Cc1ccc2c(c1)CCN(c1[nH+]ccc3cc(Cl)ccc31)C2 ZINC001164477762 1048632726 /nfs/dbraw/zinc/63/27/26/1048632726.db2.gz PAJTYBVTZRVTFK-UHFFFAOYSA-N 1 2 319.795 4.323 20 30 DIEDLO CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(Cl)c1O ZINC000850488655 1048671317 /nfs/dbraw/zinc/67/13/17/1048671317.db2.gz OJTXDRLKDJVNFP-QGZVFWFLSA-N 1 2 314.816 4.201 20 30 DIEDLO Cc1nc(N(C)Cc2ccc(C#N)cc2)cc(C2CCCCC2)[nH+]1 ZINC001166540402 1048759708 /nfs/dbraw/zinc/75/97/08/1048759708.db2.gz VAQXWCONKYRYBX-UHFFFAOYSA-N 1 2 320.440 4.341 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000775398717 1048763230 /nfs/dbraw/zinc/76/32/30/1048763230.db2.gz LGVFNWLPVCFZTJ-SFHVURJKSA-N 1 2 302.377 4.196 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000775398716 1048764203 /nfs/dbraw/zinc/76/42/03/1048764203.db2.gz LGVFNWLPVCFZTJ-GOSISDBHSA-N 1 2 302.377 4.196 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1csc([C@@H](C)OCC)n1)c1ccccc1 ZINC000775398361 1048764223 /nfs/dbraw/zinc/76/42/23/1048764223.db2.gz HJJJAZRVALDILC-RHSMWYFYSA-N 1 2 314.454 4.095 20 30 DIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2cccc(F)c2F)o1)C1CC1 ZINC000483270878 1048767815 /nfs/dbraw/zinc/76/78/15/1048767815.db2.gz OIYXLURDNVYNEG-LBPRGKRZSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)C1CC1 ZINC000483270878 1048767829 /nfs/dbraw/zinc/76/78/29/1048767829.db2.gz OIYXLURDNVYNEG-LBPRGKRZSA-N 1 2 316.351 4.349 20 30 DIEDLO N#CCC[N@@H+](Cc1c[nH]c2c1cccc2F)Cc1ccccc1 ZINC001137050230 1048807727 /nfs/dbraw/zinc/80/77/27/1048807727.db2.gz WHZDTYOUVQMDIM-UHFFFAOYSA-N 1 2 307.372 4.223 20 30 DIEDLO N#CCC[N@H+](Cc1c[nH]c2c1cccc2F)Cc1ccccc1 ZINC001137050230 1048807737 /nfs/dbraw/zinc/80/77/37/1048807737.db2.gz WHZDTYOUVQMDIM-UHFFFAOYSA-N 1 2 307.372 4.223 20 30 DIEDLO N#Cc1ccc(C=CNc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001203298248 1048861254 /nfs/dbraw/zinc/86/12/54/1048861254.db2.gz JVHRDVOOYCMHEA-ZHACJKMWSA-N 1 2 304.397 4.026 20 30 DIEDLO CNc1ccc(Nc2ccccc2-c2ccc(C#N)cc2)c[nH+]1 ZINC001203462508 1048907245 /nfs/dbraw/zinc/90/72/45/1048907245.db2.gz VOQFQUJUZWJWNT-UHFFFAOYSA-N 1 2 300.365 4.406 20 30 DIEDLO CC(C)n1ncc(C#N)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203718183 1048977374 /nfs/dbraw/zinc/97/73/74/1048977374.db2.gz VBDNMOKPHTXBHF-UHFFFAOYSA-N 1 2 309.417 4.070 20 30 DIEDLO COc1cc(C#N)ccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203719532 1048979419 /nfs/dbraw/zinc/97/94/19/1048979419.db2.gz OTSQIZYVWRQHKN-UHFFFAOYSA-N 1 2 307.397 4.301 20 30 DIEDLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000776767450 1049002171 /nfs/dbraw/zinc/00/21/71/1049002171.db2.gz ZAFBYUBIPGPEFF-FQEVSTJZSA-N 1 2 305.425 4.422 20 30 DIEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001203885792 1049023195 /nfs/dbraw/zinc/02/31/95/1049023195.db2.gz UVZMUYJSLXONFE-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001203885792 1049023203 /nfs/dbraw/zinc/02/32/03/1049023203.db2.gz UVZMUYJSLXONFE-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO Cc1cc(CNc2ccc(OC(F)(F)F)c(C#N)c2)cc(C)[nH+]1 ZINC001178565790 1049063185 /nfs/dbraw/zinc/06/31/85/1049063185.db2.gz DIEVFVCABPUCHU-UHFFFAOYSA-N 1 2 321.302 4.081 20 30 DIEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001179478476 1049171499 /nfs/dbraw/zinc/17/14/99/1049171499.db2.gz CAALJLFIMBRUIJ-NSHDSACASA-N 1 2 308.303 4.357 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001204484489 1049175148 /nfs/dbraw/zinc/17/51/48/1049175148.db2.gz HOJFRONRVLMPII-UHFFFAOYSA-N 1 2 302.315 4.360 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001204484489 1049175150 /nfs/dbraw/zinc/17/51/50/1049175150.db2.gz HOJFRONRVLMPII-UHFFFAOYSA-N 1 2 302.315 4.360 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204717811 1049240129 /nfs/dbraw/zinc/24/01/29/1049240129.db2.gz RVAPERCKHKFENW-QGZVFWFLSA-N 1 2 300.789 4.336 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204717811 1049240137 /nfs/dbraw/zinc/24/01/37/1049240137.db2.gz RVAPERCKHKFENW-QGZVFWFLSA-N 1 2 300.789 4.336 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204717809 1049241015 /nfs/dbraw/zinc/24/10/15/1049241015.db2.gz RVAPERCKHKFENW-KRWDZBQOSA-N 1 2 300.789 4.336 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204717809 1049241024 /nfs/dbraw/zinc/24/10/24/1049241024.db2.gz RVAPERCKHKFENW-KRWDZBQOSA-N 1 2 300.789 4.336 20 30 DIEDLO C#CC[N@H+](CC#CC)Cc1cc(-c2ccccc2C)ccc1OC ZINC001204768496 1049258827 /nfs/dbraw/zinc/25/88/27/1049258827.db2.gz JQGPPDCGQYQEAE-UHFFFAOYSA-N 1 2 317.432 4.129 20 30 DIEDLO C#CC[N@@H+](CC#CC)Cc1cc(-c2ccccc2C)ccc1OC ZINC001204768496 1049258845 /nfs/dbraw/zinc/25/88/45/1049258845.db2.gz JQGPPDCGQYQEAE-UHFFFAOYSA-N 1 2 317.432 4.129 20 30 DIEDLO CCCCCCCOC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001193985559 1049294075 /nfs/dbraw/zinc/29/40/75/1049294075.db2.gz GRCKDWYWKPGYKI-UHFFFAOYSA-N 1 2 301.390 4.391 20 30 DIEDLO N#Cc1ccc(-c2ccccc2Nc2ccn3cc[nH+]c3c2)nc1 ZINC001205005888 1049340454 /nfs/dbraw/zinc/34/04/54/1049340454.db2.gz NRRUUUYCEMMGMJ-UHFFFAOYSA-N 1 2 311.348 4.012 20 30 DIEDLO C=CCC[C@@H](CCC)[NH2+]Cc1cccc(Br)c1O ZINC001181463959 1049480869 /nfs/dbraw/zinc/48/08/69/1049480869.db2.gz IAOVHHZXLOVTFR-CYBMUJFWSA-N 1 2 312.251 4.379 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccc(F)cc1 ZINC001182020516 1049565153 /nfs/dbraw/zinc/56/51/53/1049565153.db2.gz LHBJPQZQSNHCHN-INIZCTEOSA-N 1 2 323.289 4.030 20 30 DIEDLO CCCCCCC[NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001196736488 1049685924 /nfs/dbraw/zinc/68/59/24/1049685924.db2.gz MSJDKYJTQGPISI-GOSISDBHSA-N 1 2 319.489 4.499 20 30 DIEDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000489543945 1049765316 /nfs/dbraw/zinc/76/53/16/1049765316.db2.gz AQOVGFNLSFTIMF-MRXNPFEDSA-N 1 2 300.402 4.268 20 30 DIEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000489543945 1049765325 /nfs/dbraw/zinc/76/53/25/1049765325.db2.gz AQOVGFNLSFTIMF-MRXNPFEDSA-N 1 2 300.402 4.268 20 30 DIEDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000489543944 1049766309 /nfs/dbraw/zinc/76/63/09/1049766309.db2.gz AQOVGFNLSFTIMF-INIZCTEOSA-N 1 2 300.402 4.268 20 30 DIEDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000489543944 1049766315 /nfs/dbraw/zinc/76/63/15/1049766315.db2.gz AQOVGFNLSFTIMF-INIZCTEOSA-N 1 2 300.402 4.268 20 30 DIEDLO CCCCCCC/C=C/C[N@@H+]1CCc2onc(COC)c2C1 ZINC001208118061 1049974254 /nfs/dbraw/zinc/97/42/54/1049974254.db2.gz CDUXQVGAETXEFN-MDZDMXLPSA-N 1 2 306.450 4.096 20 30 DIEDLO CCCCCCC/C=C/C[N@H+]1CCc2onc(COC)c2C1 ZINC001208118061 1049974263 /nfs/dbraw/zinc/97/42/63/1049974263.db2.gz CDUXQVGAETXEFN-MDZDMXLPSA-N 1 2 306.450 4.096 20 30 DIEDLO N#Cc1ccc(C[NH2+]C2(c3ccccc3F)CC2)c(Cl)c1 ZINC000439430190 1049982804 /nfs/dbraw/zinc/98/28/04/1049982804.db2.gz KTIGXCXSDVTNAI-UHFFFAOYSA-N 1 2 300.764 4.130 20 30 DIEDLO C=CC[NH+](CC=C)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000572504317 1050003808 /nfs/dbraw/zinc/00/38/08/1050003808.db2.gz KVOIKJPRHPRSFQ-HXUWFJFHSA-N 1 2 320.436 4.349 20 30 DIEDLO C[C@@H](C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710082 1050006108 /nfs/dbraw/zinc/00/61/08/1050006108.db2.gz NSEDMYHEPGTZPK-LIRRHRJNSA-N 1 2 323.461 4.217 20 30 DIEDLO C[C@@H](C[N@H+]1CC[C@@H]2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710082 1050006112 /nfs/dbraw/zinc/00/61/12/1050006112.db2.gz NSEDMYHEPGTZPK-LIRRHRJNSA-N 1 2 323.461 4.217 20 30 DIEDLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cccc(C#N)c3)nc2c1 ZINC000589162764 1050024035 /nfs/dbraw/zinc/02/40/35/1050024035.db2.gz LYQLGYBVESHJEE-LJQANCHMSA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3cccc(C#N)c3)nc2c1 ZINC000589162764 1050024040 /nfs/dbraw/zinc/02/40/40/1050024040.db2.gz LYQLGYBVESHJEE-LJQANCHMSA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3cccc(C#N)c3)[nH]c2c1 ZINC000589162764 1050024046 /nfs/dbraw/zinc/02/40/46/1050024046.db2.gz LYQLGYBVESHJEE-LJQANCHMSA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3cccc(C#N)c3)[nH]c2c1 ZINC000589162764 1050024050 /nfs/dbraw/zinc/02/40/50/1050024050.db2.gz LYQLGYBVESHJEE-LJQANCHMSA-N 1 2 316.408 4.080 20 30 DIEDLO C[C@@H](c1ccccc1)[N@H+](Cc1ccon1)Cc1ccc(C#N)cc1 ZINC001209567378 1050068040 /nfs/dbraw/zinc/06/80/40/1050068040.db2.gz IEBMBNOSZXZKJW-INIZCTEOSA-N 1 2 317.392 4.310 20 30 DIEDLO C[C@@H](c1ccccc1)[N@@H+](Cc1ccon1)Cc1ccc(C#N)cc1 ZINC001209567378 1050068045 /nfs/dbraw/zinc/06/80/45/1050068045.db2.gz IEBMBNOSZXZKJW-INIZCTEOSA-N 1 2 317.392 4.310 20 30 DIEDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(F)c1C#N ZINC000589983544 1050069927 /nfs/dbraw/zinc/06/99/27/1050069927.db2.gz XCHZRNXDSWXDML-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(F)c1C#N ZINC000589983544 1050069931 /nfs/dbraw/zinc/06/99/31/1050069931.db2.gz XCHZRNXDSWXDML-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO Cc1cccn2cc(C[N@H+](CCC#N)C3CCCCCCC3)nc12 ZINC001209739789 1050079568 /nfs/dbraw/zinc/07/95/68/1050079568.db2.gz SMZPFQHDXZCQHC-UHFFFAOYSA-N 1 2 324.472 4.471 20 30 DIEDLO Cc1cccn2cc(C[N@@H+](CCC#N)C3CCCCCCC3)nc12 ZINC001209739789 1050079576 /nfs/dbraw/zinc/07/95/76/1050079576.db2.gz SMZPFQHDXZCQHC-UHFFFAOYSA-N 1 2 324.472 4.471 20 30 DIEDLO C=C(C)c1ccccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209929584 1050108194 /nfs/dbraw/zinc/10/81/94/1050108194.db2.gz DOUMWZHMTAGXQE-UHFFFAOYSA-N 1 2 308.425 4.296 20 30 DIEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1C(F)(F)F ZINC000591255972 1050129925 /nfs/dbraw/zinc/12/99/25/1050129925.db2.gz UDBGCXJQRONWPP-UHFFFAOYSA-N 1 2 305.303 4.087 20 30 DIEDLO CC1(C)CC(=O)C=C(Nc2cn3cc(C(F)(F)F)ccc3[nH+]2)C1 ZINC001210150244 1050144027 /nfs/dbraw/zinc/14/40/27/1050144027.db2.gz ALHKIMQVKGCFIQ-UHFFFAOYSA-N 1 2 323.318 4.038 20 30 DIEDLO C[C@@H](C#N)Oc1ccc(CNc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000770481014 1050164915 /nfs/dbraw/zinc/16/49/15/1050164915.db2.gz UOUWMEOXZBDMMD-INIZCTEOSA-N 1 2 321.424 4.190 20 30 DIEDLO Cc1[nH+]cc(Nc2cc(-c3ccc(F)cc3)sc2C#N)cc1N ZINC001210287525 1050191376 /nfs/dbraw/zinc/19/13/76/1050191376.db2.gz WFLRAJGJFRUHCB-UHFFFAOYSA-N 1 2 324.384 4.455 20 30 DIEDLO Clc1ccc(NN=Cc2cccc3[nH+]ccn32)c(Cl)c1 ZINC000771090744 1050219158 /nfs/dbraw/zinc/21/91/58/1050219158.db2.gz YFEUDMXFACSRGF-UHFFFAOYSA-N 1 2 305.168 4.087 20 30 DIEDLO COc1ccc2cc(N[C@@H]3CCc4c3cccc4C#N)[nH+]cc2c1 ZINC001171060735 1050227169 /nfs/dbraw/zinc/22/71/69/1050227169.db2.gz JJJNKHUJJDXADH-LJQANCHMSA-N 1 2 315.376 4.214 20 30 DIEDLO COc1cccc2[nH+]c(N[C@@H]3CCc4c3cccc4C#N)ccc21 ZINC001171060823 1050227725 /nfs/dbraw/zinc/22/77/25/1050227725.db2.gz LNHPPOXQGKGXFU-GOSISDBHSA-N 1 2 315.376 4.214 20 30 DIEDLO CC[N@H+](Cc1ccncc1C#N)[C@H](C)c1cc2ccccc2o1 ZINC000592061893 1050262946 /nfs/dbraw/zinc/26/29/46/1050262946.db2.gz UJQOPIPWWPZOQV-CQSZACIVSA-N 1 2 305.381 4.283 20 30 DIEDLO CC[N@@H+](Cc1ccncc1C#N)[C@H](C)c1cc2ccccc2o1 ZINC000592061893 1050262955 /nfs/dbraw/zinc/26/29/55/1050262955.db2.gz UJQOPIPWWPZOQV-CQSZACIVSA-N 1 2 305.381 4.283 20 30 DIEDLO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592072982 1050269168 /nfs/dbraw/zinc/26/91/68/1050269168.db2.gz UBFDIXUGEILXGN-SFHVURJKSA-N 1 2 309.413 4.226 20 30 DIEDLO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592072982 1050269170 /nfs/dbraw/zinc/26/91/70/1050269170.db2.gz UBFDIXUGEILXGN-SFHVURJKSA-N 1 2 309.413 4.226 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cc4c(s3)CCC4)n2c1 ZINC000771859709 1050294154 /nfs/dbraw/zinc/29/41/54/1050294154.db2.gz CSNNXTUVNWFXAX-SREVYHEPSA-N 1 2 308.406 4.089 20 30 DIEDLO C[N@H+](CCc1ccccc1F)Cc1c(Cl)cccc1C#N ZINC001143732555 1050343819 /nfs/dbraw/zinc/34/38/19/1050343819.db2.gz RTLBOCWVLVVIIL-UHFFFAOYSA-N 1 2 302.780 4.025 20 30 DIEDLO C[N@@H+](CCc1ccccc1F)Cc1c(Cl)cccc1C#N ZINC001143732555 1050343826 /nfs/dbraw/zinc/34/38/26/1050343826.db2.gz RTLBOCWVLVVIIL-UHFFFAOYSA-N 1 2 302.780 4.025 20 30 DIEDLO CCOc1c(F)cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001143740746 1050347340 /nfs/dbraw/zinc/34/73/40/1050347340.db2.gz HDFBDKXKIZOMFE-GFCCVEGCSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1c(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001143740746 1050347346 /nfs/dbraw/zinc/34/73/46/1050347346.db2.gz HDFBDKXKIZOMFE-GFCCVEGCSA-N 1 2 310.800 4.003 20 30 DIEDLO CC(C)[Si](C#C[NH2+][C@H](C)c1ncc(F)cn1)(C(C)C)C(C)C ZINC001171114185 1050387436 /nfs/dbraw/zinc/38/74/36/1050387436.db2.gz GJGPJSRUCUAHAS-OAHLLOKOSA-N 1 2 321.516 4.445 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1cncc(OCc2ccccc2)c1 ZINC000785692490 1050405508 /nfs/dbraw/zinc/40/55/08/1050405508.db2.gz PEEJVRCDYGVGOG-UHFFFAOYSA-N 1 2 323.440 4.032 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1cncc(OCc2ccccc2)c1 ZINC000785692490 1050405510 /nfs/dbraw/zinc/40/55/10/1050405510.db2.gz PEEJVRCDYGVGOG-UHFFFAOYSA-N 1 2 323.440 4.032 20 30 DIEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCCO[C@H]2C(C)(C)C)c1O ZINC000735618977 1050412667 /nfs/dbraw/zinc/41/26/67/1050412667.db2.gz HWRFNWNYSPVUIG-UDBLOYCBSA-N 1 2 319.445 4.051 20 30 DIEDLO C=C(Br)C[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000735744187 1050425164 /nfs/dbraw/zinc/42/51/64/1050425164.db2.gz PSGJEDYVLDXPLN-GXTWGEPZSA-N 1 2 312.276 4.074 20 30 DIEDLO C=C(Br)C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000735744187 1050425165 /nfs/dbraw/zinc/42/51/65/1050425165.db2.gz PSGJEDYVLDXPLN-GXTWGEPZSA-N 1 2 312.276 4.074 20 30 DIEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CCCC1 ZINC000593649470 1050432553 /nfs/dbraw/zinc/43/25/53/1050432553.db2.gz IEWYFSHIPQVOFD-UHFFFAOYSA-N 1 2 314.763 4.115 20 30 DIEDLO Cc1cccc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)c1 ZINC000735970927 1050440588 /nfs/dbraw/zinc/44/05/88/1050440588.db2.gz LFEPSLKEEMDLSC-UHFFFAOYSA-N 1 2 320.849 4.151 20 30 DIEDLO Cc1ccc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)cc1 ZINC000735970993 1050441814 /nfs/dbraw/zinc/44/18/14/1050441814.db2.gz MRZWBYMNUZIVQH-UHFFFAOYSA-N 1 2 320.849 4.151 20 30 DIEDLO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001144079110 1050460443 /nfs/dbraw/zinc/46/04/43/1050460443.db2.gz BDUVHPJVOVOQEI-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cncc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001144079110 1050460448 /nfs/dbraw/zinc/46/04/48/1050460448.db2.gz BDUVHPJVOVOQEI-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO C=C(Br)C[N@@H+](CCC)[C@@H](C)c1ccccc1OC ZINC000746651778 1050560657 /nfs/dbraw/zinc/56/06/57/1050560657.db2.gz KTHLUHAINBSJEC-ZDUSSCGKSA-N 1 2 312.251 4.377 20 30 DIEDLO C=C(Br)C[N@H+](CCC)[C@@H](C)c1ccccc1OC ZINC000746651778 1050560668 /nfs/dbraw/zinc/56/06/68/1050560668.db2.gz KTHLUHAINBSJEC-ZDUSSCGKSA-N 1 2 312.251 4.377 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787251765 1050577302 /nfs/dbraw/zinc/57/73/02/1050577302.db2.gz PCYDDWICJHPBOZ-UHFFFAOYSA-N 1 2 319.758 4.125 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787251765 1050577318 /nfs/dbraw/zinc/57/73/18/1050577318.db2.gz PCYDDWICJHPBOZ-UHFFFAOYSA-N 1 2 319.758 4.125 20 30 DIEDLO Cc1ncc(C#N)cc1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212614351 1050584762 /nfs/dbraw/zinc/58/47/62/1050584762.db2.gz LQBROGSPSCXMPC-UHFFFAOYSA-N 1 2 321.428 4.169 20 30 DIEDLO N#CC1(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCCCC1 ZINC000595092109 1050611942 /nfs/dbraw/zinc/61/19/42/1050611942.db2.gz XCXBJFYHJZEUQG-CYBMUJFWSA-N 1 2 308.347 4.155 20 30 DIEDLO N#CC1(c2cccc(Nc3ccc(N4CCCCC4)[nH+]c3)c2)CC1 ZINC001213314348 1050627184 /nfs/dbraw/zinc/62/71/84/1050627184.db2.gz VTWGYMROGDPPAF-UHFFFAOYSA-N 1 2 318.424 4.371 20 30 DIEDLO N#CC1(c2cccc(Nc3cccc(Cn4cc[nH+]c4)c3)c2)CC1 ZINC001213323089 1050628434 /nfs/dbraw/zinc/62/84/34/1050628434.db2.gz CRKLBOZXKANWEJ-UHFFFAOYSA-N 1 2 314.392 4.230 20 30 DIEDLO COc1ccc(CNc2[nH+]c3ccccc3cc2C)cc1C#N ZINC000746710129 1050628663 /nfs/dbraw/zinc/62/86/63/1050628663.db2.gz KVVSAXJQZJITCA-UHFFFAOYSA-N 1 2 303.365 4.036 20 30 DIEDLO C#Cc1cc(Nc2ccc(C(C)(C)C(F)(F)F)cc2)cc[nH+]1 ZINC001213390618 1050646251 /nfs/dbraw/zinc/64/62/51/1050646251.db2.gz LMUFCKDYQPMJEI-UHFFFAOYSA-N 1 2 304.315 4.068 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000595609463 1050656948 /nfs/dbraw/zinc/65/69/48/1050656948.db2.gz KGZVIDJXBPHCST-LLVKDONJSA-N 1 2 314.763 4.067 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000595609463 1050656955 /nfs/dbraw/zinc/65/69/55/1050656955.db2.gz KGZVIDJXBPHCST-LLVKDONJSA-N 1 2 314.763 4.067 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000595615322 1050656976 /nfs/dbraw/zinc/65/69/76/1050656976.db2.gz PVGXSCXZPZVRJU-ZDUSSCGKSA-N 1 2 315.417 4.075 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000595615322 1050656978 /nfs/dbraw/zinc/65/69/78/1050656978.db2.gz PVGXSCXZPZVRJU-ZDUSSCGKSA-N 1 2 315.417 4.075 20 30 DIEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc2nc(C#N)sc2c1 ZINC001213499617 1050672611 /nfs/dbraw/zinc/67/26/11/1050672611.db2.gz SCAISKUGTSEBBQ-UHFFFAOYSA-N 1 2 306.394 4.492 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(C#N)cc3Cl)n2c1 ZINC000788361055 1050673099 /nfs/dbraw/zinc/67/30/99/1050673099.db2.gz SJPQGQAYZNIHPT-GQCTYLIASA-N 1 2 321.767 4.064 20 30 DIEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(N2CCCC2)c(C#N)c1 ZINC001213501085 1050674181 /nfs/dbraw/zinc/67/41/81/1050674181.db2.gz HGNBOXPJQWGEJP-UHFFFAOYSA-N 1 2 318.424 4.483 20 30 DIEDLO Cc1cc(C)c(Nc2c(Br)cccc2C#N)c[nH+]1 ZINC001213515683 1050676894 /nfs/dbraw/zinc/67/68/94/1050676894.db2.gz DDLGQNHNMMLZCU-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1c[nH+]cc(Nc2c(Br)cccc2C#N)c1C ZINC001213532319 1050682321 /nfs/dbraw/zinc/68/23/21/1050682321.db2.gz BDCBGBCTKVCRBX-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1c[nH+]cc(Nc2cccc(Br)c2C#N)c1C ZINC001213531218 1050682697 /nfs/dbraw/zinc/68/26/97/1050682697.db2.gz WRTWDCMAYQZNFW-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO CCCc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000741472165 1050684790 /nfs/dbraw/zinc/68/47/90/1050684790.db2.gz SZAOSBIRGJUAHS-VAWYXSNFSA-N 1 2 304.393 4.491 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc4c(c3)CCCC4)c[nH+]c12 ZINC000741472319 1050684975 /nfs/dbraw/zinc/68/49/75/1050684975.db2.gz VPJNAUJWKXHLLV-KHPPLWFESA-N 1 2 316.404 4.418 20 30 DIEDLO CCCOc1cccc2c(N3CCC[C@@H](CC#N)C3)cc[nH+]c12 ZINC000596324900 1050707190 /nfs/dbraw/zinc/70/71/90/1050707190.db2.gz FLUXRWRRQJOSSO-HNNXBMFYSA-N 1 2 309.413 4.154 20 30 DIEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)s1 ZINC000737442229 1050724328 /nfs/dbraw/zinc/72/43/28/1050724328.db2.gz AGKJREFYCSCVKW-SNAWJCMRSA-N 1 2 302.786 4.254 20 30 DIEDLO Cc1[nH+]c(C(C)(C)C)nc(NCc2ccc(C#N)c(F)c2)c1C ZINC001170090558 1050759499 /nfs/dbraw/zinc/75/94/99/1050759499.db2.gz GCFLYITXCFHATH-UHFFFAOYSA-N 1 2 312.392 4.014 20 30 DIEDLO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1c(F)cccc1F ZINC000597135475 1050812390 /nfs/dbraw/zinc/81/23/90/1050812390.db2.gz LVFOCSVJGLMSDN-UHFFFAOYSA-N 1 2 312.363 4.152 20 30 DIEDLO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1c(F)cccc1F ZINC000597135475 1050812403 /nfs/dbraw/zinc/81/24/03/1050812403.db2.gz LVFOCSVJGLMSDN-UHFFFAOYSA-N 1 2 312.363 4.152 20 30 DIEDLO CC[N@H+](Cc1ncc(C(C)(C)C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469676 1050814717 /nfs/dbraw/zinc/81/47/17/1050814717.db2.gz NAQRCWSHHFOYTI-AWEZNQCLSA-N 1 2 311.429 4.427 20 30 DIEDLO CC[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469676 1050814733 /nfs/dbraw/zinc/81/47/33/1050814733.db2.gz NAQRCWSHHFOYTI-AWEZNQCLSA-N 1 2 311.429 4.427 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000597231510 1050826894 /nfs/dbraw/zinc/82/68/94/1050826894.db2.gz YWNOJVQDIUPSFA-GOSISDBHSA-N 1 2 316.351 4.177 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000597231510 1050826908 /nfs/dbraw/zinc/82/69/08/1050826908.db2.gz YWNOJVQDIUPSFA-GOSISDBHSA-N 1 2 316.351 4.177 20 30 DIEDLO CC(=NNc1[nH+]ccn1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000790306315 1050950245 /nfs/dbraw/zinc/95/02/45/1050950245.db2.gz XNPLTUUCHZSURB-UHFFFAOYSA-N 1 2 324.359 4.188 20 30 DIEDLO Clc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)s2)cn1 ZINC000743451487 1051029482 /nfs/dbraw/zinc/02/94/82/1051029482.db2.gz GVISOSLHNDHPPE-UHFFFAOYSA-N 1 2 320.849 4.233 20 30 DIEDLO CCOc1ccc(/C=[NH+]/CCc2ccc3ccccc3n2)c(O)c1 ZINC000743538149 1051042850 /nfs/dbraw/zinc/04/28/50/1051042850.db2.gz GUVZBLWRKJIONN-KGENOOAVSA-N 1 2 320.392 4.001 20 30 DIEDLO N#CC1(c2cc[nH+]c(NCc3cccc4sccc43)c2)CC1 ZINC001171377161 1051045205 /nfs/dbraw/zinc/04/52/05/1051045205.db2.gz GEUUYTKJBATAAM-UHFFFAOYSA-N 1 2 305.406 4.464 20 30 DIEDLO CC[C@@H](C#N)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171648447 1051181924 /nfs/dbraw/zinc/18/19/24/1051181924.db2.gz RXZQLSIYTABCMG-SIWZUTFBSA-N 1 2 321.262 4.367 20 30 DIEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001172579186 1051463716 /nfs/dbraw/zinc/46/37/16/1051463716.db2.gz WJNKOLLZNKNARB-BDJLRTHQSA-N 1 2 312.791 4.175 20 30 DIEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@](C)(C#N)C1 ZINC001172579186 1051463720 /nfs/dbraw/zinc/46/37/20/1051463720.db2.gz WJNKOLLZNKNARB-BDJLRTHQSA-N 1 2 312.791 4.175 20 30 DIEDLO CC[C@H]1CC[C@H](C2CCC([NH2+]C3(C#N)CCOCC3)CC2)CC1 ZINC001172589540 1051464464 /nfs/dbraw/zinc/46/44/64/1051464464.db2.gz ZNKCHAICDGGDMV-POSCCBCBSA-N 1 2 318.505 4.424 20 30 DIEDLO CCCCCCCCCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC001216003166 1051519452 /nfs/dbraw/zinc/51/94/52/1051519452.db2.gz CRGNREAJGBUTSY-UHFFFAOYSA-N 1 2 305.466 4.383 20 30 DIEDLO N#Cc1c(Cl)cccc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001216127770 1051591758 /nfs/dbraw/zinc/59/17/58/1051591758.db2.gz GKHDRUSVEBETBJ-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO Cn1c[nH+]c2ccc(N[C@@](C)(C#N)c3ccccc3Cl)cc21 ZINC001169380596 1051599160 /nfs/dbraw/zinc/59/91/60/1051599160.db2.gz DMXODSBEDGQINO-KRWDZBQOSA-N 1 2 310.788 4.078 20 30 DIEDLO Cc1cc2[nH+]ccn2cc1N[C@](C)(C#N)c1ccccc1Cl ZINC001169389567 1051605750 /nfs/dbraw/zinc/60/57/50/1051605750.db2.gz SMSUXBOMRJYOQK-QGZVFWFLSA-N 1 2 310.788 4.147 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3\C(=O)c4cccc(C)c4[C@H]3C)n2c1 ZINC000766697010 1051613425 /nfs/dbraw/zinc/61/34/25/1051613425.db2.gz ZNCMWXJHABNFER-DUPVFGOHSA-N 1 2 302.377 4.335 20 30 DIEDLO C#C[C@](C)(CC)Nc1ccc(-c2cccc(C(=O)OC)c2)c(C)[nH+]1 ZINC001169692093 1051675587 /nfs/dbraw/zinc/67/55/87/1051675587.db2.gz KHYLGNFRRCHYNS-HXUWFJFHSA-N 1 2 322.408 4.057 20 30 DIEDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001169714768 1051681928 /nfs/dbraw/zinc/68/19/28/1051681928.db2.gz DINUHLKELYTQSW-IBGZPJMESA-N 1 2 312.363 4.077 20 30 DIEDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001169714768 1051681937 /nfs/dbraw/zinc/68/19/37/1051681937.db2.gz DINUHLKELYTQSW-IBGZPJMESA-N 1 2 312.363 4.077 20 30 DIEDLO COc1ccc2cc(NC34CCC(C#N)(CC3)CC4)[nH+]cc2c1 ZINC001169746347 1051686153 /nfs/dbraw/zinc/68/61/53/1051686153.db2.gz FPQPCTRHOQTBGP-UHFFFAOYSA-N 1 2 307.397 4.272 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(Cl)ccc1Cl ZINC000766872877 1051725931 /nfs/dbraw/zinc/72/59/31/1051725931.db2.gz VEUBEUOQTAEZAI-UHFFFAOYSA-N 1 2 311.212 4.212 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(Cl)ccc1Cl ZINC000766872877 1051725947 /nfs/dbraw/zinc/72/59/47/1051725947.db2.gz VEUBEUOQTAEZAI-UHFFFAOYSA-N 1 2 311.212 4.212 20 30 DIEDLO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(Cl)c1O ZINC000806147256 1051755022 /nfs/dbraw/zinc/75/50/22/1051755022.db2.gz HFFHXRRQCSIQPC-MRXNPFEDSA-N 1 2 318.779 4.297 20 30 DIEDLO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(Cl)c1O ZINC000806164456 1051766556 /nfs/dbraw/zinc/76/65/56/1051766556.db2.gz UHARQZXODCBSAO-ZUEPYMLJSA-N 1 2 306.837 4.416 20 30 DIEDLO C[C@]1(C/[NH+]=C/c2c(O)ccc3ccccc32)CCO[C@@H]1C1CC1 ZINC000767339580 1051788116 /nfs/dbraw/zinc/78/81/16/1051788116.db2.gz VDVDVPMXWNXQIA-LVZGSSTFSA-N 1 2 309.409 4.170 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2cc(Br)ccc2C#N)c1 ZINC000404477388 1051871724 /nfs/dbraw/zinc/87/17/24/1051871724.db2.gz HWLIMUSZDICVPH-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO CC(C)c1cccc2c1OC/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000769613797 1052089268 /nfs/dbraw/zinc/08/92/68/1052089268.db2.gz DYJMBTZGAXAHKP-KAMYIIQDSA-N 1 2 318.376 4.116 20 30 DIEDLO O=C1c2cccc3c2[C@H](CCC3)/C1=C/c1cccc2[nH+]ccn21 ZINC000769614578 1052089907 /nfs/dbraw/zinc/08/99/07/1052089907.db2.gz KXVROQBTVTUUCX-UHVIJJLKSA-N 1 2 300.361 4.034 20 30 DIEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000769961023 1052130187 /nfs/dbraw/zinc/13/01/87/1052130187.db2.gz LTVRUBRDVBPGFN-LLVKDONJSA-N 1 2 324.371 4.282 20 30 DIEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000769961023 1052130191 /nfs/dbraw/zinc/13/01/91/1052130191.db2.gz LTVRUBRDVBPGFN-LLVKDONJSA-N 1 2 324.371 4.282 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3c(C#N)cccc3C#N)ccc21 ZINC001174381148 1052139069 /nfs/dbraw/zinc/13/90/69/1052139069.db2.gz HWDSSKZWWXILMQ-UHFFFAOYSA-N 1 2 301.353 4.104 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3c(C#N)cnn3C(C)C)ccc21 ZINC001174381316 1052140549 /nfs/dbraw/zinc/14/05/49/1052140549.db2.gz FYTHHKLKRRWXTM-UHFFFAOYSA-N 1 2 308.389 4.010 20 30 DIEDLO COc1ccc(C#N)cc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382770 1052143186 /nfs/dbraw/zinc/14/31/86/1052143186.db2.gz DSTFRZUWCNHONS-UHFFFAOYSA-N 1 2 306.369 4.241 20 30 DIEDLO COc1cc(C#N)cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1 ZINC001174384096 1052143793 /nfs/dbraw/zinc/14/37/93/1052143793.db2.gz FOWVNYAHYXTPKV-UHFFFAOYSA-N 1 2 306.369 4.241 20 30 DIEDLO N#C[C@@H](Oc1cc(N)cc[nH+]1)c1cccc(Oc2ccccc2)c1 ZINC001218300096 1052220617 /nfs/dbraw/zinc/22/06/17/1052220617.db2.gz DHXXVTKJOCHHEO-GOSISDBHSA-N 1 2 317.348 4.100 20 30 DIEDLO O=C1c2cccc3c2[C@H](CCC3)/C1=C/c1c[nH+]c2ccccn12 ZINC000763290380 1052557283 /nfs/dbraw/zinc/55/72/83/1052557283.db2.gz QNTFAQZGSAUBES-QJISPJEISA-N 1 2 300.361 4.034 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3\C(=O)c4cccc5c4[C@H]3CCC5)n2c1 ZINC000763290648 1052557540 /nfs/dbraw/zinc/55/75/40/1052557540.db2.gz RRSMMCCIEDREHZ-PMFHANACSA-N 1 2 314.388 4.343 20 30 DIEDLO O=C1c2cccc3c2[C@@H](CCC3)/C1=C\c1c[nH+]c2ccccn12 ZINC000763290381 1052557720 /nfs/dbraw/zinc/55/77/20/1052557720.db2.gz QNTFAQZGSAUBES-VUVCFOEZSA-N 1 2 300.361 4.034 20 30 DIEDLO CC(=[NH+]Nc1cccc2ncccc21)c1ccc(N(C)C)cc1 ZINC000915964852 1052576335 /nfs/dbraw/zinc/57/63/35/1052576335.db2.gz RDLFBJMEZFSUPM-UHFFFAOYSA-N 1 2 304.397 4.137 20 30 DIEDLO CCN(CC)c1ncc(C=[NH+]Nc2cccc(Cl)c2)s1 ZINC000916269539 1052600566 /nfs/dbraw/zinc/60/05/66/1052600566.db2.gz WIQZAGJSXYQDRD-UHFFFAOYSA-N 1 2 308.838 4.089 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000127597302 1052699700 /nfs/dbraw/zinc/69/97/00/1052699700.db2.gz WKAUQBFOEPPQER-UHFFFAOYSA-N 1 2 315.398 4.059 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000127597302 1052699703 /nfs/dbraw/zinc/69/97/03/1052699703.db2.gz WKAUQBFOEPPQER-UHFFFAOYSA-N 1 2 315.398 4.059 20 30 DIEDLO COc1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000556065597 1052796267 /nfs/dbraw/zinc/79/62/67/1052796267.db2.gz SPPIEUWVCIWYNM-KRWDZBQOSA-N 1 2 312.800 4.167 20 30 DIEDLO COc1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000556065597 1052796269 /nfs/dbraw/zinc/79/62/69/1052796269.db2.gz SPPIEUWVCIWYNM-KRWDZBQOSA-N 1 2 312.800 4.167 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)cc1F ZINC000179635459 1053021178 /nfs/dbraw/zinc/02/11/78/1053021178.db2.gz HLNPCQKMWNEVQM-QGZVFWFLSA-N 1 2 304.315 4.216 20 30 DIEDLO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000179899836 1053032720 /nfs/dbraw/zinc/03/27/20/1053032720.db2.gz IZPAVVFIUSUBGD-MQIPJXDCSA-N 1 2 319.836 4.311 20 30 DIEDLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1cccc(C#N)c1 ZINC000179917080 1053035227 /nfs/dbraw/zinc/03/52/27/1053035227.db2.gz MKCDCGUYAKRSFR-HNNXBMFYSA-N 1 2 306.413 4.117 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccccc1C(F)(F)F ZINC000180307760 1053052834 /nfs/dbraw/zinc/05/28/34/1053052834.db2.gz UXQBKHGOAUPZAP-CMDGGOBGSA-N 1 2 316.282 4.249 20 30 DIEDLO C=C[C@]1(C)CC[C@@H](Oc2ccc3[nH]c(C)[nH+]c3c2)C(C)(C)O1 ZINC001228328187 1053075984 /nfs/dbraw/zinc/07/59/84/1053075984.db2.gz CHOLYMLHUUCUNM-SJLPKXTDSA-N 1 2 300.402 4.152 20 30 DIEDLO COc1cc(C)[nH+]c(CSc2ccc(Cl)cc2C#N)c1 ZINC001559379245 1053122017 /nfs/dbraw/zinc/12/20/17/1053122017.db2.gz JRKUGARDUZLFCA-UHFFFAOYSA-N 1 2 304.802 4.216 20 30 DIEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181745553 1053286413 /nfs/dbraw/zinc/28/64/13/1053286413.db2.gz UFMFZRMHARYUJR-LLVKDONJSA-N 1 2 318.779 4.210 20 30 DIEDLO COc1c(C)c[nH+]c(CSCc2cccc(C#N)c2F)c1C ZINC001320096773 1053304515 /nfs/dbraw/zinc/30/45/15/1053304515.db2.gz XBOFFNOUYOYPBM-UHFFFAOYSA-N 1 2 316.401 4.151 20 30 DIEDLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C#N)c1 ZINC000182909152 1053543786 /nfs/dbraw/zinc/54/37/86/1053543786.db2.gz RVSMHHRAZRRRGT-ZDUSSCGKSA-N 1 2 306.344 4.056 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(OC(C)(C)C)cc1 ZINC001323088766 1053564612 /nfs/dbraw/zinc/56/46/12/1053564612.db2.gz RYISACTYXUJIDL-JLHYYAGUSA-N 1 2 324.424 4.221 20 30 DIEDLO C=C[C@@]1(C)CC[C@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)C(C)(C)O1 ZINC001231081244 1053669591 /nfs/dbraw/zinc/66/95/91/1053669591.db2.gz KAQLJUQDNIEAMO-LPHOPBHVSA-N 1 2 312.413 4.358 20 30 DIEDLO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccc(-c3[nH]cc[nH+]3)cc2)O1 ZINC001231082304 1053670912 /nfs/dbraw/zinc/67/09/12/1053670912.db2.gz ULZOWQVHYPAEDP-APWZRJJASA-N 1 2 312.413 4.358 20 30 DIEDLO C[C@@H](Oc1ccc(-c2c[nH+]cn2C)cc1)c1ccccc1C#N ZINC001231084012 1053671783 /nfs/dbraw/zinc/67/17/83/1053671783.db2.gz SJWMKXQAZJPOKP-CQSZACIVSA-N 1 2 303.365 4.099 20 30 DIEDLO CC[C@@H](C#Cc1ccccc1)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083924 1053671936 /nfs/dbraw/zinc/67/19/36/1053671936.db2.gz PRDJELVJRINAHH-IBGZPJMESA-N 1 2 316.404 4.296 20 30 DIEDLO COc1c(C)c[nH+]c(CSCc2ccc(C#N)cc2C)c1C ZINC001325838784 1053737367 /nfs/dbraw/zinc/73/73/67/1053737367.db2.gz XYJAKDOYUFNWRJ-UHFFFAOYSA-N 1 2 312.438 4.321 20 30 DIEDLO C=CCOc1cccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)c1 ZINC001231624265 1053804306 /nfs/dbraw/zinc/80/43/06/1053804306.db2.gz DBZQAEIHUPHDKT-UHFFFAOYSA-N 1 2 315.363 4.088 20 30 DIEDLO C=CCOc1cccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)c1 ZINC001231624265 1053804320 /nfs/dbraw/zinc/80/43/20/1053804320.db2.gz DBZQAEIHUPHDKT-UHFFFAOYSA-N 1 2 315.363 4.088 20 30 DIEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nc(C(C)(C)C)cs1 ZINC000184463502 1054043780 /nfs/dbraw/zinc/04/37/80/1054043780.db2.gz KGYWPUBHOBKTIR-NSHDSACASA-N 1 2 317.433 4.302 20 30 DIEDLO COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC001232609419 1054082742 /nfs/dbraw/zinc/08/27/42/1054082742.db2.gz DBFHIARBQOMPKE-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC001232609419 1054082749 /nfs/dbraw/zinc/08/27/49/1054082749.db2.gz DBFHIARBQOMPKE-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2c(F)cccc2F)s1 ZINC001232846566 1054130113 /nfs/dbraw/zinc/13/01/13/1054130113.db2.gz JSIPSEDAMSKCJY-OAHLLOKOSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2c(F)cccc2F)s1 ZINC001232846566 1054130119 /nfs/dbraw/zinc/13/01/19/1054130119.db2.gz JSIPSEDAMSKCJY-OAHLLOKOSA-N 1 2 304.365 4.235 20 30 DIEDLO C[C@H]([NH2+]Cc1csc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC001334315109 1054186983 /nfs/dbraw/zinc/18/69/83/1054186983.db2.gz VCRBGKJYOOIZLF-JTQLQIEISA-N 1 2 305.472 4.225 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)c(OC)cc1F ZINC001233344293 1054242698 /nfs/dbraw/zinc/24/26/98/1054242698.db2.gz XEBROJOMQBWPIJ-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)c(OC)cc1F ZINC001233344293 1054242709 /nfs/dbraw/zinc/24/27/09/1054242709.db2.gz XEBROJOMQBWPIJ-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1O)Cc1ccc(Cl)cc1Cl ZINC001233383298 1054255108 /nfs/dbraw/zinc/25/51/08/1054255108.db2.gz CXGVLXKGKQUFGP-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1O)Cc1ccc(Cl)cc1Cl ZINC001233383298 1054255125 /nfs/dbraw/zinc/25/51/25/1054255125.db2.gz CXGVLXKGKQUFGP-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO N#CCC[N@@H+](Cc1cccc(C(F)(F)F)c1O)C1CCCC1 ZINC001233418168 1054266925 /nfs/dbraw/zinc/26/69/25/1054266925.db2.gz WABQYBUFIUYPCE-UHFFFAOYSA-N 1 2 312.335 4.069 20 30 DIEDLO N#CCC[N@H+](Cc1cccc(C(F)(F)F)c1O)C1CCCC1 ZINC001233418168 1054266936 /nfs/dbraw/zinc/26/69/36/1054266936.db2.gz WABQYBUFIUYPCE-UHFFFAOYSA-N 1 2 312.335 4.069 20 30 DIEDLO CCSc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1 ZINC001346401513 1054536062 /nfs/dbraw/zinc/53/60/62/1054536062.db2.gz MOPKQQQTYLMHHO-FMIVXFBMSA-N 1 2 312.438 4.156 20 30 DIEDLO C=C(CC(C)C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001347080853 1054556951 /nfs/dbraw/zinc/55/69/51/1054556951.db2.gz LYMUCIKUWFAGGT-UHFFFAOYSA-N 1 2 321.424 4.143 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc(N2CCCC2)c1 ZINC001235088190 1054654616 /nfs/dbraw/zinc/65/46/16/1054654616.db2.gz IJQMCJBLCMSSDH-UHFFFAOYSA-N 1 2 319.452 4.203 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc(N2CCCC2)c1 ZINC001235088190 1054654622 /nfs/dbraw/zinc/65/46/22/1054654622.db2.gz IJQMCJBLCMSSDH-UHFFFAOYSA-N 1 2 319.452 4.203 20 30 DIEDLO C=C(C)C[N@@H+](CC)Cc1nc2ccccc2cc1Br ZINC001235380634 1054711071 /nfs/dbraw/zinc/71/10/71/1054711071.db2.gz QXUBCZZTANLTQS-UHFFFAOYSA-N 1 2 319.246 4.395 20 30 DIEDLO C=C(C)C[N@H+](CC)Cc1nc2ccccc2cc1Br ZINC001235380634 1054711088 /nfs/dbraw/zinc/71/10/88/1054711088.db2.gz QXUBCZZTANLTQS-UHFFFAOYSA-N 1 2 319.246 4.395 20 30 DIEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)c(Cl)cc1Cl ZINC000194076899 1055114751 /nfs/dbraw/zinc/11/47/51/1055114751.db2.gz WZZTYFMMZKNCCQ-NXEZZACHSA-N 1 2 314.191 4.227 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001236662183 1055217401 /nfs/dbraw/zinc/21/74/01/1055217401.db2.gz PFAXZLJZUYAMLB-SNVBAGLBSA-N 1 2 301.192 4.258 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001236662183 1055217408 /nfs/dbraw/zinc/21/74/08/1055217408.db2.gz PFAXZLJZUYAMLB-SNVBAGLBSA-N 1 2 301.192 4.258 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2cc1Cl ZINC001236872846 1055300409 /nfs/dbraw/zinc/30/04/09/1055300409.db2.gz BRSGPWVCPQPPQR-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2cc1Cl ZINC001236872846 1055300422 /nfs/dbraw/zinc/30/04/22/1055300422.db2.gz BRSGPWVCPQPPQR-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO CCCCCCCC[N@H+](C)Cc1nc(C(=O)OCC)cs1 ZINC001237347399 1055433430 /nfs/dbraw/zinc/43/34/30/1055433430.db2.gz ISYNWHUENYDCTA-UHFFFAOYSA-N 1 2 312.479 4.112 20 30 DIEDLO CCCCCCCC[N@@H+](C)Cc1nc(C(=O)OCC)cs1 ZINC001237347399 1055433443 /nfs/dbraw/zinc/43/34/43/1055433443.db2.gz ISYNWHUENYDCTA-UHFFFAOYSA-N 1 2 312.479 4.112 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(F)cc1F ZINC001237524111 1055467581 /nfs/dbraw/zinc/46/75/81/1055467581.db2.gz GBYIHGWSAAIRDX-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(F)cc1F ZINC001237524111 1055467585 /nfs/dbraw/zinc/46/75/85/1055467585.db2.gz GBYIHGWSAAIRDX-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#CC1CC[NH+](Cc2csc(-c3cccc(Cl)c3)n2)CC1 ZINC001237983356 1055574505 /nfs/dbraw/zinc/57/45/05/1055574505.db2.gz HUWBMVWFHXAXPP-UHFFFAOYSA-N 1 2 317.845 4.199 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(C#N)c1)Cc1ccc(F)cc1F ZINC001238198997 1055616908 /nfs/dbraw/zinc/61/69/08/1055616908.db2.gz OKPYGCRDAXEEIF-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(C#N)c1)Cc1ccc(F)cc1F ZINC001238198997 1055616914 /nfs/dbraw/zinc/61/69/14/1055616914.db2.gz OKPYGCRDAXEEIF-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC(C)Oc1c(F)cccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001238317661 1055638631 /nfs/dbraw/zinc/63/86/31/1055638631.db2.gz DVLXNIDYDQHWTR-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1c(F)cccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001238317661 1055638634 /nfs/dbraw/zinc/63/86/34/1055638634.db2.gz DVLXNIDYDQHWTR-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1cccc(C[N@H+](CCC#N)C2CCCC2)c1F ZINC001238426787 1055658499 /nfs/dbraw/zinc/65/84/99/1055658499.db2.gz ZKEJZOBBZFTEKX-UHFFFAOYSA-N 1 2 304.409 4.271 20 30 DIEDLO CC(C)Oc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1F ZINC001238426787 1055658504 /nfs/dbraw/zinc/65/85/04/1055658504.db2.gz ZKEJZOBBZFTEKX-UHFFFAOYSA-N 1 2 304.409 4.271 20 30 DIEDLO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)ccc1Oc1ccc(F)cc1 ZINC001238524849 1055677952 /nfs/dbraw/zinc/67/79/52/1055677952.db2.gz BDGDIUDSOOFUPV-INIZCTEOSA-N 1 2 310.372 4.272 20 30 DIEDLO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)ccc1Oc1ccc(F)cc1 ZINC001238524849 1055677957 /nfs/dbraw/zinc/67/79/57/1055677957.db2.gz BDGDIUDSOOFUPV-INIZCTEOSA-N 1 2 310.372 4.272 20 30 DIEDLO Cc1cc(F)cc(Cl)c1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001238780731 1055749686 /nfs/dbraw/zinc/74/96/86/1055749686.db2.gz LBFSKPKCOKTTSM-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO Cc1cc(F)cc(Cl)c1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001238780731 1055749697 /nfs/dbraw/zinc/74/96/97/1055749697.db2.gz LBFSKPKCOKTTSM-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168615943 1056152783 /nfs/dbraw/zinc/15/27/83/1056152783.db2.gz QBKFSGSQSWOPCO-APWZRJJASA-N 1 2 315.388 4.202 20 30 DIEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(Cl)c(C#N)c1 ZINC001240404530 1056486248 /nfs/dbraw/zinc/48/62/48/1056486248.db2.gz ZDOBKFSEZYFOQX-UHFFFAOYSA-N 1 2 309.756 4.073 20 30 DIEDLO C=CC[N@H+](CC1CCCCC1)[C@H](C(=O)OC)c1ccsc1 ZINC001615506006 1056523778 /nfs/dbraw/zinc/52/37/78/1056523778.db2.gz UPHBAMQGCVIOFL-INIZCTEOSA-N 1 2 307.459 4.031 20 30 DIEDLO C=CC[N@@H+](CC1CCCCC1)[C@H](C(=O)OC)c1ccsc1 ZINC001615506006 1056523795 /nfs/dbraw/zinc/52/37/95/1056523795.db2.gz UPHBAMQGCVIOFL-INIZCTEOSA-N 1 2 307.459 4.031 20 30 DIEDLO COc1c(C)cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1C ZINC001241018128 1056820448 /nfs/dbraw/zinc/82/04/48/1056820448.db2.gz YJOLXROUWNAKOR-CIAFOILYSA-N 1 2 307.397 4.072 20 30 DIEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000317238955 1056998828 /nfs/dbraw/zinc/99/88/28/1056998828.db2.gz MAWPGMUQJKHCHM-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000317238955 1056998830 /nfs/dbraw/zinc/99/88/30/1056998830.db2.gz MAWPGMUQJKHCHM-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO N#Cc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)c(F)c1 ZINC000092390262 1057026856 /nfs/dbraw/zinc/02/68/56/1057026856.db2.gz YFGYNLBQSLRHDY-UHFFFAOYSA-N 1 2 323.396 4.111 20 30 DIEDLO CC(C)(C#N)c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922521137 1057030084 /nfs/dbraw/zinc/03/00/84/1057030084.db2.gz GWBJTQVECIVMGX-MJGOQNOKSA-N 1 2 324.399 4.049 20 30 DIEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162893384 1057153394 /nfs/dbraw/zinc/15/33/94/1057153394.db2.gz GIHLSWDECKXMFG-NSHDSACASA-N 1 2 302.830 4.392 20 30 DIEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162893384 1057153397 /nfs/dbraw/zinc/15/33/97/1057153397.db2.gz GIHLSWDECKXMFG-NSHDSACASA-N 1 2 302.830 4.392 20 30 DIEDLO C=CC[NH+](CC=C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000674709139 1057276603 /nfs/dbraw/zinc/27/66/03/1057276603.db2.gz CBAKOUJFRMEISX-UHFFFAOYSA-N 1 2 312.457 4.026 20 30 DIEDLO CCc1cc(OC)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001242700231 1057453010 /nfs/dbraw/zinc/45/30/10/1057453010.db2.gz MBKGOCBGTGWPRV-FYJGNVAPSA-N 1 2 307.397 4.018 20 30 DIEDLO C=CCC[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000676446513 1057473632 /nfs/dbraw/zinc/47/36/32/1057473632.db2.gz WYRGPARYYYRHOF-KRWDZBQOSA-N 1 2 320.396 4.163 20 30 DIEDLO Cc1ccccc1-c1cnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000611386316 1057594118 /nfs/dbraw/zinc/59/41/18/1057594118.db2.gz HVCPWJUCHLNNDF-HNNXBMFYSA-N 1 2 317.392 4.373 20 30 DIEDLO CC(C)(C#N)CC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000611462703 1057600623 /nfs/dbraw/zinc/60/06/23/1057600623.db2.gz WPKINCZGELGVRS-UHFFFAOYSA-N 1 2 301.821 4.119 20 30 DIEDLO CC(C)(C#N)CC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000611462703 1057600626 /nfs/dbraw/zinc/60/06/26/1057600626.db2.gz WPKINCZGELGVRS-UHFFFAOYSA-N 1 2 301.821 4.119 20 30 DIEDLO C[NH+](C)Cc1c(F)cc(-c2ccc(C3(C#N)CC3)cc2)cc1F ZINC001243424302 1057679481 /nfs/dbraw/zinc/67/94/81/1057679481.db2.gz QKZNJACPNVOBPC-UHFFFAOYSA-N 1 2 312.363 4.249 20 30 DIEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(C2(C#N)CC2)cc1 ZINC001243424281 1057679842 /nfs/dbraw/zinc/67/98/42/1057679842.db2.gz PNWUVVQNXKBZDT-UHFFFAOYSA-N 1 2 315.376 4.103 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1nc2ccccc2s1 ZINC000730147368 1057704524 /nfs/dbraw/zinc/70/45/24/1057704524.db2.gz CIZZTBZGHGSEMV-UHFFFAOYSA-N 1 2 318.405 4.103 20 30 DIEDLO C=C1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000731033336 1057733383 /nfs/dbraw/zinc/73/33/83/1057733383.db2.gz YFHCIAFTADKANU-UHFFFAOYSA-N 1 2 315.848 4.045 20 30 DIEDLO Cc1nc(-c2ccc(C)cc2)sc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731158548 1057736645 /nfs/dbraw/zinc/73/66/45/1057736645.db2.gz DJJIMXVVGNDMFI-BQYQJAHWSA-N 1 2 309.394 4.046 20 30 DIEDLO Cc1ccccc1COc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000731158823 1057736873 /nfs/dbraw/zinc/73/68/73/1057736873.db2.gz JQUFTTMMUFTYTF-ZHACJKMWSA-N 1 2 318.376 4.193 20 30 DIEDLO C=C(C)CCc1ccccc1-c1cc[nH+]c(N2CCOCC2)c1 ZINC001243900698 1057801800 /nfs/dbraw/zinc/80/18/00/1057801800.db2.gz WYRXRDHCCVDUAE-UHFFFAOYSA-N 1 2 308.425 4.094 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccnc(C(C)(C)C)c2)cc1C#N ZINC001244023046 1057841345 /nfs/dbraw/zinc/84/13/45/1057841345.db2.gz LDXOLRSTKBWMKG-LPYMAVHISA-N 1 2 306.413 4.139 20 30 DIEDLO C[NH+](C)Cc1c(F)cc(-c2cccc(Cl)c2C#N)cc1F ZINC001244735710 1058037578 /nfs/dbraw/zinc/03/75/78/1058037578.db2.gz SPKHCLHHJQGZJI-UHFFFAOYSA-N 1 2 306.743 4.218 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3cc(N)ccc3c2)cc1C#N ZINC001245366344 1058153845 /nfs/dbraw/zinc/15/38/45/1058153845.db2.gz FRJRDCQDEMBTHV-YDZHTSKRSA-N 1 2 314.392 4.182 20 30 DIEDLO C=CCCC[C@@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC001521674206 1058938923 /nfs/dbraw/zinc/93/89/23/1058938923.db2.gz VIUSSKKVNNFFLD-QGZVFWFLSA-N 1 2 319.408 4.413 20 30 DIEDLO C=CCCC[N@@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001559631439 1059459106 /nfs/dbraw/zinc/45/91/06/1059459106.db2.gz FMYDKJKDDRIQEJ-UHFFFAOYSA-N 1 2 319.246 4.255 20 30 DIEDLO C=CCCC[N@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001559631439 1059459113 /nfs/dbraw/zinc/45/91/13/1059459113.db2.gz FMYDKJKDDRIQEJ-UHFFFAOYSA-N 1 2 319.246 4.255 20 30 DIEDLO C=C(C)CC[N@@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001559644331 1059468164 /nfs/dbraw/zinc/46/81/64/1059468164.db2.gz YCBGEVHJSKNCMA-CQSZACIVSA-N 1 2 316.228 4.106 20 30 DIEDLO C=C(C)CC[N@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001559644331 1059468171 /nfs/dbraw/zinc/46/81/71/1059468171.db2.gz YCBGEVHJSKNCMA-CQSZACIVSA-N 1 2 316.228 4.106 20 30 DIEDLO C=C(C)CC[N@@H+](C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001559644330 1059468903 /nfs/dbraw/zinc/46/89/03/1059468903.db2.gz YCBGEVHJSKNCMA-AWEZNQCLSA-N 1 2 316.228 4.106 20 30 DIEDLO C=C(C)CC[N@H+](C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001559644330 1059468911 /nfs/dbraw/zinc/46/89/11/1059468911.db2.gz YCBGEVHJSKNCMA-AWEZNQCLSA-N 1 2 316.228 4.106 20 30 DIEDLO Cc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3[C@H]2C)cc1C#N ZINC001559650486 1059479839 /nfs/dbraw/zinc/47/98/39/1059479839.db2.gz GBULKOFJMKPGST-CYBMUJFWSA-N 1 2 312.363 4.264 20 30 DIEDLO Cc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)cc1C#N ZINC001559650486 1059479850 /nfs/dbraw/zinc/47/98/50/1059479850.db2.gz GBULKOFJMKPGST-CYBMUJFWSA-N 1 2 312.363 4.264 20 30 DIEDLO Cc1ccc(C[N@H+](Cc2ccco2)Cc2cccnc2)cc1C#N ZINC001559677173 1059502372 /nfs/dbraw/zinc/50/23/72/1059502372.db2.gz BBEGJGGKWUGHIN-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2cccnc2)cc1C#N ZINC001559677173 1059502386 /nfs/dbraw/zinc/50/23/86/1059502386.db2.gz BBEGJGGKWUGHIN-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO C=C(CC)C[N@@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001559678357 1059507347 /nfs/dbraw/zinc/50/73/47/1059507347.db2.gz VRAXLBBRBNWNLA-INIZCTEOSA-N 1 2 309.837 4.232 20 30 DIEDLO C=C(CC)C[N@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001559678357 1059507351 /nfs/dbraw/zinc/50/73/51/1059507351.db2.gz VRAXLBBRBNWNLA-INIZCTEOSA-N 1 2 309.837 4.232 20 30 DIEDLO COc1ccc(C[N@H+](CCC#N)C2CCCC2)c(OC)c1Cl ZINC001248798874 1059978218 /nfs/dbraw/zinc/97/82/18/1059978218.db2.gz IEIRFXNDWOMFFJ-UHFFFAOYSA-N 1 2 322.836 4.015 20 30 DIEDLO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(OC)c1Cl ZINC001248798874 1059978246 /nfs/dbraw/zinc/97/82/46/1059978246.db2.gz IEIRFXNDWOMFFJ-UHFFFAOYSA-N 1 2 322.836 4.015 20 30 DIEDLO C#CC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2Cl)CC1 ZINC001250277059 1060749077 /nfs/dbraw/zinc/74/90/77/1060749077.db2.gz RTZMUQYJNYQCIS-UHFFFAOYSA-N 1 2 319.729 4.343 20 30 DIEDLO N#Cc1cnccc1C[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC001473286601 1061057642 /nfs/dbraw/zinc/05/76/42/1061057642.db2.gz KYLGVXSDYKUBIF-UHFFFAOYSA-N 1 2 323.415 4.427 20 30 DIEDLO N#Cc1cnccc1C[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC001473286601 1061057654 /nfs/dbraw/zinc/05/76/54/1061057654.db2.gz KYLGVXSDYKUBIF-UHFFFAOYSA-N 1 2 323.415 4.427 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)c1ccc(F)cc1 ZINC001462273900 1061069313 /nfs/dbraw/zinc/06/93/13/1061069313.db2.gz BOURWNSKIIKONK-HNNXBMFYSA-N 1 2 323.198 4.179 20 30 DIEDLO C=C(Cl)C[C@@H]([NH2+][C@@H](CC)CCc1ccccc1)C(=O)OCC ZINC001462504592 1061213258 /nfs/dbraw/zinc/21/32/58/1061213258.db2.gz IWQFRPTZSJPNCL-DLBZAZTESA-N 1 2 323.864 4.062 20 30 DIEDLO C=C(C)C[C@@H]([NH2+]CCc1ccc(C(C)(C)C)cc1)C(=O)OCC ZINC001462545862 1061252126 /nfs/dbraw/zinc/25/21/26/1061252126.db2.gz BKEPJKGQIOTRLK-GOSISDBHSA-N 1 2 317.473 4.014 20 30 DIEDLO C=C(Br)C[N@H+](C)[C@H](C)CSc1ccccc1 ZINC001473615735 1061291935 /nfs/dbraw/zinc/29/19/35/1061291935.db2.gz IKVYJSLFVRAOQA-GFCCVEGCSA-N 1 2 300.265 4.008 20 30 DIEDLO C=C(Br)C[N@@H+](C)[C@H](C)CSc1ccccc1 ZINC001473615735 1061291923 /nfs/dbraw/zinc/29/19/23/1061291923.db2.gz IKVYJSLFVRAOQA-GFCCVEGCSA-N 1 2 300.265 4.008 20 30 DIEDLO N#CC1(c2ccc(C[N@@H+]3Cc4cccc(Cl)c4C3)cc2)CC1 ZINC001462633761 1061310734 /nfs/dbraw/zinc/31/07/34/1061310734.db2.gz HYLNGGMHCKLKQZ-UHFFFAOYSA-N 1 2 308.812 4.411 20 30 DIEDLO N#CC1(c2ccc(C[N@H+]3Cc4cccc(Cl)c4C3)cc2)CC1 ZINC001462633761 1061310749 /nfs/dbraw/zinc/31/07/49/1061310749.db2.gz HYLNGGMHCKLKQZ-UHFFFAOYSA-N 1 2 308.812 4.411 20 30 DIEDLO C=CCCCCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001473835941 1061429321 /nfs/dbraw/zinc/42/93/21/1061429321.db2.gz UVUGQKHMNDZAMK-SFHVURJKSA-N 1 2 317.473 4.275 20 30 DIEDLO C=CCC[C@H]1CCC[N@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC001473857416 1061437721 /nfs/dbraw/zinc/43/77/21/1061437721.db2.gz RDNYUJSKRFFFRQ-VIFPVBQESA-N 1 2 305.290 4.313 20 30 DIEDLO C=CCC[C@H]1CCC[N@@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC001473857416 1061437728 /nfs/dbraw/zinc/43/77/28/1061437728.db2.gz RDNYUJSKRFFFRQ-VIFPVBQESA-N 1 2 305.290 4.313 20 30 DIEDLO CC(C)(C#N)c1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001473946034 1061488915 /nfs/dbraw/zinc/48/89/15/1061488915.db2.gz BVNHOBVUINMSFO-UHFFFAOYSA-N 1 2 316.408 4.286 20 30 DIEDLO Cc1cc(N(Cc2ccc(C#N)cc2)C2CC2)nc(C2CCC2)[nH+]1 ZINC001458282744 1061674835 /nfs/dbraw/zinc/67/48/35/1061674835.db2.gz JFOJHGCSWLNHOD-UHFFFAOYSA-N 1 2 318.424 4.093 20 30 DIEDLO CCCCCCCCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001465532111 1061771273 /nfs/dbraw/zinc/77/12/73/1061771273.db2.gz QXUISEAOCXCMCK-UHFFFAOYSA-N 1 2 302.422 4.125 20 30 DIEDLO C=CCCCCCC[C@@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001253228756 1061833765 /nfs/dbraw/zinc/83/37/65/1061833765.db2.gz KTNVEYIDQQLVRL-LJQANCHMSA-N 1 2 313.445 4.172 20 30 DIEDLO CCCCCCC[C@@H](C)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC001465948618 1061845673 /nfs/dbraw/zinc/84/56/73/1061845673.db2.gz IEWWTAJWEJCRBC-CQSZACIVSA-N 1 2 305.466 4.238 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CCCC1 ZINC001474296112 1061863284 /nfs/dbraw/zinc/86/32/84/1061863284.db2.gz ZQUPUAPSFZTACH-UHFFFAOYSA-N 1 2 301.192 4.306 20 30 DIEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](CCC#N)CCC(C)C ZINC001474339269 1061935772 /nfs/dbraw/zinc/93/57/72/1061935772.db2.gz HEHASXNELHCEQM-UHFFFAOYSA-N 1 2 324.472 4.251 20 30 DIEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+](CCC#N)CCC(C)C ZINC001474339269 1061935801 /nfs/dbraw/zinc/93/58/01/1061935801.db2.gz HEHASXNELHCEQM-UHFFFAOYSA-N 1 2 324.472 4.251 20 30 DIEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254350295 1062081173 /nfs/dbraw/zinc/08/11/73/1062081173.db2.gz ZTVGCWZBSVUZQD-XBMUEBEBSA-N 1 2 313.420 4.058 20 30 DIEDLO C=CC[N@H+](CC1CCCCC1)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC001459484069 1062161143 /nfs/dbraw/zinc/16/11/43/1062161143.db2.gz LISVFYJCXCQNSD-GOSISDBHSA-N 1 2 319.420 4.108 20 30 DIEDLO C=CC[N@@H+](CC1CCCCC1)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC001459484069 1062161154 /nfs/dbraw/zinc/16/11/54/1062161154.db2.gz LISVFYJCXCQNSD-GOSISDBHSA-N 1 2 319.420 4.108 20 30 DIEDLO C#CC[N@@H+](Cc1ccsc1C(F)(F)F)Cc1ccccc1 ZINC001474512646 1062194592 /nfs/dbraw/zinc/19/45/92/1062194592.db2.gz QNQWJSLSYYQNRB-UHFFFAOYSA-N 1 2 309.356 4.402 20 30 DIEDLO C#CC[N@H+](Cc1ccsc1C(F)(F)F)Cc1ccccc1 ZINC001474512646 1062194607 /nfs/dbraw/zinc/19/46/07/1062194607.db2.gz QNQWJSLSYYQNRB-UHFFFAOYSA-N 1 2 309.356 4.402 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254619524 1062201614 /nfs/dbraw/zinc/20/16/14/1062201614.db2.gz ITLHDRTVQOKZBZ-UHFFFAOYSA-N 1 2 302.368 4.081 20 30 DIEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC001255164842 1062350699 /nfs/dbraw/zinc/35/06/99/1062350699.db2.gz OUSBXFDZHIQAPW-IUODEOHRSA-N 1 2 307.235 4.278 20 30 DIEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001255164842 1062350719 /nfs/dbraw/zinc/35/07/19/1062350719.db2.gz OUSBXFDZHIQAPW-IUODEOHRSA-N 1 2 307.235 4.278 20 30 DIEDLO CCC(C#N)(CC)[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001256217681 1062749429 /nfs/dbraw/zinc/74/94/29/1062749429.db2.gz KSNQOHUNOHNMER-ZDUSSCGKSA-N 1 2 323.278 4.442 20 30 DIEDLO N#CC1([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC001256300183 1062768443 /nfs/dbraw/zinc/76/84/43/1062768443.db2.gz DJEWXEJBYUFBAT-UHFFFAOYSA-N 1 2 317.864 4.125 20 30 DIEDLO FC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001460659209 1062969370 /nfs/dbraw/zinc/96/93/70/1062969370.db2.gz OFTBLYNYHDQZKI-KRWDZBQOSA-N 1 2 305.755 4.131 20 30 DIEDLO CC1CC[NH+](c2ccc(Nc3ncc(C#N)cc3F)cc2)CC1 ZINC001472704151 1063165051 /nfs/dbraw/zinc/16/50/51/1063165051.db2.gz TVHNWVVBJICZSS-UHFFFAOYSA-N 1 2 310.376 4.072 20 30 DIEDLO C=CCCC[C@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001461005167 1063181128 /nfs/dbraw/zinc/18/11/28/1063181128.db2.gz CDGPTHPJPXGFSP-FQEVSTJZSA-N 1 2 322.452 4.455 20 30 DIEDLO CCCCCC1CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001257374279 1063242583 /nfs/dbraw/zinc/24/25/83/1063242583.db2.gz WBADDIMRGQASGK-BDVYOWHSSA-N 1 2 307.503 4.400 20 30 DIEDLO CCCCCC1CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001257374279 1063242601 /nfs/dbraw/zinc/24/26/01/1063242601.db2.gz WBADDIMRGQASGK-BDVYOWHSSA-N 1 2 307.503 4.400 20 30 DIEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257822291 1063394498 /nfs/dbraw/zinc/39/44/98/1063394498.db2.gz XSLYAVVCARTVAL-CTWPCTMYSA-N 1 2 300.446 4.042 20 30 DIEDLO C=CCCCCC[N@@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC001473123819 1063426985 /nfs/dbraw/zinc/42/69/85/1063426985.db2.gz IISFKWHQCUVWHZ-UHFFFAOYSA-N 1 2 309.837 4.061 20 30 DIEDLO C=CCCCCC[N@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC001473123819 1063426996 /nfs/dbraw/zinc/42/69/96/1063426996.db2.gz IISFKWHQCUVWHZ-UHFFFAOYSA-N 1 2 309.837 4.061 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001473149193 1063453479 /nfs/dbraw/zinc/45/34/79/1063453479.db2.gz PTDMQLDBEMFJCI-CYBMUJFWSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001473149193 1063453482 /nfs/dbraw/zinc/45/34/82/1063453482.db2.gz PTDMQLDBEMFJCI-CYBMUJFWSA-N 1 2 311.816 4.332 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(Cl)cc2c1OCC2 ZINC001461903341 1063789256 /nfs/dbraw/zinc/78/92/56/1063789256.db2.gz ZWJKYJBAJJQDOT-UHFFFAOYSA-N 1 2 320.864 4.427 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(Cl)cc2c1OCC2 ZINC001461903341 1063789273 /nfs/dbraw/zinc/78/92/73/1063789273.db2.gz ZWJKYJBAJJQDOT-UHFFFAOYSA-N 1 2 320.864 4.427 20 30 DIEDLO Cc1cc(C[N@@H+]2CCc3c(F)cc(F)cc3[C@H]2C)ccc1C#N ZINC001461930385 1063817787 /nfs/dbraw/zinc/81/77/87/1063817787.db2.gz SAFSVLFJYFIZLA-CYBMUJFWSA-N 1 2 312.363 4.264 20 30 DIEDLO Cc1cc(C[N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)ccc1C#N ZINC001461930385 1063817795 /nfs/dbraw/zinc/81/77/95/1063817795.db2.gz SAFSVLFJYFIZLA-CYBMUJFWSA-N 1 2 312.363 4.264 20 30 DIEDLO C=CC(C)(C)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001264577971 1064112638 /nfs/dbraw/zinc/11/26/38/1064112638.db2.gz GRLMTUOCMVXXBK-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO CCCCCCCCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001291981727 1064753340 /nfs/dbraw/zinc/75/33/40/1064753340.db2.gz ODBPLBGZPXMCMJ-UHFFFAOYSA-N 1 2 301.434 4.157 20 30 DIEDLO C=CCCCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC001307485230 1065430175 /nfs/dbraw/zinc/43/01/75/1065430175.db2.gz DLSNPVGBJFFRGH-INIZCTEOSA-N 1 2 309.837 4.232 20 30 DIEDLO C=CCCCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC001307485230 1065430182 /nfs/dbraw/zinc/43/01/82/1065430182.db2.gz DLSNPVGBJFFRGH-INIZCTEOSA-N 1 2 309.837 4.232 20 30 DIEDLO C=CCCCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC001307485231 1065430791 /nfs/dbraw/zinc/43/07/91/1065430791.db2.gz DLSNPVGBJFFRGH-MRXNPFEDSA-N 1 2 309.837 4.232 20 30 DIEDLO C=CCCCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC001307485231 1065430807 /nfs/dbraw/zinc/43/08/07/1065430807.db2.gz DLSNPVGBJFFRGH-MRXNPFEDSA-N 1 2 309.837 4.232 20 30 DIEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001307522932 1065462218 /nfs/dbraw/zinc/46/22/18/1065462218.db2.gz CZUQPJGRQDSSEZ-IBGZPJMESA-N 1 2 312.844 4.257 20 30 DIEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC001307522932 1065462226 /nfs/dbraw/zinc/46/22/26/1065462226.db2.gz CZUQPJGRQDSSEZ-IBGZPJMESA-N 1 2 312.844 4.257 20 30 DIEDLO C=C(Br)C[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC001307900881 1065673164 /nfs/dbraw/zinc/67/31/64/1065673164.db2.gz IODHWNYMVFTSEI-UHFFFAOYSA-N 1 2 308.219 4.390 20 30 DIEDLO C=C(Br)C[N@H+](C)Cc1oc2c(cccc2C)c1C ZINC001307900881 1065673167 /nfs/dbraw/zinc/67/31/67/1065673167.db2.gz IODHWNYMVFTSEI-UHFFFAOYSA-N 1 2 308.219 4.390 20 30 DIEDLO C=CCCCC[N@H+]1CCCC[C@H]1c1ncc(Br)cn1 ZINC001308088861 1065757604 /nfs/dbraw/zinc/75/76/04/1065757604.db2.gz VZDQZURHONFLHS-AWEZNQCLSA-N 1 2 324.266 4.122 20 30 DIEDLO C=CCCCC[N@@H+]1CCCC[C@H]1c1ncc(Br)cn1 ZINC001308088861 1065757614 /nfs/dbraw/zinc/75/76/14/1065757614.db2.gz VZDQZURHONFLHS-AWEZNQCLSA-N 1 2 324.266 4.122 20 30 DIEDLO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1c(F)cccc1F ZINC001308094555 1065759840 /nfs/dbraw/zinc/75/98/40/1065759840.db2.gz JPGMKQGVOKQVGI-GFCCVEGCSA-N 1 2 305.755 4.321 20 30 DIEDLO C#CC[N@H+](Cc1nc(-c2ccccc2Cl)cs1)C(C)C ZINC001308098098 1065761874 /nfs/dbraw/zinc/76/18/74/1065761874.db2.gz KMSHYRWORHIHSP-UHFFFAOYSA-N 1 2 304.846 4.307 20 30 DIEDLO C#CC[N@@H+](Cc1nc(-c2ccccc2Cl)cs1)C(C)C ZINC001308098098 1065761884 /nfs/dbraw/zinc/76/18/84/1065761884.db2.gz KMSHYRWORHIHSP-UHFFFAOYSA-N 1 2 304.846 4.307 20 30 DIEDLO C#CC[N@@H+](Cc1c(F)cccc1F)[C@@H]1CCCc2ccccc21 ZINC001308104569 1065765788 /nfs/dbraw/zinc/76/57/88/1065765788.db2.gz RQQQVSVSQDGDKX-HXUWFJFHSA-N 1 2 311.375 4.478 20 30 DIEDLO C#CC[N@H+](Cc1c(F)cccc1F)[C@@H]1CCCc2ccccc21 ZINC001308104569 1065765796 /nfs/dbraw/zinc/76/57/96/1065765796.db2.gz RQQQVSVSQDGDKX-HXUWFJFHSA-N 1 2 311.375 4.478 20 30 DIEDLO C=CCOc1cccc(CNc2ccc3c(c2)CCC[N@H+]3C)c1 ZINC001308321446 1065910729 /nfs/dbraw/zinc/91/07/29/1065910729.db2.gz KWVLVVMQELLTAK-UHFFFAOYSA-N 1 2 308.425 4.246 20 30 DIEDLO C=CCOc1cccc(CNc2ccc3c(c2)CCC[N@@H+]3C)c1 ZINC001308321446 1065910743 /nfs/dbraw/zinc/91/07/43/1065910743.db2.gz KWVLVVMQELLTAK-UHFFFAOYSA-N 1 2 308.425 4.246 20 30 DIEDLO CC(C)(C)n1c2ccccc2[nH+]c1NCc1csc(C#N)c1 ZINC001308506317 1066033559 /nfs/dbraw/zinc/03/35/59/1066033559.db2.gz UXOKFJMFRLFLEO-UHFFFAOYSA-N 1 2 310.426 4.337 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)c(O)cc1Cl ZINC001308656039 1066139088 /nfs/dbraw/zinc/13/90/88/1066139088.db2.gz ICBVBHYLKNXFDJ-UHFFFAOYSA-N 1 2 323.845 4.304 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)c(O)cc1Cl ZINC001308656039 1066139091 /nfs/dbraw/zinc/13/90/91/1066139091.db2.gz ICBVBHYLKNXFDJ-UHFFFAOYSA-N 1 2 323.845 4.304 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)C[C@@H](C)CC(C)C)C(=O)OCC ZINC001308901199 1066379782 /nfs/dbraw/zinc/37/97/82/1066379782.db2.gz QNAMBIVPSPRSOT-CFVMTHIKSA-N 1 2 303.874 4.111 20 30 DIEDLO C=C(C)C[C@@H](C)c1nc(Cn2c(CC)[nH+]c3ccccc32)no1 ZINC000289644873 335062323 /nfs/dbraw/zinc/06/23/23/335062323.db2.gz JRILFKAXZWJFLT-CYBMUJFWSA-N 1 2 310.401 4.100 20 30 DIEDLO C[C@H]1C[C@@H]([NH2+]c2ccc(OCc3cccc(C#N)c3)cc2)CCO1 ZINC000272696631 130053952 /nfs/dbraw/zinc/05/39/52/130053952.db2.gz VIDDKHHRLPWGOW-KXBFYZLASA-N 1 2 322.408 4.117 20 30 DIEDLO Cc1[nH+]c(C(C)C)ccc1CN(C#N)c1ccc(F)c(C#N)c1 ZINC000292592130 131660606 /nfs/dbraw/zinc/66/06/06/131660606.db2.gz GVFFPYLGFQAVID-UHFFFAOYSA-N 1 2 308.360 4.012 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)c(Cl)cc1Cl ZINC000558237597 331886053 /nfs/dbraw/zinc/88/60/53/331886053.db2.gz VSKWUSUAWQHKNO-VIFPVBQESA-N 1 2 324.186 4.250 20 30 DIEDLO C=C1CC[NH+](Cc2csc(-c3ccc(OCC)cc3)n2)CC1 ZINC000518162319 331994330 /nfs/dbraw/zinc/99/43/30/331994330.db2.gz OBFKSQHOKNCHIV-UHFFFAOYSA-N 1 2 314.454 4.361 20 30 DIEDLO CC(C)(C)c1[nH]c2ccc(NC(=O)c3cc(C#N)cs3)cc2[nH+]1 ZINC000084258703 332000821 /nfs/dbraw/zinc/00/08/21/332000821.db2.gz JBFDDYQQXXYREA-UHFFFAOYSA-N 1 2 324.409 4.046 20 30 DIEDLO N#Cc1csc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1 ZINC000084283310 332001028 /nfs/dbraw/zinc/00/10/28/332001028.db2.gz PBMMAAOUDUMSEI-UHFFFAOYSA-N 1 2 322.393 4.016 20 30 DIEDLO C=CCCc1ccccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000410378390 332120987 /nfs/dbraw/zinc/12/09/87/332120987.db2.gz AUGWZZSEOXVQCF-UHFFFAOYSA-N 1 2 317.392 4.243 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000093081391 332133919 /nfs/dbraw/zinc/13/39/19/332133919.db2.gz GNGXZLLLQCJACJ-INIZCTEOSA-N 1 2 306.837 4.043 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000093081391 332133920 /nfs/dbraw/zinc/13/39/20/332133920.db2.gz GNGXZLLLQCJACJ-INIZCTEOSA-N 1 2 306.837 4.043 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc2c(c1)CCCC2 ZINC000427242249 332186480 /nfs/dbraw/zinc/18/64/80/332186480.db2.gz MUJSTLRQMPLFFD-UHFFFAOYSA-N 1 2 321.424 4.255 20 30 DIEDLO C=CCC(C)(C)c1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000560024249 332303000 /nfs/dbraw/zinc/30/30/00/332303000.db2.gz JCWLZXVQQPKWGW-INIZCTEOSA-N 1 2 311.429 4.260 20 30 DIEDLO C=CCC(C)(C)c1noc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000560024249 332303001 /nfs/dbraw/zinc/30/30/01/332303001.db2.gz JCWLZXVQQPKWGW-INIZCTEOSA-N 1 2 311.429 4.260 20 30 DIEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000560277109 332326698 /nfs/dbraw/zinc/32/66/98/332326698.db2.gz OFQOLCTYAUIARO-JKSUJKDBSA-N 1 2 300.446 4.201 20 30 DIEDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000583354123 332347665 /nfs/dbraw/zinc/34/76/65/332347665.db2.gz YVQJLJLDMFDJIB-UHFFFAOYSA-N 1 2 316.326 4.401 20 30 DIEDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000583354123 332347667 /nfs/dbraw/zinc/34/76/67/332347667.db2.gz YVQJLJLDMFDJIB-UHFFFAOYSA-N 1 2 316.326 4.401 20 30 DIEDLO N#Cc1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)cc1Cl ZINC000106168447 332996581 /nfs/dbraw/zinc/99/65/81/332996581.db2.gz BRYORYWZQFGIQG-UHFFFAOYSA-N 1 2 317.179 4.125 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cn(C(C)C)nc1C)c1ccc(Cl)cc1F ZINC000491303555 333019736 /nfs/dbraw/zinc/01/97/36/333019736.db2.gz BJRFENZSOVGRHE-KRWDZBQOSA-N 1 2 319.811 4.029 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000174846583 333091804 /nfs/dbraw/zinc/09/18/04/333091804.db2.gz RAXPKFJETWPPSI-MRXNPFEDSA-N 1 2 306.837 4.043 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000174846583 333091805 /nfs/dbraw/zinc/09/18/05/333091805.db2.gz RAXPKFJETWPPSI-MRXNPFEDSA-N 1 2 306.837 4.043 20 30 DIEDLO N#C[C@@H]1CCC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000185740756 333213010 /nfs/dbraw/zinc/21/30/10/333213010.db2.gz KRIPNAHHCAIODE-QAPCUYQASA-N 1 2 320.440 4.381 20 30 DIEDLO N#C[C@H]1CCC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000185740695 333213021 /nfs/dbraw/zinc/21/30/21/333213021.db2.gz KRIPNAHHCAIODE-MAUKXSAKSA-N 1 2 320.440 4.381 20 30 DIEDLO N#C[C@H]1CCC[C@@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000185741281 333213026 /nfs/dbraw/zinc/21/30/26/333213026.db2.gz JOSPYNZIBYLMHB-MAUKXSAKSA-N 1 2 320.440 4.381 20 30 DIEDLO C[C@@H](C[N@H+](CCC#N)Cc1cccnc1)c1cccc(Cl)c1 ZINC000189533994 333259019 /nfs/dbraw/zinc/25/90/19/333259019.db2.gz OHZYLMSTEMHOPU-HNNXBMFYSA-N 1 2 313.832 4.254 20 30 DIEDLO C[C@@H](C[N@@H+](CCC#N)Cc1cccnc1)c1cccc(Cl)c1 ZINC000189533994 333259021 /nfs/dbraw/zinc/25/90/21/333259021.db2.gz OHZYLMSTEMHOPU-HNNXBMFYSA-N 1 2 313.832 4.254 20 30 DIEDLO C[C@@H]([NH2+][C@@H](CCc1ccccc1)C(F)F)c1ccc(C#N)cc1 ZINC000497550051 333261711 /nfs/dbraw/zinc/26/17/11/333261711.db2.gz JKNVXMRUTGDAQF-KDOFPFPSSA-N 1 2 314.379 4.475 20 30 DIEDLO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000531448855 333354382 /nfs/dbraw/zinc/35/43/82/333354382.db2.gz XHBLSNFCWAOYAD-HKUYNNGSSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000531448855 333354383 /nfs/dbraw/zinc/35/43/83/333354383.db2.gz XHBLSNFCWAOYAD-HKUYNNGSSA-N 1 2 324.399 4.106 20 30 DIEDLO C=CC(C)(C)c1nc(Cn2c3ccccc3[nH+]c2C(C)C)no1 ZINC000296970325 335150413 /nfs/dbraw/zinc/15/04/13/335150413.db2.gz RMQZBQYLEBVMDI-UHFFFAOYSA-N 1 2 310.401 4.055 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1cc2n(n1)CCC2)c1ccc(F)c(F)c1 ZINC000414130588 333899765 /nfs/dbraw/zinc/89/97/65/333899765.db2.gz JQNBOYOYJUEYDY-KZULUSFZSA-N 1 2 317.383 4.076 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000271130678 334019064 /nfs/dbraw/zinc/01/90/64/334019064.db2.gz NZMZJJRCVCRQTJ-LBPRGKRZSA-N 1 2 311.410 4.148 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000271130678 334019065 /nfs/dbraw/zinc/01/90/65/334019065.db2.gz NZMZJJRCVCRQTJ-LBPRGKRZSA-N 1 2 311.410 4.148 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000343545638 335171101 /nfs/dbraw/zinc/17/11/01/335171101.db2.gz YYPXDHJZLDVJAL-SJLPKXTDSA-N 1 2 323.465 4.292 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000343545638 335171102 /nfs/dbraw/zinc/17/11/02/335171102.db2.gz YYPXDHJZLDVJAL-SJLPKXTDSA-N 1 2 323.465 4.292 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000272477035 334035197 /nfs/dbraw/zinc/03/51/97/334035197.db2.gz ANKOIZDTGYIBAY-UHFFFAOYSA-N 1 2 315.804 4.121 20 30 DIEDLO CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000287018308 334156070 /nfs/dbraw/zinc/15/60/70/334156070.db2.gz JOUVBBNWORAGQF-GOSISDBHSA-N 1 2 309.369 4.061 20 30 DIEDLO CCCCCCCC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000293817168 334202663 /nfs/dbraw/zinc/20/26/63/334202663.db2.gz CXBDSCKYEKYLGD-GOSISDBHSA-N 1 2 313.445 4.318 20 30 DIEDLO Cc1c(Br)cccc1C[N@H+](CC#N)C1CCCC1 ZINC000534868427 334342346 /nfs/dbraw/zinc/34/23/46/334342346.db2.gz BLYPMZGWMSLJMP-UHFFFAOYSA-N 1 2 307.235 4.026 20 30 DIEDLO Cc1c(Br)cccc1C[N@@H+](CC#N)C1CCCC1 ZINC000534868427 334342347 /nfs/dbraw/zinc/34/23/47/334342347.db2.gz BLYPMZGWMSLJMP-UHFFFAOYSA-N 1 2 307.235 4.026 20 30 DIEDLO C=CC[N@H+](Cc1ccc(C(F)(F)F)cn1)Cc1ccccc1F ZINC000563680549 334354653 /nfs/dbraw/zinc/35/46/53/334354653.db2.gz ZIWYCGDMYVDNOH-UHFFFAOYSA-N 1 2 324.321 4.428 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)Cc1ccccc1F ZINC000563680549 334354654 /nfs/dbraw/zinc/35/46/54/334354654.db2.gz ZIWYCGDMYVDNOH-UHFFFAOYSA-N 1 2 324.321 4.428 20 30 DIEDLO N#CCc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000342443814 334541962 /nfs/dbraw/zinc/54/19/62/334541962.db2.gz VNOBDZNOBILSHK-GOSISDBHSA-N 1 2 319.433 4.088 20 30 DIEDLO Cc1ccc(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC000342510133 334548246 /nfs/dbraw/zinc/54/82/46/334548246.db2.gz FUTZRNHQLUWPSM-UHFFFAOYSA-N 1 2 324.399 4.049 20 30 DIEDLO C=CC[C@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1(C)C ZINC000443872424 338462434 /nfs/dbraw/zinc/46/24/34/338462434.db2.gz ZZCHXLPTCZOYJC-GOSISDBHSA-N 1 2 323.440 4.079 20 30 DIEDLO Cc1nc(C(C)(C)C)sc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000331238088 334849671 /nfs/dbraw/zinc/84/96/71/334849671.db2.gz IKFYSOGTDOAJQL-UHFFFAOYSA-N 1 2 303.431 4.397 20 30 DIEDLO COc1cc[nH+]cc1CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000344066916 335214797 /nfs/dbraw/zinc/21/47/97/335214797.db2.gz FEDVVQLDPGIVKZ-UHFFFAOYSA-N 1 2 324.327 4.273 20 30 DIEDLO C=CCC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000345028582 335293112 /nfs/dbraw/zinc/29/31/12/335293112.db2.gz MHLWNGWJQFAVQF-OAHLLOKOSA-N 1 2 309.335 4.226 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1nc2c(s1)CCC2 ZINC000346870420 335446570 /nfs/dbraw/zinc/44/65/70/335446570.db2.gz UTWBMMFCGICCCE-WDEREUQCSA-N 1 2 315.417 4.054 20 30 DIEDLO C=C[C@@H](CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccccc1 ZINC000536165748 335827778 /nfs/dbraw/zinc/82/77/78/335827778.db2.gz OJNRGPPZNWEEDY-HNNXBMFYSA-N 1 2 317.392 4.375 20 30 DIEDLO CC[C@H](OC1CCCCC1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000329955372 336099479 /nfs/dbraw/zinc/09/94/79/336099479.db2.gz OZSQURMDVFTZCN-INIZCTEOSA-N 1 2 315.417 4.359 20 30 DIEDLO CC[N@H+](Cc1ncc(Cl)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000351987737 336186039 /nfs/dbraw/zinc/18/60/39/336186039.db2.gz ABKVAAQSHFDEDD-LLVKDONJSA-N 1 2 305.834 4.251 20 30 DIEDLO CC[N@@H+](Cc1ncc(Cl)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000351987737 336186041 /nfs/dbraw/zinc/18/60/41/336186041.db2.gz ABKVAAQSHFDEDD-LLVKDONJSA-N 1 2 305.834 4.251 20 30 DIEDLO CC(C)[N@H+](Cc1ncc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000352010242 336188584 /nfs/dbraw/zinc/18/85/84/336188584.db2.gz AHFVWTMRFKSYKO-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO CC(C)[N@@H+](Cc1ncc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000352010242 336188585 /nfs/dbraw/zinc/18/85/85/336188585.db2.gz AHFVWTMRFKSYKO-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO N#Cc1csc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000352839339 336274275 /nfs/dbraw/zinc/27/42/75/336274275.db2.gz JPUCOCHTGFXHOA-LBPRGKRZSA-N 1 2 324.236 4.099 20 30 DIEDLO N#Cc1cc(Cl)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301180121 336293557 /nfs/dbraw/zinc/29/35/57/336293557.db2.gz HNMOIUJBKIJEPI-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO N#Cc1cc(Cl)ccc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000301201267 336294641 /nfs/dbraw/zinc/29/46/41/336294641.db2.gz PLWJIXFVQHTRQF-UHFFFAOYSA-N 1 2 317.179 4.125 20 30 DIEDLO CCn1c(CCNc2ccc(Cl)cc2C#N)[nH+]c2ccccc21 ZINC000301208080 336294878 /nfs/dbraw/zinc/29/48/78/336294878.db2.gz SMXCUEQGSPASOG-UHFFFAOYSA-N 1 2 324.815 4.236 20 30 DIEDLO N#Cc1cc(F)ccc1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000301362592 336302563 /nfs/dbraw/zinc/30/25/63/336302563.db2.gz MMFIQYOMLKRQSE-UHFFFAOYSA-N 1 2 324.403 4.085 20 30 DIEDLO Cc1sc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)nc1C(C)C ZINC000358558688 336634505 /nfs/dbraw/zinc/63/45/05/336634505.db2.gz CYAPPFNSFZPONX-NSHDSACASA-N 1 2 317.433 4.437 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCC1 ZINC000418136185 336897036 /nfs/dbraw/zinc/89/70/36/336897036.db2.gz CEFZEQUYYMASPN-UHFFFAOYSA-N 1 2 300.789 4.383 20 30 DIEDLO N#C[C@H]1CCC[C@@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)C1 ZINC000377084992 337046484 /nfs/dbraw/zinc/04/64/84/337046484.db2.gz VJGOCYCTBZAYBJ-DOTOQJQBSA-N 1 2 320.440 4.381 20 30 DIEDLO CCC(CC)CN(CCC#N)Cc1[nH+]ccn1Cc1ccccc1 ZINC000173555283 337136433 /nfs/dbraw/zinc/13/64/33/337136433.db2.gz JWYABUAEVYUBNR-UHFFFAOYSA-N 1 2 324.472 4.083 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000173935757 337137798 /nfs/dbraw/zinc/13/77/98/337137798.db2.gz HZTJKQGMKXVGJI-AWEZNQCLSA-N 1 2 303.365 4.064 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000184895822 337200745 /nfs/dbraw/zinc/20/07/45/337200745.db2.gz KROSVOOUHRSIJF-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000192183454 337303816 /nfs/dbraw/zinc/30/38/16/337303816.db2.gz DEEWAKXLHUXQIO-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO Cc1[nH+]cc(CNc2ccc(Cl)c(C#N)c2)n1-c1ccccc1 ZINC000321984247 337309368 /nfs/dbraw/zinc/30/93/68/337309368.db2.gz PMRASVRINJCOBZ-UHFFFAOYSA-N 1 2 322.799 4.318 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000419243442 337477721 /nfs/dbraw/zinc/47/77/21/337477721.db2.gz JCFCEGQFXPYKEZ-UHFFFAOYSA-N 1 2 315.804 4.121 20 30 DIEDLO C=CCC[C@H](C)[NH2+][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000273476747 337659103 /nfs/dbraw/zinc/65/91/03/337659103.db2.gz KYTPIXHGIIWZMA-XHDPSFHLSA-N 1 2 305.809 4.065 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000426375994 338029556 /nfs/dbraw/zinc/02/95/56/338029556.db2.gz BSOJGDPZERTQCH-UHFFFAOYSA-N 1 2 315.848 4.440 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000426375994 338029557 /nfs/dbraw/zinc/02/95/57/338029557.db2.gz BSOJGDPZERTQCH-UHFFFAOYSA-N 1 2 315.848 4.440 20 30 DIEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1nc(C(C)(C)C)cs1 ZINC000428327766 338047456 /nfs/dbraw/zinc/04/74/56/338047456.db2.gz VDRNZMDSUIMWOM-NSHDSACASA-N 1 2 317.433 4.302 20 30 DIEDLO N#Cc1c(F)ccc(CNc2c[nH+]c3c(c2)CCCC3)c1Cl ZINC000428875745 338064213 /nfs/dbraw/zinc/06/42/13/338064213.db2.gz WPACQKXCEQPBDV-UHFFFAOYSA-N 1 2 315.779 4.237 20 30 DIEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cc2cccc(F)c2o1 ZINC000428941815 338065716 /nfs/dbraw/zinc/06/57/16/338065716.db2.gz KSMJZVRFCDNMFU-LLVKDONJSA-N 1 2 312.319 4.433 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(F)c(-c2cccs2)c1 ZINC000430096482 338096336 /nfs/dbraw/zinc/09/63/36/338096336.db2.gz FIDSSRAUYHKLDI-UHFFFAOYSA-N 1 2 300.402 4.456 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(F)c(-c2cccs2)c1 ZINC000430096482 338096337 /nfs/dbraw/zinc/09/63/37/338096337.db2.gz FIDSSRAUYHKLDI-UHFFFAOYSA-N 1 2 300.402 4.456 20 30 DIEDLO N#Cc1ccc(NCc2c[nH+]cn2Cc2ccccc2)c(Cl)c1 ZINC000438324073 338339642 /nfs/dbraw/zinc/33/96/42/338339642.db2.gz QQFILCHDQSPPHB-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO C[N@H+](Cc1ccc(F)cc1F)Cc1ccc(C#N)cc1Cl ZINC000439431908 338369198 /nfs/dbraw/zinc/36/91/98/338369198.db2.gz AIVPNJNPOAHQAU-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)cc1F)Cc1ccc(C#N)cc1Cl ZINC000439431908 338369199 /nfs/dbraw/zinc/36/91/99/338369199.db2.gz AIVPNJNPOAHQAU-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(F)c(Cl)cc1Cl ZINC000450666153 338697220 /nfs/dbraw/zinc/69/72/20/338697220.db2.gz XJLGLZSAHGGYSN-SECBINFHSA-N 1 2 301.192 4.477 20 30 DIEDLO C[C@H](c1ccccc1)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459362600 339024735 /nfs/dbraw/zinc/02/47/35/339024735.db2.gz XMPRDJXUSRWMJH-CQSZACIVSA-N 1 2 321.380 4.192 20 30 DIEDLO C[C@H](c1ccccc1)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459362600 339024736 /nfs/dbraw/zinc/02/47/36/339024736.db2.gz XMPRDJXUSRWMJH-CQSZACIVSA-N 1 2 321.380 4.192 20 30 DIEDLO C[C@@H](c1ccccc1)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459362596 339024788 /nfs/dbraw/zinc/02/47/88/339024788.db2.gz XMPRDJXUSRWMJH-AWEZNQCLSA-N 1 2 321.380 4.192 20 30 DIEDLO C[C@@H](c1ccccc1)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459362596 339024789 /nfs/dbraw/zinc/02/47/89/339024789.db2.gz XMPRDJXUSRWMJH-AWEZNQCLSA-N 1 2 321.380 4.192 20 30 DIEDLO CCc1ccc(C(C)(C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459387642 339026399 /nfs/dbraw/zinc/02/63/99/339026399.db2.gz NHCYDLCUNNZNDE-UHFFFAOYSA-N 1 2 323.396 4.054 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)cc1 ZINC000467547251 339241936 /nfs/dbraw/zinc/24/19/36/339241936.db2.gz GAXVDDVWKIYCCE-UHFFFAOYSA-N 1 2 319.383 4.127 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)cc1 ZINC000467547251 339241937 /nfs/dbraw/zinc/24/19/37/339241937.db2.gz GAXVDDVWKIYCCE-UHFFFAOYSA-N 1 2 319.383 4.127 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(F)ccc1C#N ZINC000469003684 339277331 /nfs/dbraw/zinc/27/73/31/339277331.db2.gz QMRLBGRHLLROMZ-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(F)ccc1C#N ZINC000469003684 339277332 /nfs/dbraw/zinc/27/73/32/339277332.db2.gz QMRLBGRHLLROMZ-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO C=C(C)C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000470911961 339331011 /nfs/dbraw/zinc/33/10/11/339331011.db2.gz ATXLXEONUHOADK-UHFFFAOYSA-N 1 2 302.399 4.235 20 30 DIEDLO C=C(C)C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000470911961 339331012 /nfs/dbraw/zinc/33/10/12/339331012.db2.gz ATXLXEONUHOADK-UHFFFAOYSA-N 1 2 302.399 4.235 20 30 DIEDLO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC(F)(F)C(F)F ZINC000483426351 339665012 /nfs/dbraw/zinc/66/50/12/339665012.db2.gz NFTOCEMGYJEGSH-UHFFFAOYSA-N 1 2 303.221 4.004 20 30 DIEDLO C=C1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000496885459 340015418 /nfs/dbraw/zinc/01/54/18/340015418.db2.gz YHYCQBZYADQYMX-UHFFFAOYSA-N 1 2 300.627 4.255 20 30 DIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)Cc1ccccc1 ZINC000502647874 340109592 /nfs/dbraw/zinc/10/95/92/340109592.db2.gz NCBYJJMSRXWRQR-UHFFFAOYSA-N 1 2 322.452 4.437 20 30 DIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(C)C)Cc1ccccc1 ZINC000502647874 340109593 /nfs/dbraw/zinc/10/95/93/340109593.db2.gz NCBYJJMSRXWRQR-UHFFFAOYSA-N 1 2 322.452 4.437 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc2ccccn12 ZINC000506123719 340186200 /nfs/dbraw/zinc/18/62/00/340186200.db2.gz CHXOPEBPMTXQFV-UHFFFAOYSA-N 1 2 317.845 4.237 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc2ccccn12 ZINC000506123719 340186201 /nfs/dbraw/zinc/18/62/01/340186201.db2.gz CHXOPEBPMTXQFV-UHFFFAOYSA-N 1 2 317.845 4.237 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(OC)c(O)c1 ZINC000506124181 340186324 /nfs/dbraw/zinc/18/63/24/340186324.db2.gz FMFXVGQTKSSBCY-UHFFFAOYSA-N 1 2 323.845 4.304 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(OC)c(O)c1 ZINC000506124181 340186325 /nfs/dbraw/zinc/18/63/25/340186325.db2.gz FMFXVGQTKSSBCY-UHFFFAOYSA-N 1 2 323.845 4.304 20 30 DIEDLO CCC[N@H+](Cc1ccc(C#N)o1)Cc1c(F)cccc1Cl ZINC000508616256 340248200 /nfs/dbraw/zinc/24/82/00/340248200.db2.gz BNLJKGBXQFVDBQ-UHFFFAOYSA-N 1 2 306.768 4.356 20 30 DIEDLO CCC[N@@H+](Cc1ccc(C#N)o1)Cc1c(F)cccc1Cl ZINC000508616256 340248201 /nfs/dbraw/zinc/24/82/01/340248201.db2.gz BNLJKGBXQFVDBQ-UHFFFAOYSA-N 1 2 306.768 4.356 20 30 DIEDLO C=C(C)CCc1noc(-c2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000508684408 340250497 /nfs/dbraw/zinc/25/04/97/340250497.db2.gz ATPKTWIUCVJPBZ-UHFFFAOYSA-N 1 2 307.353 4.433 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000509815739 340280074 /nfs/dbraw/zinc/28/00/74/340280074.db2.gz ZBAZITVAIWBXDK-CYBMUJFWSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000509815739 340280075 /nfs/dbraw/zinc/28/00/75/340280075.db2.gz ZBAZITVAIWBXDK-CYBMUJFWSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000509831841 340280973 /nfs/dbraw/zinc/28/09/73/340280973.db2.gz JTYWQYXUJBOLSZ-LBPRGKRZSA-N 1 2 304.340 4.033 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000509831841 340280974 /nfs/dbraw/zinc/28/09/74/340280974.db2.gz JTYWQYXUJBOLSZ-LBPRGKRZSA-N 1 2 304.340 4.033 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(F)cc1Cl ZINC000512180216 340351095 /nfs/dbraw/zinc/35/10/95/340351095.db2.gz NHFNLFJHAGNNAQ-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(F)cc1Cl ZINC000512180216 340351096 /nfs/dbraw/zinc/35/10/96/340351096.db2.gz NHFNLFJHAGNNAQ-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C[C@@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1F ZINC000512610390 340368887 /nfs/dbraw/zinc/36/88/87/340368887.db2.gz AKHKZWPZZZIMOU-QLJPJBMISA-N 1 2 316.763 4.135 20 30 DIEDLO C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1F ZINC000512610388 340368907 /nfs/dbraw/zinc/36/89/07/340368907.db2.gz AKHKZWPZZZIMOU-MGPLVRAMSA-N 1 2 316.763 4.135 20 30 DIEDLO C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1F ZINC000512610389 340368930 /nfs/dbraw/zinc/36/89/30/340368930.db2.gz AKHKZWPZZZIMOU-QFYYESIMSA-N 1 2 316.763 4.135 20 30 DIEDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512654780 340371360 /nfs/dbraw/zinc/37/13/60/340371360.db2.gz ORYYZFJEEKSWKE-NWDGAFQWSA-N 1 2 316.351 4.257 20 30 DIEDLO C=C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000520849436 340476237 /nfs/dbraw/zinc/47/62/37/340476237.db2.gz NCXITENREUGERB-UHFFFAOYSA-N 1 2 300.627 4.255 20 30 DIEDLO Cc1ccc(C#N)c(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)n1 ZINC000543727046 341055374 /nfs/dbraw/zinc/05/53/74/341055374.db2.gz IBNMOKKWIZHERJ-OAHLLOKOSA-N 1 2 321.428 4.088 20 30 DIEDLO C=C[C@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000131447288 341089078 /nfs/dbraw/zinc/08/90/78/341089078.db2.gz WCTZTJDHMCMWDZ-MRXNPFEDSA-N 1 2 317.392 4.171 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2cc(-c3ccccc3)cs2)c1 ZINC000545218995 341114988 /nfs/dbraw/zinc/11/49/88/341114988.db2.gz DPCCMSLWGQNYLB-UHFFFAOYSA-N 1 2 305.406 4.488 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000546579919 341173299 /nfs/dbraw/zinc/17/32/99/341173299.db2.gz NCYUXJRSWHPXPO-KRWDZBQOSA-N 1 2 324.472 4.260 20 30 DIEDLO COc1cc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000564309077 341181038 /nfs/dbraw/zinc/18/10/38/341181038.db2.gz NJRZRGCOAXTUGF-QGZVFWFLSA-N 1 2 312.800 4.167 20 30 DIEDLO COc1cc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000564309077 341181039 /nfs/dbraw/zinc/18/10/39/341181039.db2.gz NJRZRGCOAXTUGF-QGZVFWFLSA-N 1 2 312.800 4.167 20 30 DIEDLO C=CCCc1csc(Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000134516562 341216835 /nfs/dbraw/zinc/21/68/35/341216835.db2.gz OEWVCJYNFJRSDM-UHFFFAOYSA-N 1 2 309.438 4.097 20 30 DIEDLO C=CC[N@H+](Cc1csc(C2CC2)n1)Cc1ccc(OC)cc1 ZINC000135113442 341231291 /nfs/dbraw/zinc/23/12/91/341231291.db2.gz LFEYZFZTGGXBSV-UHFFFAOYSA-N 1 2 314.454 4.217 20 30 DIEDLO C=CC[N@@H+](Cc1csc(C2CC2)n1)Cc1ccc(OC)cc1 ZINC000135113442 341231292 /nfs/dbraw/zinc/23/12/92/341231292.db2.gz LFEYZFZTGGXBSV-UHFFFAOYSA-N 1 2 314.454 4.217 20 30 DIEDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCC(C)(C)C#N ZINC000548731591 341270993 /nfs/dbraw/zinc/27/09/93/341270993.db2.gz INAXJHBXPXSTLS-XJKSGUPXSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCC(C)(C)C#N ZINC000548731591 341270994 /nfs/dbraw/zinc/27/09/94/341270994.db2.gz INAXJHBXPXSTLS-XJKSGUPXSA-N 1 2 306.837 4.042 20 30 DIEDLO Cc1cc([C@@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)ccc1F ZINC000249280881 341395755 /nfs/dbraw/zinc/39/57/55/341395755.db2.gz NJZHGOPWVFZNKL-QRWLVFNGSA-N 1 2 324.399 4.140 20 30 DIEDLO Cc1cc([C@@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)ccc1F ZINC000249280881 341395756 /nfs/dbraw/zinc/39/57/56/341395756.db2.gz NJZHGOPWVFZNKL-QRWLVFNGSA-N 1 2 324.399 4.140 20 30 DIEDLO CC(C)(C)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000564852759 341511423 /nfs/dbraw/zinc/51/14/23/341511423.db2.gz PKFBGXQZKHTWPX-WBMJQRKESA-N 1 2 305.372 4.085 20 30 DIEDLO C[C@@H](Nc1cccc(OCCCC#N)c1)c1cn2ccccc2[nH+]1 ZINC000576715710 341859950 /nfs/dbraw/zinc/85/99/50/341859950.db2.gz LUODJYSHTJVYEU-OAHLLOKOSA-N 1 2 320.396 4.190 20 30 DIEDLO N#Cc1ccccc1C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000339514628 526737708 /nfs/dbraw/zinc/73/77/08/526737708.db2.gz CDRHDWMOSUMDHZ-INIZCTEOSA-N 1 2 304.315 4.342 20 30 DIEDLO CC(C)(C)c1cnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000299405820 535140274 /nfs/dbraw/zinc/14/02/74/535140274.db2.gz XOFNAMCNMHTOHM-UHFFFAOYSA-N 1 2 309.413 4.008 20 30 DIEDLO CC(C)(C)c1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000299405820 535140280 /nfs/dbraw/zinc/14/02/80/535140280.db2.gz XOFNAMCNMHTOHM-UHFFFAOYSA-N 1 2 309.413 4.008 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140566353 1046784531 /nfs/dbraw/zinc/78/45/31/1046784531.db2.gz CDGCGNQYSMJKHZ-UHFFFAOYSA-N 1 2 304.743 4.484 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140566353 1046784537 /nfs/dbraw/zinc/78/45/37/1046784537.db2.gz CDGCGNQYSMJKHZ-UHFFFAOYSA-N 1 2 304.743 4.484 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1cccc(O)c1Cl)c1ccccc1 ZINC000339314951 1035514608 /nfs/dbraw/zinc/51/46/08/1035514608.db2.gz FOYAOFBWZHPMQX-OAHLLOKOSA-N 1 2 300.789 4.180 20 30 DIEDLO Cc1c2ccccc2oc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000255116995 1036568110 /nfs/dbraw/zinc/56/81/10/1036568110.db2.gz PYCWVKWNJXMBBH-KTKRTIGZSA-N 1 2 302.333 4.285 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(C(F)(F)F)cc1 ZINC000255120807 1036630616 /nfs/dbraw/zinc/63/06/16/1036630616.db2.gz WDGVACBGQGISIP-HJWRWDBZSA-N 1 2 316.282 4.249 20 30 DIEDLO Fc1ccc(C[NH+]2CC(CC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000656686606 1037793390 /nfs/dbraw/zinc/79/33/90/1037793390.db2.gz QGGXDRLIRSWRSR-UHFFFAOYSA-N 1 2 315.232 4.229 20 30 DIEDLO C=C(C)C[N@@H+](CC)Cc1csc(COc2ccc(C)cc2)n1 ZINC000071817393 1038008383 /nfs/dbraw/zinc/00/83/83/1038008383.db2.gz VQPWJEIOTYCZQV-UHFFFAOYSA-N 1 2 316.470 4.429 20 30 DIEDLO C=C(C)C[N@H+](CC)Cc1csc(COc2ccc(C)cc2)n1 ZINC000071817393 1038008404 /nfs/dbraw/zinc/00/84/04/1038008404.db2.gz VQPWJEIOTYCZQV-UHFFFAOYSA-N 1 2 316.470 4.429 20 30 DIEDLO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[C@@H]1C#N ZINC000602975960 1038119895 /nfs/dbraw/zinc/11/98/95/1038119895.db2.gz JGMWPGIKLVBXFN-CXAGYDPISA-N 1 2 315.804 4.119 20 30 DIEDLO C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[C@@H]1C#N ZINC000602975960 1038119907 /nfs/dbraw/zinc/11/99/07/1038119907.db2.gz JGMWPGIKLVBXFN-CXAGYDPISA-N 1 2 315.804 4.119 20 30 DIEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cc(-c2ccccc2)n(C)n1 ZINC000599053102 1038230760 /nfs/dbraw/zinc/23/07/60/1038230760.db2.gz DEDQIDOXHZOMAM-MRXNPFEDSA-N 1 2 322.456 4.212 20 30 DIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000158329578 1038673818 /nfs/dbraw/zinc/67/38/18/1038673818.db2.gz WQNSBHYQMZKRFL-NSHDSACASA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000158329578 1038673822 /nfs/dbraw/zinc/67/38/22/1038673822.db2.gz WQNSBHYQMZKRFL-NSHDSACASA-N 1 2 304.315 4.169 20 30 DIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000063297903 1038696511 /nfs/dbraw/zinc/69/65/11/1038696511.db2.gz HZIYHXVFRZZBMH-UHFFFAOYSA-N 1 2 316.788 4.436 20 30 DIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000063297903 1038696516 /nfs/dbraw/zinc/69/65/16/1038696516.db2.gz HZIYHXVFRZZBMH-UHFFFAOYSA-N 1 2 316.788 4.436 20 30 DIEDLO C[C@@H](CCc1ccccc1)C[N@H+](CCC#N)Cc1cccnc1 ZINC000342682221 1038719368 /nfs/dbraw/zinc/71/93/68/1038719368.db2.gz WGVTVFLORABCEE-SFHVURJKSA-N 1 2 307.441 4.066 20 30 DIEDLO C[C@@H](CCc1ccccc1)C[N@@H+](CCC#N)Cc1cccnc1 ZINC000342682221 1038719378 /nfs/dbraw/zinc/71/93/78/1038719378.db2.gz WGVTVFLORABCEE-SFHVURJKSA-N 1 2 307.441 4.066 20 30 DIEDLO CC(C)(C)n1cc(C#N)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085790 1038965420 /nfs/dbraw/zinc/96/54/20/1038965420.db2.gz XEKNSKUUQGOIMC-UHFFFAOYSA-N 1 2 305.385 4.248 20 30 DIEDLO N#Cc1ccccc1CNc1cc[nH+]c(OCc2ccccc2)c1 ZINC001167633775 1039011844 /nfs/dbraw/zinc/01/18/44/1039011844.db2.gz BIWVIUKCIYSJMZ-UHFFFAOYSA-N 1 2 315.376 4.144 20 30 DIEDLO C[N@H+](Cc1ncc(-c2ccccc2)s1)Cc1cccc(C#N)c1 ZINC000122102748 1039064731 /nfs/dbraw/zinc/06/47/31/1039064731.db2.gz DZAKMJWAEYCGSH-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO C[N@@H+](Cc1ncc(-c2ccccc2)s1)Cc1cccc(C#N)c1 ZINC000122102748 1039064749 /nfs/dbraw/zinc/06/47/49/1039064749.db2.gz DZAKMJWAEYCGSH-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO Cc1ccc(O)c(C[N@H+](CCC#N)Cc2ccc(Cl)cc2)c1 ZINC001140622654 1039143190 /nfs/dbraw/zinc/14/31/90/1039143190.db2.gz COMRJTGEKQPEJD-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO Cc1ccc(O)c(C[N@@H+](CCC#N)Cc2ccc(Cl)cc2)c1 ZINC001140622654 1039143198 /nfs/dbraw/zinc/14/31/98/1039143198.db2.gz COMRJTGEKQPEJD-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(CCCC)n1 ZINC000491296089 1039534851 /nfs/dbraw/zinc/53/48/51/1039534851.db2.gz PTQFBKNUCDEHPU-UHFFFAOYSA-N 1 2 304.459 4.309 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(CCCC)n1 ZINC000491296089 1039534867 /nfs/dbraw/zinc/53/48/67/1039534867.db2.gz PTQFBKNUCDEHPU-UHFFFAOYSA-N 1 2 304.459 4.309 20 30 DIEDLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000271925505 1039901094 /nfs/dbraw/zinc/90/10/94/1039901094.db2.gz GGVDWDNLNWHZKQ-GHMZBOCLSA-N 1 2 303.406 4.128 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(F)cc1Cl ZINC000162243818 1039950877 /nfs/dbraw/zinc/95/08/77/1039950877.db2.gz FGGDWMWFRZDWSQ-UHFFFAOYSA-N 1 2 319.767 4.169 20 30 DIEDLO C=CCCC1(C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CCCC1 ZINC000658098685 1040303015 /nfs/dbraw/zinc/30/30/15/1040303015.db2.gz PKDRBZIJLWBEJO-HNNXBMFYSA-N 1 2 316.474 4.072 20 30 DIEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCc1ccccc1 ZINC000170806774 1041045827 /nfs/dbraw/zinc/04/58/27/1041045827.db2.gz XKZNEEVMOWWIIS-MRXNPFEDSA-N 1 2 324.424 4.008 20 30 DIEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCc1ccccc1 ZINC000170806774 1041045838 /nfs/dbraw/zinc/04/58/38/1041045838.db2.gz XKZNEEVMOWWIIS-MRXNPFEDSA-N 1 2 324.424 4.008 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1c(F)cccc1Cl ZINC000809159843 1041103202 /nfs/dbraw/zinc/10/32/02/1041103202.db2.gz XSLWTQKXIYBOMO-FPLPWBNLSA-N 1 2 300.720 4.023 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3coc4ccccc34)c[nH+]c12 ZINC000255900301 1041112918 /nfs/dbraw/zinc/11/29/18/1041112918.db2.gz DDPMQTTZWXZJKO-HJWRWDBZSA-N 1 2 302.333 4.285 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(Cl)cc1F ZINC000809700047 1041217762 /nfs/dbraw/zinc/21/77/62/1041217762.db2.gz WNNJLAUDSVIFLF-GOSISDBHSA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(Cl)cc1F ZINC000809699657 1041218790 /nfs/dbraw/zinc/21/87/90/1041218790.db2.gz VLMFAMJDWUOSHE-HNNXBMFYSA-N 1 2 324.182 4.302 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1F ZINC000809699554 1041219168 /nfs/dbraw/zinc/21/91/68/1041219168.db2.gz SVFAAISQEJSACB-SFHVURJKSA-N 1 2 316.807 4.009 20 30 DIEDLO Cc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc2)cc1 ZINC000810125079 1041314710 /nfs/dbraw/zinc/31/47/10/1041314710.db2.gz NXSAKELCBJPMBI-LJQANCHMSA-N 1 2 319.433 4.202 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cnc(C(C)C)s1)c1ccc(Cl)cc1 ZINC000811517604 1041529856 /nfs/dbraw/zinc/52/98/56/1041529856.db2.gz XLPRVEXFHJFCBN-HNNXBMFYSA-N 1 2 304.846 4.384 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cscc1C(F)(F)F)c1ccc(F)cc1 ZINC000812793820 1041650903 /nfs/dbraw/zinc/65/09/03/1041650903.db2.gz GIAMZNNCRDWHEI-CQSZACIVSA-N 1 2 313.319 4.370 20 30 DIEDLO C[C@H](Nc1[nH+]cccc1CC#N)c1ccccc1C(F)(F)F ZINC001170735239 1041796529 /nfs/dbraw/zinc/79/65/29/1041796529.db2.gz BAWCXTIMXBXYAU-NSHDSACASA-N 1 2 305.303 4.340 20 30 DIEDLO CC(=[NH+]Nc1ccccc1Br)c1cc(N)ccc1F ZINC000814792683 1041866337 /nfs/dbraw/zinc/86/63/37/1041866337.db2.gz SEERCXXEGWLOAF-UHFFFAOYSA-N 1 2 322.181 4.007 20 30 DIEDLO CC(=[NH+]Nc1cccc2ccccc21)c1cc([N+](=O)[O-])ccc1N ZINC000814823247 1041872171 /nfs/dbraw/zinc/87/21/71/1041872171.db2.gz UOUNAAWVDVNPDF-UHFFFAOYSA-N 1 2 320.352 4.166 20 30 DIEDLO CCC(=[NH+]Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(N)c1 ZINC000814900580 1041885718 /nfs/dbraw/zinc/88/57/18/1041885718.db2.gz ZIMQSFLSIPOZOL-UHFFFAOYSA-N 1 2 313.792 4.025 20 30 DIEDLO C=CC[N@H+](Cc1ncc(-c2cccc(Cl)c2)o1)[C@@H](C)COC ZINC000661249046 1041912716 /nfs/dbraw/zinc/91/27/16/1041912716.db2.gz YLELHLGAQOAAEM-ZDUSSCGKSA-N 1 2 320.820 4.018 20 30 DIEDLO C=CC[N@@H+](Cc1ncc(-c2cccc(Cl)c2)o1)[C@@H](C)COC ZINC000661249046 1041912724 /nfs/dbraw/zinc/91/27/24/1041912724.db2.gz YLELHLGAQOAAEM-ZDUSSCGKSA-N 1 2 320.820 4.018 20 30 DIEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000614182409 1042424347 /nfs/dbraw/zinc/42/43/47/1042424347.db2.gz QDSIWFMNIYITBO-GWCFXTLKSA-N 1 2 316.754 4.374 20 30 DIEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000614182409 1042424352 /nfs/dbraw/zinc/42/43/52/1042424352.db2.gz QDSIWFMNIYITBO-GWCFXTLKSA-N 1 2 316.754 4.374 20 30 DIEDLO C=C1CC[NH+](Cc2cc(Cl)c(OCCC)c(OC)c2)CC1 ZINC000513485274 1042547641 /nfs/dbraw/zinc/54/76/41/1042547641.db2.gz PIDRGKLPDINUIM-UHFFFAOYSA-N 1 2 309.837 4.289 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000513789412 1042686699 /nfs/dbraw/zinc/68/66/99/1042686699.db2.gz HWXUNQTVNHKELU-MRXNPFEDSA-N 1 2 319.408 4.486 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000513789412 1042686701 /nfs/dbraw/zinc/68/67/01/1042686701.db2.gz HWXUNQTVNHKELU-MRXNPFEDSA-N 1 2 319.408 4.486 20 30 DIEDLO N#CC1(c2ccccc2)CCC([NH2+]c2ccc3c(c2)CCN3)CC1 ZINC000423219947 1042701561 /nfs/dbraw/zinc/70/15/61/1042701561.db2.gz UYDDUZASIAXUDP-UHFFFAOYSA-N 1 2 317.436 4.471 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000513960288 1042763302 /nfs/dbraw/zinc/76/33/02/1042763302.db2.gz FEDROAPTRVVAOX-SNVBAGLBSA-N 1 2 303.258 4.177 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000513960288 1042763306 /nfs/dbraw/zinc/76/33/06/1042763306.db2.gz FEDROAPTRVVAOX-SNVBAGLBSA-N 1 2 303.258 4.177 20 30 DIEDLO Cc1cc(C)c(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000425687856 1042846597 /nfs/dbraw/zinc/84/65/97/1042846597.db2.gz VLFHKTVHBFOSDH-OAHLLOKOSA-N 1 2 322.412 4.103 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)s1 ZINC000154088898 1042973585 /nfs/dbraw/zinc/97/35/85/1042973585.db2.gz BHMZUHGKLRXMGH-GOSISDBHSA-N 1 2 323.396 4.033 20 30 DIEDLO C=CC(C)(C)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000890357590 1043049616 /nfs/dbraw/zinc/04/96/16/1043049616.db2.gz TVKHSINPDXWUNZ-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866238297 1043164107 /nfs/dbraw/zinc/16/41/07/1043164107.db2.gz ONQYZVQDFWQHPP-HUUCEWRRSA-N 1 2 324.424 4.463 20 30 DIEDLO C[C@@](O)(CC/[NH+]=C\c1c(O)ccc2ccccc21)c1ccccc1 ZINC000777402789 1043178444 /nfs/dbraw/zinc/17/84/44/1043178444.db2.gz PFLYOOITAWTYOP-JHRFGPFWSA-N 1 2 319.404 4.262 20 30 DIEDLO C[C@@](O)(CC/[NH+]=C/c1c(O)ccc2ccccc21)c1ccccc1 ZINC000777402790 1043179194 /nfs/dbraw/zinc/17/91/94/1043179194.db2.gz PFLYOOITAWTYOP-ODAUKNCYSA-N 1 2 319.404 4.262 20 30 DIEDLO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866346077 1043183963 /nfs/dbraw/zinc/18/39/63/1043183963.db2.gz HHMHRBDXDDSEMG-GHMZBOCLSA-N 1 2 300.324 4.036 20 30 DIEDLO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866354319 1043185641 /nfs/dbraw/zinc/18/56/41/1043185641.db2.gz NEAMHWCRGGQMBN-OLZOCXBDSA-N 1 2 312.438 4.398 20 30 DIEDLO C[C@H]([NH2+]C1(c2cccc(F)c2)CCC1)c1cccc(C#N)c1O ZINC000866381022 1043193517 /nfs/dbraw/zinc/19/35/17/1043193517.db2.gz BUZLJKKJIRGGRU-ZDUSSCGKSA-N 1 2 310.372 4.133 20 30 DIEDLO N#CC1(CCn2nc(C(F)(F)F)c3c[nH+]ccc32)CCCCC1 ZINC000520549547 1043217531 /nfs/dbraw/zinc/21/75/31/1043217531.db2.gz HCGVPWALMGFAQA-UHFFFAOYSA-N 1 2 322.334 4.314 20 30 DIEDLO C[C@H](CC(C)(C)C#N)[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000926073382 1043520351 /nfs/dbraw/zinc/52/03/51/1043520351.db2.gz LHTPEQBKJNTLEY-OAGGEKHMSA-N 1 2 315.461 4.040 20 30 DIEDLO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc(C#N)c1O ZINC000926510220 1043591860 /nfs/dbraw/zinc/59/18/60/1043591860.db2.gz LTZUUKVSAVWNMH-FSPWUOQZSA-N 1 2 322.408 4.217 20 30 DIEDLO COc1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1OC(C)C ZINC000353419178 1043606419 /nfs/dbraw/zinc/60/64/19/1043606419.db2.gz ASYKVYAROVAFCB-UHFFFAOYSA-N 1 2 318.461 4.244 20 30 DIEDLO COc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1OC(C)C ZINC000353419178 1043606424 /nfs/dbraw/zinc/60/64/24/1043606424.db2.gz ASYKVYAROVAFCB-UHFFFAOYSA-N 1 2 318.461 4.244 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000876574813 1043696335 /nfs/dbraw/zinc/69/63/35/1043696335.db2.gz KYLPDOIZMVTUNI-UHFFFAOYSA-N 1 2 315.804 4.144 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000876574813 1043696345 /nfs/dbraw/zinc/69/63/45/1043696345.db2.gz KYLPDOIZMVTUNI-UHFFFAOYSA-N 1 2 315.804 4.144 20 30 DIEDLO C=CCC[C@@H]([NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1)C1CC1 ZINC000777697314 1043764207 /nfs/dbraw/zinc/76/42/07/1043764207.db2.gz XWHQHOPVCVSDKI-HNAYVOBHSA-N 1 2 300.446 4.068 20 30 DIEDLO Cc1cc(C)c2cc(N[C@@H](C)CC3(C#N)CCOCC3)ccc2[nH+]1 ZINC000895881328 1043772000 /nfs/dbraw/zinc/77/20/00/1043772000.db2.gz YVVRKIGFOFBACW-INIZCTEOSA-N 1 2 323.440 4.363 20 30 DIEDLO C=CCC(CC=C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000355993278 1043802594 /nfs/dbraw/zinc/80/25/94/1043802594.db2.gz RIXJNFQIZXRSIW-UHFFFAOYSA-N 1 2 320.396 4.217 20 30 DIEDLO CC(C)[N@H+](Cc1nc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000356068778 1043806095 /nfs/dbraw/zinc/80/60/95/1043806095.db2.gz TUZOYCZPWBZTAO-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO CC(C)[N@@H+](Cc1nc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000356068778 1043806115 /nfs/dbraw/zinc/80/61/15/1043806115.db2.gz TUZOYCZPWBZTAO-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO CC(C)[N@H+](Cc1coc(C(C)(C)C)n1)Cc1ccc(C#N)cc1 ZINC000929379527 1043814013 /nfs/dbraw/zinc/81/40/13/1043814013.db2.gz DPNARYJYUPLSPS-UHFFFAOYSA-N 1 2 311.429 4.254 20 30 DIEDLO CC(C)[N@@H+](Cc1coc(C(C)(C)C)n1)Cc1ccc(C#N)cc1 ZINC000929379527 1043814026 /nfs/dbraw/zinc/81/40/26/1043814026.db2.gz DPNARYJYUPLSPS-UHFFFAOYSA-N 1 2 311.429 4.254 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccccc1 ZINC000878363223 1043879482 /nfs/dbraw/zinc/87/94/82/1043879482.db2.gz VERURZAMJAEBQW-KRWDZBQOSA-N 1 2 308.425 4.044 20 30 DIEDLO C[C@@H](c1ccccc1)[N@H+](Cc1cc[nH]n1)Cc1cccc(C#N)c1 ZINC001137130751 1043880331 /nfs/dbraw/zinc/88/03/31/1043880331.db2.gz GUKLCXCIRDZLMA-INIZCTEOSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@@H](c1ccccc1)[N@@H+](Cc1cc[nH]n1)Cc1cccc(C#N)c1 ZINC001137130751 1043880353 /nfs/dbraw/zinc/88/03/53/1043880353.db2.gz GUKLCXCIRDZLMA-INIZCTEOSA-N 1 2 316.408 4.045 20 30 DIEDLO N#Cc1cc(F)ccc1CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000357023492 1043909654 /nfs/dbraw/zinc/90/96/54/1043909654.db2.gz CXBIDTGDHBPJLV-UHFFFAOYSA-N 1 2 323.396 4.316 20 30 DIEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000561961958 1044039949 /nfs/dbraw/zinc/03/99/49/1044039949.db2.gz QXMOJONIPPXQNQ-SFHVURJKSA-N 1 2 312.388 4.289 20 30 DIEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000561961958 1044039965 /nfs/dbraw/zinc/03/99/65/1044039965.db2.gz QXMOJONIPPXQNQ-SFHVURJKSA-N 1 2 312.388 4.289 20 30 DIEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(Cl)cc(Cl)c1F ZINC000932570073 1044144654 /nfs/dbraw/zinc/14/46/54/1044144654.db2.gz CMHGSNRNRRMEQY-ZJUUUORDSA-N 1 2 314.191 4.227 20 30 DIEDLO C=CC[C@@H](C)Sc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000882029475 1044145267 /nfs/dbraw/zinc/14/52/67/1044145267.db2.gz FIZPUVSRAWZDKX-KGLIPLIRSA-N 1 2 310.511 4.148 20 30 DIEDLO C=CC[C@@H]1CC[N@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000934470897 1044253248 /nfs/dbraw/zinc/25/32/48/1044253248.db2.gz GTHQZTGXHYQSIU-OAHLLOKOSA-N 1 2 318.417 4.012 20 30 DIEDLO C=CC[C@@H]1CC[N@@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000934470897 1044253261 /nfs/dbraw/zinc/25/32/61/1044253261.db2.gz GTHQZTGXHYQSIU-OAHLLOKOSA-N 1 2 318.417 4.012 20 30 DIEDLO C=C(C)C[C@@H](C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000567309789 1044557372 /nfs/dbraw/zinc/55/73/72/1044557372.db2.gz SJZGRSFYOXKGPT-CQSZACIVSA-N 1 2 308.385 4.051 20 30 DIEDLO N#CCCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066850983 1044642800 /nfs/dbraw/zinc/64/28/00/1044642800.db2.gz SOZHYVKZLTXGSN-OAHLLOKOSA-N 1 2 313.228 4.061 20 30 DIEDLO N#CCCCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066850983 1044642815 /nfs/dbraw/zinc/64/28/15/1044642815.db2.gz SOZHYVKZLTXGSN-OAHLLOKOSA-N 1 2 313.228 4.061 20 30 DIEDLO C[C@@H]1CN(c2ccc([NH2+]CC(C)(C)CCC#N)cc2)C[C@H](C)O1 ZINC000124816556 1044795703 /nfs/dbraw/zinc/79/57/03/1044795703.db2.gz ZYXJGJVAGGTRTC-IYBDPMFKSA-N 1 2 315.461 4.042 20 30 DIEDLO C=CC[N@@H+](Cc1nc(-c2ccccc2C)no1)Cc1ccccc1 ZINC000045840803 1044902854 /nfs/dbraw/zinc/90/28/54/1044902854.db2.gz KEOZMQOMLDHXHS-UHFFFAOYSA-N 1 2 319.408 4.233 20 30 DIEDLO C=CC[N@H+](Cc1nc(-c2ccccc2C)no1)Cc1ccccc1 ZINC000045840803 1044902865 /nfs/dbraw/zinc/90/28/65/1044902865.db2.gz KEOZMQOMLDHXHS-UHFFFAOYSA-N 1 2 319.408 4.233 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373062283 1044938524 /nfs/dbraw/zinc/93/85/24/1044938524.db2.gz BTSIISOKUYSUCU-QGZVFWFLSA-N 1 2 319.493 4.267 20 30 DIEDLO N#CC1(CC[N@H+](Cc2cc[nH]n2)Cc2ccccc2)CCCCC1 ZINC000411252202 1044990627 /nfs/dbraw/zinc/99/06/27/1044990627.db2.gz JOAVTRLRZVISNP-UHFFFAOYSA-N 1 2 322.456 4.276 20 30 DIEDLO N#CC1(CC[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)CCCCC1 ZINC000411252202 1044990645 /nfs/dbraw/zinc/99/06/45/1044990645.db2.gz JOAVTRLRZVISNP-UHFFFAOYSA-N 1 2 322.456 4.276 20 30 DIEDLO C[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1-c1ccccc1 ZINC000577805584 1045172692 /nfs/dbraw/zinc/17/26/92/1045172692.db2.gz ZJVPUGWVBOOOHY-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO C[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1-c1ccccc1 ZINC000577805584 1045172700 /nfs/dbraw/zinc/17/27/00/1045172700.db2.gz ZJVPUGWVBOOOHY-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc(SC)cc1)c1cccc(C#N)c1O ZINC000924770817 1045198244 /nfs/dbraw/zinc/19/82/44/1045198244.db2.gz UIJKQOIMOWRIRM-KRWDZBQOSA-N 1 2 312.438 4.227 20 30 DIEDLO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779095153 1045271724 /nfs/dbraw/zinc/27/17/24/1045271724.db2.gz KHNHZDVLQYMLBG-DLBZAZTESA-N 1 2 319.493 4.091 20 30 DIEDLO CCCCCCCC[C@@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779095159 1045272094 /nfs/dbraw/zinc/27/20/94/1045272094.db2.gz KHNHZDVLQYMLBG-SJORKVTESA-N 1 2 319.493 4.091 20 30 DIEDLO CC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000450456046 1045508341 /nfs/dbraw/zinc/50/83/41/1045508341.db2.gz WKQRCJRRHAKIAI-RTWAWAEBSA-N 1 2 318.420 4.161 20 30 DIEDLO CC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000450456046 1045508348 /nfs/dbraw/zinc/50/83/48/1045508348.db2.gz WKQRCJRRHAKIAI-RTWAWAEBSA-N 1 2 318.420 4.161 20 30 DIEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450575623 1045521764 /nfs/dbraw/zinc/52/17/64/1045521764.db2.gz KKZGGTSCDLPAOR-GOSISDBHSA-N 1 2 322.456 4.448 20 30 DIEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450575623 1045521778 /nfs/dbraw/zinc/52/17/78/1045521778.db2.gz KKZGGTSCDLPAOR-GOSISDBHSA-N 1 2 322.456 4.448 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3/C[C@H](C)c4ccccc4C3=O)n2c1 ZINC000751535965 1045612247 /nfs/dbraw/zinc/61/22/47/1045612247.db2.gz NTBJFGAQSMPWNT-QTNMRXCUSA-N 1 2 302.377 4.416 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000122160115 1045722368 /nfs/dbraw/zinc/72/23/68/1045722368.db2.gz VMNYFCHXNVJJFA-LBPRGKRZSA-N 1 2 319.861 4.214 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000122160115 1045722382 /nfs/dbraw/zinc/72/23/82/1045722382.db2.gz VMNYFCHXNVJJFA-LBPRGKRZSA-N 1 2 319.861 4.214 20 30 DIEDLO CC(C)n1cncc1/C=C1\CC/C(=C\c2c[nH+]cn2C(C)C)C1=O ZINC000901417893 1045728251 /nfs/dbraw/zinc/72/82/51/1045728251.db2.gz WSCWTMKQLDUYHD-BGPOSVGRSA-N 1 2 324.428 4.071 20 30 DIEDLO COc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)ccc1SC ZINC000901465991 1045742142 /nfs/dbraw/zinc/74/21/42/1045742142.db2.gz HDBSDDJYMKTPGR-SREVYHEPSA-N 1 2 316.426 4.091 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1\C(=O)c2ccsc2S[C@H]1C ZINC000901477597 1045743758 /nfs/dbraw/zinc/74/37/58/1045743758.db2.gz PINMHXWCQDYWRF-MBGMWABPSA-N 1 2 304.440 4.286 20 30 DIEDLO Cc1[nH]c(/C=C2/CCOc3c(C)cc(Cl)cc3C2=O)[nH+]c1C ZINC000901485569 1045746902 /nfs/dbraw/zinc/74/69/02/1045746902.db2.gz LCOBQNCEWCJZNS-GHXNOFRVSA-N 1 2 316.788 4.037 20 30 DIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000753586073 1045768572 /nfs/dbraw/zinc/76/85/72/1045768572.db2.gz FXLWLUDKYAKODJ-AWEZNQCLSA-N 1 2 314.376 4.424 20 30 DIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000753586073 1045768579 /nfs/dbraw/zinc/76/85/79/1045768579.db2.gz FXLWLUDKYAKODJ-AWEZNQCLSA-N 1 2 314.376 4.424 20 30 DIEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3c(C)cccn13)CC2 ZINC000753900023 1045814920 /nfs/dbraw/zinc/81/49/20/1045814920.db2.gz FQZUCRJTASJTIR-WJDWOHSUSA-N 1 2 302.377 4.164 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Br)s1 ZINC001137645791 1045915824 /nfs/dbraw/zinc/91/58/24/1045915824.db2.gz JSORAGOKWDSHQG-UHFFFAOYSA-N 1 2 301.253 4.026 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(Br)s1 ZINC001137645791 1045915812 /nfs/dbraw/zinc/91/58/12/1045915812.db2.gz JSORAGOKWDSHQG-UHFFFAOYSA-N 1 2 301.253 4.026 20 30 DIEDLO Cc1ccc2cc(C(=O)/C=C/c3c[nH+]c4ccccn34)oc2c1 ZINC000754824038 1045930475 /nfs/dbraw/zinc/93/04/75/1045930475.db2.gz HSJJDFYWNNTILD-BQYQJAHWSA-N 1 2 302.333 4.285 20 30 DIEDLO CCCCCCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000755216811 1045965114 /nfs/dbraw/zinc/96/51/14/1045965114.db2.gz XKPFTBBGXCCVHL-UHFFFAOYSA-N 1 2 313.445 4.022 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cc(F)cc(F)c1 ZINC000755707599 1046011330 /nfs/dbraw/zinc/01/13/30/1046011330.db2.gz ZYEOLNUIJKCCDX-NSCUHMNNSA-N 1 2 318.710 4.162 20 30 DIEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(Oc2ccccc2)cn1 ZINC000903035447 1046144889 /nfs/dbraw/zinc/14/48/89/1046144889.db2.gz PLSVTLFCNSCQNR-HNNXBMFYSA-N 1 2 307.397 4.218 20 30 DIEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C(F)(F)F)cn1 ZINC000903054295 1046148484 /nfs/dbraw/zinc/14/84/84/1046148484.db2.gz WIPPPCKHYCQSFX-GFCCVEGCSA-N 1 2 311.351 4.225 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635843868 1046207205 /nfs/dbraw/zinc/20/72/05/1046207205.db2.gz GADTVTDTKUJIBM-HZPDHXFCSA-N 1 2 309.413 4.004 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635843868 1046207217 /nfs/dbraw/zinc/20/72/17/1046207217.db2.gz GADTVTDTKUJIBM-HZPDHXFCSA-N 1 2 309.413 4.004 20 30 DIEDLO CC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc(C#N)cc1 ZINC000903271939 1046215142 /nfs/dbraw/zinc/21/51/42/1046215142.db2.gz MBLWVCTZTGPFCQ-ZIFCJYIRSA-N 1 2 310.372 4.071 20 30 DIEDLO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)sc1C ZINC000088602669 1046234533 /nfs/dbraw/zinc/23/45/33/1046234533.db2.gz FBIUSRYOMSMVCK-DLBZAZTESA-N 1 2 311.454 4.032 20 30 DIEDLO Cc1nc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)sc1C ZINC000088602669 1046234547 /nfs/dbraw/zinc/23/45/47/1046234547.db2.gz FBIUSRYOMSMVCK-DLBZAZTESA-N 1 2 311.454 4.032 20 30 DIEDLO O=C1c2cccc(Cl)c2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000758038871 1046242510 /nfs/dbraw/zinc/24/25/10/1046242510.db2.gz GXZMWVWDOMUWCL-BENRWUELSA-N 1 2 308.768 4.200 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001138659446 1046256289 /nfs/dbraw/zinc/25/62/89/1046256289.db2.gz CAYNTWPYRANQGP-GOSISDBHSA-N 1 2 324.399 4.140 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001138659446 1046256297 /nfs/dbraw/zinc/25/62/97/1046256297.db2.gz CAYNTWPYRANQGP-GOSISDBHSA-N 1 2 324.399 4.140 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001138659447 1046257447 /nfs/dbraw/zinc/25/74/47/1046257447.db2.gz CAYNTWPYRANQGP-SFHVURJKSA-N 1 2 324.399 4.140 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001138659447 1046257459 /nfs/dbraw/zinc/25/74/59/1046257459.db2.gz CAYNTWPYRANQGP-SFHVURJKSA-N 1 2 324.399 4.140 20 30 DIEDLO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC001138662786 1046261079 /nfs/dbraw/zinc/26/10/79/1046261079.db2.gz CCHTUMHPESQVBU-SFHVURJKSA-N 1 2 312.413 4.275 20 30 DIEDLO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC001138662786 1046261088 /nfs/dbraw/zinc/26/10/88/1046261088.db2.gz CCHTUMHPESQVBU-SFHVURJKSA-N 1 2 312.413 4.275 20 30 DIEDLO CC(C)Oc1ccc(Cl)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001138958703 1046342176 /nfs/dbraw/zinc/34/21/76/1046342176.db2.gz GMWZYTAQZNYMES-UHFFFAOYSA-N 1 2 306.837 4.253 20 30 DIEDLO CCCCCCCCCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000759468416 1046359257 /nfs/dbraw/zinc/35/92/57/1046359257.db2.gz GGVSVOOXNZOOEB-QZTJIDSGSA-N 1 2 319.493 4.433 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+](CC(=O)c1ccccc1)C(C)C ZINC001139030227 1046364655 /nfs/dbraw/zinc/36/46/55/1046364655.db2.gz HZWWYERAXHXKQD-UHFFFAOYSA-N 1 2 323.436 4.345 20 30 DIEDLO C=CCOc1ccccc1C[N@H+](CC(=O)c1ccccc1)C(C)C ZINC001139030227 1046364661 /nfs/dbraw/zinc/36/46/61/1046364661.db2.gz HZWWYERAXHXKQD-UHFFFAOYSA-N 1 2 323.436 4.345 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417291 1046448935 /nfs/dbraw/zinc/44/89/35/1046448935.db2.gz XEADZJYNWAVCDS-QGZVFWFLSA-N 1 2 300.789 4.336 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417291 1046448937 /nfs/dbraw/zinc/44/89/37/1046448937.db2.gz XEADZJYNWAVCDS-QGZVFWFLSA-N 1 2 300.789 4.336 20 30 DIEDLO O=C1c2c3ccccc3[nH]c2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000781552108 1046454723 /nfs/dbraw/zinc/45/47/23/1046454723.db2.gz PAIBSILONDEPFS-SEYXRHQNSA-N 1 2 313.360 4.028 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1 ZINC000127490031 1046485201 /nfs/dbraw/zinc/48/52/01/1046485201.db2.gz UAAUIHSKXHSFLQ-UONOGXRCSA-N 1 2 318.380 4.020 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001139650760 1046494523 /nfs/dbraw/zinc/49/45/23/1046494523.db2.gz UWUGDTMSYKNXIO-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001139650760 1046494528 /nfs/dbraw/zinc/49/45/28/1046494528.db2.gz UWUGDTMSYKNXIO-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO C[N@H+](CCC#N)Cc1cc2cc(Br)ccc2s1 ZINC001139666112 1046496363 /nfs/dbraw/zinc/49/63/63/1046496363.db2.gz JBWHAHOTMRMCIZ-UHFFFAOYSA-N 1 2 309.232 4.009 20 30 DIEDLO C[N@@H+](CCC#N)Cc1cc2cc(Br)ccc2s1 ZINC001139666112 1046496366 /nfs/dbraw/zinc/49/63/66/1046496366.db2.gz JBWHAHOTMRMCIZ-UHFFFAOYSA-N 1 2 309.232 4.009 20 30 DIEDLO CCCCCCC[S@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000782213689 1046505936 /nfs/dbraw/zinc/50/59/36/1046505936.db2.gz RUHCDFUZETXXNN-QFIPXVFZSA-N 1 2 318.486 4.151 20 30 DIEDLO O=C1c2ccccc2CC/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783696695 1046622552 /nfs/dbraw/zinc/62/25/52/1046622552.db2.gz KIPWOLNEKNAZSB-NTEUORMPSA-N 1 2 306.390 4.146 20 30 DIEDLO CC(C)[N@H+](CCC#N)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000536640136 1046624552 /nfs/dbraw/zinc/62/45/52/1046624552.db2.gz YFAUUVVVXZJOCA-UHFFFAOYSA-N 1 2 304.743 4.483 20 30 DIEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000536640136 1046624556 /nfs/dbraw/zinc/62/45/56/1046624556.db2.gz YFAUUVVVXZJOCA-UHFFFAOYSA-N 1 2 304.743 4.483 20 30 DIEDLO COc1cc(C)ccc1C(=O)/C=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783704623 1046625155 /nfs/dbraw/zinc/62/51/55/1046625155.db2.gz BGWKNCQDKVBARI-GQCTYLIASA-N 1 2 324.405 4.147 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cnc(-c2cccc(F)c2)s1 ZINC001140418207 1046706609 /nfs/dbraw/zinc/70/66/09/1046706609.db2.gz MWCOOVKMTPRCPF-UHFFFAOYSA-N 1 2 317.433 4.465 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cnc(-c2cccc(F)c2)s1 ZINC001140418207 1046706622 /nfs/dbraw/zinc/70/66/22/1046706622.db2.gz MWCOOVKMTPRCPF-UHFFFAOYSA-N 1 2 317.433 4.465 20 30 DIEDLO N#CC1CC[NH+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001140565655 1046785553 /nfs/dbraw/zinc/78/55/53/1046785553.db2.gz VLBDTVFUGYVXME-UHFFFAOYSA-N 1 2 302.727 4.094 20 30 DIEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1F ZINC001140753624 1046885265 /nfs/dbraw/zinc/88/52/65/1046885265.db2.gz JCOGVIRCBLPCTB-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1F ZINC001140753624 1046885281 /nfs/dbraw/zinc/88/52/81/1046885281.db2.gz JCOGVIRCBLPCTB-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(F)c(Br)cc1C ZINC001140795086 1046902455 /nfs/dbraw/zinc/90/24/55/1046902455.db2.gz MJXAQJBABDVOPS-UHFFFAOYSA-N 1 2 313.214 4.022 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(F)c(Br)cc1C ZINC001140795086 1046902463 /nfs/dbraw/zinc/90/24/63/1046902463.db2.gz MJXAQJBABDVOPS-UHFFFAOYSA-N 1 2 313.214 4.022 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000798073388 1046926487 /nfs/dbraw/zinc/92/64/87/1046926487.db2.gz JDEKKGDWSAOODG-UHFFFAOYSA-N 1 2 322.456 4.221 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000798073388 1046926501 /nfs/dbraw/zinc/92/65/01/1046926501.db2.gz JDEKKGDWSAOODG-UHFFFAOYSA-N 1 2 322.456 4.221 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140881154 1046941875 /nfs/dbraw/zinc/94/18/75/1046941875.db2.gz NWQBYDXGHATOLV-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140881154 1046941884 /nfs/dbraw/zinc/94/18/84/1046941884.db2.gz NWQBYDXGHATOLV-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO CC(=[NH+]Nc1cccc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799110540 1047000546 /nfs/dbraw/zinc/00/05/46/1047000546.db2.gz WAVSSZRBXOTISD-UHFFFAOYSA-N 1 2 320.352 4.166 20 30 DIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000536663415 1047051957 /nfs/dbraw/zinc/05/19/57/1047051957.db2.gz JCVGKUKZADNRTE-SNVBAGLBSA-N 1 2 316.754 4.483 20 30 DIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000536663415 1047051975 /nfs/dbraw/zinc/05/19/75/1047051975.db2.gz JCVGKUKZADNRTE-SNVBAGLBSA-N 1 2 316.754 4.483 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000536711289 1047083827 /nfs/dbraw/zinc/08/38/27/1047083827.db2.gz ZDCAFKXEYZMRJE-MRXNPFEDSA-N 1 2 320.436 4.486 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000536711289 1047083839 /nfs/dbraw/zinc/08/38/39/1047083839.db2.gz ZDCAFKXEYZMRJE-MRXNPFEDSA-N 1 2 320.436 4.486 20 30 DIEDLO C[C@H](C#N)C[N@H+](Cc1cccc(OCc2ccccc2)c1)C1CC1 ZINC000536709868 1047084039 /nfs/dbraw/zinc/08/40/39/1047084039.db2.gz PKIHXVUWNOXPFG-QGZVFWFLSA-N 1 2 320.436 4.390 20 30 DIEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(OCc2ccccc2)c1)C1CC1 ZINC000536709868 1047084052 /nfs/dbraw/zinc/08/40/52/1047084052.db2.gz PKIHXVUWNOXPFG-QGZVFWFLSA-N 1 2 320.436 4.390 20 30 DIEDLO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000536710014 1047084433 /nfs/dbraw/zinc/08/44/33/1047084433.db2.gz MFGBHOWDXBULLW-MRXNPFEDSA-N 1 2 323.421 4.488 20 30 DIEDLO N#Cc1csc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000536710014 1047084445 /nfs/dbraw/zinc/08/44/45/1047084445.db2.gz MFGBHOWDXBULLW-MRXNPFEDSA-N 1 2 323.421 4.488 20 30 DIEDLO C#CC[N@@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 ZINC001116753178 1047174238 /nfs/dbraw/zinc/17/42/38/1047174238.db2.gz NPESNPXNSPORFD-JTQLQIEISA-N 1 2 309.196 4.274 20 30 DIEDLO C#CC[N@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 ZINC001116753178 1047174249 /nfs/dbraw/zinc/17/42/49/1047174249.db2.gz NPESNPXNSPORFD-JTQLQIEISA-N 1 2 309.196 4.274 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1OC ZINC001141608612 1047222166 /nfs/dbraw/zinc/22/21/66/1047222166.db2.gz FVOGYSAVUGSUOM-UHFFFAOYSA-N 1 2 314.351 4.230 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1OC ZINC001141608612 1047222172 /nfs/dbraw/zinc/22/21/72/1047222172.db2.gz FVOGYSAVUGSUOM-UHFFFAOYSA-N 1 2 314.351 4.230 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(-c2ccccc2)o1 ZINC001117391812 1047227606 /nfs/dbraw/zinc/22/76/06/1047227606.db2.gz MOSICHYDHGEXKR-ZHACJKMWSA-N 1 2 318.376 4.304 20 30 DIEDLO C[N@H+](Cc1cnc(C(C)(C)C)s1)Cc1cc(C#N)cs1 ZINC000897626355 1047249204 /nfs/dbraw/zinc/24/92/04/1047249204.db2.gz YAXHYDONDRZSEB-UHFFFAOYSA-N 1 2 305.472 4.006 20 30 DIEDLO C[N@@H+](Cc1cnc(C(C)(C)C)s1)Cc1cc(C#N)cs1 ZINC000897626355 1047249225 /nfs/dbraw/zinc/24/92/25/1047249225.db2.gz YAXHYDONDRZSEB-UHFFFAOYSA-N 1 2 305.472 4.006 20 30 DIEDLO COc1cc(C)c(C[N@H+](CCC#N)Cc2ccccc2)c(C)c1 ZINC001142932329 1047517934 /nfs/dbraw/zinc/51/79/34/1047517934.db2.gz YUEFQUQKWYEDEI-UHFFFAOYSA-N 1 2 308.425 4.228 20 30 DIEDLO COc1cc(C)c(C[N@@H+](CCC#N)Cc2ccccc2)c(C)c1 ZINC001142932329 1047517939 /nfs/dbraw/zinc/51/79/39/1047517939.db2.gz YUEFQUQKWYEDEI-UHFFFAOYSA-N 1 2 308.425 4.228 20 30 DIEDLO Cc1cc(C#N)c(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)nc1C ZINC001155959108 1047692778 /nfs/dbraw/zinc/69/27/78/1047692778.db2.gz FKVCGKXQEKGIEQ-UHFFFAOYSA-N 1 2 308.429 4.176 20 30 DIEDLO N#C[C@H]1CC[C@H](Nc2cc(-c3ccnc(Cl)c3)cc[nH+]2)CC1 ZINC001157049713 1047734012 /nfs/dbraw/zinc/73/40/12/1047734012.db2.gz GPBQZPZXVVDMFJ-NNUKFRKNSA-N 1 2 312.804 4.291 20 30 DIEDLO C=C(CC)CSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000539101989 1047736622 /nfs/dbraw/zinc/73/66/22/1047736622.db2.gz ZOBGBRRFDZDELS-AWEZNQCLSA-N 1 2 310.511 4.149 20 30 DIEDLO CC[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1cccc(C#N)c1O ZINC000927040324 1047771172 /nfs/dbraw/zinc/77/11/72/1047771172.db2.gz UMZCUWUYIPMGSO-GOEBONIOSA-N 1 2 316.470 4.123 20 30 DIEDLO Cc1[nH+]c(N[C@](C)(C#N)c2ccccc2Cl)cc2[nH]ccc21 ZINC001158482095 1047785566 /nfs/dbraw/zinc/78/55/66/1047785566.db2.gz GOMOZIWIZHYEBX-QGZVFWFLSA-N 1 2 310.788 4.376 20 30 DIEDLO C[C@H](CNc1[nH+]ccc2ccc(C#N)cc21)c1ccc(O)cc1 ZINC001158606469 1047791072 /nfs/dbraw/zinc/79/10/72/1047791072.db2.gz ROSKGMYNAVYOOL-CYBMUJFWSA-N 1 2 303.365 4.028 20 30 DIEDLO C#CC[N@H+](Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)C(C)C ZINC001198027386 1047920142 /nfs/dbraw/zinc/92/01/42/1047920142.db2.gz ORHPNEPQZSZYEO-UHFFFAOYSA-N 1 2 304.503 4.237 20 30 DIEDLO C#CC[N@@H+](Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)C(C)C ZINC001198027386 1047920152 /nfs/dbraw/zinc/92/01/52/1047920152.db2.gz ORHPNEPQZSZYEO-UHFFFAOYSA-N 1 2 304.503 4.237 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)cc1 ZINC001203904965 1047954869 /nfs/dbraw/zinc/95/48/69/1047954869.db2.gz MALCFSFXJYMNNN-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)cc1 ZINC001203904965 1047954878 /nfs/dbraw/zinc/95/48/78/1047954878.db2.gz MALCFSFXJYMNNN-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(C)[nH+]c(SC)n1 ZINC001160178789 1047989244 /nfs/dbraw/zinc/98/92/44/1047989244.db2.gz NIRLAVQWTDGZQT-ZDUSSCGKSA-N 1 2 315.442 4.245 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001160183272 1047992686 /nfs/dbraw/zinc/99/26/86/1047992686.db2.gz ZXKDZZOUXBXOEQ-AWEZNQCLSA-N 1 2 309.413 4.400 20 30 DIEDLO C=CC[N@@H+]1CCC[C@H]1CNc1c(Cl)ncc(Cl)c1Cl ZINC001160953427 1048100350 /nfs/dbraw/zinc/10/03/50/1048100350.db2.gz AQEYTUSKZVRTEQ-VIFPVBQESA-N 1 2 320.651 4.104 20 30 DIEDLO CCCCCCC[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000775972866 1048068195 /nfs/dbraw/zinc/06/81/95/1048068195.db2.gz YUAGSJYVRFHMSC-WBVHZDCISA-N 1 2 300.450 4.233 20 30 DIEDLO C=CCCCCC[NH2+][C@@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC001175015711 1048071453 /nfs/dbraw/zinc/07/14/53/1048071453.db2.gz LKGHMZDXIMKLMP-SFHVURJKSA-N 1 2 323.864 4.150 20 30 DIEDLO C=CC[N@H+]1CCC[C@H]1CNc1c(Cl)ncc(Cl)c1Cl ZINC001160953427 1048100346 /nfs/dbraw/zinc/10/03/46/1048100346.db2.gz AQEYTUSKZVRTEQ-VIFPVBQESA-N 1 2 320.651 4.104 20 30 DIEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)c(OC(F)(F)F)c1 ZINC001213031628 1048118784 /nfs/dbraw/zinc/11/87/84/1048118784.db2.gz JYOBRAHEZHGRKE-UHFFFAOYSA-N 1 2 318.258 4.077 20 30 DIEDLO N#Cc1c(Nc2cccc3[nH+]c[nH]c32)cccc1C(F)(F)F ZINC001213032653 1048129489 /nfs/dbraw/zinc/12/94/89/1048129489.db2.gz QUJWPOANZQRPHQ-UHFFFAOYSA-N 1 2 302.259 4.197 20 30 DIEDLO C[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1Br ZINC000480648455 1048206351 /nfs/dbraw/zinc/20/63/51/1048206351.db2.gz DRQQEPSGTZMNCM-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1Br ZINC000480648455 1048206364 /nfs/dbraw/zinc/20/63/64/1048206364.db2.gz DRQQEPSGTZMNCM-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO CN(C)c1ccc(Nc2cc(Cl)c(Cl)cc2C#N)c[nH+]1 ZINC001175344677 1048249980 /nfs/dbraw/zinc/24/99/80/1048249980.db2.gz WBGHSZDMQYDLGR-UHFFFAOYSA-N 1 2 307.184 4.070 20 30 DIEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175348619 1048252811 /nfs/dbraw/zinc/25/28/11/1048252811.db2.gz HJZWKVZGPYUXOR-UHFFFAOYSA-N 1 2 316.767 4.090 20 30 DIEDLO CCCC[N@H+](C)c1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC001162450116 1048280457 /nfs/dbraw/zinc/28/04/57/1048280457.db2.gz FIVYZPCMCIUGHR-UHFFFAOYSA-N 1 2 324.384 4.446 20 30 DIEDLO CCCC[N@@H+](C)c1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC001162450116 1048280469 /nfs/dbraw/zinc/28/04/69/1048280469.db2.gz FIVYZPCMCIUGHR-UHFFFAOYSA-N 1 2 324.384 4.446 20 30 DIEDLO CCCCCCC[N@H+]1CCc2nc(Br)sc2C1 ZINC001201788041 1048381345 /nfs/dbraw/zinc/38/13/45/1048381345.db2.gz UGNUUYOEGHCBCW-UHFFFAOYSA-N 1 2 317.296 4.234 20 30 DIEDLO Cc1csc(NC2=CC[N@H+](Cc3ccccc3)CC2)c1C#N ZINC001175504813 1048337914 /nfs/dbraw/zinc/33/79/14/1048337914.db2.gz FDJYOVAZURHZJO-UHFFFAOYSA-N 1 2 309.438 4.130 20 30 DIEDLO Cc1csc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1C#N ZINC001175504813 1048337928 /nfs/dbraw/zinc/33/79/28/1048337928.db2.gz FDJYOVAZURHZJO-UHFFFAOYSA-N 1 2 309.438 4.130 20 30 DIEDLO CC(C)Oc1cc(Cl)c(C[NH2+]CC2(C#N)CC2)cc1Cl ZINC000600152520 1048375904 /nfs/dbraw/zinc/37/59/04/1048375904.db2.gz BZCHZHPXAZLXCC-UHFFFAOYSA-N 1 2 313.228 4.174 20 30 DIEDLO CCCCCCC[N@@H+]1CCc2nc(Br)sc2C1 ZINC001201788041 1048381335 /nfs/dbraw/zinc/38/13/35/1048381335.db2.gz UGNUUYOEGHCBCW-UHFFFAOYSA-N 1 2 317.296 4.234 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N[C@H]3CCc4c3c(F)ccc4F)c2c1 ZINC001162931442 1048390441 /nfs/dbraw/zinc/39/04/41/1048390441.db2.gz GPEORDXHKXQPOX-KRWDZBQOSA-N 1 2 321.330 4.484 20 30 DIEDLO CC(C)(C#N)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175717857 1048423395 /nfs/dbraw/zinc/42/33/95/1048423395.db2.gz UFFAVGGBUQELBU-UHFFFAOYSA-N 1 2 320.318 4.227 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1nc(C)sc1C)c1ccc(F)c(F)c1 ZINC000481591022 1048436699 /nfs/dbraw/zinc/43/66/99/1048436699.db2.gz IKSRHEWLNUMOGH-MRXNPFEDSA-N 1 2 308.397 4.445 20 30 DIEDLO C#CCCC1(CCNc2[nH+]cccc2OCc2ccccc2)N=N1 ZINC001163381066 1048463125 /nfs/dbraw/zinc/46/31/25/1048463125.db2.gz PGDBQLFPBUSQCB-UHFFFAOYSA-N 1 2 320.396 4.038 20 30 DIEDLO N#Cc1ccc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC001163847707 1048536540 /nfs/dbraw/zinc/53/65/40/1048536540.db2.gz BLXJDTLZQJMWLL-UHFFFAOYSA-N 1 2 324.384 4.072 20 30 DIEDLO N#Cc1ccc2c(c1)CCN(c1cc(-c3ccccc3)cc[nH+]1)C2 ZINC001164478026 1048632281 /nfs/dbraw/zinc/63/22/81/1048632281.db2.gz ZIFAAKIHIYXXSB-UHFFFAOYSA-N 1 2 311.388 4.183 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)c1ccc(F)cc1F ZINC001190708492 1048774314 /nfs/dbraw/zinc/77/43/14/1048774314.db2.gz TXGXKMFUVHEBPD-ZDUSSCGKSA-N 1 2 303.327 4.300 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1ccc(F)cc1F ZINC001190708492 1048774325 /nfs/dbraw/zinc/77/43/25/1048774325.db2.gz TXGXKMFUVHEBPD-ZDUSSCGKSA-N 1 2 303.327 4.300 20 30 DIEDLO C(#Cc1ccccc1)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000483534413 1048818386 /nfs/dbraw/zinc/81/83/86/1048818386.db2.gz RDBVMESEPIIKIU-UHFFFAOYSA-N 1 2 307.418 4.395 20 30 DIEDLO C(#Cc1ccccc1)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000483534413 1048818407 /nfs/dbraw/zinc/81/84/07/1048818407.db2.gz RDBVMESEPIIKIU-UHFFFAOYSA-N 1 2 307.418 4.395 20 30 DIEDLO C#C[C@H]1CCCN(c2cc(SCc3ccccc3)cc[nH+]2)C1 ZINC001167008476 1048831142 /nfs/dbraw/zinc/83/11/42/1048831142.db2.gz YNRCSJNKDCDUPU-INIZCTEOSA-N 1 2 308.450 4.224 20 30 DIEDLO CCCCCCCNC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001191104691 1048851564 /nfs/dbraw/zinc/85/15/64/1048851564.db2.gz NPWSFEJQKXMQKM-UHFFFAOYSA-N 1 2 314.433 4.023 20 30 DIEDLO C(#Cc1ccccc1)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000484090909 1048899712 /nfs/dbraw/zinc/89/97/12/1048899712.db2.gz COXYFSNZHLOLMD-LJQANCHMSA-N 1 2 316.404 4.407 20 30 DIEDLO C(#Cc1ccccc1)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000484090909 1048899729 /nfs/dbraw/zinc/89/97/29/1048899729.db2.gz COXYFSNZHLOLMD-LJQANCHMSA-N 1 2 316.404 4.407 20 30 DIEDLO C#CCCCOc1ccc[nH+]c1NC1CCC(OC(C)C)CC1 ZINC000853455702 1048906414 /nfs/dbraw/zinc/90/64/14/1048906414.db2.gz HFAPCHGUUVPECM-UHFFFAOYSA-N 1 2 316.445 4.022 20 30 DIEDLO Cc1ccc2[nH+]c(NCc3ccc(C(C)(C)C#N)cc3)[nH]c2c1 ZINC001203479274 1048912111 /nfs/dbraw/zinc/91/21/11/1048912111.db2.gz PULJZAWFKQRHMG-UHFFFAOYSA-N 1 2 304.397 4.285 20 30 DIEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1C(F)(F)F ZINC000484348730 1048928787 /nfs/dbraw/zinc/92/87/87/1048928787.db2.gz GEATUPYEVHJWRU-AWEZNQCLSA-N 1 2 314.326 4.108 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1C(F)(F)F ZINC000484348730 1048928799 /nfs/dbraw/zinc/92/87/99/1048928799.db2.gz GEATUPYEVHJWRU-AWEZNQCLSA-N 1 2 314.326 4.108 20 30 DIEDLO CCCCCCCCCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178117430 1048986150 /nfs/dbraw/zinc/98/61/50/1048986150.db2.gz WUJMEOXROBTSNP-QGZVFWFLSA-N 1 2 319.493 4.045 20 30 DIEDLO COc1ccc(Oc2cccc(C[N@@H+]3CC[C@@](C)(C#N)C3)c2)cc1 ZINC001203820532 1049009610 /nfs/dbraw/zinc/00/96/10/1049009610.db2.gz SKDHQMNVPYBEMN-FQEVSTJZSA-N 1 2 322.408 4.223 20 30 DIEDLO COc1ccc(Oc2cccc(C[N@H+]3CC[C@@](C)(C#N)C3)c2)cc1 ZINC001203820532 1049009624 /nfs/dbraw/zinc/00/96/24/1049009624.db2.gz SKDHQMNVPYBEMN-FQEVSTJZSA-N 1 2 322.408 4.223 20 30 DIEDLO N#Cc1ccccc1C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC001204366387 1049152084 /nfs/dbraw/zinc/15/20/84/1049152084.db2.gz FSAGARGNAVYIBK-UHFFFAOYSA-N 1 2 313.404 4.156 20 30 DIEDLO N#Cc1ccccc1C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC001204366387 1049152087 /nfs/dbraw/zinc/15/20/87/1049152087.db2.gz FSAGARGNAVYIBK-UHFFFAOYSA-N 1 2 313.404 4.156 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ncc(-c2ccccc2)o1 ZINC001193105352 1049180032 /nfs/dbraw/zinc/18/00/32/1049180032.db2.gz XUSKCTKFAKKXFC-LBPRGKRZSA-N 1 2 309.394 4.126 20 30 DIEDLO C#CCCCCCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001193131828 1049183650 /nfs/dbraw/zinc/18/36/50/1049183650.db2.gz WSBDCGMVFXXLJH-SFHVURJKSA-N 1 2 305.849 4.297 20 30 DIEDLO C#CCCCCCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001193131828 1049183655 /nfs/dbraw/zinc/18/36/55/1049183655.db2.gz WSBDCGMVFXXLJH-SFHVURJKSA-N 1 2 305.849 4.297 20 30 DIEDLO CCCCCCCC[C@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981437 1049212865 /nfs/dbraw/zinc/21/28/65/1049212865.db2.gz DTCGZMBFORZZKY-HOTGVXAUSA-N 1 2 305.466 4.221 20 30 DIEDLO CCCCCCCC[C@@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981438 1049213797 /nfs/dbraw/zinc/21/37/97/1049213797.db2.gz DTCGZMBFORZZKY-HZPDHXFCSA-N 1 2 305.466 4.221 20 30 DIEDLO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981439 1049214051 /nfs/dbraw/zinc/21/40/51/1049214051.db2.gz DTCGZMBFORZZKY-JKSUJKDBSA-N 1 2 305.466 4.221 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)cs1 ZINC001179961609 1049253393 /nfs/dbraw/zinc/25/33/93/1049253393.db2.gz GOIXKMYMZBHLGI-UHFFFAOYSA-N 1 2 320.417 4.438 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)cs1 ZINC001179961609 1049253400 /nfs/dbraw/zinc/25/34/00/1049253400.db2.gz GOIXKMYMZBHLGI-UHFFFAOYSA-N 1 2 320.417 4.438 20 30 DIEDLO COc1cc(C)ccc1Oc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC001204827572 1049277455 /nfs/dbraw/zinc/27/74/55/1049277455.db2.gz VCPSXRZEVIRKOT-INIZCTEOSA-N 1 2 324.424 4.387 20 30 DIEDLO COc1cc(C)ccc1Oc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC001204827572 1049277471 /nfs/dbraw/zinc/27/74/71/1049277471.db2.gz VCPSXRZEVIRKOT-INIZCTEOSA-N 1 2 324.424 4.387 20 30 DIEDLO C#CC[NH+](CC#C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001180121049 1049292668 /nfs/dbraw/zinc/29/26/68/1049292668.db2.gz OFOXKJSZJRIMEE-UHFFFAOYSA-N 1 2 317.310 4.034 20 30 DIEDLO N#Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)cs1 ZINC001180208289 1049308073 /nfs/dbraw/zinc/30/80/73/1049308073.db2.gz JBIBCCIJNYAKIM-UHFFFAOYSA-N 1 2 324.405 4.121 20 30 DIEDLO N#Cc1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cs1 ZINC001180208289 1049308085 /nfs/dbraw/zinc/30/80/85/1049308085.db2.gz JBIBCCIJNYAKIM-UHFFFAOYSA-N 1 2 324.405 4.121 20 30 DIEDLO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC001194818243 1049433983 /nfs/dbraw/zinc/43/39/83/1049433983.db2.gz USFMIBYKJQLROS-HNNXBMFYSA-N 1 2 323.396 4.438 20 30 DIEDLO CC(C)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC001194818243 1049433985 /nfs/dbraw/zinc/43/39/85/1049433985.db2.gz USFMIBYKJQLROS-HNNXBMFYSA-N 1 2 323.396 4.438 20 30 DIEDLO CCCCCCC[C@H](C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001181132448 1049444250 /nfs/dbraw/zinc/44/42/50/1049444250.db2.gz CWUMQRBNBXQNHI-HNNXBMFYSA-N 1 2 305.466 4.221 20 30 DIEDLO CSc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(C)c1 ZINC001206096200 1049652259 /nfs/dbraw/zinc/65/22/59/1049652259.db2.gz RLQUATBUZVCWER-UDWIEESQSA-N 1 2 309.438 4.477 20 30 DIEDLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000794719034 1049685624 /nfs/dbraw/zinc/68/56/24/1049685624.db2.gz FHVPXAWKYACZMJ-GFCCVEGCSA-N 1 2 313.788 4.014 20 30 DIEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@@H]2c2noc(C)n2)CC1 ZINC001208177167 1049981128 /nfs/dbraw/zinc/98/11/28/1049981128.db2.gz OVFKMPIWJWDMJS-IAGOWNOFSA-N 1 2 301.434 4.208 20 30 DIEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@H]2c2noc(C)n2)CC1 ZINC001208177167 1049981134 /nfs/dbraw/zinc/98/11/34/1049981134.db2.gz OVFKMPIWJWDMJS-IAGOWNOFSA-N 1 2 301.434 4.208 20 30 DIEDLO N#CCC[N@H+](CCCCCc1ccccc1)Cc1cccnc1 ZINC001209228005 1050045335 /nfs/dbraw/zinc/04/53/35/1050045335.db2.gz QZGZQPHYLWTFLD-UHFFFAOYSA-N 1 2 307.441 4.210 20 30 DIEDLO N#CCC[N@@H+](CCCCCc1ccccc1)Cc1cccnc1 ZINC001209228005 1050045341 /nfs/dbraw/zinc/04/53/41/1050045341.db2.gz QZGZQPHYLWTFLD-UHFFFAOYSA-N 1 2 307.441 4.210 20 30 DIEDLO N#Cc1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cn1 ZINC001209518539 1050066450 /nfs/dbraw/zinc/06/64/50/1050066450.db2.gz ZJALMBJXPGOOLE-UHFFFAOYSA-N 1 2 314.270 4.264 20 30 DIEDLO N#CCCC[C@@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccccc1 ZINC000590069697 1050076441 /nfs/dbraw/zinc/07/64/41/1050076441.db2.gz HQFLYRZDKRHHHZ-QGZVFWFLSA-N 1 2 304.397 4.088 20 30 DIEDLO N#Cc1cnn(-c2ccccc2)c1Nc1ccc2c[nH+]ccc2c1 ZINC001210046428 1050128315 /nfs/dbraw/zinc/12/83/15/1050128315.db2.gz XPKRGRDCJGNZCV-UHFFFAOYSA-N 1 2 311.348 4.036 20 30 DIEDLO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770391806 1050155132 /nfs/dbraw/zinc/15/51/32/1050155132.db2.gz QCQVZKLGVLRNKE-GUOCTKQSSA-N 1 2 318.420 4.035 20 30 DIEDLO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770391806 1050155135 /nfs/dbraw/zinc/15/51/35/1050155135.db2.gz QCQVZKLGVLRNKE-GUOCTKQSSA-N 1 2 318.420 4.035 20 30 DIEDLO C[C@@H](c1ccccc1)[N@H+](Cc1c[nH]cn1)Cc1ccc(C#N)cc1 ZINC001136873547 1050210025 /nfs/dbraw/zinc/21/00/25/1050210025.db2.gz SEDDXQDPUDLJKE-INIZCTEOSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@@H](c1ccccc1)[N@@H+](Cc1c[nH]cn1)Cc1ccc(C#N)cc1 ZINC001136873547 1050210032 /nfs/dbraw/zinc/21/00/32/1050210032.db2.gz SEDDXQDPUDLJKE-INIZCTEOSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@@H](c1ccccc1)[N@H+](Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC001136873547 1050210041 /nfs/dbraw/zinc/21/00/41/1050210041.db2.gz SEDDXQDPUDLJKE-INIZCTEOSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@@H](c1ccccc1)[N@@H+](Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC001136873547 1050210047 /nfs/dbraw/zinc/21/00/47/1050210047.db2.gz SEDDXQDPUDLJKE-INIZCTEOSA-N 1 2 316.408 4.045 20 30 DIEDLO N#Cc1cnc(Nc2ccc([NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000734141090 1050232244 /nfs/dbraw/zinc/23/22/44/1050232244.db2.gz DZMLSPNNUHVTBR-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO C[N@H+](CCC#N)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136943520 1050244266 /nfs/dbraw/zinc/24/42/66/1050244266.db2.gz JOGLSWBTZAKVEY-UHFFFAOYSA-N 1 2 301.393 4.247 20 30 DIEDLO C[N@@H+](CCC#N)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136943520 1050244280 /nfs/dbraw/zinc/24/42/80/1050244280.db2.gz JOGLSWBTZAKVEY-UHFFFAOYSA-N 1 2 301.393 4.247 20 30 DIEDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592066314 1050268068 /nfs/dbraw/zinc/26/80/68/1050268068.db2.gz ZRCRQNGHGPEOOS-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592066314 1050268083 /nfs/dbraw/zinc/26/80/83/1050268083.db2.gz ZRCRQNGHGPEOOS-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccncc1C#N ZINC000592066209 1050268984 /nfs/dbraw/zinc/26/89/84/1050268984.db2.gz OCANMURVSXUZER-LBPRGKRZSA-N 1 2 319.330 4.165 20 30 DIEDLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592066209 1050268997 /nfs/dbraw/zinc/26/89/97/1050268997.db2.gz OCANMURVSXUZER-LBPRGKRZSA-N 1 2 319.330 4.165 20 30 DIEDLO Cc1ccc(C#N)cc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001210498870 1050270263 /nfs/dbraw/zinc/27/02/63/1050270263.db2.gz SFWOKYRZSJZWJF-UHFFFAOYSA-N 1 2 324.384 4.352 20 30 DIEDLO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592065715 1050270291 /nfs/dbraw/zinc/27/02/91/1050270291.db2.gz XUBRZEXSHGRFKD-GFCCVEGCSA-N 1 2 319.330 4.165 20 30 DIEDLO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592065715 1050270305 /nfs/dbraw/zinc/27/03/05/1050270305.db2.gz XUBRZEXSHGRFKD-GFCCVEGCSA-N 1 2 319.330 4.165 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(F)c(Cl)c3)n2c1 ZINC000771862521 1050285016 /nfs/dbraw/zinc/28/50/16/1050285016.db2.gz XHIXNANRAWMLJL-GQCTYLIASA-N 1 2 314.747 4.331 20 30 DIEDLO CCOc1ccc(/C=[NH+]/CCC2CC(OC(C)(C)C)C2)c(O)c1 ZINC000760989783 1050327249 /nfs/dbraw/zinc/32/72/49/1050327249.db2.gz GMAMQGAXBIFDNM-DEDYPNTBSA-N 1 2 319.445 4.194 20 30 DIEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001143719469 1050340561 /nfs/dbraw/zinc/34/05/61/1050340561.db2.gz YNQWDMVTUJBWME-UHFFFAOYSA-N 1 2 310.775 4.223 20 30 DIEDLO C[N@H+](CC/C=C/c1cccnc1)Cc1c(Cl)cccc1C#N ZINC001143731212 1050349157 /nfs/dbraw/zinc/34/91/57/1050349157.db2.gz OMYKAOOHZINWHH-QHHAFSJGSA-N 1 2 311.816 4.142 20 30 DIEDLO C[N@@H+](CC/C=C/c1cccnc1)Cc1c(Cl)cccc1C#N ZINC001143731212 1050349170 /nfs/dbraw/zinc/34/91/70/1050349170.db2.gz OMYKAOOHZINWHH-QHHAFSJGSA-N 1 2 311.816 4.142 20 30 DIEDLO COc1cc(Nc2cc(C#N)ccc2C(F)(F)F)cc(C)[nH+]1 ZINC001210781227 1050369326 /nfs/dbraw/zinc/36/93/26/1050369326.db2.gz ZSGZHVMVIXZWSE-UHFFFAOYSA-N 1 2 307.275 4.033 20 30 DIEDLO C[NH+](C)c1ccc(NCc2cccc(OCCCC#N)c2)cc1 ZINC000157700723 1050370536 /nfs/dbraw/zinc/37/05/36/1050370536.db2.gz VWSQHDASSGCGTG-UHFFFAOYSA-N 1 2 309.413 4.047 20 30 DIEDLO COc1cc(Nc2cc(C#N)cc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC001210781191 1050370696 /nfs/dbraw/zinc/37/06/96/1050370696.db2.gz ZCUJECRLGMDRHQ-UHFFFAOYSA-N 1 2 307.275 4.033 20 30 DIEDLO CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001143833101 1050376048 /nfs/dbraw/zinc/37/60/48/1050376048.db2.gz UEXZEIDJMSXXJK-GFCCVEGCSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1c(Cl)ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001143833101 1050376057 /nfs/dbraw/zinc/37/60/57/1050376057.db2.gz UEXZEIDJMSXXJK-GFCCVEGCSA-N 1 2 310.800 4.003 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143991272 1050432353 /nfs/dbraw/zinc/43/23/53/1050432353.db2.gz NZQLIIQPGFSRHK-UHFFFAOYSA-N 1 2 304.743 4.484 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143991272 1050432356 /nfs/dbraw/zinc/43/23/56/1050432356.db2.gz NZQLIIQPGFSRHK-UHFFFAOYSA-N 1 2 304.743 4.484 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)ccc1F ZINC001171132078 1050448934 /nfs/dbraw/zinc/44/89/34/1050448934.db2.gz CQOHYLNVQUCJMK-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)ccc1F ZINC001171132078 1050448946 /nfs/dbraw/zinc/44/89/46/1050448946.db2.gz CQOHYLNVQUCJMK-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc([N+](=O)[O-])c1 ZINC001211328611 1050546295 /nfs/dbraw/zinc/54/62/95/1050546295.db2.gz HVPXBJGOYVPURO-UHFFFAOYSA-N 1 2 324.727 4.412 20 30 DIEDLO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C(C)C)C(F)(F)F)c(O)c1 ZINC000787141287 1050554571 /nfs/dbraw/zinc/55/45/71/1050554571.db2.gz LRMYPGPIHMEJRN-VYXQJKENSA-N 1 2 316.367 4.244 20 30 DIEDLO [NH2+]=C(Nc1cc(Cl)ccc1F)c1ccc2cc(O)ccc2c1 ZINC001171184650 1050583944 /nfs/dbraw/zinc/58/39/44/1050583944.db2.gz OTARGEFLVXNWQP-UHFFFAOYSA-N 1 2 314.747 4.375 20 30 DIEDLO N#CC1(C[NH2+]Cc2sccc2Br)CCCCC1 ZINC000594980951 1050588852 /nfs/dbraw/zinc/58/88/52/1050588852.db2.gz DMCFDEBPUVDTCZ-UHFFFAOYSA-N 1 2 313.264 4.074 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595341700 1050621055 /nfs/dbraw/zinc/62/10/55/1050621055.db2.gz KCHXXHPVDQCDRL-UYAOXDASSA-N 1 2 319.452 4.381 20 30 DIEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595341700 1050621062 /nfs/dbraw/zinc/62/10/62/1050621062.db2.gz KCHXXHPVDQCDRL-UYAOXDASSA-N 1 2 319.452 4.381 20 30 DIEDLO N#CC1(c2cccc(Nc3cc(OC(F)(F)F)cc[nH+]3)c2)CC1 ZINC001213320883 1050629052 /nfs/dbraw/zinc/62/90/52/1050629052.db2.gz QPMGVLMZXFHHCC-UHFFFAOYSA-N 1 2 319.286 4.279 20 30 DIEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCC(C)(C)C#N ZINC000595519260 1050637493 /nfs/dbraw/zinc/63/74/93/1050637493.db2.gz WGLSYEDMKVTNKY-NSHDSACASA-N 1 2 304.825 4.149 20 30 DIEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCC(C)(C)C#N ZINC000595519260 1050637496 /nfs/dbraw/zinc/63/74/96/1050637496.db2.gz WGLSYEDMKVTNKY-NSHDSACASA-N 1 2 304.825 4.149 20 30 DIEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCC(C)(C)C#N ZINC000595519259 1050637678 /nfs/dbraw/zinc/63/76/78/1050637678.db2.gz WGLSYEDMKVTNKY-LLVKDONJSA-N 1 2 304.825 4.149 20 30 DIEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCC(C)(C)C#N ZINC000595519259 1050637684 /nfs/dbraw/zinc/63/76/84/1050637684.db2.gz WGLSYEDMKVTNKY-LLVKDONJSA-N 1 2 304.825 4.149 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000595623589 1050652257 /nfs/dbraw/zinc/65/22/57/1050652257.db2.gz UMPHUCMJIPPOSI-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000595623589 1050652267 /nfs/dbraw/zinc/65/22/67/1050652267.db2.gz UMPHUCMJIPPOSI-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000595618618 1050652412 /nfs/dbraw/zinc/65/24/12/1050652412.db2.gz YVZLHKHCXVSKIF-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000595618618 1050652420 /nfs/dbraw/zinc/65/24/20/1050652420.db2.gz YVZLHKHCXVSKIF-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO COc1ccc([C@H]([NH2+]CC2(C#N)CCC2)c2ccccc2)cc1 ZINC000595637393 1050656131 /nfs/dbraw/zinc/65/61/31/1050656131.db2.gz UXKAHSSVWFVMRN-LJQANCHMSA-N 1 2 306.409 4.068 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000595841452 1050671244 /nfs/dbraw/zinc/67/12/44/1050671244.db2.gz WVWQQGCWPVHICN-FQEVSTJZSA-N 1 2 306.409 4.001 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000595841452 1050671247 /nfs/dbraw/zinc/67/12/47/1050671247.db2.gz WVWQQGCWPVHICN-FQEVSTJZSA-N 1 2 306.409 4.001 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(C#N)cc3Cl)n21 ZINC000788361328 1050674624 /nfs/dbraw/zinc/67/46/24/1050674624.db2.gz ZXVUWHYSCCIIRY-SOFGYWHQSA-N 1 2 321.767 4.064 20 30 DIEDLO Cc1cc(C)c(Nc2cc(Br)cc(C#N)c2)c[nH+]1 ZINC001213515860 1050676768 /nfs/dbraw/zinc/67/67/68/1050676768.db2.gz PTGGSQKPZVXBAV-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1[nH+]c2cc(OCc3ccccc3C(C)(C)C#N)ccc2n1C ZINC000596285028 1050696426 /nfs/dbraw/zinc/69/64/26/1050696426.db2.gz GQDIQRUIFJSAKR-UHFFFAOYSA-N 1 2 319.408 4.262 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc(F)c(F)c1 ZINC000737445085 1050734863 /nfs/dbraw/zinc/73/48/63/1050734863.db2.gz XYNRNMNSKBJXCO-HYXAFXHYSA-N 1 2 318.710 4.162 20 30 DIEDLO N#CC1CC[NH+](Cc2cc3cc(Cl)ccc3nc2Cl)CC1 ZINC000846791743 1050754666 /nfs/dbraw/zinc/75/46/66/1050754666.db2.gz RXKKCDSGVPNZOR-UHFFFAOYSA-N 1 2 320.223 4.277 20 30 DIEDLO N#Cc1ccc(CNc2cc3c4c(c2)CCC[NH+]4CCC3)cc1F ZINC001170095706 1050780119 /nfs/dbraw/zinc/78/01/19/1050780119.db2.gz MVIGWCGLAUGRIJ-UHFFFAOYSA-N 1 2 321.399 4.008 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000597231511 1050825992 /nfs/dbraw/zinc/82/59/92/1050825992.db2.gz YWNOJVQDIUPSFA-SFHVURJKSA-N 1 2 316.351 4.177 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000597231511 1050826002 /nfs/dbraw/zinc/82/60/02/1050826002.db2.gz YWNOJVQDIUPSFA-SFHVURJKSA-N 1 2 316.351 4.177 20 30 DIEDLO Cc1cccn2c(/C=C3\Cc4cc(Cl)ccc4C3=O)c[nH+]c12 ZINC000742437892 1050855717 /nfs/dbraw/zinc/85/57/17/1050855717.db2.gz SEJFBIQIAFPQPF-UKTHLTGXSA-N 1 2 308.768 4.119 20 30 DIEDLO C=CC[C@@H](C)[C@H](C)[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000790500256 1050964091 /nfs/dbraw/zinc/96/40/91/1050964091.db2.gz ORVDXKJNMZPXFC-NCOADZHNSA-N 1 2 302.462 4.313 20 30 DIEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CCCC(F)(F)C2)CC1 ZINC001170379129 1051198988 /nfs/dbraw/zinc/19/89/88/1051198988.db2.gz RBYARMLGMSMINH-UHFFFAOYSA-N 1 2 304.384 4.122 20 30 DIEDLO N#CC1(c2ccccc2)CCC([N@H+]2CCCC(F)(F)C2)CC1 ZINC001170379129 1051198999 /nfs/dbraw/zinc/19/89/99/1051198999.db2.gz RBYARMLGMSMINH-UHFFFAOYSA-N 1 2 304.384 4.122 20 30 DIEDLO C#CCC1(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCCCC1 ZINC000794205633 1051362372 /nfs/dbraw/zinc/36/23/72/1051362372.db2.gz JWNWEEUXUTYCMB-UHFFFAOYSA-N 1 2 321.424 4.297 20 30 DIEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000746457827 1051423156 /nfs/dbraw/zinc/42/31/56/1051423156.db2.gz SHKQDLRVCRNXRY-QGZVFWFLSA-N 1 2 312.800 4.189 20 30 DIEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000746457827 1051423163 /nfs/dbraw/zinc/42/31/63/1051423163.db2.gz SHKQDLRVCRNXRY-QGZVFWFLSA-N 1 2 312.800 4.189 20 30 DIEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC[C@H](C#N)C1 ZINC001172577051 1051462515 /nfs/dbraw/zinc/46/25/15/1051462515.db2.gz HCZOOPCKHOHKBJ-VXGBXAGGSA-N 1 2 312.791 4.175 20 30 DIEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC[C@H](C#N)C1 ZINC001172577051 1051462522 /nfs/dbraw/zinc/46/25/22/1051462522.db2.gz HCZOOPCKHOHKBJ-VXGBXAGGSA-N 1 2 312.791 4.175 20 30 DIEDLO Cc1cccc2c1[C@@H](C)/C(=C/c1c[nH+]c3cccc(C)n13)C2=O ZINC000766694330 1051610996 /nfs/dbraw/zinc/61/09/96/1051610996.db2.gz DANUPQHHFCMRHG-XGHPXPSOSA-N 1 2 302.377 4.335 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3\C(=O)c4cccc(C)c4[C@@H]3C)n2c1 ZINC000766697013 1051612285 /nfs/dbraw/zinc/61/22/85/1051612285.db2.gz ZNCMWXJHABNFER-KDVQLTRESA-N 1 2 302.377 4.335 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3/C(=O)c4cccc(C)c4[C@@H]3C)n2c1 ZINC000766697011 1051612749 /nfs/dbraw/zinc/61/27/49/1051612749.db2.gz ZNCMWXJHABNFER-IREQLNLFSA-N 1 2 302.377 4.335 20 30 DIEDLO Cc1cccn2c(/C=C3/C(=O)c4cccc(C)c4[C@@H]3C)c[nH+]c12 ZINC000766696613 1051612872 /nfs/dbraw/zinc/61/28/72/1051612872.db2.gz VWDHJBCXSKOTCC-NGWPFTMJSA-N 1 2 302.377 4.335 20 30 DIEDLO CCCCCCCC[C@@H](C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804336446 1051684681 /nfs/dbraw/zinc/68/46/81/1051684681.db2.gz MXUGHIHXZRORRT-SJORKVTESA-N 1 2 319.493 4.091 20 30 DIEDLO O=C1C=C2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)CC[C@H]2S1 ZINC001173346803 1051706412 /nfs/dbraw/zinc/70/64/12/1051706412.db2.gz RNYKUJDPHBSNKW-JKSUJKDBSA-N 1 2 305.487 4.154 20 30 DIEDLO O=C1C=C2C[N@@H+]([C@H]3CCCC4(CCCCC4)C3)CC[C@H]2S1 ZINC001173346803 1051706422 /nfs/dbraw/zinc/70/64/22/1051706422.db2.gz RNYKUJDPHBSNKW-JKSUJKDBSA-N 1 2 305.487 4.154 20 30 DIEDLO C[C@]1(C/[NH+]=C/c2c(O)ccc3ccccc32)CCO[C@H]1C1CC1 ZINC000767339576 1051786904 /nfs/dbraw/zinc/78/69/04/1051786904.db2.gz VDVDVPMXWNXQIA-JJOCEZFHSA-N 1 2 309.409 4.170 20 30 DIEDLO C[C@]1(C/[NH+]=C\c2c(O)ccc3ccccc32)CCO[C@@H]1C1CC1 ZINC000767339578 1051788064 /nfs/dbraw/zinc/78/80/64/1051788064.db2.gz VDVDVPMXWNXQIA-KSQXCSSUSA-N 1 2 309.409 4.170 20 30 DIEDLO C#Cc1cc(Nc2ccc(-c3nc4ccccc4o3)cc2)cc[nH+]1 ZINC001216686109 1051863381 /nfs/dbraw/zinc/86/33/81/1051863381.db2.gz OIERYDBYQUDUQT-UHFFFAOYSA-N 1 2 311.344 4.037 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(CSC(F)F)o1 ZINC000768153364 1051889411 /nfs/dbraw/zinc/88/94/11/1051889411.db2.gz FCHVJNZUGFZBOB-UHFFFAOYSA-N 1 2 302.390 4.107 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(CSC(F)F)o1 ZINC000768153364 1051889417 /nfs/dbraw/zinc/88/94/17/1051889417.db2.gz FCHVJNZUGFZBOB-UHFFFAOYSA-N 1 2 302.390 4.107 20 30 DIEDLO C#CC[N@@H+](Cc1cnc(C(C)C)s1)Cc1ccc(F)cc1 ZINC000769145604 1052002234 /nfs/dbraw/zinc/00/22/34/1052002234.db2.gz IZEDDNTZCGPNKT-UHFFFAOYSA-N 1 2 302.418 4.041 20 30 DIEDLO C#CC[N@H+](Cc1cnc(C(C)C)s1)Cc1ccc(F)cc1 ZINC000769145604 1052002242 /nfs/dbraw/zinc/00/22/42/1052002242.db2.gz IZEDDNTZCGPNKT-UHFFFAOYSA-N 1 2 302.418 4.041 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1c[nH]c2cc(Cl)ccc12 ZINC000769607342 1052087557 /nfs/dbraw/zinc/08/75/57/1052087557.db2.gz JARRRYBUXQDGCT-FNORWQNLSA-N 1 2 321.767 4.365 20 30 DIEDLO CSc1ccc2c(c1)CC/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000769609214 1052087892 /nfs/dbraw/zinc/08/78/92/1052087892.db2.gz ICKPOIMCUOECFE-SDNWHVSQSA-N 1 2 320.417 4.269 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(Cl)c(F)c1 ZINC000769614753 1052088434 /nfs/dbraw/zinc/08/84/34/1052088434.db2.gz MOBAQZMHBZCTDS-ALCCZGGFSA-N 1 2 300.720 4.023 20 30 DIEDLO CCSc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000769615968 1052088533 /nfs/dbraw/zinc/08/85/33/1052088533.db2.gz UQMTXUPEQLCZBH-DHZHZOJOSA-N 1 2 308.406 4.342 20 30 DIEDLO CC(C)c1cccc2c1OC/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000769613798 1052088941 /nfs/dbraw/zinc/08/89/41/1052088941.db2.gz DYJMBTZGAXAHKP-SDNWHVSQSA-N 1 2 318.376 4.116 20 30 DIEDLO Cc1ccc(C)c2c1CC/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000769746072 1052106863 /nfs/dbraw/zinc/10/68/63/1052106863.db2.gz BRSOGJLYNVDVCO-QINSGFPZSA-N 1 2 302.377 4.164 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3ncc(C#N)cc3Cl)ccc21 ZINC001174381093 1052139125 /nfs/dbraw/zinc/13/91/25/1052139125.db2.gz UJROTNGMGYHOGN-UHFFFAOYSA-N 1 2 311.776 4.281 20 30 DIEDLO CNc1ccc(C#N)cc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174384474 1052145165 /nfs/dbraw/zinc/14/51/65/1052145165.db2.gz XLVYKUXXBLABHU-UHFFFAOYSA-N 1 2 305.385 4.274 20 30 DIEDLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(Br)cc1C#N ZINC000311147087 1052278462 /nfs/dbraw/zinc/27/84/62/1052278462.db2.gz MIHRADOPIVIAGV-VXGBXAGGSA-N 1 2 307.235 4.084 20 30 DIEDLO Cc1c(Cl)cccc1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000915051111 1052328795 /nfs/dbraw/zinc/32/87/95/1052328795.db2.gz LGBUKVUOVORYCJ-UHFFFAOYSA-N 1 2 310.788 4.280 20 30 DIEDLO Cc1cccn2c(/C=C3\Cc4ccc(Cl)cc4C3=O)c[nH+]c12 ZINC000762446846 1052383511 /nfs/dbraw/zinc/38/35/11/1052383511.db2.gz LUMSHPFXOAFOOL-MDWZMJQESA-N 1 2 308.768 4.119 20 30 DIEDLO CC(C)c1[nH+]c(/C=C\C(=O)c2ccccc2O)c2ccccn21 ZINC000762601083 1052406032 /nfs/dbraw/zinc/40/60/32/1052406032.db2.gz ZAMREBAVTYRHNW-KHPPLWFESA-N 1 2 306.365 4.059 20 30 DIEDLO O=C1c2cccc3c2[C@H](CCC3)/C1=C\c1c[nH+]c2ccccn12 ZINC000763290379 1052557466 /nfs/dbraw/zinc/55/74/66/1052557466.db2.gz QNTFAQZGSAUBES-QAEAHILHSA-N 1 2 300.361 4.034 20 30 DIEDLO COc1ccc(O)c(/C=[NH+]\CCc2csc3ccccc23)c1 ZINC000915980982 1052573240 /nfs/dbraw/zinc/57/32/40/1052573240.db2.gz IZXQRSIVHAUPRL-ODLFYWEKSA-N 1 2 311.406 4.277 20 30 DIEDLO N#Cc1ccc(N[NH+]=Cc2c(Cl)cccc2N2CCCC2)cc1 ZINC000763354522 1052589654 /nfs/dbraw/zinc/58/96/54/1052589654.db2.gz QDHWRGFFORADCQ-UHFFFAOYSA-N 1 2 324.815 4.258 20 30 DIEDLO C#CC[N@H+](Cc1ccn(C2CCCC2)n1)[C@H]1CCc2ccccc21 ZINC000763397444 1052623269 /nfs/dbraw/zinc/62/32/69/1052623269.db2.gz LURSLRNQVYXJMM-NRFANRHFSA-N 1 2 319.452 4.121 20 30 DIEDLO C#CC[N@@H+](Cc1ccn(C2CCCC2)n1)[C@H]1CCc2ccccc21 ZINC000763397444 1052623271 /nfs/dbraw/zinc/62/32/71/1052623271.db2.gz LURSLRNQVYXJMM-NRFANRHFSA-N 1 2 319.452 4.121 20 30 DIEDLO Cc1cc(C)c(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000917028679 1052681474 /nfs/dbraw/zinc/68/14/74/1052681474.db2.gz ZLGUHPGFTMNVBM-UHFFFAOYSA-N 1 2 304.397 4.244 20 30 DIEDLO C=C(C)CCCO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224280898 1052685417 /nfs/dbraw/zinc/68/54/17/1052685417.db2.gz GCFDFCPHYJSBCB-CYBMUJFWSA-N 1 2 314.882 4.134 20 30 DIEDLO C=C(C)CCCO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224280898 1052685420 /nfs/dbraw/zinc/68/54/20/1052685420.db2.gz GCFDFCPHYJSBCB-CYBMUJFWSA-N 1 2 314.882 4.134 20 30 DIEDLO C=CC[N@H+](Cn1c2ccccc2n(C(F)F)c1=S)C(C)C ZINC000917481514 1052729427 /nfs/dbraw/zinc/72/94/27/1052729427.db2.gz MNUUMNSLHVMKIH-UHFFFAOYSA-N 1 2 311.401 4.421 20 30 DIEDLO C=CC[N@@H+](Cn1c2ccccc2n(C(F)F)c1=S)C(C)C ZINC000917481514 1052729431 /nfs/dbraw/zinc/72/94/31/1052729431.db2.gz MNUUMNSLHVMKIH-UHFFFAOYSA-N 1 2 311.401 4.421 20 30 DIEDLO COc1ccc(O)c(/C=[NH+]/CCCSc2ccccc2)c1 ZINC000920944997 1052956476 /nfs/dbraw/zinc/95/64/76/1052956476.db2.gz ZGITVEPVBIRHDG-QGOAFFKASA-N 1 2 301.411 4.002 20 30 DIEDLO N#CC1(c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC001212256234 1052973254 /nfs/dbraw/zinc/97/32/54/1052973254.db2.gz OUNWCJLRAWBPQI-UHFFFAOYSA-N 1 2 314.392 4.230 20 30 DIEDLO CCC[N@@H+](CC#N)CCCCOc1ccccc1C(F)(F)F ZINC000609806736 1052993484 /nfs/dbraw/zinc/99/34/84/1052993484.db2.gz IRIQAUGLBHUKCD-UHFFFAOYSA-N 1 2 314.351 4.100 20 30 DIEDLO CCC[N@H+](CC#N)CCCCOc1ccccc1C(F)(F)F ZINC000609806736 1052993486 /nfs/dbraw/zinc/99/34/86/1052993486.db2.gz IRIQAUGLBHUKCD-UHFFFAOYSA-N 1 2 314.351 4.100 20 30 DIEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000616731129 1053070459 /nfs/dbraw/zinc/07/04/59/1053070459.db2.gz MNJTXKACTWTDLJ-GOSISDBHSA-N 1 2 316.351 4.350 20 30 DIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000616731129 1053070467 /nfs/dbraw/zinc/07/04/67/1053070467.db2.gz MNJTXKACTWTDLJ-GOSISDBHSA-N 1 2 316.351 4.350 20 30 DIEDLO COc1ccc([NH2+]CC2(CC#N)CC2)c(OCc2ccccc2)c1 ZINC000849315664 1053085184 /nfs/dbraw/zinc/08/51/84/1053085184.db2.gz COOFYANLTJHINO-UHFFFAOYSA-N 1 2 322.408 4.380 20 30 DIEDLO C=CCn1cnn(C[N@@H+](C)C2CCC(C(C)(C)C)CC2)c1=S ZINC001318039048 1053146419 /nfs/dbraw/zinc/14/64/19/1053146419.db2.gz FVNZEFSVCSHDFD-UHFFFAOYSA-N 1 2 322.522 4.094 20 30 DIEDLO C=CCn1cnn(C[N@H+](C)C2CCC(C(C)(C)C)CC2)c1=S ZINC001318039048 1053146423 /nfs/dbraw/zinc/14/64/23/1053146423.db2.gz FVNZEFSVCSHDFD-UHFFFAOYSA-N 1 2 322.522 4.094 20 30 DIEDLO COc1cccc2c(N[C@@H]3CCc4cc(C#N)ccc43)cc[nH+]c12 ZINC000618693827 1053351537 /nfs/dbraw/zinc/35/15/37/1053351537.db2.gz QDSOZQNGSSCITD-QGZVFWFLSA-N 1 2 315.376 4.214 20 30 DIEDLO CCC[C@@H](C)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229766524 1053401003 /nfs/dbraw/zinc/40/10/03/1053401003.db2.gz PZIFIVKUZJFWJH-CYBMUJFWSA-N 1 2 320.396 4.144 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(Cl)cc1Cl ZINC001323544271 1053588105 /nfs/dbraw/zinc/58/81/05/1053588105.db2.gz GCHWDFZIZXJDMX-VMPITWQZSA-N 1 2 321.207 4.351 20 30 DIEDLO CCCCCCCCCNC(=S)NCc1c[nH+]cn1C(C)C ZINC001200380151 1053611958 /nfs/dbraw/zinc/61/19/58/1053611958.db2.gz KBHGHHKIPTXSOJ-UHFFFAOYSA-N 1 2 324.538 4.179 20 30 DIEDLO Cc1cc2ccccc2nc1N[NH+]=Cc1ccc(N)cc1Cl ZINC001324143495 1053628931 /nfs/dbraw/zinc/62/89/31/1053628931.db2.gz SAWJJSMAEAGUEU-UHFFFAOYSA-N 1 2 310.788 4.225 20 30 DIEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(C)c2ccccc2[nH+]1 ZINC001328645626 1053945558 /nfs/dbraw/zinc/94/55/58/1053945558.db2.gz YYNIUEJNRCQULR-UHFFFAOYSA-N 1 2 322.408 4.211 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc2ccc3cccnc3c2n1 ZINC001232222783 1053995084 /nfs/dbraw/zinc/99/50/84/1053995084.db2.gz ZCBOFFQKODXCOB-UHFFFAOYSA-N 1 2 318.424 4.299 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc2ccc3cccnc3c2n1 ZINC001232222783 1053995097 /nfs/dbraw/zinc/99/50/97/1053995097.db2.gz ZCBOFFQKODXCOB-UHFFFAOYSA-N 1 2 318.424 4.299 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)nc1 ZINC001232356848 1054030214 /nfs/dbraw/zinc/03/02/14/1054030214.db2.gz GXQYIMRXXFEMQE-UHFFFAOYSA-N 1 2 323.440 4.176 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)nc1 ZINC001232356848 1054030228 /nfs/dbraw/zinc/03/02/28/1054030228.db2.gz GXQYIMRXXFEMQE-UHFFFAOYSA-N 1 2 323.440 4.176 20 30 DIEDLO C=CCO[C@@H]1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC001330589813 1054042957 /nfs/dbraw/zinc/04/29/57/1054042957.db2.gz IGXQQUHZOLOKQK-CQSZACIVSA-N 1 2 322.330 4.035 20 30 DIEDLO C=CCCCC[N@@H+](C)Cc1cc(F)c(O)c(Br)c1 ZINC001232635792 1054092880 /nfs/dbraw/zinc/09/28/80/1054092880.db2.gz SWXJOQZSCNWYOT-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO C=CCCCC[N@H+](C)Cc1cc(F)c(O)c(Br)c1 ZINC001232635792 1054092886 /nfs/dbraw/zinc/09/28/86/1054092886.db2.gz SWXJOQZSCNWYOT-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC001232678478 1054098246 /nfs/dbraw/zinc/09/82/46/1054098246.db2.gz HCBYLPVKFSADKF-SFHVURJKSA-N 1 2 306.409 4.034 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC001232678478 1054098258 /nfs/dbraw/zinc/09/82/58/1054098258.db2.gz HCBYLPVKFSADKF-SFHVURJKSA-N 1 2 306.409 4.034 20 30 DIEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232677540 1054098520 /nfs/dbraw/zinc/09/85/20/1054098520.db2.gz FEIRIWDLFRUDFU-LBPRGKRZSA-N 1 2 300.789 4.110 20 30 DIEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232677540 1054098534 /nfs/dbraw/zinc/09/85/34/1054098534.db2.gz FEIRIWDLFRUDFU-LBPRGKRZSA-N 1 2 300.789 4.110 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC001232673753 1054099243 /nfs/dbraw/zinc/09/92/43/1054099243.db2.gz MPGQFTYYNPVQMF-UHFFFAOYSA-N 1 2 324.811 4.207 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC001232673753 1054099257 /nfs/dbraw/zinc/09/92/57/1054099257.db2.gz MPGQFTYYNPVQMF-UHFFFAOYSA-N 1 2 324.811 4.207 20 30 DIEDLO CCc1nc([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cs1 ZINC000184700542 1054127156 /nfs/dbraw/zinc/12/71/56/1054127156.db2.gz PWABUMWJARFBCR-GFCCVEGCSA-N 1 2 304.846 4.061 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232888579 1054141865 /nfs/dbraw/zinc/14/18/65/1054141865.db2.gz OZSQEXXDGPMUCA-UHFFFAOYSA-N 1 2 311.404 4.403 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232888579 1054141868 /nfs/dbraw/zinc/14/18/68/1054141868.db2.gz OZSQEXXDGPMUCA-UHFFFAOYSA-N 1 2 311.404 4.403 20 30 DIEDLO C=CC[N@@H+](Cc1ccnc(Cl)c1Br)C(C)(C)C ZINC001233182508 1054198900 /nfs/dbraw/zinc/19/89/00/1054198900.db2.gz LDKKKKFOCIWIJE-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO N#CCC[N@@H+](Cc1cc(Cl)ncc1O)C1CCCCCCC1 ZINC001233036397 1054173862 /nfs/dbraw/zinc/17/38/62/1054173862.db2.gz PLNVFZJKYBGMEX-UHFFFAOYSA-N 1 2 321.852 4.269 20 30 DIEDLO C=CC[N@H+](Cc1ccnc(Cl)c1Br)C(C)(C)C ZINC001233182508 1054198892 /nfs/dbraw/zinc/19/88/92/1054198892.db2.gz LDKKKKFOCIWIJE-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001233212008 1054205200 /nfs/dbraw/zinc/20/52/00/1054205200.db2.gz XAYUAEGTFZTOSQ-INIZCTEOSA-N 1 2 310.372 4.354 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001233212008 1054205212 /nfs/dbraw/zinc/20/52/12/1054205212.db2.gz XAYUAEGTFZTOSQ-INIZCTEOSA-N 1 2 310.372 4.354 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1N1CCCCC1)C2 ZINC000848926357 1054301180 /nfs/dbraw/zinc/30/11/80/1054301180.db2.gz VMJZYCVANPOMQA-UHFFFAOYSA-N 1 2 317.436 4.064 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccccc1N1CCCCC1)C2 ZINC000848926357 1054301195 /nfs/dbraw/zinc/30/11/95/1054301195.db2.gz VMJZYCVANPOMQA-UHFFFAOYSA-N 1 2 317.436 4.064 20 30 DIEDLO C=CCCCC[N@@H+](C)Cc1cc(F)cc(Br)c1O ZINC001235305569 1054697026 /nfs/dbraw/zinc/69/70/26/1054697026.db2.gz NXUNPCWNUTZCEE-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO C=CCCCC[N@H+](C)Cc1cc(F)cc(Br)c1O ZINC001235305569 1054697032 /nfs/dbraw/zinc/69/70/32/1054697032.db2.gz NXUNPCWNUTZCEE-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c(F)c1 ZINC001235658236 1054759390 /nfs/dbraw/zinc/75/93/90/1054759390.db2.gz IWGAWISOJMDJMC-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c(F)c1 ZINC001235658236 1054759408 /nfs/dbraw/zinc/75/94/08/1054759408.db2.gz IWGAWISOJMDJMC-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)c1 ZINC001236193809 1054993188 /nfs/dbraw/zinc/99/31/88/1054993188.db2.gz ULWDSFWHITYITN-LJQANCHMSA-N 1 2 317.392 4.082 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)c1 ZINC001236193809 1054993196 /nfs/dbraw/zinc/99/31/96/1054993196.db2.gz ULWDSFWHITYITN-LJQANCHMSA-N 1 2 317.392 4.082 20 30 DIEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)c(Cl)cc1Cl ZINC000194076861 1055115079 /nfs/dbraw/zinc/11/50/79/1055115079.db2.gz WZZTYFMMZKNCCQ-ZJUUUORDSA-N 1 2 314.191 4.227 20 30 DIEDLO CC(C)Nc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001236488427 1055144304 /nfs/dbraw/zinc/14/43/04/1055144304.db2.gz GQWBMWHUMIORPB-FYJGNVAPSA-N 1 2 306.413 4.267 20 30 DIEDLO Cc1c(F)ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1Cl ZINC001236706938 1055238157 /nfs/dbraw/zinc/23/81/57/1055238157.db2.gz ABCRDVVYNVUOOU-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO Cc1c(F)ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1Cl ZINC001236706938 1055238165 /nfs/dbraw/zinc/23/81/65/1055238165.db2.gz ABCRDVVYNVUOOU-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO C=CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1Br ZINC001236736604 1055243197 /nfs/dbraw/zinc/24/31/97/1055243197.db2.gz VVYBBSOEEOVGGV-UHFFFAOYSA-N 1 2 308.141 4.086 20 30 DIEDLO C=CC[N@H+](C)Cc1cccc(C(F)(F)F)c1Br ZINC001236736604 1055243208 /nfs/dbraw/zinc/24/32/08/1055243208.db2.gz VVYBBSOEEOVGGV-UHFFFAOYSA-N 1 2 308.141 4.086 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(OC)c(Cl)c1O)C1CCCCC1 ZINC001236809675 1055273168 /nfs/dbraw/zinc/27/31/68/1055273168.db2.gz NQEJULDJSHMZNI-UHFFFAOYSA-N 1 2 309.837 4.375 20 30 DIEDLO C=CC[N@H+](Cc1ccc(OC)c(Cl)c1O)C1CCCCC1 ZINC001236809675 1055273177 /nfs/dbraw/zinc/27/31/77/1055273177.db2.gz NQEJULDJSHMZNI-UHFFFAOYSA-N 1 2 309.837 4.375 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(Cl)nc(Cl)c1O ZINC001237538759 1055469975 /nfs/dbraw/zinc/46/99/75/1055469975.db2.gz MXCCOIKQOIKJNL-UHFFFAOYSA-N 1 2 323.223 4.282 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)nc(Cl)c1O ZINC001237538759 1055469980 /nfs/dbraw/zinc/46/99/80/1055469980.db2.gz MXCCOIKQOIKJNL-UHFFFAOYSA-N 1 2 323.223 4.282 20 30 DIEDLO CCCCCCCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001537910456 1055474477 /nfs/dbraw/zinc/47/44/77/1055474477.db2.gz XNTWXLFBYCJVRR-MRXNPFEDSA-N 1 2 322.518 4.314 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H](C)CCC1CCCCC1)C(=O)OCC ZINC001621478824 1055478609 /nfs/dbraw/zinc/47/86/09/1055478609.db2.gz KRZIKZKNFOLVIY-HOCLYGCPSA-N 1 2 315.885 4.399 20 30 DIEDLO C[N@H+](Cc1cc(Cl)cc(C#N)c1)Cc1ccc(F)cc1F ZINC001237753610 1055521166 /nfs/dbraw/zinc/52/11/66/1055521166.db2.gz MLRSCNSBYKDVQZ-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)Cc1ccc(F)cc1F ZINC001237753610 1055521180 /nfs/dbraw/zinc/52/11/80/1055521180.db2.gz MLRSCNSBYKDVQZ-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC[N@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1Cl ZINC001238086927 1055602860 /nfs/dbraw/zinc/60/28/60/1055602860.db2.gz QQMITMGUSHEYHT-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC[N@@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1Cl ZINC001238086927 1055602868 /nfs/dbraw/zinc/60/28/68/1055602868.db2.gz QQMITMGUSHEYHT-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC(C)c1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1Cl ZINC001238224867 1055625435 /nfs/dbraw/zinc/62/54/35/1055625435.db2.gz WNTNHYYDNAJMAF-MRXNPFEDSA-N 1 2 321.873 4.238 20 30 DIEDLO CC(C)c1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1Cl ZINC001238224867 1055625443 /nfs/dbraw/zinc/62/54/43/1055625443.db2.gz WNTNHYYDNAJMAF-MRXNPFEDSA-N 1 2 321.873 4.238 20 30 DIEDLO Cc1cc(F)cc(Cl)c1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001238779452 1055750169 /nfs/dbraw/zinc/75/01/69/1055750169.db2.gz ALYMERUTJHOYJD-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO Cc1cc(F)cc(Cl)c1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001238779452 1055750179 /nfs/dbraw/zinc/75/01/79/1055750179.db2.gz ALYMERUTJHOYJD-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccccc2C(F)(F)F)cc1C#N ZINC001239544490 1055944338 /nfs/dbraw/zinc/94/43/38/1055944338.db2.gz BBIFCSLMCWWJFN-SSDVNMTOSA-N 1 2 317.314 4.465 20 30 DIEDLO COc1ccc(CNc2[nH+]c3ccccc3n2C(C)C)cc1C#N ZINC001621051515 1056010930 /nfs/dbraw/zinc/01/09/30/1056010930.db2.gz HPLMDUZGDLZSQT-UHFFFAOYSA-N 1 2 320.396 4.110 20 30 DIEDLO Cc1cc(F)c(C#N)c(Nc2ccc(NC3CCCC3)[nH+]c2)c1 ZINC001611912296 1056208680 /nfs/dbraw/zinc/20/86/80/1056208680.db2.gz LWHMALGAHBGDQK-UHFFFAOYSA-N 1 2 310.376 4.499 20 30 DIEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000317238953 1056998791 /nfs/dbraw/zinc/99/87/91/1056998791.db2.gz MAWPGMUQJKHCHM-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000317238953 1056998793 /nfs/dbraw/zinc/99/87/93/1056998793.db2.gz MAWPGMUQJKHCHM-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)s1 ZINC000154089004 1057025095 /nfs/dbraw/zinc/02/50/95/1057025095.db2.gz BHMZUHGKLRXMGH-SFHVURJKSA-N 1 2 323.396 4.033 20 30 DIEDLO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922521135 1057030337 /nfs/dbraw/zinc/03/03/37/1057030337.db2.gz GWBJTQVECIVMGX-IEBWSBKVSA-N 1 2 324.399 4.049 20 30 DIEDLO COc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1Cl ZINC001241735948 1057151067 /nfs/dbraw/zinc/15/10/67/1057151067.db2.gz ICAAUXZCVBHASZ-RGVLZGJSSA-N 1 2 313.788 4.109 20 30 DIEDLO N#CCC[N@@H+](Cc1c(O)cccc1F)C1CCCCCCC1 ZINC001137837313 1057443751 /nfs/dbraw/zinc/44/37/51/1057443751.db2.gz AVIUWNCZPWMCHL-UHFFFAOYSA-N 1 2 304.409 4.360 20 30 DIEDLO N#CCC[N@H+](Cc1c(O)cccc1F)C1CCCCCCC1 ZINC001137837313 1057443756 /nfs/dbraw/zinc/44/37/56/1057443756.db2.gz AVIUWNCZPWMCHL-UHFFFAOYSA-N 1 2 304.409 4.360 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000611268613 1057587476 /nfs/dbraw/zinc/58/74/76/1057587476.db2.gz SBTOSTVUZVFPKE-OAHLLOKOSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000611268613 1057587481 /nfs/dbraw/zinc/58/74/81/1057587481.db2.gz SBTOSTVUZVFPKE-OAHLLOKOSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1cccc(C#N)c1 ZINC000611389387 1057594810 /nfs/dbraw/zinc/59/48/10/1057594810.db2.gz VGYAQSPTRDTAHA-AWEZNQCLSA-N 1 2 303.365 4.064 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccccc1 ZINC000611454103 1057601097 /nfs/dbraw/zinc/60/10/97/1057601097.db2.gz AELXKDPKAXYQLU-HNNXBMFYSA-N 1 2 311.454 4.157 20 30 DIEDLO C[C@H]([NH2+][C@@H](CCc1ccccc1)C(F)F)c1cccc(C#N)c1 ZINC000611524510 1057605260 /nfs/dbraw/zinc/60/52/60/1057605260.db2.gz MVKVFYDLHUXZRP-KSSFIOAISA-N 1 2 314.379 4.475 20 30 DIEDLO Clc1nc(Nc2ccccc2)sc1C=[NH+]NC1CCCC1 ZINC000727652748 1057663231 /nfs/dbraw/zinc/66/32/31/1057663231.db2.gz XUXXUUTXYLIQOJ-UHFFFAOYSA-N 1 2 320.849 4.406 20 30 DIEDLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000730063023 1057702488 /nfs/dbraw/zinc/70/24/88/1057702488.db2.gz YMTGZOXMMYAPII-LJQANCHMSA-N 1 2 324.399 4.433 20 30 DIEDLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000730063023 1057702491 /nfs/dbraw/zinc/70/24/91/1057702491.db2.gz YMTGZOXMMYAPII-LJQANCHMSA-N 1 2 324.399 4.433 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(F)c(Cl)c1 ZINC000730148023 1057704529 /nfs/dbraw/zinc/70/45/29/1057704529.db2.gz XXBWSTLDDMZUGR-UHFFFAOYSA-N 1 2 313.763 4.285 20 30 DIEDLO N#Cc1ccc2nccc(-c3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC001243658681 1057746112 /nfs/dbraw/zinc/74/61/12/1057746112.db2.gz INWVHIGPIWKXPX-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO N#Cc1ccc2c(c1)nccc2-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243657983 1057746431 /nfs/dbraw/zinc/74/64/31/1057746431.db2.gz DIFUHJCWXNAZED-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO N#Cc1cnc2cc(-c3ccc(Cn4cc[nH+]c4)cc3)ccc2c1 ZINC001243663011 1057748601 /nfs/dbraw/zinc/74/86/01/1057748601.db2.gz SIAIDEBDIXXKRS-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO CCc1cccc2c(CC/[NH+]=C/c3cccc(OC)c3O)c[nH]c21 ZINC000731938611 1057761503 /nfs/dbraw/zinc/76/15/03/1057761503.db2.gz VUDRRNHQJVGCAX-CIAFOILYSA-N 1 2 322.408 4.106 20 30 DIEDLO C#C[C@@H](Nc1cc(CC)[nH+]c(CC)n1)c1ccc(Cl)cc1F ZINC001559187621 1059073165 /nfs/dbraw/zinc/07/31/65/1059073165.db2.gz BKCSZNBPEYLXAA-OAHLLOKOSA-N 1 2 317.795 4.180 20 30 DIEDLO CCCCCCCCNC(=S)Nc1ccc2[nH+]c(C)cn2c1 ZINC001247141812 1059311982 /nfs/dbraw/zinc/31/19/82/1059311982.db2.gz ZDRQXQJSUBLVAM-UHFFFAOYSA-N 1 2 318.490 4.290 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1c(C)cccc1Cl ZINC001559513868 1059312182 /nfs/dbraw/zinc/31/21/82/1059312182.db2.gz JGWHMPQFIUXVGQ-UHFFFAOYSA-N 1 2 301.792 4.423 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1c(C)cccc1Cl ZINC001559513868 1059312202 /nfs/dbraw/zinc/31/22/02/1059312202.db2.gz JGWHMPQFIUXVGQ-UHFFFAOYSA-N 1 2 301.792 4.423 20 30 DIEDLO C=C1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC001559526459 1059323913 /nfs/dbraw/zinc/32/39/13/1059323913.db2.gz XNPCPJOABMFRGF-UHFFFAOYSA-N 1 2 306.203 4.347 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(OC(C)(C)C)n1 ZINC001559578366 1059412153 /nfs/dbraw/zinc/41/21/53/1059412153.db2.gz KWZFUCFMHYPELD-UHFFFAOYSA-N 1 2 317.477 4.411 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(OC(C)(C)C)n1 ZINC001559578366 1059412160 /nfs/dbraw/zinc/41/21/60/1059412160.db2.gz KWZFUCFMHYPELD-UHFFFAOYSA-N 1 2 317.477 4.411 20 30 DIEDLO C=C[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC001532001091 1059483049 /nfs/dbraw/zinc/48/30/49/1059483049.db2.gz BETLJZMCMWYRID-IBGZPJMESA-N 1 2 318.376 4.016 20 30 DIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001559722762 1059552092 /nfs/dbraw/zinc/55/20/92/1059552092.db2.gz BVEYDRUPFUKEDZ-SFHVURJKSA-N 1 2 321.380 4.194 20 30 DIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001559722762 1059552108 /nfs/dbraw/zinc/55/21/08/1059552108.db2.gz BVEYDRUPFUKEDZ-SFHVURJKSA-N 1 2 321.380 4.194 20 30 DIEDLO CC#CC[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001559864773 1059686258 /nfs/dbraw/zinc/68/62/58/1059686258.db2.gz SGKZYVPNKKSDTD-UHFFFAOYSA-N 1 2 318.342 4.126 20 30 DIEDLO CC#CC[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001559864773 1059686266 /nfs/dbraw/zinc/68/62/66/1059686266.db2.gz SGKZYVPNKKSDTD-UHFFFAOYSA-N 1 2 318.342 4.126 20 30 DIEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001248752175 1059963604 /nfs/dbraw/zinc/96/36/04/1059963604.db2.gz AQUVGHMKOJNZDK-UHFFFAOYSA-N 1 2 316.404 4.425 20 30 DIEDLO CCc1cc(C#N)ccc1C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001248752175 1059963616 /nfs/dbraw/zinc/96/36/16/1059963616.db2.gz AQUVGHMKOJNZDK-UHFFFAOYSA-N 1 2 316.404 4.425 20 30 DIEDLO C=CCC[N@@H+](Cc1nc2ccc(OC)cc2[nH]1)Cc1ccccc1 ZINC001249414223 1060241751 /nfs/dbraw/zinc/24/17/51/1060241751.db2.gz XCZGPTUPANVNLV-UHFFFAOYSA-N 1 2 321.424 4.150 20 30 DIEDLO C=CCC[N@H+](Cc1nc2ccc(OC)cc2[nH]1)Cc1ccccc1 ZINC001249414223 1060241771 /nfs/dbraw/zinc/24/17/71/1060241771.db2.gz XCZGPTUPANVNLV-UHFFFAOYSA-N 1 2 321.424 4.150 20 30 DIEDLO CN(Cc1ccccc1)c1ccc(Cc2cccc(C#N)c2)c[nH+]1 ZINC001250048604 1060566175 /nfs/dbraw/zinc/56/61/75/1060566175.db2.gz FBIYTDDZDUENFA-UHFFFAOYSA-N 1 2 313.404 4.180 20 30 DIEDLO C#CCCCCCC[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001560801016 1060660702 /nfs/dbraw/zinc/66/07/02/1060660702.db2.gz CODFEIWNVMAHII-HDICACEKSA-N 1 2 314.473 4.296 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(F)c(OC(C)C)c(Cl)c1 ZINC001250293120 1060760081 /nfs/dbraw/zinc/76/00/81/1060760081.db2.gz UPJRNVUZWPUEMF-UHFFFAOYSA-N 1 2 312.816 4.392 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(F)c(OC(C)C)c(Cl)c1 ZINC001250293120 1060760091 /nfs/dbraw/zinc/76/00/91/1060760091.db2.gz UPJRNVUZWPUEMF-UHFFFAOYSA-N 1 2 312.816 4.392 20 30 DIEDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@H+]2C[C@H](C)CCC#N ZINC001560895655 1060760238 /nfs/dbraw/zinc/76/02/38/1060760238.db2.gz VZKCIEBMYUSQGB-NVXWUHKLSA-N 1 2 300.446 4.270 20 30 DIEDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@@H+]2C[C@H](C)CCC#N ZINC001560895655 1060760244 /nfs/dbraw/zinc/76/02/44/1060760244.db2.gz VZKCIEBMYUSQGB-NVXWUHKLSA-N 1 2 300.446 4.270 20 30 DIEDLO CCOc1ccc2[nH+]c(CCc3cccc(C#N)c3)n(CC)c2c1 ZINC001250581582 1060914844 /nfs/dbraw/zinc/91/48/44/1060914844.db2.gz GVEZKKTUGFZQQF-UHFFFAOYSA-N 1 2 319.408 4.112 20 30 DIEDLO Cc1ccc2c(c1)[nH+]c(CCc1cccc(C#N)c1)n2CC1CC1 ZINC001250581510 1060915991 /nfs/dbraw/zinc/91/59/91/1060915991.db2.gz CCUOTRRUXBBGSC-UHFFFAOYSA-N 1 2 315.420 4.412 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)OCC ZINC001462506837 1061216483 /nfs/dbraw/zinc/21/64/83/1061216483.db2.gz QZYMHTFPDDFNQW-FPCVCCKLSA-N 1 2 313.869 4.009 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(=O)OCC ZINC001462506844 1061218028 /nfs/dbraw/zinc/21/80/28/1061218028.db2.gz QZYMHTFPDDFNQW-JONQDZQNSA-N 1 2 313.869 4.009 20 30 DIEDLO C=CC[C@@H]1CCC[N@@H+]([C@H](C(=O)OCC)c2cccc(Cl)c2)C1 ZINC001473626962 1061298747 /nfs/dbraw/zinc/29/87/47/1061298747.db2.gz AXHKPIPPEQLSES-PBHICJAKSA-N 1 2 321.848 4.232 20 30 DIEDLO C=CC[C@@H]1CCC[N@H+]([C@H](C(=O)OCC)c2cccc(Cl)c2)C1 ZINC001473626962 1061298762 /nfs/dbraw/zinc/29/87/62/1061298762.db2.gz AXHKPIPPEQLSES-PBHICJAKSA-N 1 2 321.848 4.232 20 30 DIEDLO N#Cc1cc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)ccc1Cl ZINC001251722317 1061459335 /nfs/dbraw/zinc/45/93/35/1061459335.db2.gz XNXWETQKUAZWNN-UHFFFAOYSA-N 1 2 322.799 4.355 20 30 DIEDLO CCCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001252130032 1061585986 /nfs/dbraw/zinc/58/59/86/1061585986.db2.gz JDXIJSVWKUSJDP-DLBZAZTESA-N 1 2 323.481 4.017 20 30 DIEDLO CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001252130032 1061586006 /nfs/dbraw/zinc/58/60/06/1061586006.db2.gz JDXIJSVWKUSJDP-DLBZAZTESA-N 1 2 323.481 4.017 20 30 DIEDLO COc1c(C)c[nH+]c(CSCc2cc(F)ccc2C#N)c1C ZINC001254223330 1062056891 /nfs/dbraw/zinc/05/68/91/1062056891.db2.gz RYXZLBAJYOYCSS-UHFFFAOYSA-N 1 2 316.401 4.151 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254294700 1062073028 /nfs/dbraw/zinc/07/30/28/1062073028.db2.gz AHDZMNNHZBKRQD-HNNXBMFYSA-N 1 2 322.424 4.063 20 30 DIEDLO CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001254493024 1062133742 /nfs/dbraw/zinc/13/37/42/1062133742.db2.gz IVOAYPWGVXPQBQ-MSOLQXFVSA-N 1 2 315.482 4.062 20 30 DIEDLO CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001254493024 1062133747 /nfs/dbraw/zinc/13/37/47/1062133747.db2.gz IVOAYPWGVXPQBQ-MSOLQXFVSA-N 1 2 315.482 4.062 20 30 DIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)nc1Cl ZINC001474482632 1062162293 /nfs/dbraw/zinc/16/22/93/1062162293.db2.gz BBAPLWCANVWGSC-LLVKDONJSA-N 1 2 304.743 4.294 20 30 DIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)nc1Cl ZINC001474482632 1062162303 /nfs/dbraw/zinc/16/23/03/1062162303.db2.gz BBAPLWCANVWGSC-LLVKDONJSA-N 1 2 304.743 4.294 20 30 DIEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC001255164846 1062348509 /nfs/dbraw/zinc/34/85/09/1062348509.db2.gz OUSBXFDZHIQAPW-WFASDCNBSA-N 1 2 307.235 4.278 20 30 DIEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001255164846 1062348532 /nfs/dbraw/zinc/34/85/32/1062348532.db2.gz OUSBXFDZHIQAPW-WFASDCNBSA-N 1 2 307.235 4.278 20 30 DIEDLO Cc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2ccncc2C#N)cc1 ZINC001459908864 1062489237 /nfs/dbraw/zinc/48/92/37/1062489237.db2.gz XKUMNDJSDYBAQD-INIZCTEOSA-N 1 2 319.330 4.045 20 30 DIEDLO Clc1cccc(C#CC[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001459932807 1062504007 /nfs/dbraw/zinc/50/40/07/1062504007.db2.gz MPPHWPNLCBEOFN-UHFFFAOYSA-N 1 2 316.231 4.403 20 30 DIEDLO Clc1cccc(C#CC[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001459932807 1062504025 /nfs/dbraw/zinc/50/40/25/1062504025.db2.gz MPPHWPNLCBEOFN-UHFFFAOYSA-N 1 2 316.231 4.403 20 30 DIEDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001460449982 1062860528 /nfs/dbraw/zinc/86/05/28/1062860528.db2.gz VWQPMTCLMNABNQ-LJQANCHMSA-N 1 2 324.399 4.049 20 30 DIEDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001460449982 1062860549 /nfs/dbraw/zinc/86/05/49/1062860549.db2.gz VWQPMTCLMNABNQ-LJQANCHMSA-N 1 2 324.399 4.049 20 30 DIEDLO C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@@H]1CCC[C@@H]1C#N ZINC001460600807 1062924324 /nfs/dbraw/zinc/92/43/24/1062924324.db2.gz GIAVPFFCZFARDL-RHSMWYFYSA-N 1 2 318.848 4.253 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@@H]1CCC[C@@H]1C#N ZINC001460600807 1062924347 /nfs/dbraw/zinc/92/43/47/1062924347.db2.gz GIAVPFFCZFARDL-RHSMWYFYSA-N 1 2 318.848 4.253 20 30 DIEDLO CCCC[N@H+](Cc1nc(C#N)cs1)Cc1c(C)oc(C)c1C ZINC001460818124 1063079821 /nfs/dbraw/zinc/07/98/21/1063079821.db2.gz QEFNXSYLWICWPF-UHFFFAOYSA-N 1 2 317.458 4.335 20 30 DIEDLO CCCC[N@@H+](Cc1nc(C#N)cs1)Cc1c(C)oc(C)c1C ZINC001460818124 1063079842 /nfs/dbraw/zinc/07/98/42/1063079842.db2.gz QEFNXSYLWICWPF-UHFFFAOYSA-N 1 2 317.458 4.335 20 30 DIEDLO COc1ccc2cc(CC[C@H](C)[NH+]3CC(C)(C#N)C3)ccc2c1 ZINC001257275100 1063177154 /nfs/dbraw/zinc/17/71/54/1063177154.db2.gz FAYAAWOFYIRBCE-HNNXBMFYSA-N 1 2 308.425 4.015 20 30 DIEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257828640 1063396814 /nfs/dbraw/zinc/39/68/14/1063396814.db2.gz OBDOHJFHRUGVHD-ACBHZAAOSA-N 1 2 300.446 4.186 20 30 DIEDLO CCCCCCC[C@@H](C)[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001258049599 1063481004 /nfs/dbraw/zinc/48/10/04/1063481004.db2.gz LSADQCCHSHMVNE-MRXNPFEDSA-N 1 2 319.493 4.299 20 30 DIEDLO CCCCCCC[C@@H](C)[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001258049599 1063481012 /nfs/dbraw/zinc/48/10/12/1063481012.db2.gz LSADQCCHSHMVNE-MRXNPFEDSA-N 1 2 319.493 4.299 20 30 DIEDLO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCCC[C@@H]1C#N ZINC001258314033 1063605057 /nfs/dbraw/zinc/60/50/57/1063605057.db2.gz OSKOUUPTEALPKG-HUUCEWRRSA-N 1 2 306.475 4.448 20 30 DIEDLO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCCC[C@@H]1C#N ZINC001258314033 1063605069 /nfs/dbraw/zinc/60/50/69/1063605069.db2.gz OSKOUUPTEALPKG-HUUCEWRRSA-N 1 2 306.475 4.448 20 30 DIEDLO Cc1c2ccccc2oc1C(=O)/C=C/c1ccc[nH+]c1N(C)C ZINC001258512945 1063677519 /nfs/dbraw/zinc/67/75/19/1063677519.db2.gz PGMFIZDCRCFYGI-ZHACJKMWSA-N 1 2 306.365 4.098 20 30 DIEDLO C#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC001461791427 1063720925 /nfs/dbraw/zinc/72/09/25/1063720925.db2.gz CXJHUDHFSCAJJA-UHFFFAOYSA-N 1 2 307.784 4.119 20 30 DIEDLO CCCCCCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC001307171102 1064857505 /nfs/dbraw/zinc/85/75/05/1064857505.db2.gz KWVFYFIIPQVEHF-UHFFFAOYSA-N 1 2 309.417 4.198 20 30 DIEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001307733300 1065594138 /nfs/dbraw/zinc/59/41/38/1065594138.db2.gz TZMNSYTUJPOQJA-LBPRGKRZSA-N 1 2 314.307 4.154 20 30 DIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001307733300 1065594143 /nfs/dbraw/zinc/59/41/43/1065594143.db2.gz TZMNSYTUJPOQJA-LBPRGKRZSA-N 1 2 314.307 4.154 20 30 DIEDLO C=CCC[C@H](CCC)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001308730226 1066206384 /nfs/dbraw/zinc/20/63/84/1066206384.db2.gz FDGJPOYIRQOHSS-BBWFWOEESA-N 1 2 317.477 4.242 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1ccc(F)cc1 ZINC001308785230 1066259427 /nfs/dbraw/zinc/25/94/27/1066259427.db2.gz CGXHXXCODBVQIG-CYBMUJFWSA-N 1 2 313.319 4.370 20 30 DIEDLO Fc1cccc(Cl)c1CC1C[NH+](CC#Cc2ccccc2)C1 ZINC001308807963 1066285284 /nfs/dbraw/zinc/28/52/84/1066285284.db2.gz FQBZLDNWZTZTKD-UHFFFAOYSA-N 1 2 313.803 4.005 20 30 DIEDLO C=CCC[C@H]([NH2+]Cc1csc([C@H](C)OC)n1)c1ccco1 ZINC000286131380 335032758 /nfs/dbraw/zinc/03/27/58/335032758.db2.gz OMRGOOZPGCFMMV-JSGCOSHPSA-N 1 2 306.431 4.241 20 30 DIEDLO C[N@H+](Cc1csc(Br)c1)Cc1ccccc1C#N ZINC000042254896 183247507 /nfs/dbraw/zinc/24/75/07/183247507.db2.gz DVIQPMBKUPAYGY-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1csc(Br)c1)Cc1ccccc1C#N ZINC000042254896 183247508 /nfs/dbraw/zinc/24/75/08/183247508.db2.gz DVIQPMBKUPAYGY-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[C@H](SCCc1[nH+]c2ccccc2n1C)c1cccc(C#N)c1 ZINC000563838278 335043239 /nfs/dbraw/zinc/04/32/39/335043239.db2.gz YKCQJUUGEHWGSI-AWEZNQCLSA-N 1 2 321.449 4.482 20 30 DIEDLO C=CC[C@H]1N(C(=O)Nc2c(C)cc[nH+]c2C)CCCC1(C)C ZINC000287387829 335045568 /nfs/dbraw/zinc/04/55/68/335045568.db2.gz COKJBYQUHWJLNL-OAHLLOKOSA-N 1 2 301.434 4.297 20 30 DIEDLO C[C@@H]1C[C@H]([NH2+]c2ccc(OCc3cccc(C#N)c3)cc2)CCO1 ZINC000272696625 130053748 /nfs/dbraw/zinc/05/37/48/130053748.db2.gz VIDDKHHRLPWGOW-DNVCBOLYSA-N 1 2 322.408 4.117 20 30 DIEDLO C[C@@H]1C[C@@H]([NH2+]c2ccc(OCc3cccc(C#N)c3)cc2)CCO1 ZINC000272696622 130053772 /nfs/dbraw/zinc/05/37/72/130053772.db2.gz VIDDKHHRLPWGOW-BEFAXECRSA-N 1 2 322.408 4.117 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c(F)c1 ZINC000187791185 332849179 /nfs/dbraw/zinc/84/91/79/332849179.db2.gz AJLRIKSHXJRYSO-SFHVURJKSA-N 1 2 316.326 4.383 20 30 DIEDLO C[N@H+](Cc1ccccc1C(C)(C)C#N)Cc1c(F)cccc1F ZINC000559371680 332136591 /nfs/dbraw/zinc/13/65/91/332136591.db2.gz SDOGZGMHRPRUQJ-UHFFFAOYSA-N 1 2 314.379 4.398 20 30 DIEDLO C[N@@H+](Cc1ccccc1C(C)(C)C#N)Cc1c(F)cccc1F ZINC000559371680 332136592 /nfs/dbraw/zinc/13/65/92/332136592.db2.gz SDOGZGMHRPRUQJ-UHFFFAOYSA-N 1 2 314.379 4.398 20 30 DIEDLO CC[N@H+](Cc1nc(C2CCCC2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000133506058 332140323 /nfs/dbraw/zinc/14/03/23/332140323.db2.gz PZALVSAGJSNTLE-CQSZACIVSA-N 1 2 324.428 4.182 20 30 DIEDLO CC[N@@H+](Cc1nc(C2CCCC2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000133506058 332140325 /nfs/dbraw/zinc/14/03/25/332140325.db2.gz PZALVSAGJSNTLE-CQSZACIVSA-N 1 2 324.428 4.182 20 30 DIEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000428255021 332189067 /nfs/dbraw/zinc/18/90/67/332189067.db2.gz IVWTVKUZPYFERR-MSOLQXFVSA-N 1 2 323.440 4.378 20 30 DIEDLO Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000428255021 332189069 /nfs/dbraw/zinc/18/90/69/332189069.db2.gz IVWTVKUZPYFERR-MSOLQXFVSA-N 1 2 323.440 4.378 20 30 DIEDLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363720840 332232330 /nfs/dbraw/zinc/23/23/30/332232330.db2.gz SKQGBRNKUCPHBR-CQSZACIVSA-N 1 2 316.408 4.108 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1cc(F)ccc1C#N ZINC000536487613 332251825 /nfs/dbraw/zinc/25/18/25/332251825.db2.gz FNCPIIYABALREI-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1cc(F)ccc1C#N ZINC000536487613 332251826 /nfs/dbraw/zinc/25/18/26/332251826.db2.gz FNCPIIYABALREI-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=CCC(C)(C)c1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000560024251 332302997 /nfs/dbraw/zinc/30/29/97/332302997.db2.gz JCWLZXVQQPKWGW-MRXNPFEDSA-N 1 2 311.429 4.260 20 30 DIEDLO C=CCC(C)(C)c1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000560024251 332302998 /nfs/dbraw/zinc/30/29/98/332302998.db2.gz JCWLZXVQQPKWGW-MRXNPFEDSA-N 1 2 311.429 4.260 20 30 DIEDLO CC[C@@H](C#N)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000122193132 332404636 /nfs/dbraw/zinc/40/46/36/332404636.db2.gz SILUGFFKFGQMGB-FUHWJXTLSA-N 1 2 303.409 4.192 20 30 DIEDLO CC[C@H](C#N)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000122192993 332404671 /nfs/dbraw/zinc/40/46/71/332404671.db2.gz SILUGFFKFGQMGB-AEFFLSMTSA-N 1 2 303.409 4.192 20 30 DIEDLO COc1ccccc1[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccco1 ZINC000151126758 332528222 /nfs/dbraw/zinc/52/82/22/332528222.db2.gz JTIRHHKYQMLDLD-GOSISDBHSA-N 1 2 324.405 4.101 20 30 DIEDLO FC(F)C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000147328024 332587117 /nfs/dbraw/zinc/58/71/17/332587117.db2.gz KOTAKUCWCVPGFH-UHFFFAOYSA-N 1 2 307.184 4.079 20 30 DIEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187801953 333238191 /nfs/dbraw/zinc/23/81/91/333238191.db2.gz VHIMIOARNZTQFY-WBMJQRKESA-N 1 2 316.351 4.366 20 30 DIEDLO Cc1cc([NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1OC1CCOCC1 ZINC000193264766 333300756 /nfs/dbraw/zinc/30/07/56/333300756.db2.gz ZDKUFLNUBOXYOM-HZPDHXFCSA-N 1 2 314.429 4.047 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000364859334 333332445 /nfs/dbraw/zinc/33/24/45/333332445.db2.gz LMMIONDNIZRODV-QZTJIDSGSA-N 1 2 311.816 4.007 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000364859334 333332447 /nfs/dbraw/zinc/33/24/47/333332447.db2.gz LMMIONDNIZRODV-QZTJIDSGSA-N 1 2 311.816 4.007 20 30 DIEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)[C@@H]1c1cccs1 ZINC000583458592 333358075 /nfs/dbraw/zinc/35/80/75/333358075.db2.gz NCDOKYYOXFAWSE-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)[C@@H]1c1cccs1 ZINC000583458592 333358076 /nfs/dbraw/zinc/35/80/76/333358076.db2.gz NCDOKYYOXFAWSE-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO N#Cc1c(C[N@@H+](Cc2ccccc2F)C2CC2)cn2ccccc12 ZINC000343374108 335160164 /nfs/dbraw/zinc/16/01/64/335160164.db2.gz GMSPOOQSBLZTDW-UHFFFAOYSA-N 1 2 319.383 4.115 20 30 DIEDLO N#Cc1c(C[N@H+](Cc2ccccc2F)C2CC2)cn2ccccc12 ZINC000343374108 335160165 /nfs/dbraw/zinc/16/01/65/335160165.db2.gz GMSPOOQSBLZTDW-UHFFFAOYSA-N 1 2 319.383 4.115 20 30 DIEDLO N#C[C@@H]1CCC[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000278377286 334095571 /nfs/dbraw/zinc/09/55/71/334095571.db2.gz CUHNZWZFAYXMGG-WBVHZDCISA-N 1 2 318.424 4.096 20 30 DIEDLO C[C@H](c1ccsc1)[NH+]1CCN(CCCCC(C)(C)C#N)CC1 ZINC000278631690 334098917 /nfs/dbraw/zinc/09/89/17/334098917.db2.gz GKCCENCRDCYCQC-MRXNPFEDSA-N 1 2 319.518 4.147 20 30 DIEDLO C=CCOc1ccc(CNc2ccc3c(c2)CCC[NH2+]3)cc1OC ZINC000414845797 334116191 /nfs/dbraw/zinc/11/61/91/334116191.db2.gz GEIUWIZUOOZRSW-UHFFFAOYSA-N 1 2 324.424 4.230 20 30 DIEDLO N#CC1(CCC[N@H+](CC2CCC2)c2ccccc2)CCOCC1 ZINC000281138611 334123309 /nfs/dbraw/zinc/12/33/09/334123309.db2.gz AIWIYTOCYSNXMX-UHFFFAOYSA-N 1 2 312.457 4.394 20 30 DIEDLO N#CC1(CCC[N@@H+](CC2CCC2)c2ccccc2)CCOCC1 ZINC000281138611 334123311 /nfs/dbraw/zinc/12/33/11/334123311.db2.gz AIWIYTOCYSNXMX-UHFFFAOYSA-N 1 2 312.457 4.394 20 30 DIEDLO CC[N@H+](CCCC1(C#N)CCOCC1)c1cccc(C)c1C ZINC000281142334 334123327 /nfs/dbraw/zinc/12/33/27/334123327.db2.gz AVEGREULCZXWGX-UHFFFAOYSA-N 1 2 300.446 4.230 20 30 DIEDLO CC[N@@H+](CCCC1(C#N)CCOCC1)c1cccc(C)c1C ZINC000281142334 334123328 /nfs/dbraw/zinc/12/33/28/334123328.db2.gz AVEGREULCZXWGX-UHFFFAOYSA-N 1 2 300.446 4.230 20 30 DIEDLO Cc1ccc[nH+]c1[C@@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)C1 ZINC000281497390 334126644 /nfs/dbraw/zinc/12/66/44/334126644.db2.gz GNQWLWGNUMKMSD-IAGOWNOFSA-N 1 2 321.424 4.431 20 30 DIEDLO CC[N@H+](CCCC1(C#N)CCOCC1)c1ccc(C)cc1C ZINC000282103213 334131290 /nfs/dbraw/zinc/13/12/90/334131290.db2.gz WFYVEVAAJARULF-UHFFFAOYSA-N 1 2 300.446 4.230 20 30 DIEDLO CC[N@@H+](CCCC1(C#N)CCOCC1)c1ccc(C)cc1C ZINC000282103213 334131291 /nfs/dbraw/zinc/13/12/91/334131291.db2.gz WFYVEVAAJARULF-UHFFFAOYSA-N 1 2 300.446 4.230 20 30 DIEDLO CCCCCCCCCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000283690484 334141074 /nfs/dbraw/zinc/14/10/74/334141074.db2.gz AENOUEZUJGJIPZ-KRWDZBQOSA-N 1 2 315.465 4.019 20 30 DIEDLO N#CCC[C@H](C#N)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000295633879 334226178 /nfs/dbraw/zinc/22/61/78/334226178.db2.gz GBYHYLZKFCXUGR-QGZVFWFLSA-N 1 2 315.420 4.155 20 30 DIEDLO N#CCC[C@H](C#N)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000295633879 334226179 /nfs/dbraw/zinc/22/61/79/334226179.db2.gz GBYHYLZKFCXUGR-QGZVFWFLSA-N 1 2 315.420 4.155 20 30 DIEDLO Cc1sc([C@@H](C)[NH2+]CCC#N)nc1-c1ccc(Cl)cc1 ZINC000298712924 334250903 /nfs/dbraw/zinc/25/09/03/334250903.db2.gz AMXAXXGKXHIQTQ-SNVBAGLBSA-N 1 2 305.834 4.336 20 30 DIEDLO C#CCCCCC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000119671286 334284994 /nfs/dbraw/zinc/28/49/94/334284994.db2.gz KBTQHDRUSMDMTK-UHFFFAOYSA-N 1 2 321.424 4.019 20 30 DIEDLO N#Cc1cccc(C[NH2+][C@H](c2nccs2)c2ccccc2)c1F ZINC000340868633 334391808 /nfs/dbraw/zinc/39/18/08/334391808.db2.gz JTUWYYIIEVITOR-KRWDZBQOSA-N 1 2 323.396 4.033 20 30 DIEDLO Cc1cc(CNc2[nH+]cccc2OCCCC#N)ccc1Cl ZINC000341988035 334503457 /nfs/dbraw/zinc/50/34/57/334503457.db2.gz XPHIZHWXVCWAFA-UHFFFAOYSA-N 1 2 315.804 4.338 20 30 DIEDLO Cc1cccc(C[NH+](CCC(C)(C)C#N)Cc2cccc(C)n2)n1 ZINC000345713957 335345060 /nfs/dbraw/zinc/34/50/60/335345060.db2.gz PYNPTUBVQAWNRT-UHFFFAOYSA-N 1 2 322.456 4.036 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(OC(C)(C)C)n1 ZINC000351687279 336058425 /nfs/dbraw/zinc/05/84/25/336058425.db2.gz VWZFWOIMGKQJBZ-UHFFFAOYSA-N 1 2 303.450 4.021 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(OC(C)(C)C)n1 ZINC000351687279 336058427 /nfs/dbraw/zinc/05/84/27/336058427.db2.gz VWZFWOIMGKQJBZ-UHFFFAOYSA-N 1 2 303.450 4.021 20 30 DIEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(Cl)c1Cl ZINC000352797021 336237678 /nfs/dbraw/zinc/23/76/78/336237678.db2.gz MDDMMYXVULBNTK-QMMMGPOBSA-N 1 2 312.225 4.172 20 30 DIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000103139562 336239493 /nfs/dbraw/zinc/23/94/93/336239493.db2.gz YPFGOYDRSRZPON-NSHDSACASA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000103139562 336239494 /nfs/dbraw/zinc/23/94/94/336239494.db2.gz YPFGOYDRSRZPON-NSHDSACASA-N 1 2 304.315 4.169 20 30 DIEDLO CC(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1Cl ZINC000352848635 336278441 /nfs/dbraw/zinc/27/84/41/336278441.db2.gz WIWJTQUDBBAORD-HNNXBMFYSA-N 1 2 305.834 4.155 20 30 DIEDLO Cc1cc(C)c2ncc(C#N)c(NCCc3cc[nH+]cc3C)c2c1 ZINC000301824720 336332458 /nfs/dbraw/zinc/33/24/58/336332458.db2.gz IJKXPOPBGMEING-UHFFFAOYSA-N 1 2 316.408 4.081 20 30 DIEDLO C#Cc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2OC)cc1 ZINC000367293697 336607558 /nfs/dbraw/zinc/60/75/58/336607558.db2.gz DGVIETHEHHAXPU-NRFANRHFSA-N 1 2 317.388 4.149 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccsc1Cl ZINC000358364783 336626524 /nfs/dbraw/zinc/62/65/24/336626524.db2.gz NJEPLNAOVUUNLS-UHFFFAOYSA-N 1 2 307.806 4.091 20 30 DIEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000173908255 337137508 /nfs/dbraw/zinc/13/75/08/337137508.db2.gz UMQPRQHLEUEAGC-CQSZACIVSA-N 1 2 303.365 4.064 20 30 DIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1csc([C@@H](C)OC)n1 ZINC000175134896 337144718 /nfs/dbraw/zinc/14/47/18/337144718.db2.gz FAOPWAYASLHGFW-OAHLLOKOSA-N 1 2 316.470 4.081 20 30 DIEDLO C=CC[N@H+](CCc1ccccc1)Cc1csc([C@@H](C)OC)n1 ZINC000175134896 337144719 /nfs/dbraw/zinc/14/47/19/337144719.db2.gz FAOPWAYASLHGFW-OAHLLOKOSA-N 1 2 316.470 4.081 20 30 DIEDLO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000184851562 337200558 /nfs/dbraw/zinc/20/05/58/337200558.db2.gz XBPHOCYMSLMQHZ-HNNXBMFYSA-N 1 2 320.367 4.183 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)s1)[C@]1(c2ccccc2)CCCCC1=O ZINC000583032897 337231389 /nfs/dbraw/zinc/23/13/89/337231389.db2.gz XTFDLIXPGTWKGF-IBGZPJMESA-N 1 2 324.449 4.090 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@]1(c2ccccc2)CCCCC1=O ZINC000583032897 337231390 /nfs/dbraw/zinc/23/13/90/337231390.db2.gz XTFDLIXPGTWKGF-IBGZPJMESA-N 1 2 324.449 4.090 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(C(F)F)cc1 ZINC000530369427 337270616 /nfs/dbraw/zinc/27/06/16/337270616.db2.gz BOEJWZUXWVDCRN-UHFFFAOYSA-N 1 2 317.339 4.314 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000584556841 337360817 /nfs/dbraw/zinc/36/08/17/337360817.db2.gz XPFKYJHAOIGMED-RDTXWAMCSA-N 1 2 315.413 4.067 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000584556841 337360818 /nfs/dbraw/zinc/36/08/18/337360818.db2.gz XPFKYJHAOIGMED-RDTXWAMCSA-N 1 2 315.413 4.067 20 30 DIEDLO COc1cc(CNc2cc(C)[nH+]c3c(F)cccc23)ccc1C#N ZINC000571967152 337584592 /nfs/dbraw/zinc/58/45/92/337584592.db2.gz OZATVIQYRXZOQJ-UHFFFAOYSA-N 1 2 321.355 4.175 20 30 DIEDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(F)c2C#N)s1 ZINC000428255957 338044700 /nfs/dbraw/zinc/04/47/00/338044700.db2.gz ZUYKWHXFXQNHQH-LBPRGKRZSA-N 1 2 317.433 4.218 20 30 DIEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc(F)c2C#N)s1 ZINC000428255957 338044701 /nfs/dbraw/zinc/04/47/01/338044701.db2.gz ZUYKWHXFXQNHQH-LBPRGKRZSA-N 1 2 317.433 4.218 20 30 DIEDLO C=CC[N@@H+](CCC#N)[C@H](CC)c1ccc(Br)cc1 ZINC000428874300 338063548 /nfs/dbraw/zinc/06/35/48/338063548.db2.gz ZDWLUCRVOLUUGB-OAHLLOKOSA-N 1 2 307.235 4.302 20 30 DIEDLO C=CC[N@H+](CCC#N)[C@H](CC)c1ccc(Br)cc1 ZINC000428874300 338063549 /nfs/dbraw/zinc/06/35/49/338063549.db2.gz ZDWLUCRVOLUUGB-OAHLLOKOSA-N 1 2 307.235 4.302 20 30 DIEDLO CC(C)([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1F ZINC000429257460 338075164 /nfs/dbraw/zinc/07/51/64/338075164.db2.gz RPUOSVDFXMAHLZ-UHFFFAOYSA-N 1 2 302.780 4.376 20 30 DIEDLO N#C[C@@H]1C[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C[C@H]1c1ccccc1 ZINC000430125772 338098211 /nfs/dbraw/zinc/09/82/11/338098211.db2.gz NBPVCCYQTFBWGG-APWZRJJASA-N 1 2 319.383 4.046 20 30 DIEDLO N#C[C@@H]1C[N@H+](Cc2cc3ccc(F)cc3[nH]2)C[C@H]1c1ccccc1 ZINC000430125772 338098212 /nfs/dbraw/zinc/09/82/12/338098212.db2.gz NBPVCCYQTFBWGG-APWZRJJASA-N 1 2 319.383 4.046 20 30 DIEDLO Cc1cc([C@H]2CCC[N@@H+]2CC2(C#N)CC2)ccc1Br ZINC000430237645 338102591 /nfs/dbraw/zinc/10/25/91/338102591.db2.gz IRHVCKCEWWLOKG-OAHLLOKOSA-N 1 2 319.246 4.198 20 30 DIEDLO Cc1cc([C@H]2CCC[N@H+]2CC2(C#N)CC2)ccc1Br ZINC000430237645 338102592 /nfs/dbraw/zinc/10/25/92/338102592.db2.gz IRHVCKCEWWLOKG-OAHLLOKOSA-N 1 2 319.246 4.198 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cc1F ZINC000432792067 338168193 /nfs/dbraw/zinc/16/81/93/338168193.db2.gz JHRUXQGJMKVJDW-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cc1F ZINC000432792067 338168194 /nfs/dbraw/zinc/16/81/94/338168194.db2.gz JHRUXQGJMKVJDW-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=CCCCCC[N@@H+](C)Cc1noc(Cc2ccccc2C)n1 ZINC000435065553 338231505 /nfs/dbraw/zinc/23/15/05/338231505.db2.gz KIPXPCVCJJGWJW-UHFFFAOYSA-N 1 2 313.445 4.147 20 30 DIEDLO C=CCCCCC[N@H+](C)Cc1noc(Cc2ccccc2C)n1 ZINC000435065553 338231506 /nfs/dbraw/zinc/23/15/06/338231506.db2.gz KIPXPCVCJJGWJW-UHFFFAOYSA-N 1 2 313.445 4.147 20 30 DIEDLO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1Cl)c1nc(C)cs1 ZINC000439444735 338369704 /nfs/dbraw/zinc/36/97/04/338369704.db2.gz BZIKLWQUYLAUCW-INIZCTEOSA-N 1 2 319.861 4.392 20 30 DIEDLO Cc1csc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2Cl)n1 ZINC000439458022 338370135 /nfs/dbraw/zinc/37/01/35/338370135.db2.gz CWDQHIIUFWWUHT-UHFFFAOYSA-N 1 2 305.834 4.002 20 30 DIEDLO C=CC[C@H](CC)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000439488720 338371701 /nfs/dbraw/zinc/37/17/01/338371701.db2.gz ALIAAJQKYHPODM-AWEZNQCLSA-N 1 2 311.385 4.350 20 30 DIEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459764866 339047250 /nfs/dbraw/zinc/04/72/50/339047250.db2.gz ZRICIYDXIPDONI-PKOBYXMFSA-N 1 2 307.441 4.437 20 30 DIEDLO N#CCC[C@@H](C#N)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459764866 339047251 /nfs/dbraw/zinc/04/72/51/339047251.db2.gz ZRICIYDXIPDONI-PKOBYXMFSA-N 1 2 307.441 4.437 20 30 DIEDLO CCCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000462846138 339093971 /nfs/dbraw/zinc/09/39/71/339093971.db2.gz TWIXDCMFWMDUDG-RHSMWYFYSA-N 1 2 316.445 4.109 20 30 DIEDLO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C#N)C1CCCCC1 ZINC000463916766 339128906 /nfs/dbraw/zinc/12/89/06/339128906.db2.gz VPWUTSQYOUZYFA-RBUKOAKNSA-N 1 2 302.437 4.455 20 30 DIEDLO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C#N)C1CCCCC1 ZINC000463916767 339128945 /nfs/dbraw/zinc/12/89/45/339128945.db2.gz VPWUTSQYOUZYFA-RTBURBONSA-N 1 2 302.437 4.455 20 30 DIEDLO COc1ccc(C#N)cc1N[C@H]1CCC[C@H](c2[nH+]cccc2C)C1 ZINC000467493028 339240407 /nfs/dbraw/zinc/24/04/07/339240407.db2.gz FKQNYIUWKSNTHH-IRXDYDNUSA-N 1 2 321.424 4.409 20 30 DIEDLO C[N@@H+](Cc1cc(F)ccc1C#N)Cc1ccccc1C(F)(F)F ZINC000468855711 339272766 /nfs/dbraw/zinc/27/27/66/339272766.db2.gz FMADPWDWWYAHTC-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C[N@H+](Cc1cc(F)ccc1C#N)Cc1ccccc1C(F)(F)F ZINC000468855711 339272767 /nfs/dbraw/zinc/27/27/67/339272767.db2.gz FMADPWDWWYAHTC-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO CC[N@@H+](Cc1ccc(Br)c(Cl)c1)C[C@@H](C)C#N ZINC000469597679 339293941 /nfs/dbraw/zinc/29/39/41/339293941.db2.gz XHXZJLBJLDUJOE-JTQLQIEISA-N 1 2 315.642 4.084 20 30 DIEDLO CC[N@H+](Cc1ccc(Br)c(Cl)c1)C[C@@H](C)C#N ZINC000469597679 339293942 /nfs/dbraw/zinc/29/39/42/339293942.db2.gz XHXZJLBJLDUJOE-JTQLQIEISA-N 1 2 315.642 4.084 20 30 DIEDLO N#Cc1ccccc1C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000469785247 339299797 /nfs/dbraw/zinc/29/97/97/339299797.db2.gz AZYVYQKXIDXACA-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO N#Cc1ccccc1C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000469785247 339299798 /nfs/dbraw/zinc/29/97/98/339299798.db2.gz AZYVYQKXIDXACA-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000472235479 339366867 /nfs/dbraw/zinc/36/68/67/339366867.db2.gz AKZFLQXBAWOQEC-FUHWJXTLSA-N 1 2 311.816 4.007 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000472235479 339366868 /nfs/dbraw/zinc/36/68/68/339366868.db2.gz AKZFLQXBAWOQEC-FUHWJXTLSA-N 1 2 311.816 4.007 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)c(F)c1 ZINC000481564427 339606642 /nfs/dbraw/zinc/60/66/42/339606642.db2.gz DFXWRXIPMICQCF-GOSISDBHSA-N 1 2 316.326 4.383 20 30 DIEDLO Cc1cc(C[N@H+](CC#N)C2CCCC2)ccc1Br ZINC000500102160 340050260 /nfs/dbraw/zinc/05/02/60/340050260.db2.gz AVWUTBOUONZMAS-UHFFFAOYSA-N 1 2 307.235 4.026 20 30 DIEDLO Cc1cc(C[N@@H+](CC#N)C2CCCC2)ccc1Br ZINC000500102160 340050261 /nfs/dbraw/zinc/05/02/61/340050261.db2.gz AVWUTBOUONZMAS-UHFFFAOYSA-N 1 2 307.235 4.026 20 30 DIEDLO CC(C)C[N@H+](Cc1ccccc1Br)CC1(C#N)CC1 ZINC000501539022 340083068 /nfs/dbraw/zinc/08/30/68/340083068.db2.gz MDGZVLGOUIGFMV-UHFFFAOYSA-N 1 2 321.262 4.211 20 30 DIEDLO CC(C)C[N@@H+](Cc1ccccc1Br)CC1(C#N)CC1 ZINC000501539022 340083069 /nfs/dbraw/zinc/08/30/69/340083069.db2.gz MDGZVLGOUIGFMV-UHFFFAOYSA-N 1 2 321.262 4.211 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(C(C)=O)ccc1OCC ZINC000502298515 340099055 /nfs/dbraw/zinc/09/90/55/340099055.db2.gz FLGXOVZCENULKL-UHFFFAOYSA-N 1 2 323.436 4.476 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C(C)=O)ccc1OCC ZINC000502298515 340099056 /nfs/dbraw/zinc/09/90/56/340099056.db2.gz FLGXOVZCENULKL-UHFFFAOYSA-N 1 2 323.436 4.476 20 30 DIEDLO C=C(C)CCSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000505428102 340168165 /nfs/dbraw/zinc/16/81/65/340168165.db2.gz PXCGOJAFMUONOL-AWEZNQCLSA-N 1 2 310.511 4.149 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2cc(F)c(F)cc2F)C2CC2)cc1 ZINC000506549229 340196643 /nfs/dbraw/zinc/19/66/43/340196643.db2.gz YOEPJCMEQGDVMC-UHFFFAOYSA-N 1 2 316.326 4.140 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2cc(F)c(F)cc2F)C2CC2)cc1 ZINC000506549229 340196644 /nfs/dbraw/zinc/19/66/44/340196644.db2.gz YOEPJCMEQGDVMC-UHFFFAOYSA-N 1 2 316.326 4.140 20 30 DIEDLO C=CC[N@@H+](Cc1ncc(CSC)s1)Cc1ccccc1 ZINC000507368584 340218237 /nfs/dbraw/zinc/21/82/37/340218237.db2.gz APKFFNPPAJBBLN-UHFFFAOYSA-N 1 2 304.484 4.194 20 30 DIEDLO C=CC[N@H+](Cc1ncc(CSC)s1)Cc1ccccc1 ZINC000507368584 340218238 /nfs/dbraw/zinc/21/82/38/340218238.db2.gz APKFFNPPAJBBLN-UHFFFAOYSA-N 1 2 304.484 4.194 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2)Cc2ccccc2F)o1 ZINC000508762765 340252701 /nfs/dbraw/zinc/25/27/01/340252701.db2.gz DSKCHGOQIOFXFB-UHFFFAOYSA-N 1 2 320.367 4.493 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccccc2F)o1 ZINC000508762765 340252702 /nfs/dbraw/zinc/25/27/02/340252702.db2.gz DSKCHGOQIOFXFB-UHFFFAOYSA-N 1 2 320.367 4.493 20 30 DIEDLO CC[N@@H+](Cc1ccccc1OCc1ccccc1)C[C@@H](C)C#N ZINC000509817400 340280140 /nfs/dbraw/zinc/28/01/40/340280140.db2.gz BMCRCZJXDUWWOO-KRWDZBQOSA-N 1 2 308.425 4.247 20 30 DIEDLO CC[N@H+](Cc1ccccc1OCc1ccccc1)C[C@@H](C)C#N ZINC000509817400 340280141 /nfs/dbraw/zinc/28/01/41/340280141.db2.gz BMCRCZJXDUWWOO-KRWDZBQOSA-N 1 2 308.425 4.247 20 30 DIEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000303218954 340313420 /nfs/dbraw/zinc/31/34/20/340313420.db2.gz USWKISFOVKUGRU-SFHVURJKSA-N 1 2 310.372 4.043 20 30 DIEDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000303218954 340313421 /nfs/dbraw/zinc/31/34/21/340313421.db2.gz USWKISFOVKUGRU-SFHVURJKSA-N 1 2 310.372 4.043 20 30 DIEDLO C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000510972470 340316665 /nfs/dbraw/zinc/31/66/65/340316665.db2.gz YDIKTBFWIWLFSW-SNVBAGLBSA-N 1 2 301.192 4.382 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1F ZINC000511598383 340331893 /nfs/dbraw/zinc/33/18/93/340331893.db2.gz WXJZUYQRSYNMCD-MRXNPFEDSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1F ZINC000511598383 340331894 /nfs/dbraw/zinc/33/18/94/340331894.db2.gz WXJZUYQRSYNMCD-MRXNPFEDSA-N 1 2 300.764 4.298 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C)cc1Cl ZINC000512181143 340351305 /nfs/dbraw/zinc/35/13/05/340351305.db2.gz PDVGGFXLUCMFDR-UHFFFAOYSA-N 1 2 319.832 4.312 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)cc1Cl ZINC000512181143 340351306 /nfs/dbraw/zinc/35/13/06/340351306.db2.gz PDVGGFXLUCMFDR-UHFFFAOYSA-N 1 2 319.832 4.312 20 30 DIEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cccc(C#N)c1F ZINC000512402819 340360777 /nfs/dbraw/zinc/36/07/77/340360777.db2.gz HZVQOWHPPFHZNZ-LLVKDONJSA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000512402819 340360778 /nfs/dbraw/zinc/36/07/78/340360778.db2.gz HZVQOWHPPFHZNZ-LLVKDONJSA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(C#N)cc1F ZINC000512664771 340371835 /nfs/dbraw/zinc/37/18/35/340371835.db2.gz BHXUTZRESGEGGL-AWEZNQCLSA-N 1 2 324.403 4.256 20 30 DIEDLO N#Cc1csc(C[NH2+]CC(F)(F)c2ccc(Cl)cc2)c1 ZINC000513001706 340387783 /nfs/dbraw/zinc/38/77/83/340387783.db2.gz LYUMQCNQQPKIMM-UHFFFAOYSA-N 1 2 312.772 4.155 20 30 DIEDLO N#Cc1cnc(Nc2ccc(NC3CCCC3)[nH+]c2)c(Cl)c1 ZINC000513614795 340415107 /nfs/dbraw/zinc/41/51/07/340415107.db2.gz KMUHDDKFOOBNCF-UHFFFAOYSA-N 1 2 313.792 4.100 20 30 DIEDLO C=C(C)COc1cc(C[NH+]2Cc3ccccc3C2)ccc1OC ZINC000513672339 340418605 /nfs/dbraw/zinc/41/86/05/340418605.db2.gz JTGZQISZPXQFOO-UHFFFAOYSA-N 1 2 309.409 4.166 20 30 DIEDLO CC#CCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000185350839 340500335 /nfs/dbraw/zinc/50/03/35/340500335.db2.gz ODEFMHWHJHKPLV-UHFFFAOYSA-N 1 2 321.424 4.019 20 30 DIEDLO C=CCn1c2ccccc2nc1SCc1c[nH+]c2ccccn12 ZINC000540728771 340943596 /nfs/dbraw/zinc/94/35/96/340943596.db2.gz OHSPWKWJRHYJGB-UHFFFAOYSA-N 1 2 320.421 4.162 20 30 DIEDLO N#Cc1csc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000130129905 341001310 /nfs/dbraw/zinc/00/13/10/341001310.db2.gz VMWXVNMCSVHRSZ-UHFFFAOYSA-N 1 2 304.365 4.063 20 30 DIEDLO N#Cc1csc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000130129905 341001311 /nfs/dbraw/zinc/00/13/11/341001311.db2.gz VMWXVNMCSVHRSZ-UHFFFAOYSA-N 1 2 304.365 4.063 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2cnc(C3CCCCC3)s2)c1 ZINC000545220373 341115113 /nfs/dbraw/zinc/11/51/13/341115113.db2.gz SLFULXAPWKMWGP-UHFFFAOYSA-N 1 2 312.442 4.264 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2cc(Cl)ccc2OC(F)F)c1 ZINC000545927533 341146716 /nfs/dbraw/zinc/14/67/16/341146716.db2.gz DBAMWKYBDPLNSH-UHFFFAOYSA-N 1 2 323.730 4.015 20 30 DIEDLO N#Cc1ccc(CNc2[nH+]cccc2OCc2ccccc2)cc1 ZINC000546179552 341156195 /nfs/dbraw/zinc/15/61/95/341156195.db2.gz WUZMBWQXXLXCMF-UHFFFAOYSA-N 1 2 315.376 4.144 20 30 DIEDLO N#Cc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)c(F)c1 ZINC000237708854 341218713 /nfs/dbraw/zinc/21/87/13/341218713.db2.gz AVAQNHQTMZWZPR-UHFFFAOYSA-N 1 2 309.171 4.294 20 30 DIEDLO CCC[N@H+](CC#N)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000549801513 341303346 /nfs/dbraw/zinc/30/33/46/341303346.db2.gz GBUSOJAQGKMMIS-UHFFFAOYSA-N 1 2 314.379 4.332 20 30 DIEDLO CCC[N@@H+](CC#N)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000549801513 341303347 /nfs/dbraw/zinc/30/33/47/341303347.db2.gz GBUSOJAQGKMMIS-UHFFFAOYSA-N 1 2 314.379 4.332 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1ccc(F)c(F)c1 ZINC000551281710 341337017 /nfs/dbraw/zinc/33/70/17/341337017.db2.gz HEJNKPNKRIROMR-APPDUMDISA-N 1 2 306.331 4.467 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2cccs2)o1)c1ccc(C#N)cc1 ZINC000338361083 525625205 /nfs/dbraw/zinc/62/52/05/525625205.db2.gz LRRKJORECNNJPC-NEPJUHHUSA-N 1 2 324.409 4.082 20 30 DIEDLO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC001125301763 1035851311 /nfs/dbraw/zinc/85/13/11/1035851311.db2.gz WVLCMDWXWCJBAJ-UHFFFAOYSA-N 1 2 313.376 4.086 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccc(F)c(F)c1 ZINC000187766288 1035899665 /nfs/dbraw/zinc/89/96/65/1035899665.db2.gz ZSWNRCDEABJRJN-QGZVFWFLSA-N 1 2 305.372 4.149 20 30 DIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926073602 1036841545 /nfs/dbraw/zinc/84/15/45/1036841545.db2.gz CVFHKSOIBAUTSD-HNNXBMFYSA-N 1 2 317.502 4.289 20 30 DIEDLO Cc1cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)ccc1C#N ZINC001210803154 1036993941 /nfs/dbraw/zinc/99/39/41/1036993941.db2.gz LZEZATQICCSFCJ-UHFFFAOYSA-N 1 2 324.384 4.352 20 30 DIEDLO C[C@@H](C#N)CNc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000581704195 1037929709 /nfs/dbraw/zinc/92/97/09/1037929709.db2.gz VQNNQTQPTXOUEK-AWEZNQCLSA-N 1 2 303.365 4.021 20 30 DIEDLO N#Cc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c(F)c1 ZINC000599020009 1038220175 /nfs/dbraw/zinc/22/01/75/1038220175.db2.gz LOEHCMYQWNICIA-UHFFFAOYSA-N 1 2 316.326 4.145 20 30 DIEDLO C[C@H]1C[C@H]1C[NH+](Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000603669563 1038264821 /nfs/dbraw/zinc/26/48/21/1038264821.db2.gz MWQIVWNNPKKJFF-KKSFZXQISA-N 1 2 315.420 4.088 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3ncc(-c4cccs4)o3)CC2)c1 ZINC000341934440 1038354907 /nfs/dbraw/zinc/35/49/07/1038354907.db2.gz IZIMDZRFEILGES-UHFFFAOYSA-N 1 2 321.405 4.054 20 30 DIEDLO CC(=[NH+]Nc1ccc(Br)cc1F)c1ccc(N)cc1 ZINC000728432800 1038471362 /nfs/dbraw/zinc/47/13/62/1038471362.db2.gz BPJSCPLFTJLFIO-UHFFFAOYSA-N 1 2 322.181 4.007 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cs1 ZINC000892160454 1038560977 /nfs/dbraw/zinc/56/09/77/1038560977.db2.gz CIRLOHPPIYJSGG-MRXNPFEDSA-N 1 2 323.421 4.488 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cs1 ZINC000892160454 1038560981 /nfs/dbraw/zinc/56/09/81/1038560981.db2.gz CIRLOHPPIYJSGG-MRXNPFEDSA-N 1 2 323.421 4.488 20 30 DIEDLO CC(C)(C)c1coc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000892246372 1038631532 /nfs/dbraw/zinc/63/15/32/1038631532.db2.gz QQWNJWJGJQLZMA-UHFFFAOYSA-N 1 2 321.424 4.133 20 30 DIEDLO CC(C)(C)c1coc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000892246372 1038631537 /nfs/dbraw/zinc/63/15/37/1038631537.db2.gz QQWNJWJGJQLZMA-UHFFFAOYSA-N 1 2 321.424 4.133 20 30 DIEDLO N#Cc1ccccc1CNc1ccc(C2(C(F)(F)F)CC2)c[nH+]1 ZINC001167633948 1039012745 /nfs/dbraw/zinc/01/27/45/1039012745.db2.gz CZYFELNSHJYBON-UHFFFAOYSA-N 1 2 317.314 4.159 20 30 DIEDLO CC[N@H+](Cc1c(F)cccc1F)[C@@H](C)c1cccc(C#N)c1 ZINC000442689788 1039122973 /nfs/dbraw/zinc/12/29/73/1039122973.db2.gz ULXBHYYOMHPRDW-ZDUSSCGKSA-N 1 2 300.352 4.420 20 30 DIEDLO CC[N@@H+](Cc1c(F)cccc1F)[C@@H](C)c1cccc(C#N)c1 ZINC000442689788 1039122980 /nfs/dbraw/zinc/12/29/80/1039122980.db2.gz ULXBHYYOMHPRDW-ZDUSSCGKSA-N 1 2 300.352 4.420 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2ccc(C#N)cc2Br)c1 ZINC000404472645 1039269470 /nfs/dbraw/zinc/26/94/70/1039269470.db2.gz DVHQMCSEGVBAHP-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1cccc(CCCNc2cc(C#N)ccc2C(F)(F)F)[nH+]1 ZINC000343232127 1039327629 /nfs/dbraw/zinc/32/76/29/1039327629.db2.gz BXMTYVOQYAOSBA-UHFFFAOYSA-N 1 2 319.330 4.325 20 30 DIEDLO Cc1cccc(CCCNc2ccc(C#N)c(C(F)(F)F)c2)[nH+]1 ZINC000343235270 1039331267 /nfs/dbraw/zinc/33/12/67/1039331267.db2.gz OXFQUIBWDDWWDE-UHFFFAOYSA-N 1 2 319.330 4.325 20 30 DIEDLO CCCCNc1[nH+]c2ccccc2n1Cc1ccc(F)cc1C#N ZINC000728569450 1039354867 /nfs/dbraw/zinc/35/48/67/1039354867.db2.gz SVIJINNJBJFLOG-UHFFFAOYSA-N 1 2 322.387 4.307 20 30 DIEDLO N#Cc1cc(Cl)ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000080948769 1039691172 /nfs/dbraw/zinc/69/11/72/1039691172.db2.gz OYRZUCHHAVEUBH-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO CC(C)(C)c1csc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000271744175 1039797002 /nfs/dbraw/zinc/79/70/02/1039797002.db2.gz DEHFXKUQUULZLA-UHFFFAOYSA-N 1 2 311.454 4.091 20 30 DIEDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000271925512 1039900512 /nfs/dbraw/zinc/90/05/12/1039900512.db2.gz GGVDWDNLNWHZKQ-WDEREUQCSA-N 1 2 303.406 4.128 20 30 DIEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000179734044 1040526660 /nfs/dbraw/zinc/52/66/60/1040526660.db2.gz OFSLSIRGDFOJGR-NSHDSACASA-N 1 2 313.451 4.422 20 30 DIEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000179734044 1040526672 /nfs/dbraw/zinc/52/66/72/1040526672.db2.gz OFSLSIRGDFOJGR-NSHDSACASA-N 1 2 313.451 4.422 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1Cl ZINC001140813131 1041056411 /nfs/dbraw/zinc/05/64/11/1041056411.db2.gz WQPOVVLVZAQFPS-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1Cl ZINC001140813131 1041056425 /nfs/dbraw/zinc/05/64/25/1041056425.db2.gz WQPOVVLVZAQFPS-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1F ZINC000809699553 1041217715 /nfs/dbraw/zinc/21/77/15/1041217715.db2.gz SVFAAISQEJSACB-GOSISDBHSA-N 1 2 316.807 4.009 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(Cl)cc1F ZINC000809698893 1041218068 /nfs/dbraw/zinc/21/80/68/1041218068.db2.gz ISWHFGVCVQZSFS-GOSISDBHSA-N 1 2 312.775 4.123 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccnc2ccccc12)c1ccc(Cl)cc1F ZINC000809700054 1041219969 /nfs/dbraw/zinc/21/99/69/1041219969.db2.gz WSAJWVNOIVQZPC-GOSISDBHSA-N 1 2 324.786 4.491 20 30 DIEDLO CCCc1cc(N[C@@H](C)c2cccc(C#N)c2)nc(CCC)[nH+]1 ZINC001167707262 1041270367 /nfs/dbraw/zinc/27/03/67/1041270367.db2.gz MIHKDSFSVQNLNT-AWEZNQCLSA-N 1 2 308.429 4.426 20 30 DIEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc2cc(Cl)ccc2o1 ZINC000810145985 1041321334 /nfs/dbraw/zinc/32/13/34/1041321334.db2.gz JXNHLUOTXBEUGC-SECBINFHSA-N 1 2 317.801 4.265 20 30 DIEDLO CCCCCCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132814648 1041519167 /nfs/dbraw/zinc/51/91/67/1041519167.db2.gz BMNZFFLFIMCRLG-SFHVURJKSA-N 1 2 313.445 4.101 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cnc(CC(C)C)s1)c1ccc(Cl)cc1 ZINC000811517318 1041528592 /nfs/dbraw/zinc/52/85/92/1041528592.db2.gz ODFCCAKSRVPTKL-INIZCTEOSA-N 1 2 318.873 4.459 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000811516292 1041534351 /nfs/dbraw/zinc/53/43/51/1041534351.db2.gz JCAZGWQVJIMNEY-OAHLLOKOSA-N 1 2 324.182 4.302 20 30 DIEDLO C=C(C)CN[NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000811650631 1041550208 /nfs/dbraw/zinc/55/02/08/1041550208.db2.gz IXFQGJVNKVZNPT-UHFFFAOYSA-N 1 2 306.822 4.040 20 30 DIEDLO CC(=[NH+]Nc1ccc(F)cc1Br)c1ccc(N)cc1 ZINC000812463251 1041625105 /nfs/dbraw/zinc/62/51/05/1041625105.db2.gz GHNRYVSVRVFPBR-UHFFFAOYSA-N 1 2 322.181 4.007 20 30 DIEDLO CC[C@H]([NH2+]C1CCC(OC(C)C)CC1)c1cccc(C#N)c1O ZINC000925611543 1041686383 /nfs/dbraw/zinc/68/63/83/1041686383.db2.gz MUXSLMYYTQMJAH-HTWSVDAQSA-N 1 2 316.445 4.041 20 30 DIEDLO CC(=[NH+]Nc1cccc2ncccc21)c1ccc(Cl)c(N)c1 ZINC000814804267 1041872330 /nfs/dbraw/zinc/87/23/30/1041872330.db2.gz HNLHLIURAUNIBT-UHFFFAOYSA-N 1 2 310.788 4.307 20 30 DIEDLO CC(=[NH+]Nc1ccc(C(F)(F)F)cc1)c1cc(N)ccc1F ZINC000814882196 1041888597 /nfs/dbraw/zinc/88/85/97/1041888597.db2.gz JLVKJFIHRMESDH-UHFFFAOYSA-N 1 2 311.282 4.263 20 30 DIEDLO CCC(=[NH+]Nc1ccc(Cl)c(OC)c1)c1cccc(N)c1 ZINC000814919233 1041893918 /nfs/dbraw/zinc/89/39/18/1041893918.db2.gz IYFKAHIXUASHMP-UHFFFAOYSA-N 1 2 303.793 4.157 20 30 DIEDLO COc1ccc2[nH+]c(C)cc(OCc3ccc(C#N)cc3F)c2c1 ZINC000217524480 1041952778 /nfs/dbraw/zinc/95/27/78/1041952778.db2.gz IVCOBDDJCYPBPU-UHFFFAOYSA-N 1 2 322.339 4.142 20 30 DIEDLO N#CCOc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC001212608778 1042093004 /nfs/dbraw/zinc/09/30/04/1042093004.db2.gz FCIUXDUMAJULSQ-UHFFFAOYSA-N 1 2 307.397 4.323 20 30 DIEDLO Cc1ccc(Cl)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1F ZINC001138034532 1042136836 /nfs/dbraw/zinc/13/68/36/1042136836.db2.gz JOBODEIJHWHZNX-UHFFFAOYSA-N 1 2 302.780 4.291 20 30 DIEDLO Cc1ccc(Cl)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1F ZINC001138034532 1042136840 /nfs/dbraw/zinc/13/68/40/1042136840.db2.gz JOBODEIJHWHZNX-UHFFFAOYSA-N 1 2 302.780 4.291 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](C)c1cc(OC)cc(OC)c1 ZINC001170928907 1042187987 /nfs/dbraw/zinc/18/79/87/1042187987.db2.gz AGUVWUURVUCIKB-AWEZNQCLSA-N 1 2 312.413 4.309 20 30 DIEDLO N#Cc1nc(Nc2ccc([NH+]3CCCCC3)cc2)sc1Cl ZINC000820598885 1042222984 /nfs/dbraw/zinc/22/29/84/1042222984.db2.gz LRHNNWGCLPWSIZ-UHFFFAOYSA-N 1 2 318.833 4.402 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(CC)o1 ZINC000348870373 1042299419 /nfs/dbraw/zinc/29/94/19/1042299419.db2.gz SNUAZFVASYRGPK-UHFFFAOYSA-N 1 2 301.434 4.198 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(CC)o1 ZINC000348870373 1042299424 /nfs/dbraw/zinc/29/94/24/1042299424.db2.gz SNUAZFVASYRGPK-UHFFFAOYSA-N 1 2 301.434 4.198 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1ccc(Cl)c(N)[nH+]1 ZINC001160183063 1042314766 /nfs/dbraw/zinc/31/47/66/1042314766.db2.gz UKIQISWWSOTZKH-NSHDSACASA-N 1 2 303.793 4.055 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000823618155 1042335592 /nfs/dbraw/zinc/33/55/92/1042335592.db2.gz OITFBZBOUWYFBN-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000823618155 1042335601 /nfs/dbraw/zinc/33/56/01/1042335601.db2.gz OITFBZBOUWYFBN-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1nc(C2CCCCC2)no1 ZINC000893977067 1042399878 /nfs/dbraw/zinc/39/98/78/1042399878.db2.gz UZMWFPKOIUCKTJ-QWHCGFSZSA-N 1 2 304.438 4.096 20 30 DIEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000614182410 1042424354 /nfs/dbraw/zinc/42/43/54/1042424354.db2.gz QDSIWFMNIYITBO-GXFFZTMASA-N 1 2 316.754 4.374 20 30 DIEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000614182410 1042424358 /nfs/dbraw/zinc/42/43/58/1042424358.db2.gz QDSIWFMNIYITBO-GXFFZTMASA-N 1 2 316.754 4.374 20 30 DIEDLO C=C1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000513465978 1042544862 /nfs/dbraw/zinc/54/48/62/1042544862.db2.gz AFAXJMZNSALIEU-QGZVFWFLSA-N 1 2 321.848 4.050 20 30 DIEDLO Cc1cc(CNc2ccc(C(F)(F)F)c(C#N)c2)cc(C)[nH+]1 ZINC000420653258 1042611056 /nfs/dbraw/zinc/61/10/56/1042611056.db2.gz NZPJKGIJNBHNNQ-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO Cc1cc(CNc2ccc(C(F)(F)F)cc2C#N)cc(C)[nH+]1 ZINC000420647177 1042611351 /nfs/dbraw/zinc/61/13/51/1042611351.db2.gz BVFHGYQWBXRAIQ-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO C=CCCc1ccccc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421122114 1042627270 /nfs/dbraw/zinc/62/72/70/1042627270.db2.gz OEFVKAOTOGHRNK-UHFFFAOYSA-N 1 2 309.413 4.139 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000425535371 1042838963 /nfs/dbraw/zinc/83/89/63/1042838963.db2.gz NIJBPNLNRBLWEJ-OAHLLOKOSA-N 1 2 308.429 4.063 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000425535371 1042838967 /nfs/dbraw/zinc/83/89/67/1042838967.db2.gz NIJBPNLNRBLWEJ-OAHLLOKOSA-N 1 2 308.429 4.063 20 30 DIEDLO CCCc1csc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000426030918 1042898855 /nfs/dbraw/zinc/89/88/55/1042898855.db2.gz VXWKJBULKRESIQ-UHFFFAOYSA-N 1 2 311.454 4.132 20 30 DIEDLO CCCc1csc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000426030918 1042898860 /nfs/dbraw/zinc/89/88/60/1042898860.db2.gz VXWKJBULKRESIQ-UHFFFAOYSA-N 1 2 311.454 4.132 20 30 DIEDLO Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(C#N)cn2)s1 ZINC000519577455 1042976682 /nfs/dbraw/zinc/97/66/82/1042976682.db2.gz IIISJLWHIGVWLE-UHFFFAOYSA-N 1 2 323.421 4.119 20 30 DIEDLO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(C#N)cn2)s1 ZINC000519577455 1042976687 /nfs/dbraw/zinc/97/66/87/1042976687.db2.gz IIISJLWHIGVWLE-UHFFFAOYSA-N 1 2 323.421 4.119 20 30 DIEDLO Cc1cc(C)c(NC(=O)[C@H]2CCC(=O)c3ccccc32)c(C)[nH+]1 ZINC000328856885 1043079666 /nfs/dbraw/zinc/07/96/66/1043079666.db2.gz XNHVTUFTQGRKCB-INIZCTEOSA-N 1 2 308.381 4.355 20 30 DIEDLO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866249834 1043165314 /nfs/dbraw/zinc/16/53/14/1043165314.db2.gz ONXHOUHQSWCDRB-ZIAGYGMSSA-N 1 2 310.397 4.074 20 30 DIEDLO C[C@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866364929 1043190167 /nfs/dbraw/zinc/19/01/67/1043190167.db2.gz SVJFDTLYVHSKLW-SGTLLEGYSA-N 1 2 310.372 4.131 20 30 DIEDLO C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1cccc(C#N)c1O ZINC000866397123 1043196077 /nfs/dbraw/zinc/19/60/77/1043196077.db2.gz CROFPNHAAJHTKN-NSHDSACASA-N 1 2 312.335 4.037 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)CCCO2 ZINC000866392927 1043196380 /nfs/dbraw/zinc/19/63/80/1043196380.db2.gz IDZOOSARMHRKOC-KBPBESRZSA-N 1 2 322.408 4.001 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@H+](CC)CCC#N)cc1OCC ZINC000349860527 1043529791 /nfs/dbraw/zinc/52/97/91/1043529791.db2.gz ILYXWBREEOQMIU-UHFFFAOYSA-N 1 2 324.852 4.263 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@@H+](CC)CCC#N)cc1OCC ZINC000349860527 1043529799 /nfs/dbraw/zinc/52/97/99/1043529799.db2.gz ILYXWBREEOQMIU-UHFFFAOYSA-N 1 2 324.852 4.263 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000876543209 1043693101 /nfs/dbraw/zinc/69/31/01/1043693101.db2.gz HVJVHAZNQINISF-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000876543209 1043693109 /nfs/dbraw/zinc/69/31/09/1043693109.db2.gz HVJVHAZNQINISF-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1c(C#N)cccc1[N+](=O)[O-] ZINC001649174473 1043717127 /nfs/dbraw/zinc/71/71/27/1043717127.db2.gz PVBCRWJTJNVIMR-UHFFFAOYSA-N 1 2 322.368 4.119 20 30 DIEDLO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(F)cc1F ZINC000877050393 1043738140 /nfs/dbraw/zinc/73/81/40/1043738140.db2.gz MLVSCGPNRSPFTQ-HNNXBMFYSA-N 1 2 321.758 4.126 20 30 DIEDLO C=CCC[C@H]([NH2+]c1ccc(N2CCO[C@H](C)C2)cc1)C1CC1 ZINC000777697312 1043765076 /nfs/dbraw/zinc/76/50/76/1043765076.db2.gz XWHQHOPVCVSDKI-BEFAXECRSA-N 1 2 300.446 4.068 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000930649590 1043950979 /nfs/dbraw/zinc/95/09/79/1043950979.db2.gz HUKKCQGKZDJWNZ-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000930649590 1043950987 /nfs/dbraw/zinc/95/09/87/1043950987.db2.gz HUKKCQGKZDJWNZ-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO CC(C)c1csc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358568024 1044084223 /nfs/dbraw/zinc/08/42/23/1044084223.db2.gz DPNHVBKKUUANII-NSHDSACASA-N 1 2 303.406 4.128 20 30 DIEDLO C=CCCC[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000882237845 1044160875 /nfs/dbraw/zinc/16/08/75/1044160875.db2.gz QJJZPRVWNGILCO-SJLPKXTDSA-N 1 2 311.429 4.048 20 30 DIEDLO C=CCCC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000882237846 1044160887 /nfs/dbraw/zinc/16/08/87/1044160887.db2.gz QJJZPRVWNGILCO-WMZOPIPTSA-N 1 2 311.429 4.048 20 30 DIEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000347153465 1044202936 /nfs/dbraw/zinc/20/29/36/1044202936.db2.gz ARIPJEBBZWBOGC-ACJLOTCBSA-N 1 2 311.816 4.190 20 30 DIEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000347153465 1044202955 /nfs/dbraw/zinc/20/29/55/1044202955.db2.gz ARIPJEBBZWBOGC-ACJLOTCBSA-N 1 2 311.816 4.190 20 30 DIEDLO C=CC[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)C1CC1 ZINC000360138245 1044238685 /nfs/dbraw/zinc/23/86/85/1044238685.db2.gz BNFGUGOEMKXHIE-UHFFFAOYSA-N 1 2 306.381 4.239 20 30 DIEDLO C=CC[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)C1CC1 ZINC000360138245 1044238696 /nfs/dbraw/zinc/23/86/96/1044238696.db2.gz BNFGUGOEMKXHIE-UHFFFAOYSA-N 1 2 306.381 4.239 20 30 DIEDLO C=CCCCCC[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000444591950 1044571792 /nfs/dbraw/zinc/57/17/92/1044571792.db2.gz DKGVZVLMRGVULL-UHFFFAOYSA-N 1 2 321.371 4.193 20 30 DIEDLO C=CCCCCC[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000444591950 1044571804 /nfs/dbraw/zinc/57/18/04/1044571804.db2.gz DKGVZVLMRGVULL-UHFFFAOYSA-N 1 2 321.371 4.193 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363113371 1044583757 /nfs/dbraw/zinc/58/37/57/1044583757.db2.gz DAOFRUGOKYDXFX-GFCCVEGCSA-N 1 2 312.866 4.105 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363113371 1044583773 /nfs/dbraw/zinc/58/37/73/1044583773.db2.gz DAOFRUGOKYDXFX-GFCCVEGCSA-N 1 2 312.866 4.105 20 30 DIEDLO N#CCCCC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066850982 1044642487 /nfs/dbraw/zinc/64/24/87/1044642487.db2.gz SOZHYVKZLTXGSN-HNNXBMFYSA-N 1 2 313.228 4.061 20 30 DIEDLO N#CCCCC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066850982 1044642497 /nfs/dbraw/zinc/64/24/97/1044642497.db2.gz SOZHYVKZLTXGSN-HNNXBMFYSA-N 1 2 313.228 4.061 20 30 DIEDLO C[C@H](c1ccco1)[N@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000088549472 1044658538 /nfs/dbraw/zinc/65/85/38/1044658538.db2.gz GGSPWDRTRLMQRP-CQSZACIVSA-N 1 2 305.381 4.130 20 30 DIEDLO C[C@H](c1ccco1)[N@@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000088549472 1044658547 /nfs/dbraw/zinc/65/85/47/1044658547.db2.gz GGSPWDRTRLMQRP-CQSZACIVSA-N 1 2 305.381 4.130 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000369000490 1044794108 /nfs/dbraw/zinc/79/41/08/1044794108.db2.gz IMYVBBHUJCUXDH-OAHLLOKOSA-N 1 2 316.449 4.194 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000369000490 1044794121 /nfs/dbraw/zinc/79/41/21/1044794121.db2.gz IMYVBBHUJCUXDH-OAHLLOKOSA-N 1 2 316.449 4.194 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000369000489 1044795112 /nfs/dbraw/zinc/79/51/12/1044795112.db2.gz IMYVBBHUJCUXDH-HNNXBMFYSA-N 1 2 316.449 4.194 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000369000489 1044795129 /nfs/dbraw/zinc/79/51/29/1044795129.db2.gz IMYVBBHUJCUXDH-HNNXBMFYSA-N 1 2 316.449 4.194 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000571945867 1044832919 /nfs/dbraw/zinc/83/29/19/1044832919.db2.gz YSOSVCZTPKKQMG-INIZCTEOSA-N 1 2 308.759 4.420 20 30 DIEDLO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)sc1C ZINC000336854490 1044850614 /nfs/dbraw/zinc/85/06/14/1044850614.db2.gz FBIUSRYOMSMVCK-IAGOWNOFSA-N 1 2 311.454 4.032 20 30 DIEDLO Cc1nc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)sc1C ZINC000336854490 1044850636 /nfs/dbraw/zinc/85/06/36/1044850636.db2.gz FBIUSRYOMSMVCK-IAGOWNOFSA-N 1 2 311.454 4.032 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000371784532 1044890771 /nfs/dbraw/zinc/89/07/71/1044890771.db2.gz AWOHNIMUKKUWGJ-AEFFLSMTSA-N 1 2 317.392 4.100 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000371784532 1044890789 /nfs/dbraw/zinc/89/07/89/1044890789.db2.gz AWOHNIMUKKUWGJ-AEFFLSMTSA-N 1 2 317.392 4.100 20 30 DIEDLO CCCCCCCCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000887651696 1044924151 /nfs/dbraw/zinc/92/41/51/1044924151.db2.gz XDXYSUUQZBCDAD-UHFFFAOYSA-N 1 2 317.477 4.049 20 30 DIEDLO N#CC1(CC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)CCCCC1 ZINC000411216991 1044985438 /nfs/dbraw/zinc/98/54/38/1044985438.db2.gz KTHDNAJSVICQCW-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)CCCCC1 ZINC000411216991 1044985450 /nfs/dbraw/zinc/98/54/50/1044985450.db2.gz KTHDNAJSVICQCW-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(C#N)CC1 ZINC000151591828 1045028653 /nfs/dbraw/zinc/02/86/53/1045028653.db2.gz ZFUCYEIDVWCPFF-GFCCVEGCSA-N 1 2 315.804 4.292 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)o1 ZINC000374285102 1045043490 /nfs/dbraw/zinc/04/34/90/1045043490.db2.gz XLXNDFFEXZAOIF-MRXNPFEDSA-N 1 2 307.353 4.020 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)o1 ZINC000374285102 1045043499 /nfs/dbraw/zinc/04/34/99/1045043499.db2.gz XLXNDFFEXZAOIF-MRXNPFEDSA-N 1 2 307.353 4.020 20 30 DIEDLO CC[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc(C#N)cc1 ZINC000447594466 1045155052 /nfs/dbraw/zinc/15/50/52/1045155052.db2.gz YZGVWELAKIFTSO-SFHVURJKSA-N 1 2 306.413 4.117 20 30 DIEDLO C[N@H+](Cc1cccs1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000017288016 1045239090 /nfs/dbraw/zinc/23/90/90/1045239090.db2.gz IVLIBNCLPMNKEU-MRXNPFEDSA-N 1 2 300.427 4.040 20 30 DIEDLO C[N@@H+](Cc1cccs1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000017288016 1045239102 /nfs/dbraw/zinc/23/91/02/1045239102.db2.gz IVLIBNCLPMNKEU-MRXNPFEDSA-N 1 2 300.427 4.040 20 30 DIEDLO C[N@H+](Cc1cc(F)cc(Cl)c1)Cc1cc(C#N)ccc1F ZINC000485715812 1045252073 /nfs/dbraw/zinc/25/20/73/1045252073.db2.gz JKHUGWXRAVPOSA-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cc(F)cc(Cl)c1)Cc1cc(C#N)ccc1F ZINC000485715812 1045252088 /nfs/dbraw/zinc/25/20/88/1045252088.db2.gz JKHUGWXRAVPOSA-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO Cc1cc(Cl)ccc1C1=CC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000528740443 1045407071 /nfs/dbraw/zinc/40/70/71/1045407071.db2.gz GEPUYFBSMUNZQH-HNNXBMFYSA-N 1 2 313.832 4.181 20 30 DIEDLO Cc1cc(Cl)ccc1C1=CC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000528740443 1045407075 /nfs/dbraw/zinc/40/70/75/1045407075.db2.gz GEPUYFBSMUNZQH-HNNXBMFYSA-N 1 2 313.832 4.181 20 30 DIEDLO CCCC[C@@H](CC)COCCCNc1ccc(CC#N)c[nH+]1 ZINC001168110898 1045417584 /nfs/dbraw/zinc/41/75/84/1045417584.db2.gz CAMDAUZFTWFSIF-MRXNPFEDSA-N 1 2 303.450 4.183 20 30 DIEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000449735754 1045433204 /nfs/dbraw/zinc/43/32/04/1045433204.db2.gz UVCJCAWVJHDBOE-INIZCTEOSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000449735754 1045433207 /nfs/dbraw/zinc/43/32/07/1045433207.db2.gz UVCJCAWVJHDBOE-INIZCTEOSA-N 1 2 304.365 4.235 20 30 DIEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450575624 1045520845 /nfs/dbraw/zinc/52/08/45/1045520845.db2.gz KKZGGTSCDLPAOR-SFHVURJKSA-N 1 2 322.456 4.448 20 30 DIEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450575624 1045520858 /nfs/dbraw/zinc/52/08/58/1045520858.db2.gz KKZGGTSCDLPAOR-SFHVURJKSA-N 1 2 322.456 4.448 20 30 DIEDLO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451021349 1045608519 /nfs/dbraw/zinc/60/85/19/1045608519.db2.gz PJPKJKSSOXIGDO-OAHLLOKOSA-N 1 2 316.836 4.293 20 30 DIEDLO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451021349 1045608524 /nfs/dbraw/zinc/60/85/24/1045608524.db2.gz PJPKJKSSOXIGDO-OAHLLOKOSA-N 1 2 316.836 4.293 20 30 DIEDLO Cc1cccn2c(/C=C3/C[C@H](C)c4ccccc4C3=O)c[nH+]c12 ZINC000751534813 1045612210 /nfs/dbraw/zinc/61/22/10/1045612210.db2.gz FJHSEKYGCHAPPT-XFNCEPBJSA-N 1 2 302.377 4.416 20 30 DIEDLO Cc1[nH]c(/C=C2/CCSc3ccc(Cl)cc3C2=O)[nH+]c1C ZINC000901481824 1045744377 /nfs/dbraw/zinc/74/43/77/1045744377.db2.gz ZMIRQRREUKIKSZ-XFFZJAGNSA-N 1 2 318.829 4.442 20 30 DIEDLO CC(=[NH+]Nc1ccc(C)cn1)c1cc(Cl)c(N)c(Cl)c1 ZINC000754706850 1045914436 /nfs/dbraw/zinc/91/44/36/1045914436.db2.gz SADBQWYUKHMKON-UHFFFAOYSA-N 1 2 309.200 4.115 20 30 DIEDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2F)c(C#N)c1 ZINC001137703346 1045939625 /nfs/dbraw/zinc/93/96/25/1045939625.db2.gz KFZKEYYOQPZMCJ-IBGZPJMESA-N 1 2 310.372 4.043 20 30 DIEDLO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2F)c(C#N)c1 ZINC001137703346 1045939643 /nfs/dbraw/zinc/93/96/43/1045939643.db2.gz KFZKEYYOQPZMCJ-IBGZPJMESA-N 1 2 310.372 4.043 20 30 DIEDLO Cc1[nH]c[nH+]c1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000755465247 1045990571 /nfs/dbraw/zinc/99/05/71/1045990571.db2.gz GAGPBRPAUHXFKC-UHFFFAOYSA-N 1 2 303.580 4.124 20 30 DIEDLO Fc1c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cccc1C(F)(F)F ZINC001138010997 1046054263 /nfs/dbraw/zinc/05/42/63/1046054263.db2.gz JIIIORVCGUPDOD-VIFPVBQESA-N 1 2 315.232 4.229 20 30 DIEDLO Fc1c(C[N@H+]2CC[C@H](C(F)(F)F)C2)cccc1C(F)(F)F ZINC001138010997 1046054277 /nfs/dbraw/zinc/05/42/77/1046054277.db2.gz JIIIORVCGUPDOD-VIFPVBQESA-N 1 2 315.232 4.229 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc2ncccc2c1 ZINC001138104519 1046094093 /nfs/dbraw/zinc/09/40/93/1046094093.db2.gz ZWOTVXOAKKSHOB-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc2ncccc2c1 ZINC001138104519 1046094109 /nfs/dbraw/zinc/09/41/09/1046094109.db2.gz ZWOTVXOAKKSHOB-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1cc(C#N)ccn1 ZINC000902874422 1046098533 /nfs/dbraw/zinc/09/85/33/1046098533.db2.gz FQBKFHULBRKAIC-QWRGUYRKSA-N 1 2 303.768 4.158 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001138250548 1046126793 /nfs/dbraw/zinc/12/67/93/1046126793.db2.gz GMJBNPRZXHMPBX-GOSISDBHSA-N 1 2 324.399 4.140 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001138250548 1046126801 /nfs/dbraw/zinc/12/68/01/1046126801.db2.gz GMJBNPRZXHMPBX-GOSISDBHSA-N 1 2 324.399 4.140 20 30 DIEDLO C=CCCc1ccccc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635896934 1046208325 /nfs/dbraw/zinc/20/83/25/1046208325.db2.gz MBHFKLPLDJQBAK-GOSISDBHSA-N 1 2 311.429 4.228 20 30 DIEDLO N#Cc1csc(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)n1 ZINC000903263296 1046214090 /nfs/dbraw/zinc/21/40/90/1046214090.db2.gz LLDKEFKNYYSDQV-LBPRGKRZSA-N 1 2 324.236 4.099 20 30 DIEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2ccc(OC)cc2C1 ZINC001138665530 1046259981 /nfs/dbraw/zinc/25/99/81/1046259981.db2.gz OPMQDFKPYBDTEC-UHFFFAOYSA-N 1 2 309.409 4.166 20 30 DIEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2ccc(OC)cc2C1 ZINC001138665530 1046259993 /nfs/dbraw/zinc/25/99/93/1046259993.db2.gz OPMQDFKPYBDTEC-UHFFFAOYSA-N 1 2 309.409 4.166 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(F)c(F)c1 ZINC000639057747 1046354665 /nfs/dbraw/zinc/35/46/65/1046354665.db2.gz DXYVDJKVLJWQMN-IAGOWNOFSA-N 1 2 317.383 4.056 20 30 DIEDLO CC(=[NH+]Nc1cccc(C)c1)c1ccc(N2CCCC2)cc1O ZINC000748246339 1046358800 /nfs/dbraw/zinc/35/88/00/1046358800.db2.gz MRPANXBWPHNLRR-UHFFFAOYSA-N 1 2 309.413 4.137 20 30 DIEDLO C=CCOc1ccccc1C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001139030396 1046363347 /nfs/dbraw/zinc/36/33/47/1046363347.db2.gz GCKUETXFKWPETB-FXAWDEMLSA-N 1 2 323.436 4.213 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001139030396 1046363363 /nfs/dbraw/zinc/36/33/63/1046363363.db2.gz GCKUETXFKWPETB-FXAWDEMLSA-N 1 2 323.436 4.213 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(OC(C)C)cc3)n21 ZINC000748997270 1046421678 /nfs/dbraw/zinc/42/16/78/1046421678.db2.gz CGGBIWXZRUXDTE-XFXZXTDPSA-N 1 2 320.392 4.326 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(OC(C)C)cc3)n21 ZINC000748997268 1046422257 /nfs/dbraw/zinc/42/22/57/1046422257.db2.gz CGGBIWXZRUXDTE-FMIVXFBMSA-N 1 2 320.392 4.326 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc2cc(O)ccc2c1 ZINC000749001681 1046423823 /nfs/dbraw/zinc/42/38/23/1046423823.db2.gz IFLSGUTXIARUKP-VQHVLOKHSA-N 1 2 314.344 4.089 20 30 DIEDLO CC(=[NH+]Nc1ccnc(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000781126639 1046424879 /nfs/dbraw/zinc/42/48/79/1046424879.db2.gz DOYZBLFYKXUKSO-UHFFFAOYSA-N 1 2 312.392 4.047 20 30 DIEDLO Cc1c(C[N@H+](CCC#N)C2CCCCCCC2)nc2ccccn12 ZINC001137272147 1046447941 /nfs/dbraw/zinc/44/79/41/1046447941.db2.gz JRAJZYFFXAYOBT-UHFFFAOYSA-N 1 2 324.472 4.471 20 30 DIEDLO Cc1c(C[N@@H+](CCC#N)C2CCCCCCC2)nc2ccccn12 ZINC001137272147 1046447944 /nfs/dbraw/zinc/44/79/44/1046447944.db2.gz JRAJZYFFXAYOBT-UHFFFAOYSA-N 1 2 324.472 4.471 20 30 DIEDLO Cc1c(CN(CCC#N)C2CCCCCCC2)[nH+]c2ccccn12 ZINC001137272147 1046447947 /nfs/dbraw/zinc/44/79/47/1046447947.db2.gz JRAJZYFFXAYOBT-UHFFFAOYSA-N 1 2 324.472 4.471 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1F ZINC001139530509 1046464859 /nfs/dbraw/zinc/46/48/59/1046464859.db2.gz NFCLSFQWEPYBEX-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1F ZINC001139530509 1046464862 /nfs/dbraw/zinc/46/48/62/1046464862.db2.gz NFCLSFQWEPYBEX-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)cc1F ZINC001139530241 1046465325 /nfs/dbraw/zinc/46/53/25/1046465325.db2.gz AKIDMZBUOCQTMU-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)cc1F ZINC001139530241 1046465335 /nfs/dbraw/zinc/46/53/35/1046465335.db2.gz AKIDMZBUOCQTMU-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO C[N@H+](Cc1cccc(Cl)c1)Cc1cccc(Cl)c1C#N ZINC001139690541 1046499603 /nfs/dbraw/zinc/49/96/03/1046499603.db2.gz CVELKEVDYMVWHO-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO C[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(Cl)c1C#N ZINC001139690541 1046499610 /nfs/dbraw/zinc/49/96/10/1046499610.db2.gz CVELKEVDYMVWHO-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO CC[N@H+](Cc1cccc(F)c1)Cc1cccc(Cl)c1C#N ZINC001139694018 1046501805 /nfs/dbraw/zinc/50/18/05/1046501805.db2.gz YXYGFFRSXHXMMI-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC[N@@H+](Cc1cccc(F)c1)Cc1cccc(Cl)c1C#N ZINC001139694018 1046501807 /nfs/dbraw/zinc/50/18/07/1046501807.db2.gz YXYGFFRSXHXMMI-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO N#Cc1cccc2c(C[N@H+]3Cc4ccc(Cl)cc4C3)c[nH]c21 ZINC001139705963 1046502765 /nfs/dbraw/zinc/50/27/65/1046502765.db2.gz HZVLDUFKXKVPOX-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO N#Cc1cccc2c(C[N@@H+]3Cc4ccc(Cl)cc4C3)c[nH]c21 ZINC001139705963 1046502772 /nfs/dbraw/zinc/50/27/72/1046502772.db2.gz HZVLDUFKXKVPOX-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO CCCCCCC[S@@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000782213686 1046505268 /nfs/dbraw/zinc/50/52/68/1046505268.db2.gz RUHCDFUZETXXNN-JOCHJYFZSA-N 1 2 318.486 4.151 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c(F)c1 ZINC001140141364 1046599287 /nfs/dbraw/zinc/59/92/87/1046599287.db2.gz UMPDVPZNDYGUOP-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c(F)c1 ZINC001140141364 1046599296 /nfs/dbraw/zinc/59/92/96/1046599296.db2.gz UMPDVPZNDYGUOP-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#CCC[N@@H+](Cc1c[nH]c2ccc(F)cc12)Cc1ccccc1 ZINC001137333903 1046619949 /nfs/dbraw/zinc/61/99/49/1046619949.db2.gz YIDHFNXDZLHHHO-UHFFFAOYSA-N 1 2 307.372 4.223 20 30 DIEDLO N#CCC[N@H+](Cc1c[nH]c2ccc(F)cc12)Cc1ccccc1 ZINC001137333903 1046619952 /nfs/dbraw/zinc/61/99/52/1046619952.db2.gz YIDHFNXDZLHHHO-UHFFFAOYSA-N 1 2 307.372 4.223 20 30 DIEDLO Cc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c(C)c1 ZINC000783699637 1046623800 /nfs/dbraw/zinc/62/38/00/1046623800.db2.gz DXYXRVKOWDAIHD-XQRVVYSFSA-N 1 2 308.406 4.447 20 30 DIEDLO O=C1c2ccccc2SC/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783699361 1046623983 /nfs/dbraw/zinc/62/39/83/1046623983.db2.gz CIGVLMLNDJIZQB-KPKJPENVSA-N 1 2 324.430 4.306 20 30 DIEDLO Cc1cccc2c1C/C(=C\c1cc(-n3cc[nH+]c3)cs1)C2=O ZINC000783706597 1046624968 /nfs/dbraw/zinc/62/49/68/1046624968.db2.gz JBXCNUKRIGAMGT-NTUHNPAUSA-N 1 2 306.390 4.065 20 30 DIEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1cc(-n3cc[nH+]c3)cs1)C2 ZINC000783706045 1046625048 /nfs/dbraw/zinc/62/50/48/1046625048.db2.gz GITLLMZESOMSJQ-ZSOIEALJSA-N 1 2 306.390 4.065 20 30 DIEDLO Cc1cc(F)ccc1C(=O)/C=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783706435 1046625388 /nfs/dbraw/zinc/62/53/88/1046625388.db2.gz HFNFNADWFLVPEV-HYXAFXHYSA-N 1 2 312.369 4.277 20 30 DIEDLO CC1(C)c2ccccc2C(=O)/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783708238 1046626050 /nfs/dbraw/zinc/62/60/50/1046626050.db2.gz OSBGTTFDDJGFNF-YVLHZVERSA-N 1 2 320.417 4.491 20 30 DIEDLO Fc1c(Cl)cccc1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783836805 1046635568 /nfs/dbraw/zinc/63/55/68/1046635568.db2.gz BKHNXCNCADBLLI-UHFFFAOYSA-N 1 2 320.780 4.172 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(-c2ccccc2)nc1 ZINC000532988755 1046635879 /nfs/dbraw/zinc/63/58/79/1046635879.db2.gz XOQIARUMMRKHLF-UHFFFAOYSA-N 1 2 322.456 4.295 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(-c2ccccc2)nc1 ZINC000532988755 1046635884 /nfs/dbraw/zinc/63/58/84/1046635884.db2.gz XOQIARUMMRKHLF-UHFFFAOYSA-N 1 2 322.456 4.295 20 30 DIEDLO Fc1cc(NN=Cc2cc(-n3cc[nH+]c3)cs2)ccc1Cl ZINC000783848493 1046637476 /nfs/dbraw/zinc/63/74/76/1046637476.db2.gz HNHQBBLBJOPWDA-UHFFFAOYSA-N 1 2 320.780 4.172 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)C1 ZINC001140566842 1046784607 /nfs/dbraw/zinc/78/46/07/1046784607.db2.gz TTXNQKBIDOEXAT-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)C1 ZINC001140566842 1046784616 /nfs/dbraw/zinc/78/46/16/1046784616.db2.gz TTXNQKBIDOEXAT-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO C=CC[N@@H+](Cc1cc(C)nc(Cl)c1)Cc1ccccc1F ZINC000797590389 1046857986 /nfs/dbraw/zinc/85/79/86/1046857986.db2.gz YRJDTSNUYLHBIX-UHFFFAOYSA-N 1 2 304.796 4.371 20 30 DIEDLO C=CC[N@H+](Cc1cc(C)nc(Cl)c1)Cc1ccccc1F ZINC000797590389 1046858011 /nfs/dbraw/zinc/85/80/11/1046858011.db2.gz YRJDTSNUYLHBIX-UHFFFAOYSA-N 1 2 304.796 4.371 20 30 DIEDLO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000798936898 1046990161 /nfs/dbraw/zinc/99/01/61/1046990161.db2.gz MGKCWIDQFXVRQP-ONGXEEELSA-N 1 2 316.214 4.299 20 30 DIEDLO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2C#N)c1 ZINC001141166410 1047034830 /nfs/dbraw/zinc/03/48/30/1047034830.db2.gz MLZUGERGJUHCRL-FQEVSTJZSA-N 1 2 324.399 4.433 20 30 DIEDLO COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2C#N)c1 ZINC001141166410 1047034845 /nfs/dbraw/zinc/03/48/45/1047034845.db2.gz MLZUGERGJUHCRL-FQEVSTJZSA-N 1 2 324.399 4.433 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000827651038 1047145001 /nfs/dbraw/zinc/14/50/01/1047145001.db2.gz YMIKCAIINALMGS-ZDUSSCGKSA-N 1 2 300.349 4.034 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000827651038 1047145011 /nfs/dbraw/zinc/14/50/11/1047145011.db2.gz YMIKCAIINALMGS-ZDUSSCGKSA-N 1 2 300.349 4.034 20 30 DIEDLO C=CC[N@H+](Cc1c(F)cccc1Br)C(C)(C)C ZINC001137468686 1047150733 /nfs/dbraw/zinc/15/07/33/1047150733.db2.gz BXYYSBFDBKJIJT-UHFFFAOYSA-N 1 2 300.215 4.375 20 30 DIEDLO C=CC[N@@H+](Cc1c(F)cccc1Br)C(C)(C)C ZINC001137468686 1047150737 /nfs/dbraw/zinc/15/07/37/1047150737.db2.gz BXYYSBFDBKJIJT-UHFFFAOYSA-N 1 2 300.215 4.375 20 30 DIEDLO Cc1cc(NCc2ccc(C#N)s2)[nH+]c(C)c1Br ZINC001116522747 1047151183 /nfs/dbraw/zinc/15/11/83/1047151183.db2.gz BWHASOIORFSJPC-UHFFFAOYSA-N 1 2 322.231 4.006 20 30 DIEDLO C[N@H+](Cc1cnc(C2CCCC2)s1)Cc1cc(C#N)cs1 ZINC000897626204 1047249096 /nfs/dbraw/zinc/24/90/96/1047249096.db2.gz VMJKQVBWAMKSBD-UHFFFAOYSA-N 1 2 317.483 4.366 20 30 DIEDLO C[N@@H+](Cc1cnc(C2CCCC2)s1)Cc1cc(C#N)cs1 ZINC000897626204 1047249115 /nfs/dbraw/zinc/24/91/15/1047249115.db2.gz VMJKQVBWAMKSBD-UHFFFAOYSA-N 1 2 317.483 4.366 20 30 DIEDLO N#CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc2n[nH]cc21 ZINC001143096612 1047531520 /nfs/dbraw/zinc/53/15/20/1047531520.db2.gz CCXDOJWDVOVNGK-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cccc2n[nH]cc21 ZINC001143096612 1047531524 /nfs/dbraw/zinc/53/15/24/1047531524.db2.gz CCXDOJWDVOVNGK-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO CCCn1nc(C)c(C[N@H+](CCC#N)CC(CC)CC)c1C ZINC000093100976 1047542302 /nfs/dbraw/zinc/54/23/02/1047542302.db2.gz FSLSFVOCNRJTLC-UHFFFAOYSA-N 1 2 304.482 4.062 20 30 DIEDLO CCCn1nc(C)c(C[N@@H+](CCC#N)CC(CC)CC)c1C ZINC000093100976 1047542306 /nfs/dbraw/zinc/54/23/06/1047542306.db2.gz FSLSFVOCNRJTLC-UHFFFAOYSA-N 1 2 304.482 4.062 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@H+](C)[C@@H](C)CC#N)cc1OCC ZINC000093090996 1047543653 /nfs/dbraw/zinc/54/36/53/1047543653.db2.gz WITCHOSITXJEGU-ZDUSSCGKSA-N 1 2 324.852 4.261 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H](C)CC#N)cc1OCC ZINC000093090996 1047543657 /nfs/dbraw/zinc/54/36/57/1047543657.db2.gz WITCHOSITXJEGU-ZDUSSCGKSA-N 1 2 324.852 4.261 20 30 DIEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1c(F)cccc1Cl ZINC000538279620 1047666266 /nfs/dbraw/zinc/66/62/66/1047666266.db2.gz OFMQAQGSPBCXRX-JTQLQIEISA-N 1 2 306.743 4.341 20 30 DIEDLO CCN(CC)c1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c[nH+]1 ZINC000538558903 1047688556 /nfs/dbraw/zinc/68/85/56/1047688556.db2.gz MPAHXIDPAGSJOS-ZDUSSCGKSA-N 1 2 312.392 4.112 20 30 DIEDLO CC(C)c1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)nc1 ZINC001155850679 1047689700 /nfs/dbraw/zinc/68/97/00/1047689700.db2.gz QRSCZNPEYBNDRL-UHFFFAOYSA-N 1 2 307.319 4.261 20 30 DIEDLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000538638596 1047693856 /nfs/dbraw/zinc/69/38/56/1047693856.db2.gz ZVPNKEZWJNMGED-AWEZNQCLSA-N 1 2 324.403 4.256 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(NCCSCc3ccco3)c2c1 ZINC001156190275 1047704662 /nfs/dbraw/zinc/70/46/62/1047704662.db2.gz AHWAUOJFLGPRQO-UHFFFAOYSA-N 1 2 309.394 4.045 20 30 DIEDLO Cc1cc(N2CCC(c3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001156766420 1047721669 /nfs/dbraw/zinc/72/16/69/1047721669.db2.gz YFMXFQLEYNGVJN-UHFFFAOYSA-N 1 2 320.440 4.164 20 30 DIEDLO CSCc1cc[nH+]c(N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001156765708 1047722075 /nfs/dbraw/zinc/72/20/75/1047722075.db2.gz FHXCVQVHOODGJA-UHFFFAOYSA-N 1 2 323.465 4.200 20 30 DIEDLO Cc1nc(NCc2ccccc2C#N)cc(C2CCCCC2)[nH+]1 ZINC001156786587 1047722571 /nfs/dbraw/zinc/72/25/71/1047722571.db2.gz HGDGLPANYDPRFA-UHFFFAOYSA-N 1 2 306.413 4.317 20 30 DIEDLO COc1ccc2[nH+]c(NCc3ccccc3C#N)c(C)cc2c1 ZINC001156784784 1047722974 /nfs/dbraw/zinc/72/29/74/1047722974.db2.gz ZFLNSMNKBUCYDB-UHFFFAOYSA-N 1 2 303.365 4.036 20 30 DIEDLO Cc1ccc(Nc2cc(C#N)ccc2Br)c(C)[nH+]1 ZINC001203380637 1047792376 /nfs/dbraw/zinc/79/23/76/1047792376.db2.gz LGXQDFVVWUVUCT-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO O=C1c2ccc(Cl)cc2OCC/C1=C\c1cccc2[nH+]ccn21 ZINC000774559033 1047862508 /nfs/dbraw/zinc/86/25/08/1047862508.db2.gz OVSQVWPINMPGEM-ZRDIBKRKSA-N 1 2 324.767 4.037 20 30 DIEDLO CC(C)(C)n1cc(C#N)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523463 1047885960 /nfs/dbraw/zinc/88/59/60/1047885960.db2.gz OWGXCQMFEUOPCC-UHFFFAOYSA-N 1 2 323.444 4.244 20 30 DIEDLO C[C@H](C#N)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174524175 1047887907 /nfs/dbraw/zinc/88/79/07/1047887907.db2.gz HKEVGYHJVBZJBJ-OAHLLOKOSA-N 1 2 306.413 4.443 20 30 DIEDLO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1cc(Cl)cc(Cl)c1F ZINC001183740341 1047963669 /nfs/dbraw/zinc/96/36/69/1047963669.db2.gz NBUGYTARRUATRH-VIFPVBQESA-N 1 2 324.186 4.250 20 30 DIEDLO CC(C)(C)c1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)nc1 ZINC001160026742 1047972432 /nfs/dbraw/zinc/97/24/32/1047972432.db2.gz ZDPOZLDSKZKURO-UHFFFAOYSA-N 1 2 319.408 4.275 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1nc(C)[nH+]c2c1CCC2 ZINC001160182377 1047990595 /nfs/dbraw/zinc/99/05/95/1047990595.db2.gz AXGLMFHLZZAYIQ-ZDUSSCGKSA-N 1 2 309.413 4.012 20 30 DIEDLO CCCCCCCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000104984165 1048057721 /nfs/dbraw/zinc/05/77/21/1048057721.db2.gz YQCLWNDEBOILLT-UHFFFAOYSA-N 1 2 323.506 4.428 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554305161 1048060549 /nfs/dbraw/zinc/06/05/49/1048060549.db2.gz IYMIZXYJDSHXSL-INIZCTEOSA-N 1 2 315.420 4.480 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554305161 1048060562 /nfs/dbraw/zinc/06/05/62/1048060562.db2.gz IYMIZXYJDSHXSL-INIZCTEOSA-N 1 2 315.420 4.480 20 30 DIEDLO N#CCc1cc[nH+]c(N[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)c1 ZINC001160509586 1048063924 /nfs/dbraw/zinc/06/39/24/1048063924.db2.gz WIZKIYFGEWYRCD-HNJRGHQBSA-N 1 2 303.409 4.142 20 30 DIEDLO CCCCCCC[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000775972865 1048068660 /nfs/dbraw/zinc/06/86/60/1048068660.db2.gz YUAGSJYVRFHMSC-RDJZCZTQSA-N 1 2 300.450 4.233 20 30 DIEDLO N#Cc1c(Cl)c(Cl)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213033452 1048135985 /nfs/dbraw/zinc/13/59/85/1048135985.db2.gz HNEWHRMKZHOUEO-UHFFFAOYSA-N 1 2 303.152 4.485 20 30 DIEDLO N#CCc1cc[nH+]c(NC2(CC3CC3)CCC(F)(F)CC2)c1 ZINC001161898215 1048190415 /nfs/dbraw/zinc/19/04/15/1048190415.db2.gz SNXHXTRJWQITMG-UHFFFAOYSA-N 1 2 305.372 4.308 20 30 DIEDLO N#CCc1cc[nH+]c(NCC2c3ccccc3-c3ccccc32)c1 ZINC001162556375 1048303756 /nfs/dbraw/zinc/30/37/56/1048303756.db2.gz ZPPIORKZEJFXJO-UHFFFAOYSA-N 1 2 311.388 4.372 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1csc(C(F)(F)F)c1 ZINC000899390583 1048325506 /nfs/dbraw/zinc/32/55/06/1048325506.db2.gz CBZNFTUJZIWPSC-ARJAWSKDSA-N 1 2 314.332 4.440 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1csc(C(F)(F)F)c1 ZINC000899390585 1048325626 /nfs/dbraw/zinc/32/56/26/1048325626.db2.gz CBZNFTUJZIWPSC-ONEGZZNKSA-N 1 2 314.332 4.440 20 30 DIEDLO CC(C)(C)C(=[NH2+])Nc1c(Cl)nc(Cl)c(C#N)c1Cl ZINC001162661116 1048330872 /nfs/dbraw/zinc/33/08/72/1048330872.db2.gz AHPJRENXIDKCBP-UHFFFAOYSA-N 1 2 305.596 4.349 20 30 DIEDLO C=C(C)C[N@@H+](C)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000481229398 1048336521 /nfs/dbraw/zinc/33/65/21/1048336521.db2.gz OBMQILUGEKXEPR-UHFFFAOYSA-N 1 2 306.862 4.395 20 30 DIEDLO C=C(C)C[N@H+](C)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000481229398 1048336534 /nfs/dbraw/zinc/33/65/34/1048336534.db2.gz OBMQILUGEKXEPR-UHFFFAOYSA-N 1 2 306.862 4.395 20 30 DIEDLO CCN(C)c1ccc(Nc2ccc(C(F)(F)F)cc2C#N)c[nH+]1 ZINC001201690824 1048358123 /nfs/dbraw/zinc/35/81/23/1048358123.db2.gz BLZNCEXSSSBPNV-UHFFFAOYSA-N 1 2 320.318 4.172 20 30 DIEDLO N#Cc1cc(Cl)cc(C[NH2+][C@H](CF)c2ccc(F)cc2)c1 ZINC001175561851 1048371045 /nfs/dbraw/zinc/37/10/45/1048371045.db2.gz ZDLMBECXXMZJFQ-MRXNPFEDSA-N 1 2 306.743 4.151 20 30 DIEDLO C[C@H](C#N)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175717903 1048423488 /nfs/dbraw/zinc/42/34/88/1048423488.db2.gz WUUHPGNJEYXNKW-SECBINFHSA-N 1 2 306.291 4.053 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)c(F)c1 ZINC000481564430 1048430733 /nfs/dbraw/zinc/43/07/33/1048430733.db2.gz DFXWRXIPMICQCF-SFHVURJKSA-N 1 2 316.326 4.383 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000776253306 1048467570 /nfs/dbraw/zinc/46/75/70/1048467570.db2.gz VHQCNJLJOHRDBX-MRXNPFEDSA-N 1 2 303.764 4.039 20 30 DIEDLO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cc(CC#N)cc[nH+]1 ZINC001163487256 1048477128 /nfs/dbraw/zinc/47/71/28/1048477128.db2.gz NLPORAFTGIHGPC-IBGZPJMESA-N 1 2 321.424 4.206 20 30 DIEDLO CC(C)(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC001165752908 1048714551 /nfs/dbraw/zinc/71/45/51/1048714551.db2.gz MUTOEAHJQZKTLC-UHFFFAOYSA-N 1 2 316.408 4.150 20 30 DIEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCC1SCCS1 ZINC000852999302 1048866399 /nfs/dbraw/zinc/86/63/99/1048866399.db2.gz YZYLCAFCAVAPFM-GZTJUZNOSA-N 1 2 303.452 4.161 20 30 DIEDLO Cc1ccc(Nc2ccc(N3CCCCC3)c(C#N)c2)c(C)[nH+]1 ZINC001203374327 1048885855 /nfs/dbraw/zinc/88/58/55/1048885855.db2.gz HOZRVNLABGPQPR-UHFFFAOYSA-N 1 2 306.413 4.304 20 30 DIEDLO N#CCc1ccc(C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000484306362 1048920570 /nfs/dbraw/zinc/92/05/70/1048920570.db2.gz GNEDMNHOELEVNX-UHFFFAOYSA-N 1 2 312.363 4.195 20 30 DIEDLO N#CCc1ccc(C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000484306362 1048920582 /nfs/dbraw/zinc/92/05/82/1048920582.db2.gz GNEDMNHOELEVNX-UHFFFAOYSA-N 1 2 312.363 4.195 20 30 DIEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1C(F)(F)F ZINC000484348731 1048928360 /nfs/dbraw/zinc/92/83/60/1048928360.db2.gz GEATUPYEVHJWRU-CQSZACIVSA-N 1 2 314.326 4.108 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1C(F)(F)F ZINC000484348731 1048928372 /nfs/dbraw/zinc/92/83/72/1048928372.db2.gz GEATUPYEVHJWRU-CQSZACIVSA-N 1 2 314.326 4.108 20 30 DIEDLO COc1ccc(C[N@H+](CCC#N)Cc2ccccc2)c(C)c1C ZINC001203713753 1048973324 /nfs/dbraw/zinc/97/33/24/1048973324.db2.gz WTHBJCCMWFGPSK-UHFFFAOYSA-N 1 2 308.425 4.228 20 30 DIEDLO COc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)c(C)c1C ZINC001203713753 1048973335 /nfs/dbraw/zinc/97/33/35/1048973335.db2.gz WTHBJCCMWFGPSK-UHFFFAOYSA-N 1 2 308.425 4.228 20 30 DIEDLO COc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)cc1C#N ZINC001203718816 1048976536 /nfs/dbraw/zinc/97/65/36/1048976536.db2.gz BVCPBXAHPGUOAF-UHFFFAOYSA-N 1 2 307.397 4.301 20 30 DIEDLO N#Cc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)cc1C#N ZINC001203719820 1048978353 /nfs/dbraw/zinc/97/83/53/1048978353.db2.gz UIUDRUHNYQGONP-UHFFFAOYSA-N 1 2 302.381 4.164 20 30 DIEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000484599978 1048985251 /nfs/dbraw/zinc/98/52/51/1048985251.db2.gz ZBQQUEQPEABOSB-UHFFFAOYSA-N 1 2 316.470 4.007 20 30 DIEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000484599978 1048985261 /nfs/dbraw/zinc/98/52/61/1048985261.db2.gz ZBQQUEQPEABOSB-UHFFFAOYSA-N 1 2 316.470 4.007 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(-c2ccccc2)no1 ZINC000484905663 1049073552 /nfs/dbraw/zinc/07/35/52/1049073552.db2.gz CVZAMXNGJGFZQO-UHFFFAOYSA-N 1 2 311.429 4.493 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(-c2ccccc2)no1 ZINC000484905663 1049073564 /nfs/dbraw/zinc/07/35/64/1049073564.db2.gz CVZAMXNGJGFZQO-UHFFFAOYSA-N 1 2 311.429 4.493 20 30 DIEDLO CCCCCCCC[C@@H](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000775536567 1049123230 /nfs/dbraw/zinc/12/32/30/1049123230.db2.gz IXHWTVDJNKWBRH-MRXNPFEDSA-N 1 2 305.466 4.043 20 30 DIEDLO C=CCOc1ccc(C[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001204294570 1049132615 /nfs/dbraw/zinc/13/26/15/1049132615.db2.gz UATRJFROVJYLSO-UHFFFAOYSA-N 1 2 306.409 4.167 20 30 DIEDLO C=CCOc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001204294570 1049132617 /nfs/dbraw/zinc/13/26/17/1049132617.db2.gz UATRJFROVJYLSO-UHFFFAOYSA-N 1 2 306.409 4.167 20 30 DIEDLO C=CCOc1ccc(C[N@H+]2CCc3ccc(C(C)=O)cc3C2)cc1 ZINC001204303456 1049134757 /nfs/dbraw/zinc/13/47/57/1049134757.db2.gz IUPLJHPCHDMNDN-UHFFFAOYSA-N 1 2 321.420 4.012 20 30 DIEDLO C=CCOc1ccc(C[N@@H+]2CCc3ccc(C(C)=O)cc3C2)cc1 ZINC001204303456 1049134762 /nfs/dbraw/zinc/13/47/62/1049134762.db2.gz IUPLJHPCHDMNDN-UHFFFAOYSA-N 1 2 321.420 4.012 20 30 DIEDLO CCCCCCCOc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001204366519 1049150938 /nfs/dbraw/zinc/15/09/38/1049150938.db2.gz NAIBNESUVHWQLE-GOSISDBHSA-N 1 2 300.446 4.381 20 30 DIEDLO CCCCCCCOc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001204366519 1049150942 /nfs/dbraw/zinc/15/09/42/1049150942.db2.gz NAIBNESUVHWQLE-GOSISDBHSA-N 1 2 300.446 4.381 20 30 DIEDLO CCCCCCCOc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204366520 1049151747 /nfs/dbraw/zinc/15/17/47/1049151747.db2.gz NAIBNESUVHWQLE-SFHVURJKSA-N 1 2 300.446 4.381 20 30 DIEDLO CCCCCCCOc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204366520 1049151760 /nfs/dbraw/zinc/15/17/60/1049151760.db2.gz NAIBNESUVHWQLE-SFHVURJKSA-N 1 2 300.446 4.381 20 30 DIEDLO CCCCCCC[C@H](C)NC(=O)NCc1c[nH+]cn1C(C)C ZINC001192949718 1049152079 /nfs/dbraw/zinc/15/20/79/1049152079.db2.gz ODYDUDZMGFBYFY-HNNXBMFYSA-N 1 2 308.470 4.012 20 30 DIEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](CCC#N)C1CCCC1 ZINC001204449938 1049164646 /nfs/dbraw/zinc/16/46/46/1049164646.db2.gz YRHUINHCVVQBEY-UHFFFAOYSA-N 1 2 322.456 4.147 20 30 DIEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](CCC#N)C1CCCC1 ZINC001204449938 1049164653 /nfs/dbraw/zinc/16/46/53/1049164653.db2.gz YRHUINHCVVQBEY-UHFFFAOYSA-N 1 2 322.456 4.147 20 30 DIEDLO Fc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1C(F)(F)F ZINC001204484891 1049174535 /nfs/dbraw/zinc/17/45/35/1049174535.db2.gz MNETUQRZXKPBSO-SECBINFHSA-N 1 2 315.232 4.229 20 30 DIEDLO Fc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1C(F)(F)F ZINC001204484891 1049174543 /nfs/dbraw/zinc/17/45/43/1049174543.db2.gz MNETUQRZXKPBSO-SECBINFHSA-N 1 2 315.232 4.229 20 30 DIEDLO CCCCCCCCC/C=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857963016 1049214128 /nfs/dbraw/zinc/21/41/28/1049214128.db2.gz QAVLVUYFROPUGL-MQNTZWLQSA-N 1 2 317.477 4.011 20 30 DIEDLO C=CC[N@@H+](Cc1cccc(Cl)c1O)Cc1ccccc1F ZINC001204736483 1049246750 /nfs/dbraw/zinc/24/67/50/1049246750.db2.gz MYGDUQRZPFGOTJ-UHFFFAOYSA-N 1 2 305.780 4.373 20 30 DIEDLO C=CC[N@H+](Cc1cccc(Cl)c1O)Cc1ccccc1F ZINC001204736483 1049246762 /nfs/dbraw/zinc/24/67/62/1049246762.db2.gz MYGDUQRZPFGOTJ-UHFFFAOYSA-N 1 2 305.780 4.373 20 30 DIEDLO CSc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC001179961191 1049252881 /nfs/dbraw/zinc/25/28/81/1049252881.db2.gz BJSSQJBMEFBDII-SJORKVTESA-N 1 2 312.438 4.273 20 30 DIEDLO CSc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC001179961191 1049252895 /nfs/dbraw/zinc/25/28/95/1049252895.db2.gz BJSSQJBMEFBDII-SJORKVTESA-N 1 2 312.438 4.273 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001194051675 1049308930 /nfs/dbraw/zinc/30/89/30/1049308930.db2.gz GVSGQANMNKJOAA-UHFFFAOYSA-N 1 2 314.360 4.312 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001194051675 1049308939 /nfs/dbraw/zinc/30/89/39/1049308939.db2.gz GVSGQANMNKJOAA-UHFFFAOYSA-N 1 2 314.360 4.312 20 30 DIEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(F)(F)F)o2)C1 ZINC001204963178 1049324984 /nfs/dbraw/zinc/32/49/84/1049324984.db2.gz RNMDMBHKKWBSRX-GFCCVEGCSA-N 1 2 320.314 4.311 20 30 DIEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C(F)(F)F)o2)C1 ZINC001204963178 1049324997 /nfs/dbraw/zinc/32/49/97/1049324997.db2.gz RNMDMBHKKWBSRX-GFCCVEGCSA-N 1 2 320.314 4.311 20 30 DIEDLO C=C(Br)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000859469824 1049333630 /nfs/dbraw/zinc/33/36/30/1049333630.db2.gz RSFLBGFFAYLXRE-UHFFFAOYSA-N 1 2 311.248 4.030 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001205049232 1049354782 /nfs/dbraw/zinc/35/47/82/1049354782.db2.gz DKGYTFCQMNWUQN-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001205049232 1049354794 /nfs/dbraw/zinc/35/47/94/1049354794.db2.gz DKGYTFCQMNWUQN-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205055024 1049356576 /nfs/dbraw/zinc/35/65/76/1049356576.db2.gz ASVIEKZUVCOQSJ-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205055024 1049356588 /nfs/dbraw/zinc/35/65/88/1049356588.db2.gz ASVIEKZUVCOQSJ-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO CCCCCCCCOC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001194753151 1049417851 /nfs/dbraw/zinc/41/78/51/1049417851.db2.gz FDGIVFWLDXAMFV-UHFFFAOYSA-N 1 2 321.465 4.270 20 30 DIEDLO CCCCCCC[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001181122549 1049443302 /nfs/dbraw/zinc/44/33/02/1049443302.db2.gz MIGLMHGMBZWJDK-HZPDHXFCSA-N 1 2 305.466 4.112 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)ccc1F ZINC001205502241 1049488279 /nfs/dbraw/zinc/48/82/79/1049488279.db2.gz MEHVWOUMUOJVRM-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)ccc1F ZINC001205502241 1049488282 /nfs/dbraw/zinc/48/82/82/1049488282.db2.gz MEHVWOUMUOJVRM-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO CCCCCCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000862355667 1049490068 /nfs/dbraw/zinc/49/00/68/1049490068.db2.gz MOAQHHMORDLWKY-QGZVFWFLSA-N 1 2 313.445 4.018 20 30 DIEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1O ZINC000775653493 1049525968 /nfs/dbraw/zinc/52/59/68/1049525968.db2.gz IQPXVVIQCZDAKZ-UHFFFAOYSA-N 1 2 314.816 4.329 20 30 DIEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1O ZINC000775653493 1049525982 /nfs/dbraw/zinc/52/59/82/1049525982.db2.gz IQPXVVIQCZDAKZ-UHFFFAOYSA-N 1 2 314.816 4.329 20 30 DIEDLO Cc1ccc(Nc2nc(-c3ccc(C#N)s3)cs2)c(C)[nH+]1 ZINC001203370203 1049582200 /nfs/dbraw/zinc/58/22/00/1049582200.db2.gz XHBFMPYZFZXPML-UHFFFAOYSA-N 1 2 312.423 4.499 20 30 DIEDLO CC1(C)C[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1c1cccnc1 ZINC001196546505 1049671005 /nfs/dbraw/zinc/67/10/05/1049671005.db2.gz ZSPXOBZSAVZNTQ-GOSISDBHSA-N 1 2 310.828 4.170 20 30 DIEDLO CC1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1c1cccnc1 ZINC001196546505 1049671030 /nfs/dbraw/zinc/67/10/30/1049671030.db2.gz ZSPXOBZSAVZNTQ-GOSISDBHSA-N 1 2 310.828 4.170 20 30 DIEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)c1ccc(C#N)cc1 ZINC000794716771 1049683675 /nfs/dbraw/zinc/68/36/75/1049683675.db2.gz ZSWJAHUZBWWWHO-LBPRGKRZSA-N 1 2 313.788 4.014 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(Cl)c1O ZINC001206376222 1049722816 /nfs/dbraw/zinc/72/28/16/1049722816.db2.gz CXEKXOQUVKLRSU-GFCCVEGCSA-N 1 2 300.789 4.110 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC001206376222 1049722828 /nfs/dbraw/zinc/72/28/28/1049722828.db2.gz CXEKXOQUVKLRSU-GFCCVEGCSA-N 1 2 300.789 4.110 20 30 DIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000489501239 1049761490 /nfs/dbraw/zinc/76/14/90/1049761490.db2.gz UMKGTCMVVYHFGL-CYBMUJFWSA-N 1 2 317.458 4.209 20 30 DIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000489501239 1049761498 /nfs/dbraw/zinc/76/14/98/1049761498.db2.gz UMKGTCMVVYHFGL-CYBMUJFWSA-N 1 2 317.458 4.209 20 30 DIEDLO CC(C)n1nccc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001207173884 1049849735 /nfs/dbraw/zinc/84/97/35/1049849735.db2.gz LZESXJFODKABGU-UHFFFAOYSA-N 1 2 302.466 4.293 20 30 DIEDLO CC(C)n1nccc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001207173884 1049849744 /nfs/dbraw/zinc/84/97/44/1049849744.db2.gz LZESXJFODKABGU-UHFFFAOYSA-N 1 2 302.466 4.293 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3c[nH]c4ccccc34)n2c1 ZINC000151410262 1049878759 /nfs/dbraw/zinc/87/87/59/1049878759.db2.gz WZCOUSPEWDTJAV-BQYQJAHWSA-N 1 2 301.349 4.020 20 30 DIEDLO C=CCCCCCCCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001207898660 1049950566 /nfs/dbraw/zinc/95/05/66/1049950566.db2.gz CEVWVXQXLWYTJU-INIZCTEOSA-N 1 2 303.437 4.243 20 30 DIEDLO C=CCCCCCCCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001207898660 1049950585 /nfs/dbraw/zinc/95/05/85/1049950585.db2.gz CEVWVXQXLWYTJU-INIZCTEOSA-N 1 2 303.437 4.243 20 30 DIEDLO CCCCCCC/C=C/C[NH+]1CCN(CC(F)(F)F)CC1 ZINC001208119096 1049975669 /nfs/dbraw/zinc/97/56/69/1049975669.db2.gz WJLVICFBAOQMHA-CMDGGOBGSA-N 1 2 306.416 4.083 20 30 DIEDLO CCCCCCC/C=C/C[N@H+](C)Cc1nnc2ccccn21 ZINC001208120919 1049975826 /nfs/dbraw/zinc/97/58/26/1049975826.db2.gz WEUYVDFBQKQZMV-PKNBQFBNSA-N 1 2 300.450 4.078 20 30 DIEDLO CCCCCCC/C=C/C[N@@H+](C)Cc1nnc2ccccn21 ZINC001208120919 1049975830 /nfs/dbraw/zinc/97/58/30/1049975830.db2.gz WEUYVDFBQKQZMV-PKNBQFBNSA-N 1 2 300.450 4.078 20 30 DIEDLO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000589511479 1050042157 /nfs/dbraw/zinc/04/21/57/1050042157.db2.gz NJEPMHDQXOCKDJ-MDNBWPLSSA-N 1 2 320.383 4.317 20 30 DIEDLO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000589511479 1050042164 /nfs/dbraw/zinc/04/21/64/1050042164.db2.gz NJEPMHDQXOCKDJ-MDNBWPLSSA-N 1 2 320.383 4.317 20 30 DIEDLO Cc1cccc2c(C[N@H+](CCC#N)Cc3ccccc3)c[nH]c21 ZINC001209486114 1050062905 /nfs/dbraw/zinc/06/29/05/1050062905.db2.gz XLVBZBHWQUUNPP-UHFFFAOYSA-N 1 2 303.409 4.392 20 30 DIEDLO Cc1cccc2c(C[N@@H+](CCC#N)Cc3ccccc3)c[nH]c21 ZINC001209486114 1050062910 /nfs/dbraw/zinc/06/29/10/1050062910.db2.gz XLVBZBHWQUUNPP-UHFFFAOYSA-N 1 2 303.409 4.392 20 30 DIEDLO N#CCC[N@@H+](Cc1c[nH]c2cc(F)ccc12)Cc1ccccc1 ZINC001209690740 1050076330 /nfs/dbraw/zinc/07/63/30/1050076330.db2.gz YRJFBVGGMDKOPS-UHFFFAOYSA-N 1 2 307.372 4.223 20 30 DIEDLO N#CCC[N@H+](Cc1c[nH]c2cc(F)ccc12)Cc1ccccc1 ZINC001209690740 1050076334 /nfs/dbraw/zinc/07/63/34/1050076334.db2.gz YRJFBVGGMDKOPS-UHFFFAOYSA-N 1 2 307.372 4.223 20 30 DIEDLO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1c(F)cccc1F ZINC000590199009 1050081135 /nfs/dbraw/zinc/08/11/35/1050081135.db2.gz KDBSWOSCNOCAET-UHFFFAOYSA-N 1 2 314.379 4.398 20 30 DIEDLO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1c(F)cccc1F ZINC000590199009 1050081138 /nfs/dbraw/zinc/08/11/38/1050081138.db2.gz KDBSWOSCNOCAET-UHFFFAOYSA-N 1 2 314.379 4.398 20 30 DIEDLO Cc1cc[nH+]c2cc(NC(=N)c3ccc4ccccc4n3)ccc12 ZINC001171048076 1050188146 /nfs/dbraw/zinc/18/81/46/1050188146.db2.gz IKLCHNGHERYFED-UHFFFAOYSA-N 1 2 312.376 4.128 20 30 DIEDLO Cc1[nH+]cc(Nc2ccccc2-c2ccc(C#N)cc2)cc1N ZINC001210292033 1050191703 /nfs/dbraw/zinc/19/17/03/1050191703.db2.gz YZXYOIFCKFWMSY-UHFFFAOYSA-N 1 2 300.365 4.255 20 30 DIEDLO CC[N@H+](Cc1ccncc1C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000592061889 1050263222 /nfs/dbraw/zinc/26/32/22/1050263222.db2.gz UJQOPIPWWPZOQV-AWEZNQCLSA-N 1 2 305.381 4.283 20 30 DIEDLO CC[N@@H+](Cc1ccncc1C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000592061889 1050263237 /nfs/dbraw/zinc/26/32/37/1050263237.db2.gz UJQOPIPWWPZOQV-AWEZNQCLSA-N 1 2 305.381 4.283 20 30 DIEDLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592071461 1050268709 /nfs/dbraw/zinc/26/87/09/1050268709.db2.gz HERWCBOSGJHJEI-KBXCAEBGSA-N 1 2 309.413 4.082 20 30 DIEDLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592071461 1050268726 /nfs/dbraw/zinc/26/87/26/1050268726.db2.gz HERWCBOSGJHJEI-KBXCAEBGSA-N 1 2 309.413 4.082 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccncc1C#N ZINC000592064806 1050268778 /nfs/dbraw/zinc/26/87/78/1050268778.db2.gz VDDNRSOLNJZNEE-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccncc1C#N ZINC000592064806 1050268788 /nfs/dbraw/zinc/26/87/88/1050268788.db2.gz VDDNRSOLNJZNEE-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3csc(C(C)C)n3)c[nH+]c12 ZINC000771743339 1050277992 /nfs/dbraw/zinc/27/79/92/1050277992.db2.gz CIULDYUWLJPNRE-VOTSOKGWSA-N 1 2 311.410 4.119 20 30 DIEDLO C=CCC[N@@H+](Cc1nc(C(F)(F)F)c[nH]1)Cc1ccccc1 ZINC001137015887 1050293012 /nfs/dbraw/zinc/29/30/12/1050293012.db2.gz AUFPOLYAYIAQLO-UHFFFAOYSA-N 1 2 309.335 4.007 20 30 DIEDLO C=CCC[N@H+](Cc1nc(C(F)(F)F)c[nH]1)Cc1ccccc1 ZINC001137015887 1050293026 /nfs/dbraw/zinc/29/30/26/1050293026.db2.gz AUFPOLYAYIAQLO-UHFFFAOYSA-N 1 2 309.335 4.007 20 30 DIEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C/c1c[nH+]c2ccc(C)cn12 ZINC000771855857 1050293768 /nfs/dbraw/zinc/29/37/68/1050293768.db2.gz CHLRIZAJBFDMCI-CMDGGOBGSA-N 1 2 315.376 4.329 20 30 DIEDLO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088453 1050308074 /nfs/dbraw/zinc/30/80/74/1050308074.db2.gz UWIAPUMRLZGIMG-RISCZKNCSA-N 1 2 309.240 4.086 20 30 DIEDLO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088453 1050308091 /nfs/dbraw/zinc/30/80/91/1050308091.db2.gz UWIAPUMRLZGIMG-RISCZKNCSA-N 1 2 309.240 4.086 20 30 DIEDLO N#CC1([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCCCCC1 ZINC001171093779 1050322215 /nfs/dbraw/zinc/32/22/15/1050322215.db2.gz IDRWXRFXUCCTMN-QGZVFWFLSA-N 1 2 302.849 4.403 20 30 DIEDLO C=CC[N@@H+](Cc1c(C)nn(Cc2ccccc2)c1Cl)C1CC1 ZINC000772381880 1050355829 /nfs/dbraw/zinc/35/58/29/1050355829.db2.gz OCWKIHUOAZJDBH-UHFFFAOYSA-N 1 2 315.848 4.044 20 30 DIEDLO C=CC[N@H+](Cc1c(C)nn(Cc2ccccc2)c1Cl)C1CC1 ZINC000772381880 1050355843 /nfs/dbraw/zinc/35/58/43/1050355843.db2.gz OCWKIHUOAZJDBH-UHFFFAOYSA-N 1 2 315.848 4.044 20 30 DIEDLO COc1cc(Nc2cccc(C(F)(F)F)c2C#N)cc(C)[nH+]1 ZINC001210780721 1050370136 /nfs/dbraw/zinc/37/01/36/1050370136.db2.gz OEKVZYLYFJILFJ-UHFFFAOYSA-N 1 2 307.275 4.033 20 30 DIEDLO COc1cc(Nc2c(C#N)cccc2C(F)(F)F)cc(C)[nH+]1 ZINC001210780362 1050370557 /nfs/dbraw/zinc/37/05/57/1050370557.db2.gz IICMTAHRBLDRIS-UHFFFAOYSA-N 1 2 307.275 4.033 20 30 DIEDLO COc1cc(Nc2cc(C(F)(F)F)ccc2C#N)cc(C)[nH+]1 ZINC001210781652 1050370739 /nfs/dbraw/zinc/37/07/39/1050370739.db2.gz ZZFJHHRTQZFMOJ-UHFFFAOYSA-N 1 2 307.275 4.033 20 30 DIEDLO C=C(Br)C[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000735744190 1050424890 /nfs/dbraw/zinc/42/48/90/1050424890.db2.gz PSGJEDYVLDXPLN-JSGCOSHPSA-N 1 2 312.276 4.074 20 30 DIEDLO C=C(Br)C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000735744190 1050424894 /nfs/dbraw/zinc/42/48/94/1050424894.db2.gz PSGJEDYVLDXPLN-JSGCOSHPSA-N 1 2 312.276 4.074 20 30 DIEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(-c2ccccc2)cn1 ZINC000593653925 1050432118 /nfs/dbraw/zinc/43/21/18/1050432118.db2.gz JWCLINMOUJRBFK-MRXNPFEDSA-N 1 2 305.425 4.483 20 30 DIEDLO CC(=[NH+]OCc1ccc(C(F)(F)F)cc1)c1ccc(N)cc1 ZINC000746576065 1050466754 /nfs/dbraw/zinc/46/67/54/1050466754.db2.gz LBRGUTDENFULMA-UHFFFAOYSA-N 1 2 308.303 4.228 20 30 DIEDLO C=CCCC[N@@H+](C)Cn1nc(-c2ccc(C)cc2)oc1=S ZINC000736582719 1050483320 /nfs/dbraw/zinc/48/33/20/1050483320.db2.gz JYCUMOHQRCSNLW-UHFFFAOYSA-N 1 2 303.431 4.037 20 30 DIEDLO C=CCCC[N@H+](C)Cn1nc(-c2ccc(C)cc2)oc1=S ZINC000736582719 1050483325 /nfs/dbraw/zinc/48/33/25/1050483325.db2.gz JYCUMOHQRCSNLW-UHFFFAOYSA-N 1 2 303.431 4.037 20 30 DIEDLO C=CCCC[N@@H+](C)Cn1nc(-c2ccccc2C)oc1=S ZINC000736589173 1050483683 /nfs/dbraw/zinc/48/36/83/1050483683.db2.gz CHOWZHQSJOYPEY-UHFFFAOYSA-N 1 2 303.431 4.037 20 30 DIEDLO C=CCCC[N@H+](C)Cn1nc(-c2ccccc2C)oc1=S ZINC000736589173 1050483687 /nfs/dbraw/zinc/48/36/87/1050483687.db2.gz CHOWZHQSJOYPEY-UHFFFAOYSA-N 1 2 303.431 4.037 20 30 DIEDLO Cc1ccc(-c2ncc(C[N@@H+](C)CC(C)(C)C#N)s2)cc1C ZINC000594609290 1050540475 /nfs/dbraw/zinc/54/04/75/1050540475.db2.gz JCLGJYXXBNWNOB-UHFFFAOYSA-N 1 2 313.470 4.409 20 30 DIEDLO Cc1ccc(-c2ncc(C[N@H+](C)CC(C)(C)C#N)s2)cc1C ZINC000594609290 1050540489 /nfs/dbraw/zinc/54/04/89/1050540489.db2.gz JCLGJYXXBNWNOB-UHFFFAOYSA-N 1 2 313.470 4.409 20 30 DIEDLO C=C(Cl)C[N@@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000746657011 1050562662 /nfs/dbraw/zinc/56/26/62/1050562662.db2.gz CJNMDGZCLKCBDX-GFCCVEGCSA-N 1 2 321.770 4.467 20 30 DIEDLO C=C(Cl)C[N@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000746657011 1050562673 /nfs/dbraw/zinc/56/26/73/1050562673.db2.gz CJNMDGZCLKCBDX-GFCCVEGCSA-N 1 2 321.770 4.467 20 30 DIEDLO N#CC1(C[NH2+]Cc2nc(-c3ccccc3)cs2)CCCCC1 ZINC000594981216 1050587933 /nfs/dbraw/zinc/58/79/33/1050587933.db2.gz KVHSGPYKZOEREC-UHFFFAOYSA-N 1 2 311.454 4.374 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1c(Cl)ccc2cccnc21 ZINC000739914681 1050595326 /nfs/dbraw/zinc/59/53/26/1050595326.db2.gz NHHBKTJANWPJRN-UHFFFAOYSA-N 1 2 301.821 4.260 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1c(Cl)ccc2cccnc21 ZINC000739914681 1050595338 /nfs/dbraw/zinc/59/53/38/1050595338.db2.gz NHHBKTJANWPJRN-UHFFFAOYSA-N 1 2 301.821 4.260 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc2c3c(cccc31)CC2 ZINC000740765025 1050625191 /nfs/dbraw/zinc/62/51/91/1050625191.db2.gz NUAOQSAVTGSWFV-ZRDIBKRKSA-N 1 2 324.383 4.482 20 30 DIEDLO N#CC1(c2cccc(Nc3ccccc3-n3cc[nH+]c3)c2)CC1 ZINC001213320996 1050629396 /nfs/dbraw/zinc/62/93/96/1050629396.db2.gz SZJNTVLEPFLMDK-UHFFFAOYSA-N 1 2 300.365 4.171 20 30 DIEDLO Cc1cc(C)c(Nc2ccc(Br)c(F)c2C#N)c[nH+]1 ZINC001213518224 1050676357 /nfs/dbraw/zinc/67/63/57/1050676357.db2.gz BSTMQHJFTSCLMU-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO Cc1c[nH+]cc(Nc2ccc(C#N)cc2Br)c1C ZINC001213528346 1050679399 /nfs/dbraw/zinc/67/93/99/1050679399.db2.gz BHYRZOIPWBDOBG-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO COc1ccc([C@H](C)CC/[NH+]=C/c2cc(OC)ccc2O)cc1 ZINC000741465561 1050682382 /nfs/dbraw/zinc/68/23/82/1050682382.db2.gz VPANAXWYYJOQDG-GNUZOCDUSA-N 1 2 313.397 4.022 20 30 DIEDLO COc1ccc([C@H](C)CC/[NH+]=C\c2cccc(OC)c2O)cc1 ZINC000741463564 1050682489 /nfs/dbraw/zinc/68/24/89/1050682489.db2.gz GQEXYSOGFPRGGM-KELUXRKGSA-N 1 2 313.397 4.022 20 30 DIEDLO CCOc1cccc(/C=[NH+]\C[C@H](C)Cc2cccs2)c1O ZINC000741464306 1050682860 /nfs/dbraw/zinc/68/28/60/1050682860.db2.gz NQXOOPKOCCVWBZ-FDIDITGRSA-N 1 2 303.427 4.150 20 30 DIEDLO N#CC[C@H]1CCCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000596324680 1050707014 /nfs/dbraw/zinc/70/70/14/1050707014.db2.gz ARQKHVMMTAWZQU-GFCCVEGCSA-N 1 2 319.330 4.384 20 30 DIEDLO N#CC1(c2ccc(C[N@H+](CC(F)F)CC3CCC3)cc2)CC1 ZINC000597027586 1050796011 /nfs/dbraw/zinc/79/60/11/1050796011.db2.gz QWHJMFJDBOUGKZ-UHFFFAOYSA-N 1 2 304.384 4.109 20 30 DIEDLO N#CC1(c2ccc(C[N@@H+](CC(F)F)CC3CCC3)cc2)CC1 ZINC000597027586 1050796018 /nfs/dbraw/zinc/79/60/18/1050796018.db2.gz QWHJMFJDBOUGKZ-UHFFFAOYSA-N 1 2 304.384 4.109 20 30 DIEDLO CC[C@H](CC#N)[NH2+]Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846979775 1050796425 /nfs/dbraw/zinc/79/64/25/1050796425.db2.gz CQKPUABZKMQMGO-CYBMUJFWSA-N 1 2 308.212 4.323 20 30 DIEDLO CN(c1ccc(Nc2ccc(N)cc2C#N)c[nH+]1)C1CCCCC1 ZINC001212615255 1050810711 /nfs/dbraw/zinc/81/07/11/1050810711.db2.gz PRKLVNDLHWHXRW-UHFFFAOYSA-N 1 2 321.428 4.048 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597229623 1050825545 /nfs/dbraw/zinc/82/55/45/1050825545.db2.gz NOTUWPLVGQXWBE-FQEVSTJZSA-N 1 2 306.409 4.098 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597229623 1050825551 /nfs/dbraw/zinc/82/55/51/1050825551.db2.gz NOTUWPLVGQXWBE-FQEVSTJZSA-N 1 2 306.409 4.098 20 30 DIEDLO CCCCCCCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790154239 1050920782 /nfs/dbraw/zinc/92/07/82/1050920782.db2.gz XHORDBUCCIQACF-GOSISDBHSA-N 1 2 318.461 4.202 20 30 DIEDLO C=CCn1c(C)nn(C[N@@H+](C)C2CCC(CCC)CC2)c1=S ZINC000790477629 1050963290 /nfs/dbraw/zinc/96/32/90/1050963290.db2.gz IERUSIFSXCZKBM-UHFFFAOYSA-N 1 2 322.522 4.157 20 30 DIEDLO C=CCn1c(C)nn(C[N@H+](C)C2CCC(CCC)CC2)c1=S ZINC000790477629 1050963302 /nfs/dbraw/zinc/96/33/02/1050963302.db2.gz IERUSIFSXCZKBM-UHFFFAOYSA-N 1 2 322.522 4.157 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(SC)[nH+]c(C)n1 ZINC001171370668 1051023286 /nfs/dbraw/zinc/02/32/86/1051023286.db2.gz YFNWPTJZKGPKSA-LBPRGKRZSA-N 1 2 315.442 4.245 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC001171374442 1051039060 /nfs/dbraw/zinc/03/90/60/1051039060.db2.gz SCAXPEBNXVSHOI-MRXNPFEDSA-N 1 2 323.440 4.420 20 30 DIEDLO N#CCOc1ccccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001212600662 1051158054 /nfs/dbraw/zinc/15/80/54/1051158054.db2.gz FGVBJDCAFCMHHY-UHFFFAOYSA-N 1 2 307.397 4.323 20 30 DIEDLO N#Cc1cccc(C[N@H+](Cc2nc3ccccc3s2)C2CC2)c1 ZINC000746115117 1051322291 /nfs/dbraw/zinc/32/22/91/1051322291.db2.gz KTWAZIRFXOMDQR-UHFFFAOYSA-N 1 2 319.433 4.333 20 30 DIEDLO N#Cc1cccc(C[N@@H+](Cc2nc3ccccc3s2)C2CC2)c1 ZINC000746115117 1051322301 /nfs/dbraw/zinc/32/23/01/1051322301.db2.gz KTWAZIRFXOMDQR-UHFFFAOYSA-N 1 2 319.433 4.333 20 30 DIEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000746457824 1051423903 /nfs/dbraw/zinc/42/39/03/1051423903.db2.gz SHKQDLRVCRNXRY-KRWDZBQOSA-N 1 2 312.800 4.189 20 30 DIEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000746457824 1051423908 /nfs/dbraw/zinc/42/39/08/1051423908.db2.gz SHKQDLRVCRNXRY-KRWDZBQOSA-N 1 2 312.800 4.189 20 30 DIEDLO CC(C)[C@H]1c2ccccc2C(=O)/C1=C/c1cccc2[nH+]ccn21 ZINC000766507696 1051450506 /nfs/dbraw/zinc/45/05/06/1051450506.db2.gz WLMJIOVIATYKQE-WPNIOXTASA-N 1 2 302.377 4.354 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1NCc1c(Cl)cncc1Cl ZINC001169182976 1051548554 /nfs/dbraw/zinc/54/85/54/1051548554.db2.gz PHRCPERESGIVNI-UHFFFAOYSA-N 1 2 308.212 4.432 20 30 DIEDLO Cc1sc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1C ZINC001212693215 1051574686 /nfs/dbraw/zinc/57/46/86/1051574686.db2.gz JDJRDGAHLZQKIK-UHFFFAOYSA-N 1 2 308.410 4.225 20 30 DIEDLO C[C@@H](C#N)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212696985 1051587779 /nfs/dbraw/zinc/58/77/79/1051587779.db2.gz YQQPJBBMDJHIAA-HNNXBMFYSA-N 1 2 302.381 4.302 20 30 DIEDLO Cc1cccn2c(/C=C3\C(=O)c4cccc(C)c4[C@@H]3C)c[nH+]c12 ZINC000766696611 1051613242 /nfs/dbraw/zinc/61/32/42/1051613242.db2.gz VWDHJBCXSKOTCC-AYCSXLNKSA-N 1 2 302.377 4.335 20 30 DIEDLO C#C[C@@](C)(CC)Nc1ccc(-c2cccc(C(=O)OC)c2)c(C)[nH+]1 ZINC001169692088 1051675136 /nfs/dbraw/zinc/67/51/36/1051675136.db2.gz KHYLGNFRRCHYNS-FQEVSTJZSA-N 1 2 322.408 4.057 20 30 DIEDLO CCc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)ccc1C#N ZINC001216314944 1051694183 /nfs/dbraw/zinc/69/41/83/1051694183.db2.gz PIRFGLAJNNBBQR-UHFFFAOYSA-N 1 2 302.381 4.109 20 30 DIEDLO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(Cl)c1O ZINC000806131255 1051732554 /nfs/dbraw/zinc/73/25/54/1051732554.db2.gz HOEJTZGFPHRLKT-INIZCTEOSA-N 1 2 300.789 4.158 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2ccc(SC(F)(F)F)cc2)c1 ZINC000767292764 1051784764 /nfs/dbraw/zinc/78/47/64/1051784764.db2.gz WZJAJGQMIXRIRO-UHFFFAOYSA-N 1 2 323.343 4.372 20 30 DIEDLO C[C@]1(C/[NH+]=C\c2c(O)ccc3ccccc32)CCO[C@H]1C1CC1 ZINC000767339579 1051787807 /nfs/dbraw/zinc/78/78/07/1051787807.db2.gz VDVDVPMXWNXQIA-LDUBKBBESA-N 1 2 309.409 4.170 20 30 DIEDLO COc1c(Cl)cc(Cl)cc1C[N@H+](CCC#N)CC(C)C ZINC000768153844 1051889218 /nfs/dbraw/zinc/88/92/18/1051889218.db2.gz MOBHVUSIPQKEMH-UHFFFAOYSA-N 1 2 315.244 4.374 20 30 DIEDLO COc1c(Cl)cc(Cl)cc1C[N@@H+](CCC#N)CC(C)C ZINC000768153844 1051889222 /nfs/dbraw/zinc/88/92/22/1051889222.db2.gz MOBHVUSIPQKEMH-UHFFFAOYSA-N 1 2 315.244 4.374 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1ccccc1OCc1ccccn1 ZINC000768153556 1051890553 /nfs/dbraw/zinc/89/05/53/1051890553.db2.gz HQVXKFIHWSOHFE-UHFFFAOYSA-N 1 2 323.440 4.032 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccccc1OCc1ccccn1 ZINC000768153556 1051890567 /nfs/dbraw/zinc/89/05/67/1051890567.db2.gz HQVXKFIHWSOHFE-UHFFFAOYSA-N 1 2 323.440 4.032 20 30 DIEDLO C#CCOc1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000768193246 1051901962 /nfs/dbraw/zinc/90/19/62/1051901962.db2.gz YSCCHQKIVHVHRF-UHFFFAOYSA-N 1 2 321.376 4.087 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1c(F)cccc1Cl ZINC000807969879 1051952440 /nfs/dbraw/zinc/95/24/40/1051952440.db2.gz NEGLNMFCGLXYIE-UHFFFAOYSA-N 1 2 313.763 4.285 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)s1 ZINC000769563956 1052083463 /nfs/dbraw/zinc/08/34/63/1052083463.db2.gz YOXWSVSYTZHRDJ-UHFFFAOYSA-N 1 2 320.417 4.438 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)s1 ZINC000769563956 1052083469 /nfs/dbraw/zinc/08/34/69/1052083469.db2.gz YOXWSVSYTZHRDJ-UHFFFAOYSA-N 1 2 320.417 4.438 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc2c(s1)CCCC2 ZINC000769613708 1052088554 /nfs/dbraw/zinc/08/85/54/1052088554.db2.gz BDXXPTWYKLHIOB-HJWRWDBZSA-N 1 2 308.406 4.171 20 30 DIEDLO O=C1c2cccc3c2[C@H](CCC3)/C1=C\c1cccc2[nH+]ccn21 ZINC000769614579 1052089210 /nfs/dbraw/zinc/08/92/10/1052089210.db2.gz KXVROQBTVTUUCX-YHZJOHHESA-N 1 2 300.361 4.034 20 30 DIEDLO N#Cc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)ccc1Cl ZINC001174403183 1052130425 /nfs/dbraw/zinc/13/04/25/1052130425.db2.gz JHPRJWVWAWHTSI-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO C=CC[N@@H+](Cc1sccc1Cl)Cc1cccc(C#N)c1 ZINC000494958987 1052181111 /nfs/dbraw/zinc/18/11/11/1052181111.db2.gz PJFMTZCAHMCTNZ-UHFFFAOYSA-N 1 2 302.830 4.461 20 30 DIEDLO C=CC[N@H+](Cc1sccc1Cl)Cc1cccc(C#N)c1 ZINC000494958987 1052181118 /nfs/dbraw/zinc/18/11/18/1052181118.db2.gz PJFMTZCAHMCTNZ-UHFFFAOYSA-N 1 2 302.830 4.461 20 30 DIEDLO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000324418286 1052446784 /nfs/dbraw/zinc/44/67/84/1052446784.db2.gz XSGKMPMSFZHHCG-MRXNPFEDSA-N 1 2 321.424 4.362 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3/C(=O)c4cccc5c4[C@@H]3CCC5)n2c1 ZINC000763290649 1052557509 /nfs/dbraw/zinc/55/75/09/1052557509.db2.gz RRSMMCCIEDREHZ-VHWUNXFSSA-N 1 2 314.388 4.343 20 30 DIEDLO Fc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)s2)cc1 ZINC000916268038 1052599678 /nfs/dbraw/zinc/59/96/78/1052599678.db2.gz GDOGORALSQBHSU-UHFFFAOYSA-N 1 2 303.406 4.324 20 30 DIEDLO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3)cs2)c(F)c1 ZINC000237712377 1053022427 /nfs/dbraw/zinc/02/24/27/1053022427.db2.gz HHFLXWMRCQUZNB-UHFFFAOYSA-N 1 2 323.396 4.111 20 30 DIEDLO C=C(C)[C@H]1CC=C(C)[C@H](Oc2cc3c(cc2OC)CC[NH+]=C3)C1 ZINC001228089818 1053042813 /nfs/dbraw/zinc/04/28/13/1053042813.db2.gz KYCQBCMXCMQXFB-MAUKXSAKSA-N 1 2 311.425 4.350 20 30 DIEDLO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc3[nH]c(C)[nH+]c3c2)O1 ZINC001228325602 1053073729 /nfs/dbraw/zinc/07/37/29/1053073729.db2.gz BLCOTHLIUOJNDH-FUHWJXTLSA-N 1 2 300.402 4.152 20 30 DIEDLO CCCCNc1[nH+]c2ccccc2n1Cc1ccccc1C#N ZINC000849477765 1053094229 /nfs/dbraw/zinc/09/42/29/1053094229.db2.gz AIZBGDGDSWEGKG-UHFFFAOYSA-N 1 2 304.397 4.168 20 30 DIEDLO Cc1nc(N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc[nH+]1 ZINC000543896777 1053134194 /nfs/dbraw/zinc/13/41/94/1053134194.db2.gz FNVUCAZIFQXCKM-CQSZACIVSA-N 1 2 314.392 4.497 20 30 DIEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001317947785 1053141554 /nfs/dbraw/zinc/14/15/54/1053141554.db2.gz UCNQEYUSYURELJ-ZDUSSCGKSA-N 1 2 300.627 4.386 20 30 DIEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001317947785 1053141557 /nfs/dbraw/zinc/14/15/57/1053141557.db2.gz UCNQEYUSYURELJ-ZDUSSCGKSA-N 1 2 300.627 4.386 20 30 DIEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(SC(C)C)cc1 ZINC000901472945 1053168186 /nfs/dbraw/zinc/16/81/86/1053168186.db2.gz XAWPDJKUIYRXFW-YFHOEESVSA-N 1 2 300.427 4.300 20 30 DIEDLO Fc1cc(F)cc(N[NH+]=Cc2ccc(N3CCCC3)cc2)c1 ZINC001320163832 1053311450 /nfs/dbraw/zinc/31/14/50/1053311450.db2.gz XOXJRLRDHXOYLE-UHFFFAOYSA-N 1 2 301.340 4.011 20 30 DIEDLO N#Cc1cccc(CSCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001320686814 1053355350 /nfs/dbraw/zinc/35/53/50/1053355350.db2.gz KOMAAUZENAPBQV-UHFFFAOYSA-N 1 2 305.406 4.177 20 30 DIEDLO CC(C)(C)n1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1 ZINC001320703096 1053356180 /nfs/dbraw/zinc/35/61/80/1053356180.db2.gz ATSDTLPPPFYAIB-UHFFFAOYSA-N 1 2 304.397 4.275 20 30 DIEDLO CSc1ccccc1C(=O)/C=C/c1c[nH+]c2c(C)cccn12 ZINC001321218465 1053401856 /nfs/dbraw/zinc/40/18/56/1053401856.db2.gz QLTZUZGRADMQQU-MDZDMXLPSA-N 1 2 308.406 4.261 20 30 DIEDLO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC001229954448 1053437814 /nfs/dbraw/zinc/43/78/14/1053437814.db2.gz OXYMMRJFRHXTFY-PKOBYXMFSA-N 1 2 312.413 4.153 20 30 DIEDLO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC001229954447 1053438353 /nfs/dbraw/zinc/43/83/53/1053438353.db2.gz OXYMMRJFRHXTFY-MJGOQNOKSA-N 1 2 312.413 4.153 20 30 DIEDLO CC[C@H](C#Cc1ccccc1)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954317 1053438689 /nfs/dbraw/zinc/43/86/89/1053438689.db2.gz NFOMTYQSSAKZKV-LJQANCHMSA-N 1 2 302.377 4.081 20 30 DIEDLO COc1cccc2c(N[C@H](C)c3cccc(C#N)c3)cc[nH+]c12 ZINC000619651275 1053526226 /nfs/dbraw/zinc/52/62/26/1053526226.db2.gz MJLWIGTXZZIPEP-CYBMUJFWSA-N 1 2 303.365 4.288 20 30 DIEDLO COc1cccc2c(N[C@@H](C)c3cccc(C#N)c3)cc[nH+]c12 ZINC000619651276 1053526424 /nfs/dbraw/zinc/52/64/24/1053526424.db2.gz MJLWIGTXZZIPEP-ZDUSSCGKSA-N 1 2 303.365 4.288 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cc2ccccc2s1 ZINC001322819748 1053542637 /nfs/dbraw/zinc/54/26/37/1053542637.db2.gz LXBNEZAPADBWMH-KTKRTIGZSA-N 1 2 308.406 4.258 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(Cl)cc1Cl ZINC001323544272 1053589114 /nfs/dbraw/zinc/58/91/14/1053589114.db2.gz GCHWDFZIZXJDMX-YVMONPNESA-N 1 2 321.207 4.351 20 30 DIEDLO N#Cc1ccc(F)cc1CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC001324495370 1053659000 /nfs/dbraw/zinc/65/90/00/1053659000.db2.gz FWGJINHGJXPYLW-UHFFFAOYSA-N 1 2 323.396 4.316 20 30 DIEDLO CC[C@H](C#Cc1ccccc1)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083925 1053671797 /nfs/dbraw/zinc/67/17/97/1053671797.db2.gz PRDJELVJRINAHH-LJQANCHMSA-N 1 2 316.404 4.296 20 30 DIEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC001231814094 1053873548 /nfs/dbraw/zinc/87/35/48/1053873548.db2.gz GVTSKJAHOOIJOA-OAHLLOKOSA-N 1 2 312.800 4.478 20 30 DIEDLO N#C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC001231814094 1053873560 /nfs/dbraw/zinc/87/35/60/1053873560.db2.gz GVTSKJAHOOIJOA-OAHLLOKOSA-N 1 2 312.800 4.478 20 30 DIEDLO Fc1c(C[NH+]2CCC(F)(F)CC2)ccc(C(F)(F)F)c1F ZINC001231857165 1053890694 /nfs/dbraw/zinc/89/06/94/1053890694.db2.gz XFBQMOGMRZOZGJ-UHFFFAOYSA-N 1 2 315.232 4.215 20 30 DIEDLO C#CC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCc2ccccc21 ZINC001231911757 1053916420 /nfs/dbraw/zinc/91/64/20/1053916420.db2.gz LPFDNYUTBRIFSS-GOSISDBHSA-N 1 2 311.812 4.168 20 30 DIEDLO C#CC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCc2ccccc21 ZINC001231911757 1053916431 /nfs/dbraw/zinc/91/64/31/1053916431.db2.gz LPFDNYUTBRIFSS-GOSISDBHSA-N 1 2 311.812 4.168 20 30 DIEDLO Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001232375846 1054034391 /nfs/dbraw/zinc/03/43/91/1054034391.db2.gz HGXAYJQWSFXBAG-OAQYLSRUSA-N 1 2 320.436 4.310 20 30 DIEDLO Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001232375846 1054034402 /nfs/dbraw/zinc/03/44/02/1054034402.db2.gz HGXAYJQWSFXBAG-OAQYLSRUSA-N 1 2 320.436 4.310 20 30 DIEDLO CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678416 1054099794 /nfs/dbraw/zinc/09/97/94/1054099794.db2.gz YIHWPXFWWZTQES-QGZVFWFLSA-N 1 2 324.449 4.323 20 30 DIEDLO CSc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678416 1054099807 /nfs/dbraw/zinc/09/98/07/1054099807.db2.gz YIHWPXFWWZTQES-QGZVFWFLSA-N 1 2 324.449 4.323 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1c(C)noc1CC)c1ccc(F)c(F)c1 ZINC001333358701 1054151626 /nfs/dbraw/zinc/15/16/26/1054151626.db2.gz CLATTZWYFUISIS-QGZVFWFLSA-N 1 2 306.356 4.231 20 30 DIEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c(C#N)c1 ZINC001232969142 1054163054 /nfs/dbraw/zinc/16/30/54/1054163054.db2.gz ZESHBFWKGALEQD-LJQANCHMSA-N 1 2 312.363 4.482 20 30 DIEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c(C#N)c1 ZINC001232969142 1054163060 /nfs/dbraw/zinc/16/30/60/1054163060.db2.gz ZESHBFWKGALEQD-LJQANCHMSA-N 1 2 312.363 4.482 20 30 DIEDLO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC001334315110 1054186249 /nfs/dbraw/zinc/18/62/49/1054186249.db2.gz VCRBGKJYOOIZLF-SNVBAGLBSA-N 1 2 305.472 4.225 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(C(F)(F)F)c1 ZINC001233179175 1054199298 /nfs/dbraw/zinc/19/92/98/1054199298.db2.gz ZLOXLAPXBMFXFN-WLLOZRIZSA-N 1 2 300.349 4.033 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(C(F)(F)F)c1 ZINC001233179175 1054199303 /nfs/dbraw/zinc/19/93/03/1054199303.db2.gz ZLOXLAPXBMFXFN-WLLOZRIZSA-N 1 2 300.349 4.033 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1snnc1C)c1ccc(F)c(F)c1 ZINC001341139897 1054378968 /nfs/dbraw/zinc/37/89/68/1054378968.db2.gz UDSMFAGSPXEBPN-YMTOWFKASA-N 1 2 309.385 4.093 20 30 DIEDLO C=C(C)CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001357128011 1054421569 /nfs/dbraw/zinc/42/15/69/1054421569.db2.gz CPQYGVKALASBLV-UHFFFAOYSA-N 1 2 309.413 4.181 20 30 DIEDLO Fc1ccc(C#CC[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC001473276757 1054477028 /nfs/dbraw/zinc/47/70/28/1054477028.db2.gz MDNLPZUEVTVRBM-UHFFFAOYSA-N 1 2 323.386 4.496 20 30 DIEDLO CCc1c2ccccc2oc1C(=O)/C=C\c1ccc[nH+]c1N(C)C ZINC001346401889 1054534593 /nfs/dbraw/zinc/53/45/93/1054534593.db2.gz ORRMIVVMJRGNNT-QXMHVHEDSA-N 1 2 320.392 4.352 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001347555401 1054573515 /nfs/dbraw/zinc/57/35/15/1054573515.db2.gz LFGPANMHCCIFBJ-UHFFFAOYSA-N 1 2 319.493 4.267 20 30 DIEDLO C=C1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001358056308 1054589784 /nfs/dbraw/zinc/58/97/84/1054589784.db2.gz PXEYNTCWXLBIHG-UHFFFAOYSA-N 1 2 315.804 4.211 20 30 DIEDLO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1Cl ZINC001349498058 1054757786 /nfs/dbraw/zinc/75/77/86/1054757786.db2.gz IUKAXJORJCEKPT-UHFFFAOYSA-N 1 2 309.800 4.325 20 30 DIEDLO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1Cl ZINC001349498058 1054757802 /nfs/dbraw/zinc/75/78/02/1054757802.db2.gz IUKAXJORJCEKPT-UHFFFAOYSA-N 1 2 309.800 4.325 20 30 DIEDLO N#CCC[N@@H+](Cc1ccc(OC(F)F)cc1F)C1CCCC1 ZINC001236720450 1055240025 /nfs/dbraw/zinc/24/00/25/1055240025.db2.gz KPWUGJVFYMSMCE-UHFFFAOYSA-N 1 2 312.335 4.085 20 30 DIEDLO N#CCC[N@H+](Cc1ccc(OC(F)F)cc1F)C1CCCC1 ZINC001236720450 1055240031 /nfs/dbraw/zinc/24/00/31/1055240031.db2.gz KPWUGJVFYMSMCE-UHFFFAOYSA-N 1 2 312.335 4.085 20 30 DIEDLO CC(C)(C)Oc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000764921361 1055294804 /nfs/dbraw/zinc/29/48/04/1055294804.db2.gz SXAKEAWFTRACPG-XFXZXTDPSA-N 1 2 320.392 4.408 20 30 DIEDLO CC(C)(C)Oc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000764921360 1055295177 /nfs/dbraw/zinc/29/51/77/1055295177.db2.gz SXAKEAWFTRACPG-FMIVXFBMSA-N 1 2 320.392 4.408 20 30 DIEDLO Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)cn2)c1C ZINC001236986318 1055325172 /nfs/dbraw/zinc/32/51/72/1055325172.db2.gz UQEKWBLPJGHWIZ-FQEVSTJZSA-N 1 2 305.425 4.101 20 30 DIEDLO Cc1cccc(-c2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)cn2)c1C ZINC001236986318 1055325194 /nfs/dbraw/zinc/32/51/94/1055325194.db2.gz UQEKWBLPJGHWIZ-FQEVSTJZSA-N 1 2 305.425 4.101 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237025582 1055344263 /nfs/dbraw/zinc/34/42/63/1055344263.db2.gz FBEVVZNCFBMUCM-SFHVURJKSA-N 1 2 311.816 4.138 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237025582 1055344279 /nfs/dbraw/zinc/34/42/79/1055344279.db2.gz FBEVVZNCFBMUCM-SFHVURJKSA-N 1 2 311.816 4.138 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237497008 1055462621 /nfs/dbraw/zinc/46/26/21/1055462621.db2.gz LAYBIMQDLMIAKJ-UHFFFAOYSA-N 1 2 317.820 4.110 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237497008 1055462633 /nfs/dbraw/zinc/46/26/33/1055462633.db2.gz LAYBIMQDLMIAKJ-UHFFFAOYSA-N 1 2 317.820 4.110 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(Cl)c(F)c1 ZINC000765612997 1055514704 /nfs/dbraw/zinc/51/47/04/1055514704.db2.gz MPXBTPLQTOEMOK-ALCCZGGFSA-N 1 2 300.720 4.023 20 30 DIEDLO CCCOc1cc(F)ccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001237907525 1055557383 /nfs/dbraw/zinc/55/73/83/1055557383.db2.gz ORVNDKFWFCZUOL-UHFFFAOYSA-N 1 2 324.399 4.044 20 30 DIEDLO CCCOc1cc(F)ccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001237907525 1055557398 /nfs/dbraw/zinc/55/73/98/1055557398.db2.gz ORVNDKFWFCZUOL-UHFFFAOYSA-N 1 2 324.399 4.044 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)c(O)c(Cl)c1 ZINC001237997592 1055575613 /nfs/dbraw/zinc/57/56/13/1055575613.db2.gz MMWHKTISFMUKEQ-UHFFFAOYSA-N 1 2 305.780 4.373 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(C2CC2)cnc1OC ZINC001238027408 1055588238 /nfs/dbraw/zinc/58/82/38/1055588238.db2.gz AOCYZPNLXCFATA-UHFFFAOYSA-N 1 2 308.425 4.156 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C2CC2)cnc1OC ZINC001238027408 1055588249 /nfs/dbraw/zinc/58/82/49/1055588249.db2.gz AOCYZPNLXCFATA-UHFFFAOYSA-N 1 2 308.425 4.156 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001238086245 1055604028 /nfs/dbraw/zinc/60/40/28/1055604028.db2.gz YONRLKFKTBUMMN-HXUWFJFHSA-N 1 2 320.823 4.334 20 30 DIEDLO C#CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001238086245 1055604034 /nfs/dbraw/zinc/60/40/34/1055604034.db2.gz YONRLKFKTBUMMN-HXUWFJFHSA-N 1 2 320.823 4.334 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)ccc1Cl ZINC001238193962 1055617271 /nfs/dbraw/zinc/61/72/71/1055617271.db2.gz IDKMEXPRJFFDKD-SFHVURJKSA-N 1 2 311.816 4.334 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)ccc1Cl ZINC001238193962 1055617275 /nfs/dbraw/zinc/61/72/75/1055617275.db2.gz IDKMEXPRJFFDKD-SFHVURJKSA-N 1 2 311.816 4.334 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cc(Br)cc(C(C)C)c1 ZINC001238416437 1055652731 /nfs/dbraw/zinc/65/27/31/1055652731.db2.gz SOPQKUDDLIWOHF-UHFFFAOYSA-N 1 2 309.251 4.308 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cc(Br)cc(C(C)C)c1 ZINC001238416437 1055652734 /nfs/dbraw/zinc/65/27/34/1055652734.db2.gz SOPQKUDDLIWOHF-UHFFFAOYSA-N 1 2 309.251 4.308 20 30 DIEDLO CC(C)Oc1ccc(C[N@H+](CCC#N)C2CCCC2)c(F)c1 ZINC001238449117 1055659503 /nfs/dbraw/zinc/65/95/03/1055659503.db2.gz AGTCXWUHEDTHKA-UHFFFAOYSA-N 1 2 304.409 4.271 20 30 DIEDLO CC(C)Oc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(F)c1 ZINC001238449117 1055659511 /nfs/dbraw/zinc/65/95/11/1055659511.db2.gz AGTCXWUHEDTHKA-UHFFFAOYSA-N 1 2 304.409 4.271 20 30 DIEDLO Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001238539815 1055683361 /nfs/dbraw/zinc/68/33/61/1055683361.db2.gz RBFJJFWTLUYBJU-AWEZNQCLSA-N 1 2 311.816 4.056 20 30 DIEDLO Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001238539815 1055683363 /nfs/dbraw/zinc/68/33/63/1055683363.db2.gz RBFJJFWTLUYBJU-AWEZNQCLSA-N 1 2 311.816 4.056 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238642829 1055706981 /nfs/dbraw/zinc/70/69/81/1055706981.db2.gz XDPJPRUSWCFXSK-OAHLLOKOSA-N 1 2 311.816 4.138 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238642829 1055706995 /nfs/dbraw/zinc/70/69/95/1055706995.db2.gz XDPJPRUSWCFXSK-OAHLLOKOSA-N 1 2 311.816 4.138 20 30 DIEDLO C[N@H+](Cc1cscc1Br)Cc1ccc(C#N)cc1 ZINC000347579183 1055851785 /nfs/dbraw/zinc/85/17/85/1055851785.db2.gz FEOQRKIMYMJAQB-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1cscc1Br)Cc1ccc(C#N)cc1 ZINC000347579183 1055851790 /nfs/dbraw/zinc/85/17/90/1055851790.db2.gz FEOQRKIMYMJAQB-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO Cc1cc(OCc2c[nH+]c(N(C)C)c3ccccc23)ccc1C#N ZINC001613749657 1056405088 /nfs/dbraw/zinc/40/50/88/1056405088.db2.gz AXFXOYQNOWIVRJ-UHFFFAOYSA-N 1 2 317.392 4.060 20 30 DIEDLO CCCCCCCC[C@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001615600778 1056542114 /nfs/dbraw/zinc/54/21/14/1056542114.db2.gz UBPQYOQPLSUMEQ-INIZCTEOSA-N 1 2 318.461 4.058 20 30 DIEDLO CCCCCCCC[C@@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001615600788 1056542219 /nfs/dbraw/zinc/54/22/19/1056542219.db2.gz UBPQYOQPLSUMEQ-MRXNPFEDSA-N 1 2 318.461 4.058 20 30 DIEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H](C)C(C)(C)C)[nH+]1 ZINC001168683371 1056544390 /nfs/dbraw/zinc/54/43/90/1056544390.db2.gz HOFBFXSLGRYTJY-RARRGTEFSA-N 1 2 323.506 4.118 20 30 DIEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H](C)C(C)(C)C)[nH+]1 ZINC001168683370 1056544941 /nfs/dbraw/zinc/54/49/41/1056544941.db2.gz HOFBFXSLGRYTJY-PUXKIEAOSA-N 1 2 323.506 4.118 20 30 DIEDLO Clc1ccccc1C#CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC001617828653 1056889369 /nfs/dbraw/zinc/88/93/69/1056889369.db2.gz NVRSOJITSFORNX-UHFFFAOYSA-N 1 2 307.824 4.481 20 30 DIEDLO Clc1ccccc1C#CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC001617828653 1056889374 /nfs/dbraw/zinc/88/93/74/1056889374.db2.gz NVRSOJITSFORNX-UHFFFAOYSA-N 1 2 307.824 4.481 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)cccc1Cl ZINC001617860754 1056892656 /nfs/dbraw/zinc/89/26/56/1056892656.db2.gz XXOSRUGSAVFIHI-UHFFFAOYSA-N 1 2 319.832 4.312 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)cccc1Cl ZINC001617860754 1056892661 /nfs/dbraw/zinc/89/26/61/1056892661.db2.gz XXOSRUGSAVFIHI-UHFFFAOYSA-N 1 2 319.832 4.312 20 30 DIEDLO C=C1CC(C)(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001618134103 1056926517 /nfs/dbraw/zinc/92/65/17/1056926517.db2.gz ZOMLPCSXUZHHES-UHFFFAOYSA-N 1 2 321.424 4.181 20 30 DIEDLO C=CC[N@@H+](CCC#N)[C@@H]1CCCc2ccc(Br)cc21 ZINC000428861076 1057025877 /nfs/dbraw/zinc/02/58/77/1057025877.db2.gz OPGMZTLEUHDYDB-MRXNPFEDSA-N 1 2 319.246 4.228 20 30 DIEDLO C=CC[N@H+](CCC#N)[C@@H]1CCCc2ccc(Br)cc21 ZINC000428861076 1057025878 /nfs/dbraw/zinc/02/58/78/1057025878.db2.gz OPGMZTLEUHDYDB-MRXNPFEDSA-N 1 2 319.246 4.228 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)o1 ZINC000154266247 1057027626 /nfs/dbraw/zinc/02/76/26/1057027626.db2.gz PAYINULPWGCDIT-IBGZPJMESA-N 1 2 306.340 4.170 20 30 DIEDLO N#CC1(c2cc[nH+]c(NCCc3ccc4ccccc4c3)c2)CC1 ZINC001168733271 1057052202 /nfs/dbraw/zinc/05/22/02/1057052202.db2.gz HEPLRWBQSCZMQZ-UHFFFAOYSA-N 1 2 313.404 4.445 20 30 DIEDLO CCCCCCCc1ccc(-c2noc(Cn3cc[nH+]c3)n2)cc1 ZINC001212537306 1057347024 /nfs/dbraw/zinc/34/70/24/1057347024.db2.gz IWUZCXFXDMLFQN-UHFFFAOYSA-N 1 2 324.428 4.494 20 30 DIEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1cc(Cl)cc(C#N)c1 ZINC001242571524 1057409172 /nfs/dbraw/zinc/40/91/72/1057409172.db2.gz RLPUAXVJQLIRFL-UHFFFAOYSA-N 1 2 309.756 4.073 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(F)c(Cl)c(F)c2)cc1C#N ZINC001242796494 1057479216 /nfs/dbraw/zinc/47/92/16/1057479216.db2.gz RIZGCUNWDLEDBK-ZVBGSRNCSA-N 1 2 319.742 4.378 20 30 DIEDLO C#CC[N@@H+](Cc1csc([C@H](C)OCC)n1)C1CCCCC1 ZINC000076723051 1057555670 /nfs/dbraw/zinc/55/56/70/1057555670.db2.gz NJCJXOWJAGMBAX-AWEZNQCLSA-N 1 2 306.475 4.009 20 30 DIEDLO C#CC[N@H+](Cc1csc([C@H](C)OCC)n1)C1CCCCC1 ZINC000076723051 1057555676 /nfs/dbraw/zinc/55/56/76/1057555676.db2.gz NJCJXOWJAGMBAX-AWEZNQCLSA-N 1 2 306.475 4.009 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1cccc(C#N)c1 ZINC000611389388 1057594161 /nfs/dbraw/zinc/59/41/61/1057594161.db2.gz VGYAQSPTRDTAHA-CQSZACIVSA-N 1 2 303.365 4.064 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1cccc(C#N)c1 ZINC000611387194 1057594236 /nfs/dbraw/zinc/59/42/36/1057594236.db2.gz GXKUEZJGEWTUSE-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccc(C#N)c1 ZINC000611387163 1057594582 /nfs/dbraw/zinc/59/45/82/1057594582.db2.gz ZZAKKLJYASVBQL-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO CC(C)c1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1O ZINC001243258191 1057622751 /nfs/dbraw/zinc/62/27/51/1057622751.db2.gz OFQRNVLRUVCHGP-CIAFOILYSA-N 1 2 307.397 4.276 20 30 DIEDLO CCc1oc2ccccc2c1C=NNc1cc[nH+]c2ccccc12 ZINC000730148062 1057704323 /nfs/dbraw/zinc/70/43/23/1057704323.db2.gz NCTJLRLZICZSHT-UHFFFAOYSA-N 1 2 315.376 4.411 20 30 DIEDLO CC(C)(C#N)c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001243656248 1057745781 /nfs/dbraw/zinc/74/57/81/1057745781.db2.gz AHYONGPVGGIZRY-UHFFFAOYSA-N 1 2 301.393 4.400 20 30 DIEDLO N#Cc1ccc2cc(-c3ccc(Cn4cc[nH+]c4)cc3)ccc2n1 ZINC001243662898 1057748564 /nfs/dbraw/zinc/74/85/64/1057748564.db2.gz QEANARXCHAIUHQ-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO Cc1ccccc1C(=NNc1cc[nH+]c2ccccc12)C1CC1 ZINC000731927636 1057760938 /nfs/dbraw/zinc/76/09/38/1057760938.db2.gz LRQNEOMPVNXZQT-UHFFFAOYSA-N 1 2 301.393 4.191 20 30 DIEDLO COc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(C)c1C ZINC001244003820 1057835824 /nfs/dbraw/zinc/83/58/24/1057835824.db2.gz YQZFWAGRTMDSDG-CIAFOILYSA-N 1 2 307.397 4.072 20 30 DIEDLO CC(C)(C#N)c1ccc(-c2c[nH+]cn2Cc2ccccc2)cc1 ZINC001245196581 1058126489 /nfs/dbraw/zinc/12/64/89/1058126489.db2.gz HFYNYFBUQBCXDH-UHFFFAOYSA-N 1 2 301.393 4.400 20 30 DIEDLO CCCCCCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001517668329 1058277793 /nfs/dbraw/zinc/27/77/93/1058277793.db2.gz PYZUDVCXVBECMD-UHFFFAOYSA-N 1 2 301.434 4.205 20 30 DIEDLO CCCCCCCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001558212024 1058851021 /nfs/dbraw/zinc/85/10/21/1058851021.db2.gz MSMPOPWVMYLKGS-GOSISDBHSA-N 1 2 320.452 4.049 20 30 DIEDLO Cc1cc(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)ncc1C#N ZINC001559150006 1059035499 /nfs/dbraw/zinc/03/54/99/1059035499.db2.gz HWYFKCKOBZMYJL-HNNXBMFYSA-N 1 2 321.428 4.088 20 30 DIEDLO Cc1cc(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)ncc1C#N ZINC001559150007 1059037113 /nfs/dbraw/zinc/03/71/13/1059037113.db2.gz HWYFKCKOBZMYJL-OAHLLOKOSA-N 1 2 321.428 4.088 20 30 DIEDLO COc1ccccc1Cc1cn(CCCCC2(C#N)CCC2)c[nH+]1 ZINC001559479285 1059254425 /nfs/dbraw/zinc/25/44/25/1059254425.db2.gz YZUWRFLMJBSTLB-UHFFFAOYSA-N 1 2 323.440 4.347 20 30 DIEDLO CCCCCCCc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247543378 1059527959 /nfs/dbraw/zinc/52/79/59/1059527959.db2.gz QYOPWBINYIUMSR-UHFFFAOYSA-N 1 2 310.401 4.435 20 30 DIEDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)CC1(C)C ZINC001559733252 1059566628 /nfs/dbraw/zinc/56/66/28/1059566628.db2.gz HNBXYAWKXYGLQF-LBPRGKRZSA-N 1 2 321.262 4.189 20 30 DIEDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)CC1(C)C ZINC001559733252 1059566612 /nfs/dbraw/zinc/56/66/12/1059566612.db2.gz HNBXYAWKXYGLQF-LBPRGKRZSA-N 1 2 321.262 4.189 20 30 DIEDLO C=CCCNC(=S)Nc1ccc(Oc2cc[nH+]c(C)c2)cc1 ZINC001247655661 1059589363 /nfs/dbraw/zinc/58/93/63/1059589363.db2.gz UEQYLZXBEVMFOT-UHFFFAOYSA-N 1 2 313.426 4.045 20 30 DIEDLO C=C(Br)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC001559802943 1059638591 /nfs/dbraw/zinc/63/85/91/1059638591.db2.gz QHESUOHIDJFVSD-UHFFFAOYSA-N 1 2 312.638 4.338 20 30 DIEDLO C=C(Br)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC001559802943 1059638605 /nfs/dbraw/zinc/63/86/05/1059638605.db2.gz QHESUOHIDJFVSD-UHFFFAOYSA-N 1 2 312.638 4.338 20 30 DIEDLO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)c1ccc(C#N)cc1 ZINC001559944784 1059756544 /nfs/dbraw/zinc/75/65/44/1059756544.db2.gz AFPYLCZJGDDKHV-BEFAXECRSA-N 1 2 317.392 4.181 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2sc(Cl)cc2C1 ZINC001559942230 1059757991 /nfs/dbraw/zinc/75/79/91/1059757991.db2.gz PDPQRJDNGKFHDW-LLVKDONJSA-N 1 2 302.830 4.392 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2sc(Cl)cc2C1 ZINC001559942230 1059758006 /nfs/dbraw/zinc/75/80/06/1059758006.db2.gz PDPQRJDNGKFHDW-LLVKDONJSA-N 1 2 302.830 4.392 20 30 DIEDLO C[C@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)c1ccc(C#N)cc1 ZINC001559944786 1059759180 /nfs/dbraw/zinc/75/91/80/1059759180.db2.gz AFPYLCZJGDDKHV-HNAYVOBHSA-N 1 2 317.392 4.181 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cccc(Oc2ccccc2OC)c1 ZINC001248758818 1059969432 /nfs/dbraw/zinc/96/94/32/1059969432.db2.gz CKTKJNSKJXHUFX-UHFFFAOYSA-N 1 2 310.397 4.223 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cccc(Oc2ccccc2OC)c1 ZINC001248758818 1059969443 /nfs/dbraw/zinc/96/94/43/1059969443.db2.gz CKTKJNSKJXHUFX-UHFFFAOYSA-N 1 2 310.397 4.223 20 30 DIEDLO C=C(CC)C[N@@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001560187539 1059970496 /nfs/dbraw/zinc/97/04/96/1059970496.db2.gz LKGQQOLSIIBDCI-UHFFFAOYSA-N 1 2 314.654 4.427 20 30 DIEDLO C=C(CC)C[N@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001560187539 1059970527 /nfs/dbraw/zinc/97/05/27/1059970527.db2.gz LKGQQOLSIIBDCI-UHFFFAOYSA-N 1 2 314.654 4.427 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1Cl ZINC001248812740 1059993914 /nfs/dbraw/zinc/99/39/14/1059993914.db2.gz UBLHQANMORPATM-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1Cl ZINC001248812740 1059993921 /nfs/dbraw/zinc/99/39/21/1059993921.db2.gz UBLHQANMORPATM-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@](C)(C#N)C2)cc1Cl ZINC001248885352 1060040479 /nfs/dbraw/zinc/04/04/79/1060040479.db2.gz UAEVNOZGONIRLI-QGZVFWFLSA-N 1 2 306.837 4.079 20 30 DIEDLO CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@](C)(C#N)C2)cc1Cl ZINC001248885352 1060040502 /nfs/dbraw/zinc/04/05/02/1060040502.db2.gz UAEVNOZGONIRLI-QGZVFWFLSA-N 1 2 306.837 4.079 20 30 DIEDLO C=CCOc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1OC ZINC001560531919 1060334597 /nfs/dbraw/zinc/33/45/97/1060334597.db2.gz QAOWFACEXMCQHP-UHFFFAOYSA-N 1 2 324.424 4.146 20 30 DIEDLO CC(C)Oc1cc(F)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)c1 ZINC001250148106 1060645713 /nfs/dbraw/zinc/64/57/13/1060645713.db2.gz OAXXWRKSCWMBSG-ZSOGYDGISA-N 1 2 320.383 4.019 20 30 DIEDLO CC(C)Oc1cc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)c1 ZINC001250148106 1060645720 /nfs/dbraw/zinc/64/57/20/1060645720.db2.gz OAXXWRKSCWMBSG-ZSOGYDGISA-N 1 2 320.383 4.019 20 30 DIEDLO CC(C)Oc1c(F)cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001250297752 1060763384 /nfs/dbraw/zinc/76/33/84/1060763384.db2.gz TWLBPAZWCTWHGL-ZDUSSCGKSA-N 1 2 324.827 4.392 20 30 DIEDLO CC(C)Oc1c(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001250297752 1060763394 /nfs/dbraw/zinc/76/33/94/1060763394.db2.gz TWLBPAZWCTWHGL-ZDUSSCGKSA-N 1 2 324.827 4.392 20 30 DIEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCC ZINC001560967394 1060833721 /nfs/dbraw/zinc/83/37/21/1060833721.db2.gz GJXLNAIKMZGZPW-OAHLLOKOSA-N 1 2 313.869 4.153 20 30 DIEDLO Cc1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1C#N ZINC001561002268 1060863119 /nfs/dbraw/zinc/86/31/19/1060863119.db2.gz BJBJZOLEEXRWIS-GOSISDBHSA-N 1 2 314.379 4.223 20 30 DIEDLO CCCOc1ccc2[nH+]c(CCc3cccc(C#N)c3)n(C)c2c1 ZINC001250581537 1060914603 /nfs/dbraw/zinc/91/46/03/1060914603.db2.gz DPJOAAYVKSMMKC-UHFFFAOYSA-N 1 2 319.408 4.019 20 30 DIEDLO C=CCC1(C[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CCCC1 ZINC001462230193 1061043651 /nfs/dbraw/zinc/04/36/51/1061043651.db2.gz HZVJLZXEIMVQLU-MRXNPFEDSA-N 1 2 302.466 4.152 20 30 DIEDLO N#Cc1ccnc(C[N@H+]2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001473474133 1061180147 /nfs/dbraw/zinc/18/01/47/1061180147.db2.gz XXRXRCFZVHFHML-SFHVURJKSA-N 1 2 311.816 4.334 20 30 DIEDLO N#Cc1ccnc(C[N@@H+]2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001473474133 1061180153 /nfs/dbraw/zinc/18/01/53/1061180153.db2.gz XXRXRCFZVHFHML-SFHVURJKSA-N 1 2 311.816 4.334 20 30 DIEDLO CCCCCC[N@H+](Cc1ccc(C)o1)Cc1ccncc1C#N ZINC001473812877 1061420880 /nfs/dbraw/zinc/42/08/80/1061420880.db2.gz QJNHKGXTYPFKJR-UHFFFAOYSA-N 1 2 311.429 4.437 20 30 DIEDLO CCCCCC[N@@H+](Cc1ccc(C)o1)Cc1ccncc1C#N ZINC001473812877 1061420891 /nfs/dbraw/zinc/42/08/91/1061420891.db2.gz QJNHKGXTYPFKJR-UHFFFAOYSA-N 1 2 311.429 4.437 20 30 DIEDLO Cc1cc(C#N)cc(C)c1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC001473947515 1061490175 /nfs/dbraw/zinc/49/01/75/1061490175.db2.gz DKFDNFPAJVNOTJ-UHFFFAOYSA-N 1 2 320.440 4.173 20 30 DIEDLO C=CCCC[C@@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001546145088 1061565161 /nfs/dbraw/zinc/56/51/61/1061565161.db2.gz BAAPGITXKHMJNR-OAHLLOKOSA-N 1 2 322.880 4.023 20 30 DIEDLO C=CCCC[C@@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001546145088 1061565179 /nfs/dbraw/zinc/56/51/79/1061565179.db2.gz BAAPGITXKHMJNR-OAHLLOKOSA-N 1 2 322.880 4.023 20 30 DIEDLO C=CCC[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC001458136280 1061591916 /nfs/dbraw/zinc/59/19/16/1061591916.db2.gz RUDCVBJBPVOXQH-SFHVURJKSA-N 1 2 319.408 4.080 20 30 DIEDLO Cc1cc(C#N)cc(C)c1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001474058698 1061604461 /nfs/dbraw/zinc/60/44/61/1061604461.db2.gz XEVUSLFARDYQJU-UHFFFAOYSA-N 1 2 320.371 4.112 20 30 DIEDLO C=CCOc1cccc(CNc2c[nH+]ccc2OC(C)(C)C)c1 ZINC001474097842 1061642417 /nfs/dbraw/zinc/64/24/17/1061642417.db2.gz MAJIKGFKLGYZOW-UHFFFAOYSA-N 1 2 312.413 4.436 20 30 DIEDLO CCCCCCCCCC[C@@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001252980097 1061770680 /nfs/dbraw/zinc/77/06/80/1061770680.db2.gz QEBVLPZFKZXBTP-SJLPKXTDSA-N 1 2 322.493 4.439 20 30 DIEDLO CN(C)c1[nH+]cc(CSc2cccc(C#N)c2)c2ccccc21 ZINC001458977707 1061962838 /nfs/dbraw/zinc/96/28/38/1061962838.db2.gz HETGYOVNXVYTDY-UHFFFAOYSA-N 1 2 319.433 4.465 20 30 DIEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC001255164840 1062349505 /nfs/dbraw/zinc/34/95/05/1062349505.db2.gz OUSBXFDZHIQAPW-DOMZBBRYSA-N 1 2 307.235 4.278 20 30 DIEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001255164840 1062349526 /nfs/dbraw/zinc/34/95/26/1062349526.db2.gz OUSBXFDZHIQAPW-DOMZBBRYSA-N 1 2 307.235 4.278 20 30 DIEDLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@H](C#N)C1 ZINC001474704074 1062428874 /nfs/dbraw/zinc/42/88/74/1062428874.db2.gz JWRPDWMQWAJSIR-KADHNRKRSA-N 1 2 308.347 4.344 20 30 DIEDLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CCC[C@H](C#N)C1 ZINC001474704074 1062428886 /nfs/dbraw/zinc/42/88/86/1062428886.db2.gz JWRPDWMQWAJSIR-KADHNRKRSA-N 1 2 308.347 4.344 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1nccc(Cl)c1Cl)c1ccccc1 ZINC001459848868 1062447593 /nfs/dbraw/zinc/44/75/93/1062447593.db2.gz JQISOLKGTJSPLF-CQSZACIVSA-N 1 2 305.208 4.243 20 30 DIEDLO CCCCCCCCCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC001476303448 1062627560 /nfs/dbraw/zinc/62/75/60/1062627560.db2.gz KTYZQUNSIGNFPE-UHFFFAOYSA-N 1 2 305.466 4.335 20 30 DIEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001256212766 1062749738 /nfs/dbraw/zinc/74/97/38/1062749738.db2.gz ISHCCNXYXDGJCV-XJKSGUPXSA-N 1 2 323.278 4.298 20 30 DIEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001256212762 1062750093 /nfs/dbraw/zinc/75/00/93/1062750093.db2.gz ISHCCNXYXDGJCV-BBRMVZONSA-N 1 2 323.278 4.298 20 30 DIEDLO CCCCCCCC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001470635371 1062827015 /nfs/dbraw/zinc/82/70/15/1062827015.db2.gz VOQLVSUVRCYKNH-KRWDZBQOSA-N 1 2 322.880 4.173 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256460444 1062830851 /nfs/dbraw/zinc/83/08/51/1062830851.db2.gz CXAJCPDSKGROKM-DZGCQCFKSA-N 1 2 322.424 4.061 20 30 DIEDLO FC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001460659210 1062967791 /nfs/dbraw/zinc/96/77/91/1062967791.db2.gz OFTBLYNYHDQZKI-QGZVFWFLSA-N 1 2 305.755 4.131 20 30 DIEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001460724471 1063017660 /nfs/dbraw/zinc/01/76/60/1063017660.db2.gz KCKXWVHKCWMUAP-GFCCVEGCSA-N 1 2 314.791 4.470 20 30 DIEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001460724471 1063017684 /nfs/dbraw/zinc/01/76/84/1063017684.db2.gz KCKXWVHKCWMUAP-GFCCVEGCSA-N 1 2 314.791 4.470 20 30 DIEDLO N#CC1CCC([N@H+]2CC[C@H](c3ccccc3)C(F)(F)C2)CC1 ZINC001256971158 1063066590 /nfs/dbraw/zinc/06/65/90/1063066590.db2.gz KGLMZRPHBPUCAE-BDVYOWHSSA-N 1 2 304.384 4.194 20 30 DIEDLO N#CC1CCC([N@@H+]2CC[C@H](c3ccccc3)C(F)(F)C2)CC1 ZINC001256971158 1063066608 /nfs/dbraw/zinc/06/66/08/1063066608.db2.gz KGLMZRPHBPUCAE-BDVYOWHSSA-N 1 2 304.384 4.194 20 30 DIEDLO N#Cc1ccc([N+](=O)[O-])c(Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC001472639928 1063114330 /nfs/dbraw/zinc/11/43/30/1063114330.db2.gz KGDJEOILJJPUDT-UHFFFAOYSA-N 1 2 322.368 4.200 20 30 DIEDLO CCC(C)(C)C1CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001257408273 1063257767 /nfs/dbraw/zinc/25/77/67/1063257767.db2.gz RTGCCGAVUCLCET-GPANFISMSA-N 1 2 307.503 4.256 20 30 DIEDLO CCC(C)(C)C1CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001257408273 1063257787 /nfs/dbraw/zinc/25/77/87/1063257787.db2.gz RTGCCGAVUCLCET-GPANFISMSA-N 1 2 307.503 4.256 20 30 DIEDLO C=CCCC1(CNC(=O)NCc2c[nH+]c(C)cc2C)CCCC1 ZINC001478813922 1063299391 /nfs/dbraw/zinc/29/93/91/1063299391.db2.gz GAJSWMHATZHJNP-UHFFFAOYSA-N 1 2 315.461 4.024 20 30 DIEDLO CC(C)C[C@](C)(C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257828664 1063395775 /nfs/dbraw/zinc/39/57/75/1063395775.db2.gz OLZWWXTXQOMHMH-SOAGJPPSSA-N 1 2 314.473 4.432 20 30 DIEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCC=C(C)C ZINC001258076993 1063501923 /nfs/dbraw/zinc/50/19/23/1063501923.db2.gz VCFBBWWEXHFFQX-HKUYNNGSSA-N 1 2 315.457 4.051 20 30 DIEDLO C=CCOc1cccc(C[NH2+][C@H](CF)c2ccc(F)cc2)c1 ZINC001461700157 1063665808 /nfs/dbraw/zinc/66/58/08/1063665808.db2.gz RVPSXTIFOPZHMA-GOSISDBHSA-N 1 2 303.352 4.191 20 30 DIEDLO Cc1c2ccccc2oc1C(=O)/C=C\c1ccc[nH+]c1N(C)C ZINC001258512944 1063677604 /nfs/dbraw/zinc/67/76/04/1063677604.db2.gz PGMFIZDCRCFYGI-KHPPLWFESA-N 1 2 306.365 4.098 20 30 DIEDLO CC[N@H+](Cc1ccc(C#N)c(C)c1)Cc1c(F)cccc1F ZINC001461840818 1063742754 /nfs/dbraw/zinc/74/27/54/1063742754.db2.gz BUBIZLHKMNNMPX-UHFFFAOYSA-N 1 2 300.352 4.167 20 30 DIEDLO CC[N@@H+](Cc1ccc(C#N)c(C)c1)Cc1c(F)cccc1F ZINC001461840818 1063742768 /nfs/dbraw/zinc/74/27/68/1063742768.db2.gz BUBIZLHKMNNMPX-UHFFFAOYSA-N 1 2 300.352 4.167 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2ccc(F)c(F)c2n1 ZINC001461903057 1063788825 /nfs/dbraw/zinc/78/88/25/1063788825.db2.gz YIHRJUWINAMJTM-UHFFFAOYSA-N 1 2 317.383 4.275 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2ccc(F)c(F)c2n1 ZINC001461903057 1063788839 /nfs/dbraw/zinc/78/88/39/1063788839.db2.gz YIHRJUWINAMJTM-UHFFFAOYSA-N 1 2 317.383 4.275 20 30 DIEDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000615226229 1064248060 /nfs/dbraw/zinc/24/80/60/1064248060.db2.gz ULJDIVTZQVKLGJ-CYBMUJFWSA-N 1 2 312.800 4.167 20 30 DIEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000615226229 1064248070 /nfs/dbraw/zinc/24/80/70/1064248070.db2.gz ULJDIVTZQVKLGJ-CYBMUJFWSA-N 1 2 312.800 4.167 20 30 DIEDLO C=CCCC[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001288364298 1064535119 /nfs/dbraw/zinc/53/51/19/1064535119.db2.gz LDAHOWQNDIRMGV-KRWDZBQOSA-N 1 2 319.408 4.162 20 30 DIEDLO C=CC[C@@H]1N(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCC1(C)C ZINC001297187211 1064973501 /nfs/dbraw/zinc/97/35/01/1064973501.db2.gz ZAPFFGMMHUSLRH-IRXDYDNUSA-N 1 2 317.477 4.064 20 30 DIEDLO Cc1cc(CNc2cc(C(F)(F)F)c(F)cc2C#N)cc(C)[nH+]1 ZINC001307147226 1065284590 /nfs/dbraw/zinc/28/45/90/1065284590.db2.gz VVDNSXQTOFEVLZ-UHFFFAOYSA-N 1 2 323.293 4.340 20 30 DIEDLO C#CC[N@H+](Cc1cc(C(F)(F)F)co1)Cc1ccc(F)cc1 ZINC001307445252 1065405468 /nfs/dbraw/zinc/40/54/68/1065405468.db2.gz WUAUIKCXLXCKIO-UHFFFAOYSA-N 1 2 311.278 4.073 20 30 DIEDLO C#CC[N@@H+](Cc1cc(C(F)(F)F)co1)Cc1ccc(F)cc1 ZINC001307445252 1065405471 /nfs/dbraw/zinc/40/54/71/1065405471.db2.gz WUAUIKCXLXCKIO-UHFFFAOYSA-N 1 2 311.278 4.073 20 30 DIEDLO Cc1cc(F)cc2c1C[N@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001307715926 1065581873 /nfs/dbraw/zinc/58/18/73/1065581873.db2.gz PFFCCSHWJZXGFQ-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO Cc1cc(F)cc2c1C[N@@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001307715926 1065581878 /nfs/dbraw/zinc/58/18/78/1065581878.db2.gz PFFCCSHWJZXGFQ-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001307853733 1065653901 /nfs/dbraw/zinc/65/39/01/1065653901.db2.gz MURFDHUKHKEXTQ-ZDUSSCGKSA-N 1 2 314.654 4.209 20 30 DIEDLO C=C(Cl)C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001307853733 1065653906 /nfs/dbraw/zinc/65/39/06/1065653906.db2.gz MURFDHUKHKEXTQ-ZDUSSCGKSA-N 1 2 314.654 4.209 20 30 DIEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccccc1Cl ZINC001308182099 1065793339 /nfs/dbraw/zinc/79/33/39/1065793339.db2.gz HNAVPDMMPHFWIG-UHFFFAOYSA-N 1 2 320.219 4.295 20 30 DIEDLO C=CCCC[N@@H+](CC)Cc1cc(Br)cc(F)c1O ZINC001308968964 1066424679 /nfs/dbraw/zinc/42/46/79/1066424679.db2.gz LJGRVZODWSUKRX-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO C=CCCC[N@H+](CC)Cc1cc(Br)cc(F)c1O ZINC001308968964 1066424684 /nfs/dbraw/zinc/42/46/84/1066424684.db2.gz LJGRVZODWSUKRX-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO Cc1ccc(CCCNc2cccc(OCCCC#N)c2)c[nH+]1 ZINC000353795399 334995285 /nfs/dbraw/zinc/99/52/85/334995285.db2.gz VXNLBTDXGDDCRL-UHFFFAOYSA-N 1 2 309.413 4.117 20 30 DIEDLO C=CCC[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccco1 ZINC000287342730 335045337 /nfs/dbraw/zinc/04/53/37/335045337.db2.gz GLJNXMGVBAXWFM-MRXNPFEDSA-N 1 2 318.417 4.380 20 30 DIEDLO Cc1ccc(C2CCN(c3c(Cl)cccc3C#N)CC2)c[nH+]1 ZINC000340780285 132187837 /nfs/dbraw/zinc/18/78/37/132187837.db2.gz NYZBIGYXMGQGLR-UHFFFAOYSA-N 1 2 311.816 4.299 20 30 DIEDLO CC(C)Cn1cc[nH+]c1CNc1cc(C#N)ccc1C(F)(F)F ZINC000136954481 335085681 /nfs/dbraw/zinc/08/56/81/335085681.db2.gz MBMZMCYSMXUOLR-UHFFFAOYSA-N 1 2 322.334 4.042 20 30 DIEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000136954439 335085707 /nfs/dbraw/zinc/08/57/07/335085707.db2.gz XJBSJTIEBSIVCX-UHFFFAOYSA-N 1 2 322.334 4.042 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)s1 ZINC000557770024 331814993 /nfs/dbraw/zinc/81/49/93/331814993.db2.gz GEUFJZXXYLNHQV-SFHVURJKSA-N 1 2 323.396 4.033 20 30 DIEDLO Cc1ccc([NH2+]CC(C)(C)CCC#N)c(OC[C@@H]2CCCO2)c1 ZINC000092127455 332119859 /nfs/dbraw/zinc/11/98/59/332119859.db2.gz RDYMJQOEZWRTQF-INIZCTEOSA-N 1 2 316.445 4.295 20 30 DIEDLO C=C(C)C[N@@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000181251191 332188144 /nfs/dbraw/zinc/18/81/44/332188144.db2.gz ZSSSGUGRASAJOU-UHFFFAOYSA-N 1 2 302.443 4.038 20 30 DIEDLO C=C(C)C[N@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000181251191 332188146 /nfs/dbraw/zinc/18/81/46/332188146.db2.gz ZSSSGUGRASAJOU-UHFFFAOYSA-N 1 2 302.443 4.038 20 30 DIEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000560277107 332326259 /nfs/dbraw/zinc/32/62/59/332326259.db2.gz OFQOLCTYAUIARO-HZPDHXFCSA-N 1 2 300.446 4.201 20 30 DIEDLO CC#CC[N@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000293242518 335102540 /nfs/dbraw/zinc/10/25/40/335102540.db2.gz SVJKXTAYPPQQMU-SNVBAGLBSA-N 1 2 324.211 4.060 20 30 DIEDLO CC#CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000293242518 335102541 /nfs/dbraw/zinc/10/25/41/335102541.db2.gz SVJKXTAYPPQQMU-SNVBAGLBSA-N 1 2 324.211 4.060 20 30 DIEDLO Cc1cc(NCc2ccc(N(C)CCC#N)cc2)ccc1[NH+](C)C ZINC000120166427 332384106 /nfs/dbraw/zinc/38/41/06/332384106.db2.gz OVKXOCXVENITTR-UHFFFAOYSA-N 1 2 322.456 4.023 20 30 DIEDLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000428871730 332444467 /nfs/dbraw/zinc/44/44/67/332444467.db2.gz JXLALGVPKQRIGT-CQSZACIVSA-N 1 2 303.365 4.064 20 30 DIEDLO N#Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCCCC3)[nH+]c1)CC2 ZINC000562909598 332639896 /nfs/dbraw/zinc/63/98/96/332639896.db2.gz MWHAEWFWYPYVEK-IBGZPJMESA-N 1 2 318.424 4.043 20 30 DIEDLO CC(C)c1ccc(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)cc1 ZINC000171539392 333050446 /nfs/dbraw/zinc/05/04/46/333050446.db2.gz KYHSFVWOTJNBCW-BQYQJAHWSA-N 1 2 322.330 4.465 20 30 DIEDLO N#CC1CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000186888130 333224284 /nfs/dbraw/zinc/22/42/84/333224284.db2.gz WUURXDTXFLSIJU-UHFFFAOYSA-N 1 2 317.845 4.199 20 30 DIEDLO C[C@H](C[N@H+](CCC#N)Cc1ccccn1)c1cccc(Cl)c1 ZINC000187182016 333228562 /nfs/dbraw/zinc/22/85/62/333228562.db2.gz PTVSDXSSYYCDRH-OAHLLOKOSA-N 1 2 313.832 4.254 20 30 DIEDLO C[C@H](C[N@@H+](CCC#N)Cc1ccccn1)c1cccc(Cl)c1 ZINC000187182016 333228563 /nfs/dbraw/zinc/22/85/63/333228563.db2.gz PTVSDXSSYYCDRH-OAHLLOKOSA-N 1 2 313.832 4.254 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1sccc1Cl ZINC000192757247 333292533 /nfs/dbraw/zinc/29/25/33/333292533.db2.gz WPARNQFZRAZNMQ-UHFFFAOYSA-N 1 2 307.806 4.091 20 30 DIEDLO Cc1cc(OCCCC2(C#N)CCOCC2)c2cccc(C)c2[nH+]1 ZINC000499976169 333321461 /nfs/dbraw/zinc/32/14/61/333321461.db2.gz CHRIEXPZACOOPP-UHFFFAOYSA-N 1 2 324.424 4.331 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000364859335 333332468 /nfs/dbraw/zinc/33/24/68/333332468.db2.gz LMMIONDNIZRODV-ROUUACIJSA-N 1 2 311.816 4.007 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000364859335 333332469 /nfs/dbraw/zinc/33/24/69/333332469.db2.gz LMMIONDNIZRODV-ROUUACIJSA-N 1 2 311.816 4.007 20 30 DIEDLO CCC[N@@H+](CC#N)CC/C=C\c1ccc(Br)cc1 ZINC000522775592 333388918 /nfs/dbraw/zinc/38/89/18/333388918.db2.gz HGEGUBNWOWDNJK-HYXAFXHYSA-N 1 2 307.235 4.088 20 30 DIEDLO CCC[N@H+](CC#N)CC/C=C\c1ccc(Br)cc1 ZINC000522775592 333388919 /nfs/dbraw/zinc/38/89/19/333388919.db2.gz HGEGUBNWOWDNJK-HYXAFXHYSA-N 1 2 307.235 4.088 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000271130676 334018894 /nfs/dbraw/zinc/01/88/94/334018894.db2.gz NZMZJJRCVCRQTJ-GFCCVEGCSA-N 1 2 311.410 4.148 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000271130676 334018896 /nfs/dbraw/zinc/01/88/96/334018896.db2.gz NZMZJJRCVCRQTJ-GFCCVEGCSA-N 1 2 311.410 4.148 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000343545622 335171075 /nfs/dbraw/zinc/17/10/75/335171075.db2.gz YYPXDHJZLDVJAL-AEFFLSMTSA-N 1 2 323.465 4.292 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000343545622 335171076 /nfs/dbraw/zinc/17/10/76/335171076.db2.gz YYPXDHJZLDVJAL-AEFFLSMTSA-N 1 2 323.465 4.292 20 30 DIEDLO N#C[C@H]1CCC[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000278377279 334095663 /nfs/dbraw/zinc/09/56/63/334095663.db2.gz CUHNZWZFAYXMGG-DOTOQJQBSA-N 1 2 318.424 4.096 20 30 DIEDLO N#C[C@H]1CCC[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000278377283 334095669 /nfs/dbraw/zinc/09/56/69/334095669.db2.gz CUHNZWZFAYXMGG-RDJZCZTQSA-N 1 2 318.424 4.096 20 30 DIEDLO Cc1cc(OCCCC2(C#N)CCOCC2)c2ccccc2[nH+]1 ZINC000281316734 334124999 /nfs/dbraw/zinc/12/49/99/334124999.db2.gz KXGQPKVMFYUVRN-UHFFFAOYSA-N 1 2 310.397 4.023 20 30 DIEDLO N#CC1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000282210458 334132546 /nfs/dbraw/zinc/13/25/46/334132546.db2.gz DHEKFMQSVQIPQC-UHFFFAOYSA-N 1 2 313.228 4.119 20 30 DIEDLO C=CC[N@@H+](Cc1cn(C(C)C)nc1C)Cc1ccccc1F ZINC000343565765 335178059 /nfs/dbraw/zinc/17/80/59/335178059.db2.gz HXJYCCQTWJOUGK-UHFFFAOYSA-N 1 2 301.409 4.100 20 30 DIEDLO C=CC[N@H+](Cc1cn(C(C)C)nc1C)Cc1ccccc1F ZINC000343565765 335178061 /nfs/dbraw/zinc/17/80/61/335178061.db2.gz HXJYCCQTWJOUGK-UHFFFAOYSA-N 1 2 301.409 4.100 20 30 DIEDLO Cc1cc[nH+]cc1CCCNc1cccc(OCCCC#N)c1 ZINC000289333844 334164424 /nfs/dbraw/zinc/16/44/24/334164424.db2.gz VFORRJCABDBJOC-UHFFFAOYSA-N 1 2 309.413 4.117 20 30 DIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1Cl ZINC000439423244 334177102 /nfs/dbraw/zinc/17/71/02/334177102.db2.gz PDDQSHNEXQTIHZ-UHFFFAOYSA-N 1 2 321.811 4.272 20 30 DIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1Cl ZINC000439423244 334177105 /nfs/dbraw/zinc/17/71/05/334177105.db2.gz PDDQSHNEXQTIHZ-UHFFFAOYSA-N 1 2 321.811 4.272 20 30 DIEDLO C=C1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000342000090 334499752 /nfs/dbraw/zinc/49/97/52/334499752.db2.gz YSQJHGYNPAQTQZ-UHFFFAOYSA-N 1 2 324.211 4.195 20 30 DIEDLO Cc1ccc(C[C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)s1 ZINC000331249067 334850990 /nfs/dbraw/zinc/85/09/90/334850990.db2.gz XHTHSPKREVQBRH-LBPRGKRZSA-N 1 2 317.458 4.334 20 30 DIEDLO CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000329955373 336099491 /nfs/dbraw/zinc/09/94/91/336099491.db2.gz OZSQURMDVFTZCN-MRXNPFEDSA-N 1 2 315.417 4.359 20 30 DIEDLO N#Cc1ccc2[nH+]cc(CNc3csc4ccccc34)n2c1 ZINC000352083414 336193925 /nfs/dbraw/zinc/19/39/25/336193925.db2.gz OCSZEZBQSCPJHQ-UHFFFAOYSA-N 1 2 304.378 4.033 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1c(Cl)cccc1Cl ZINC000029723889 336218988 /nfs/dbraw/zinc/21/89/88/336218988.db2.gz NSXRFDPKGSGYAC-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(Cl)cccc1Cl ZINC000029723889 336218989 /nfs/dbraw/zinc/21/89/89/336218989.db2.gz NSXRFDPKGSGYAC-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO N#Cc1csc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000352831914 336269727 /nfs/dbraw/zinc/26/97/27/336269727.db2.gz DMEHQSLRILMZDE-UHFFFAOYSA-N 1 2 324.236 4.100 20 30 DIEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc(Cl)ccc1Cl ZINC000352835512 336272040 /nfs/dbraw/zinc/27/20/40/336272040.db2.gz QACFUHZNSNWJCN-QMMMGPOBSA-N 1 2 312.225 4.172 20 30 DIEDLO N#Cc1csc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000352839338 336274384 /nfs/dbraw/zinc/27/43/84/336274384.db2.gz JPUCOCHTGFXHOA-GFCCVEGCSA-N 1 2 324.236 4.099 20 30 DIEDLO N#Cc1cccc(Cl)c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301336400 336301251 /nfs/dbraw/zinc/30/12/51/336301251.db2.gz CZWKDNHZHQMGIA-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO Cc1nc(N[C@H](CCC#N)c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302121943 336349617 /nfs/dbraw/zinc/34/96/17/336349617.db2.gz YGYWIKABJVFMNV-QGZVFWFLSA-N 1 2 306.413 4.121 20 30 DIEDLO C=C(C)[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc(F)c(F)c1 ZINC000302429478 336358750 /nfs/dbraw/zinc/35/87/50/336358750.db2.gz PLKLSVVXIMCVEV-MRXNPFEDSA-N 1 2 301.340 4.362 20 30 DIEDLO N#Cc1ccc(NCc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000302619496 336362850 /nfs/dbraw/zinc/36/28/50/336362850.db2.gz DFDJZNVAXBMBHJ-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO C=C(C)COc1cccc(NCc2c[nH+]c3c(C)cccn23)c1 ZINC000532887072 336393267 /nfs/dbraw/zinc/39/32/67/336393267.db2.gz JRTJTAMKGMQOAP-UHFFFAOYSA-N 1 2 307.397 4.210 20 30 DIEDLO N#CC1(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CCC1 ZINC000582774855 337145778 /nfs/dbraw/zinc/14/57/78/337145778.db2.gz CBJGRBJUPWEQCQ-UHFFFAOYSA-N 1 2 317.845 4.247 20 30 DIEDLO C#CCCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179758448 337171685 /nfs/dbraw/zinc/17/16/85/337171685.db2.gz IAYJLVUEYRXKEX-UHFFFAOYSA-N 1 2 321.424 4.019 20 30 DIEDLO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000184851582 337200527 /nfs/dbraw/zinc/20/05/27/337200527.db2.gz XBPHOCYMSLMQHZ-OAHLLOKOSA-N 1 2 320.367 4.183 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccccc1 ZINC000191461091 337297160 /nfs/dbraw/zinc/29/71/60/337297160.db2.gz MIVRNLBLHRVZPO-LJQANCHMSA-N 1 2 316.408 4.007 20 30 DIEDLO C=C(C)COc1cccc(NCc2c[nH+]c3ccc(C)cn23)c1 ZINC000532932051 337393743 /nfs/dbraw/zinc/39/37/43/337393743.db2.gz IDGSTOTZURARAQ-UHFFFAOYSA-N 1 2 307.397 4.210 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1ccc(C#N)cc1 ZINC000130213003 337432441 /nfs/dbraw/zinc/43/24/41/337432441.db2.gz CJUFXYIBPQVMHV-KGLIPLIRSA-N 1 2 318.380 4.020 20 30 DIEDLO N#Cc1c(F)cccc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000571832362 337578502 /nfs/dbraw/zinc/57/85/02/337578502.db2.gz FBCFICCGXKUWHI-UHFFFAOYSA-N 1 2 312.363 4.216 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(C2CC2)c1 ZINC000421809502 337647777 /nfs/dbraw/zinc/64/77/77/337647777.db2.gz BKCBTDXGQDDPRV-UHFFFAOYSA-N 1 2 307.397 4.254 20 30 DIEDLO N#Cc1c(F)cccc1C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000428308632 338046645 /nfs/dbraw/zinc/04/66/45/338046645.db2.gz ADSVUMFVJZSSBM-MRXNPFEDSA-N 1 2 322.305 4.481 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)c(F)c1 ZINC000428423480 338050930 /nfs/dbraw/zinc/05/09/30/338050930.db2.gz QMDRRFCAJAYBAX-SFHVURJKSA-N 1 2 316.326 4.383 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1oc(CC)nc1C)c1ccc(F)c(F)c1 ZINC000428427599 338050969 /nfs/dbraw/zinc/05/09/69/338050969.db2.gz SPJHTIPKGMRKCD-KRWDZBQOSA-N 1 2 306.356 4.231 20 30 DIEDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1C#N ZINC000428448228 338052036 /nfs/dbraw/zinc/05/20/36/338052036.db2.gz QWFUKAVIXKNTAK-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1C#N ZINC000428448228 338052037 /nfs/dbraw/zinc/05/20/37/338052037.db2.gz QWFUKAVIXKNTAK-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C=CC[N@@H+](Cc1oc(CCC)nc1C)Cc1ccccc1F ZINC000428471343 338054197 /nfs/dbraw/zinc/05/41/97/338054197.db2.gz XAFILYRPGPILNZ-UHFFFAOYSA-N 1 2 302.393 4.263 20 30 DIEDLO C=CC[N@H+](Cc1oc(CCC)nc1C)Cc1ccccc1F ZINC000428471343 338054198 /nfs/dbraw/zinc/05/41/98/338054198.db2.gz XAFILYRPGPILNZ-UHFFFAOYSA-N 1 2 302.393 4.263 20 30 DIEDLO C=CC[N@@H+](CCC#N)[C@@H](CC)c1ccc(Br)cc1 ZINC000428874299 338063957 /nfs/dbraw/zinc/06/39/57/338063957.db2.gz ZDWLUCRVOLUUGB-HNNXBMFYSA-N 1 2 307.235 4.302 20 30 DIEDLO C=CC[N@H+](CCC#N)[C@@H](CC)c1ccc(Br)cc1 ZINC000428874299 338063958 /nfs/dbraw/zinc/06/39/58/338063958.db2.gz ZDWLUCRVOLUUGB-HNNXBMFYSA-N 1 2 307.235 4.302 20 30 DIEDLO CSc1ccccc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428966448 338067067 /nfs/dbraw/zinc/06/70/67/338067067.db2.gz VNHGFIMTQJWLNP-UHFFFAOYSA-N 1 2 300.402 4.051 20 30 DIEDLO CSc1ccccc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428966448 338067068 /nfs/dbraw/zinc/06/70/68/338067068.db2.gz VNHGFIMTQJWLNP-UHFFFAOYSA-N 1 2 300.402 4.051 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC000430103983 338096932 /nfs/dbraw/zinc/09/69/32/338096932.db2.gz SOWURTAOTKTYCJ-UHFFFAOYSA-N 1 2 313.626 4.004 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC000430103983 338096933 /nfs/dbraw/zinc/09/69/33/338096933.db2.gz SOWURTAOTKTYCJ-UHFFFAOYSA-N 1 2 313.626 4.004 20 30 DIEDLO C=CCC(C)(C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000432001331 338143363 /nfs/dbraw/zinc/14/33/63/338143363.db2.gz QDFUGOLSXOWJKL-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO Cc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(C)[nH+]1 ZINC000433025916 338177053 /nfs/dbraw/zinc/17/70/53/338177053.db2.gz BWELJQAVLNKSRN-GOSISDBHSA-N 1 2 322.412 4.255 20 30 DIEDLO C=C[C@](C)(CC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436171291 338260442 /nfs/dbraw/zinc/26/04/42/338260442.db2.gz NPSUVTKSGAPZCR-HXUWFJFHSA-N 1 2 323.440 4.427 20 30 DIEDLO C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436171289 338260502 /nfs/dbraw/zinc/26/05/02/338260502.db2.gz NPSUVTKSGAPZCR-FQEVSTJZSA-N 1 2 323.440 4.427 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1c(F)cccc1F ZINC000439429651 338369080 /nfs/dbraw/zinc/36/90/80/338369080.db2.gz ISCRHHYPTZUOCS-SNVBAGLBSA-N 1 2 306.743 4.341 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nc(C)cs1 ZINC000439434349 338369242 /nfs/dbraw/zinc/36/92/42/338369242.db2.gz BVXNHAJMVSDQSJ-CQSZACIVSA-N 1 2 305.834 4.218 20 30 DIEDLO N#Cc1ccc(C[NH2+]C2(c3nccs3)CCCC2)c(Cl)c1 ZINC000439448460 338369817 /nfs/dbraw/zinc/36/98/17/338369817.db2.gz HBRIJKQTKHXUHQ-UHFFFAOYSA-N 1 2 317.845 4.227 20 30 DIEDLO CCCCn1cc[nH+]c1-c1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442867570 338436221 /nfs/dbraw/zinc/43/62/21/338436221.db2.gz ZCGOYKIJCHEMMU-MAUKXSAKSA-N 1 2 308.429 4.454 20 30 DIEDLO Cc1cc(Br)c(C[NH2+]CC(C)(C)C#N)cc1Cl ZINC000449240319 338605669 /nfs/dbraw/zinc/60/56/69/338605669.db2.gz NDDIVYRRLYAXKC-UHFFFAOYSA-N 1 2 315.642 4.050 20 30 DIEDLO N#CCCC[N@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459596010 339038002 /nfs/dbraw/zinc/03/80/02/339038002.db2.gz SHSSIGALLDRGRB-HNNXBMFYSA-N 1 2 302.809 4.047 20 30 DIEDLO N#CCCC[N@@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459596010 339038003 /nfs/dbraw/zinc/03/80/03/339038003.db2.gz SHSSIGALLDRGRB-HNNXBMFYSA-N 1 2 302.809 4.047 20 30 DIEDLO N#CCCC[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459596010 339038004 /nfs/dbraw/zinc/03/80/04/339038004.db2.gz SHSSIGALLDRGRB-HNNXBMFYSA-N 1 2 302.809 4.047 20 30 DIEDLO N#CCCC[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459596010 339038005 /nfs/dbraw/zinc/03/80/05/339038005.db2.gz SHSSIGALLDRGRB-HNNXBMFYSA-N 1 2 302.809 4.047 20 30 DIEDLO N#Cc1cccc(Cl)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000462930166 339098283 /nfs/dbraw/zinc/09/82/83/339098283.db2.gz HDNYNRXVAVJHCY-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000464565509 339145468 /nfs/dbraw/zinc/14/54/68/339145468.db2.gz BPHFGDAEOUDCGR-AWEZNQCLSA-N 1 2 311.429 4.304 20 30 DIEDLO Cc1ccc([C@H]([NH2+]CC#Cc2ccccc2)c2ccccn2)cc1 ZINC000471067189 339336308 /nfs/dbraw/zinc/33/63/08/339336308.db2.gz UPUWWDDSQSJJSR-QFIPXVFZSA-N 1 2 312.416 4.121 20 30 DIEDLO CCc1[nH+]c(C)ccc1OCc1ccc(C#N)cc1OC(F)F ZINC000473656803 339389673 /nfs/dbraw/zinc/38/96/73/339389673.db2.gz CPRZFUVGWGTVOB-UHFFFAOYSA-N 1 2 318.323 4.005 20 30 DIEDLO C=C(C)[C@H](Nc1cc[nH+]c2ccncc12)c1ccc(F)c(F)c1 ZINC000475727507 339460565 /nfs/dbraw/zinc/46/05/65/339460565.db2.gz OBWMDTCPYCFNMP-SFHVURJKSA-N 1 2 311.335 4.059 20 30 DIEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1ccccc1C#N ZINC000475977765 339466778 /nfs/dbraw/zinc/46/67/78/339466778.db2.gz RDTUQRMKQBRKOK-UHFFFAOYSA-N 1 2 305.406 4.345 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(F)c(F)c1 ZINC000479406033 339533487 /nfs/dbraw/zinc/53/34/87/339533487.db2.gz ALGHYMOHDGXSQH-AWEZNQCLSA-N 1 2 314.788 4.482 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000480731395 339585047 /nfs/dbraw/zinc/58/50/47/339585047.db2.gz BSXLZWQCEIZRCM-UHFFFAOYSA-N 1 2 300.764 4.130 20 30 DIEDLO CC#CCCCC(=O)Nc1c2ccccc2[nH+]c(C)c1C(C)C ZINC000485668118 339708791 /nfs/dbraw/zinc/70/87/91/339708791.db2.gz IGLYOWOTIYFYFL-UHFFFAOYSA-N 1 2 308.425 4.221 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1scnc1C1CC1)c1ccc(Cl)cc1F ZINC000491485759 339863883 /nfs/dbraw/zinc/86/38/83/339863883.db2.gz QWYWHRIBRIAFDS-CQSZACIVSA-N 1 2 320.820 4.277 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccnn1C1CCCC1)c1ccc(Cl)cc1 ZINC000491486955 339864020 /nfs/dbraw/zinc/86/40/20/339864020.db2.gz ZLFOTWUWHLPGRO-SFHVURJKSA-N 1 2 313.832 4.116 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccc(F)cc1 ZINC000491665925 339872212 /nfs/dbraw/zinc/87/22/12/339872212.db2.gz VVFLWLNKJFCGPR-MRXNPFEDSA-N 1 2 300.402 4.014 20 30 DIEDLO C#C[C@@H]([NH2+][C@@H](C)c1cc(C)ccn1)c1ccc(Cl)cc1F ZINC000491778387 339880897 /nfs/dbraw/zinc/88/08/97/339880897.db2.gz YJLXERPGIHWJGA-BLLLJJGKSA-N 1 2 302.780 4.208 20 30 DIEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000501270605 340077757 /nfs/dbraw/zinc/07/77/57/340077757.db2.gz UZGVGWCDXLTANY-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000501270605 340077758 /nfs/dbraw/zinc/07/77/58/340077758.db2.gz UZGVGWCDXLTANY-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(C#N)cc1F ZINC000503197911 340123035 /nfs/dbraw/zinc/12/30/35/340123035.db2.gz JKZCNTAUIMDRHH-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(C#N)ccc1F ZINC000505266178 340165112 /nfs/dbraw/zinc/16/51/12/340165112.db2.gz OLJLUSBDCHSPGE-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(C#N)ccc1F ZINC000505266178 340165113 /nfs/dbraw/zinc/16/51/13/340165113.db2.gz OLJLUSBDCHSPGE-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@H+](Cc1cc(Cl)ccc1F)Cc1cc(C#N)ccc1F ZINC000505266285 340165153 /nfs/dbraw/zinc/16/51/53/340165153.db2.gz OWPQQWZJENKZJV-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)ccc1F)Cc1cc(C#N)ccc1F ZINC000505266285 340165154 /nfs/dbraw/zinc/16/51/54/340165154.db2.gz OWPQQWZJENKZJV-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(O)c1Cl ZINC000507659924 340227376 /nfs/dbraw/zinc/22/73/76/340227376.db2.gz LTXKTKCIFDGLCI-UHFFFAOYSA-N 1 2 317.816 4.242 20 30 DIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(O)c1Cl ZINC000507659924 340227377 /nfs/dbraw/zinc/22/73/77/340227377.db2.gz LTXKTKCIFDGLCI-UHFFFAOYSA-N 1 2 317.816 4.242 20 30 DIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(O)c1Cl ZINC000507786396 340231486 /nfs/dbraw/zinc/23/14/86/340231486.db2.gz XYFCJAJNMLBFHP-UHFFFAOYSA-N 1 2 312.800 4.105 20 30 DIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(O)c1Cl ZINC000507786396 340231487 /nfs/dbraw/zinc/23/14/87/340231487.db2.gz XYFCJAJNMLBFHP-UHFFFAOYSA-N 1 2 312.800 4.105 20 30 DIEDLO C=CCC(C)(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000507997513 340236991 /nfs/dbraw/zinc/23/69/91/340236991.db2.gz GRHLWKCTMMMXQF-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCC=C(F)C3)c2)c1 ZINC000508619738 340248412 /nfs/dbraw/zinc/24/84/12/340248412.db2.gz HBRAICIGLJBNBX-UHFFFAOYSA-N 1 2 322.383 4.196 20 30 DIEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC=C(F)C3)c2)c1 ZINC000508619738 340248413 /nfs/dbraw/zinc/24/84/13/340248413.db2.gz HBRAICIGLJBNBX-UHFFFAOYSA-N 1 2 322.383 4.196 20 30 DIEDLO C=C(C)CCc1noc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000508671674 340250199 /nfs/dbraw/zinc/25/01/99/340250199.db2.gz OACRGLLOEKCTSC-MRXNPFEDSA-N 1 2 315.392 4.055 20 30 DIEDLO C=C(C)CCc1noc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000508671674 340250200 /nfs/dbraw/zinc/25/02/00/340250200.db2.gz OACRGLLOEKCTSC-MRXNPFEDSA-N 1 2 315.392 4.055 20 30 DIEDLO CC[N@@H+](Cc1cc(Br)ccc1Cl)C[C@@H](C)C#N ZINC000509767688 340278688 /nfs/dbraw/zinc/27/86/88/340278688.db2.gz VJZQABVPRJLFPJ-JTQLQIEISA-N 1 2 315.642 4.084 20 30 DIEDLO CC[N@H+](Cc1cc(Br)ccc1Cl)C[C@@H](C)C#N ZINC000509767688 340278689 /nfs/dbraw/zinc/27/86/89/340278689.db2.gz VJZQABVPRJLFPJ-JTQLQIEISA-N 1 2 315.642 4.084 20 30 DIEDLO CC[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)C[C@H](C)C#N ZINC000509766533 340278763 /nfs/dbraw/zinc/27/87/63/340278763.db2.gz LEKQLUGUISPQBM-GFCCVEGCSA-N 1 2 304.340 4.206 20 30 DIEDLO CC[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)C[C@H](C)C#N ZINC000509766533 340278764 /nfs/dbraw/zinc/27/87/64/340278764.db2.gz LEKQLUGUISPQBM-GFCCVEGCSA-N 1 2 304.340 4.206 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000509817295 340280130 /nfs/dbraw/zinc/28/01/30/340280130.db2.gz AXLDLIAKQRYJTI-ZDUSSCGKSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000509817295 340280131 /nfs/dbraw/zinc/28/01/31/340280131.db2.gz AXLDLIAKQRYJTI-ZDUSSCGKSA-N 1 2 316.351 4.349 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@H+](C)C[C@H](C)C#N)cc1OCC ZINC000509829411 340280737 /nfs/dbraw/zinc/28/07/37/340280737.db2.gz VSCWHYZHICKWHI-CYBMUJFWSA-N 1 2 324.852 4.119 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@@H+](C)C[C@H](C)C#N)cc1OCC ZINC000509829411 340280738 /nfs/dbraw/zinc/28/07/38/340280738.db2.gz VSCWHYZHICKWHI-CYBMUJFWSA-N 1 2 324.852 4.119 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@H+](C)C[C@@H](C)C#N)cc1OCC ZINC000509829412 340280740 /nfs/dbraw/zinc/28/07/40/340280740.db2.gz VSCWHYZHICKWHI-ZDUSSCGKSA-N 1 2 324.852 4.119 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@@H+](C)C[C@@H](C)C#N)cc1OCC ZINC000509829412 340280741 /nfs/dbraw/zinc/28/07/41/340280741.db2.gz VSCWHYZHICKWHI-ZDUSSCGKSA-N 1 2 324.852 4.119 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(F)ccc1Cl ZINC000512151919 340350051 /nfs/dbraw/zinc/35/00/51/340350051.db2.gz IXPKLMKMYVQOBQ-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(F)ccc1Cl ZINC000512151919 340350052 /nfs/dbraw/zinc/35/00/52/340350052.db2.gz IXPKLMKMYVQOBQ-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1sccc1Cl ZINC000512218459 340352966 /nfs/dbraw/zinc/35/29/66/340352966.db2.gz JXDCKGOXSWWJSD-UHFFFAOYSA-N 1 2 311.834 4.065 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1sccc1Cl ZINC000512218459 340352967 /nfs/dbraw/zinc/35/29/67/340352967.db2.gz JXDCKGOXSWWJSD-UHFFFAOYSA-N 1 2 311.834 4.065 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000512768928 340376751 /nfs/dbraw/zinc/37/67/51/340376751.db2.gz LLMUAXXBCPCBSC-MRXNPFEDSA-N 1 2 320.436 4.486 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000512768928 340376752 /nfs/dbraw/zinc/37/67/52/340376752.db2.gz LLMUAXXBCPCBSC-MRXNPFEDSA-N 1 2 320.436 4.486 20 30 DIEDLO N#Cc1ccc(C[NH2+]CC(F)(F)c2ccc(Cl)cc2)s1 ZINC000512982056 340386702 /nfs/dbraw/zinc/38/67/02/340386702.db2.gz ATOCTHOEVFILQY-UHFFFAOYSA-N 1 2 312.772 4.155 20 30 DIEDLO CCc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1Cl ZINC000512995748 340387494 /nfs/dbraw/zinc/38/74/94/340387494.db2.gz HWTBYBIVROLIEB-UHFFFAOYSA-N 1 2 310.788 4.034 20 30 DIEDLO N#Cc1ccc(Cl)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000522935336 340610681 /nfs/dbraw/zinc/61/06/81/340610681.db2.gz MMHAJQNVHIHRLP-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO Cc1ccc2nc(/C=C\c3c[nH+]c4ccc(C#N)cn34)ccc2c1 ZINC000524239202 340650611 /nfs/dbraw/zinc/65/06/11/340650611.db2.gz OEOIMVJWAGBREV-SREVYHEPSA-N 1 2 310.360 4.233 20 30 DIEDLO Cc1cccc2[nH+]c(CSc3cccc(Cl)c3C#N)cn21 ZINC000538951739 340863346 /nfs/dbraw/zinc/86/33/46/340863346.db2.gz ZZNDQYPTTBJEFV-UHFFFAOYSA-N 1 2 313.813 4.460 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)s1 ZINC000130126306 341000730 /nfs/dbraw/zinc/00/07/30/341000730.db2.gz NOWNLZQRALPLLB-UHFFFAOYSA-N 1 2 304.365 4.063 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)s1 ZINC000130126306 341000731 /nfs/dbraw/zinc/00/07/31/341000731.db2.gz NOWNLZQRALPLLB-UHFFFAOYSA-N 1 2 304.365 4.063 20 30 DIEDLO C[C@@H](c1ccccc1Br)[N@H+](C)Cc1ccc(C#N)o1 ZINC000131014603 341056241 /nfs/dbraw/zinc/05/62/41/341056241.db2.gz PECJXKJVIAUCRW-NSHDSACASA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@@H](c1ccccc1Br)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000131014603 341056242 /nfs/dbraw/zinc/05/62/42/341056242.db2.gz PECJXKJVIAUCRW-NSHDSACASA-N 1 2 319.202 4.107 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+](CCC#N)C(C)C ZINC000543758995 341057415 /nfs/dbraw/zinc/05/74/15/341057415.db2.gz MRBYEOZLLAKVSS-UHFFFAOYSA-N 1 2 308.425 4.486 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+](CCC#N)C(C)C ZINC000543758995 341057416 /nfs/dbraw/zinc/05/74/16/341057416.db2.gz MRBYEOZLLAKVSS-UHFFFAOYSA-N 1 2 308.425 4.486 20 30 DIEDLO C=C[C@@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000131447100 341088994 /nfs/dbraw/zinc/08/89/94/341088994.db2.gz WCTZTJDHMCMWDZ-INIZCTEOSA-N 1 2 317.392 4.171 20 30 DIEDLO CC(C)CCOc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000546634072 341176354 /nfs/dbraw/zinc/17/63/54/341176354.db2.gz XSECEDXPOVWUGA-UHFFFAOYSA-N 1 2 309.413 4.185 20 30 DIEDLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271963292 341625606 /nfs/dbraw/zinc/62/56/06/341625606.db2.gz RVBSTZRALRGOJX-HNNXBMFYSA-N 1 2 309.413 4.137 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C2CCCCC2)no1)c1cccc(C#N)c1 ZINC000190025862 525621585 /nfs/dbraw/zinc/62/15/85/525621585.db2.gz UYZRPXMDHQWCIF-KGLIPLIRSA-N 1 2 324.428 4.401 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cc(OC)cc(C)n1)c1ccc(F)c(F)c1 ZINC000274775649 1035763588 /nfs/dbraw/zinc/76/35/88/1035763588.db2.gz JKJROIFJTQVXON-GOSISDBHSA-N 1 2 318.367 4.084 20 30 DIEDLO N#Cc1cccc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000127036697 1035799002 /nfs/dbraw/zinc/79/90/02/1035799002.db2.gz BGBYIUNKJFQABR-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO CC[C@H]1CO[C@](C)(CCC(C)C)N1c1ccc(CC#N)c(C)[nH+]1 ZINC001167132973 1036164364 /nfs/dbraw/zinc/16/43/64/1036164364.db2.gz QRQZXLJTQGGIJJ-PKOBYXMFSA-N 1 2 315.461 4.224 20 30 DIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+][C@H](C)CC(C)(C)C#N ZINC000926073603 1036841224 /nfs/dbraw/zinc/84/12/24/1036841224.db2.gz CVFHKSOIBAUTSD-OAHLLOKOSA-N 1 2 317.502 4.289 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnc(-c2ccccc2)o1 ZINC000610346162 1036841411 /nfs/dbraw/zinc/84/14/11/1036841411.db2.gz NFHIXHYZUHZKBB-UONOGXRCSA-N 1 2 318.380 4.020 20 30 DIEDLO CC(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)cc1 ZINC000581183785 1037465142 /nfs/dbraw/zinc/46/51/42/1037465142.db2.gz QYHPCYRSHBQWFG-KRWDZBQOSA-N 1 2 311.454 4.475 20 30 DIEDLO CC(C)c1ccc([C@@H]2CCC[N@H+]2Cc2nc(C#N)cs2)cc1 ZINC000581183785 1037465144 /nfs/dbraw/zinc/46/51/44/1037465144.db2.gz QYHPCYRSHBQWFG-KRWDZBQOSA-N 1 2 311.454 4.475 20 30 DIEDLO N#CC1CCC(Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000602491340 1038019145 /nfs/dbraw/zinc/01/91/45/1038019145.db2.gz KUJLVGCVWBQALW-UHFFFAOYSA-N 1 2 320.440 4.381 20 30 DIEDLO CC[N@H+](Cc1nc(C(C)(C)C)co1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891656414 1038110231 /nfs/dbraw/zinc/11/02/31/1038110231.db2.gz NQYIQJHCIGXXEJ-AWEZNQCLSA-N 1 2 311.429 4.427 20 30 DIEDLO CC[N@@H+](Cc1nc(C(C)(C)C)co1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891656414 1038110245 /nfs/dbraw/zinc/11/02/45/1038110245.db2.gz NQYIQJHCIGXXEJ-AWEZNQCLSA-N 1 2 311.429 4.427 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccnc1C(F)(F)F ZINC000599308219 1038265590 /nfs/dbraw/zinc/26/55/90/1038265590.db2.gz QSISZOAIGFGGRN-UHFFFAOYSA-N 1 2 313.367 4.252 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccnc1C(F)(F)F ZINC000599308219 1038265605 /nfs/dbraw/zinc/26/56/05/1038265605.db2.gz QSISZOAIGFGGRN-UHFFFAOYSA-N 1 2 313.367 4.252 20 30 DIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccsc1Cl)C2 ZINC000599677712 1038332389 /nfs/dbraw/zinc/33/23/89/1038332389.db2.gz KDXKKGJNEFEKSD-UHFFFAOYSA-N 1 2 302.830 4.026 20 30 DIEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccsc1Cl)C2 ZINC000599677712 1038332402 /nfs/dbraw/zinc/33/24/02/1038332402.db2.gz KDXKKGJNEFEKSD-UHFFFAOYSA-N 1 2 302.830 4.026 20 30 DIEDLO C=C1CC[NH+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000341992251 1038364064 /nfs/dbraw/zinc/36/40/64/1038364064.db2.gz CJXOQJVIXQWLSW-GFCCVEGCSA-N 1 2 303.793 4.103 20 30 DIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)Cc1ccccc1F ZINC000071996778 1038562690 /nfs/dbraw/zinc/56/26/90/1038562690.db2.gz OPYSGMCLLCBZBR-UHFFFAOYSA-N 1 2 314.360 4.231 20 30 DIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)Cc1ccccc1F ZINC000071996778 1038562696 /nfs/dbraw/zinc/56/26/96/1038562696.db2.gz OPYSGMCLLCBZBR-UHFFFAOYSA-N 1 2 314.360 4.231 20 30 DIEDLO C[C@H](CCc1ccccc1)C[N@H+](CCC#N)Cc1ccccn1 ZINC000342748670 1038759359 /nfs/dbraw/zinc/75/93/59/1038759359.db2.gz XEGNCQBLUIZGKH-GOSISDBHSA-N 1 2 307.441 4.066 20 30 DIEDLO C[C@H](CCc1ccccc1)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000342748670 1038759368 /nfs/dbraw/zinc/75/93/68/1038759368.db2.gz XEGNCQBLUIZGKH-GOSISDBHSA-N 1 2 307.441 4.066 20 30 DIEDLO CSc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162262406 1039081354 /nfs/dbraw/zinc/08/13/54/1039081354.db2.gz VDTCVVDNKSLYDW-UHFFFAOYSA-N 1 2 313.426 4.098 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(C(C)(C)C)cs1 ZINC000178789639 1039151783 /nfs/dbraw/zinc/15/17/83/1039151783.db2.gz IMWJISBAHFENTF-NSHDSACASA-N 1 2 317.433 4.302 20 30 DIEDLO N#CCCC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000348761383 1039214530 /nfs/dbraw/zinc/21/45/30/1039214530.db2.gz IUFOCYREKOBGHR-UHFFFAOYSA-N 1 2 316.449 4.170 20 30 DIEDLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000539626766 1039304913 /nfs/dbraw/zinc/30/49/13/1039304913.db2.gz VBKUHVHTEYJVAO-CQSZACIVSA-N 1 2 324.403 4.256 20 30 DIEDLO C[C@@H](C[N@H+](CC#N)C1CCCC1)c1cccc(Br)c1 ZINC000539822875 1039354814 /nfs/dbraw/zinc/35/48/14/1039354814.db2.gz VTUHLQSVZYHQPN-ZDUSSCGKSA-N 1 2 321.262 4.321 20 30 DIEDLO C[C@@H](C[N@@H+](CC#N)C1CCCC1)c1cccc(Br)c1 ZINC000539822875 1039354828 /nfs/dbraw/zinc/35/48/28/1039354828.db2.gz VTUHLQSVZYHQPN-ZDUSSCGKSA-N 1 2 321.262 4.321 20 30 DIEDLO Cc1ccc(C2=CC[N@H+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC000728569992 1039368556 /nfs/dbraw/zinc/36/85/56/1039368556.db2.gz ZFWWEEHVRQVLST-UHFFFAOYSA-N 1 2 306.384 4.295 20 30 DIEDLO Cc1ccc(C2=CC[N@@H+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC000728569992 1039368573 /nfs/dbraw/zinc/36/85/73/1039368573.db2.gz ZFWWEEHVRQVLST-UHFFFAOYSA-N 1 2 306.384 4.295 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc(Cl)cc1 ZINC000491739243 1039873476 /nfs/dbraw/zinc/87/34/76/1039873476.db2.gz PVGRPHSNBXIQNG-OAHLLOKOSA-N 1 2 302.830 4.138 20 30 DIEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000179734053 1040526029 /nfs/dbraw/zinc/52/60/29/1040526029.db2.gz OFSLSIRGDFOJGR-LLVKDONJSA-N 1 2 313.451 4.422 20 30 DIEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000179734053 1040526046 /nfs/dbraw/zinc/52/60/46/1040526046.db2.gz OFSLSIRGDFOJGR-LLVKDONJSA-N 1 2 313.451 4.422 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(C2CC2)cc1 ZINC000414327411 1041134294 /nfs/dbraw/zinc/13/42/94/1041134294.db2.gz YMHAEKPGBDWDLO-UHFFFAOYSA-N 1 2 307.397 4.254 20 30 DIEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccccc1C(F)(F)F ZINC000752718800 1041199563 /nfs/dbraw/zinc/19/95/63/1041199563.db2.gz PJRWKNKENUBUBM-UHFFFAOYSA-N 1 2 307.319 4.350 20 30 DIEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c(F)c1 ZINC000180893787 1041228056 /nfs/dbraw/zinc/22/80/56/1041228056.db2.gz LCUMKQQATHVZPN-UHFFFAOYSA-N 1 2 322.339 4.372 20 30 DIEDLO Cc1[nH+]c(C(C)(C)C)nc(N[C@@H](C)c2cccc(C#N)c2)c1C ZINC001167707435 1041274168 /nfs/dbraw/zinc/27/41/68/1041274168.db2.gz WHDCHEOHECXZST-AWEZNQCLSA-N 1 2 308.429 4.436 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000189963240 1041343509 /nfs/dbraw/zinc/34/35/09/1041343509.db2.gz VORVEISHNCAYBI-HNNXBMFYSA-N 1 2 316.408 4.141 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000189963240 1041343522 /nfs/dbraw/zinc/34/35/22/1041343522.db2.gz VORVEISHNCAYBI-HNNXBMFYSA-N 1 2 316.408 4.141 20 30 DIEDLO Oc1ccc2ccccc2c1/C=[NH+]\C[C@@H]1COc2ccccc2C1 ZINC000747712549 1041516709 /nfs/dbraw/zinc/51/67/09/1041516709.db2.gz BCTUZNLPDNEIHX-VUZLNAKASA-N 1 2 317.388 4.216 20 30 DIEDLO CCCCCCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132814647 1041518810 /nfs/dbraw/zinc/51/88/10/1041518810.db2.gz BMNZFFLFIMCRLG-GOSISDBHSA-N 1 2 313.445 4.101 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cnc(CC(C)C)s1)c1ccc(Cl)cc1 ZINC000811517319 1041529461 /nfs/dbraw/zinc/52/94/61/1041529461.db2.gz ODFCCAKSRVPTKL-MRXNPFEDSA-N 1 2 318.873 4.459 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1nccc2ccccc21 ZINC000811641460 1041546562 /nfs/dbraw/zinc/54/65/62/1041546562.db2.gz DIBBLOVWGYQQGT-UHFFFAOYSA-N 1 2 312.376 4.041 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccccc1 ZINC000893236310 1041570539 /nfs/dbraw/zinc/57/05/39/1041570539.db2.gz FQSUEYLMLPISEU-CYBMUJFWSA-N 1 2 310.344 4.016 20 30 DIEDLO C#C[C@H]([NH2+]Cc1c(Cl)ccc2cccnc21)c1ccc(F)cc1 ZINC000812793788 1041650815 /nfs/dbraw/zinc/65/08/15/1041650815.db2.gz DVFQSEQFFGSZSL-SFHVURJKSA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccc(F)cc1 ZINC000812793294 1041651105 /nfs/dbraw/zinc/65/11/05/1041651105.db2.gz SIXISSWFQNSWKC-SFHVURJKSA-N 1 2 309.384 4.003 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc2cc(OC)ccc2o1)c1ccc(F)cc1 ZINC000812793892 1041651371 /nfs/dbraw/zinc/65/13/71/1041651371.db2.gz JFXVCLJQDYUQRR-SFHVURJKSA-N 1 2 309.340 4.045 20 30 DIEDLO Cc1nc(-c2ccc(CC/[NH+]=C/c3ccccc3O)cc2)cs1 ZINC000015149804 1041803072 /nfs/dbraw/zinc/80/30/72/1041803072.db2.gz VPBWJCUFNOQRFM-UDWIEESQSA-N 1 2 322.433 4.486 20 30 DIEDLO CCC(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(N)c1 ZINC000814682443 1041848370 /nfs/dbraw/zinc/84/83/70/1041848370.db2.gz MKALUAJPGKDNBZ-UHFFFAOYSA-N 1 2 318.764 4.057 20 30 DIEDLO Nc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c[nH+]1 ZINC000821022014 1042239399 /nfs/dbraw/zinc/23/93/99/1042239399.db2.gz LUZUKXBUPHSWDN-SDQBBNPISA-N 1 2 300.361 4.227 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(Br)s1 ZINC000513725582 1042610413 /nfs/dbraw/zinc/61/04/13/1042610413.db2.gz QHNUQHRBXBEZHH-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(Br)s1 ZINC000513725582 1042610415 /nfs/dbraw/zinc/61/04/15/1042610415.db2.gz QHNUQHRBXBEZHH-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(Br)s1 ZINC000513741389 1042625639 /nfs/dbraw/zinc/62/56/39/1042625639.db2.gz LWUQJOINJZXQNT-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(Br)s1 ZINC000513741389 1042625641 /nfs/dbraw/zinc/62/56/41/1042625641.db2.gz LWUQJOINJZXQNT-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CCC(CC)n1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425529632 1042837581 /nfs/dbraw/zinc/83/75/81/1042837581.db2.gz CGSWDXJKUCHILK-HNNXBMFYSA-N 1 2 310.445 4.309 20 30 DIEDLO CCC(CC)n1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425529632 1042837587 /nfs/dbraw/zinc/83/75/87/1042837587.db2.gz CGSWDXJKUCHILK-HNNXBMFYSA-N 1 2 310.445 4.309 20 30 DIEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@@H](C)c1cccc(C#N)c1)CC3 ZINC000614523248 1042965507 /nfs/dbraw/zinc/96/55/07/1042965507.db2.gz UHAQORCOSIQTJA-HNNXBMFYSA-N 1 2 315.420 4.467 20 30 DIEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@@H](C)c1cccc(C#N)c1)CC3 ZINC000614523248 1042965508 /nfs/dbraw/zinc/96/55/08/1042965508.db2.gz UHAQORCOSIQTJA-HNNXBMFYSA-N 1 2 315.420 4.467 20 30 DIEDLO CC(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1F ZINC000519619144 1042996898 /nfs/dbraw/zinc/99/68/98/1042996898.db2.gz XLXMHUQEELTFRD-HNNXBMFYSA-N 1 2 323.824 4.294 20 30 DIEDLO Cc1cc(C)c(NC(=O)NC(C)(C)c2cccc(F)c2)c(C)[nH+]1 ZINC000331227234 1043111076 /nfs/dbraw/zinc/11/10/76/1043111076.db2.gz DKRBHZMPJFRBRL-UHFFFAOYSA-N 1 2 315.392 4.216 20 30 DIEDLO COc1ccc([C@@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C2CC2)cc1 ZINC000866221090 1043162083 /nfs/dbraw/zinc/16/20/83/1043162083.db2.gz NGHZWYMLNAGOEE-YJYMSZOUSA-N 1 2 322.408 4.074 20 30 DIEDLO C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1cccc(C#N)c1O ZINC000866232243 1043162584 /nfs/dbraw/zinc/16/25/84/1043162584.db2.gz ICPYUVPFPHJKJG-WBMJQRKESA-N 1 2 310.422 4.152 20 30 DIEDLO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866238292 1043164174 /nfs/dbraw/zinc/16/41/74/1043164174.db2.gz ONQYZVQDFWQHPP-CABCVRRESA-N 1 2 324.424 4.463 20 30 DIEDLO C[C@](O)(CC/[NH+]=C/c1c(O)ccc2ccccc21)c1ccccc1 ZINC000777402788 1043179329 /nfs/dbraw/zinc/17/93/29/1043179329.db2.gz PFLYOOITAWTYOP-FNNTWHHHSA-N 1 2 319.404 4.262 20 30 DIEDLO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1O ZINC000866362455 1043188553 /nfs/dbraw/zinc/18/85/53/1043188553.db2.gz FFIQORVXLRBQBX-DNVCBOLYSA-N 1 2 319.408 4.350 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185252305 1043199115 /nfs/dbraw/zinc/19/91/15/1043199115.db2.gz NCJGPYMZGBUIQJ-UONOGXRCSA-N 1 2 324.428 4.401 20 30 DIEDLO C[C@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cccc(C#N)c1O ZINC000866535684 1043218988 /nfs/dbraw/zinc/21/89/88/1043218988.db2.gz HJMAGYXUBGSFAA-CORIIIEPSA-N 1 2 324.346 4.059 20 30 DIEDLO CC1(C)C/C(=C/c2c[nH+]c3ccccn23)C(=O)c2ccccc21 ZINC000794967103 1043255216 /nfs/dbraw/zinc/25/52/16/1043255216.db2.gz DSKQQUOYBMXRKR-KAMYIIQDSA-N 1 2 302.377 4.282 20 30 DIEDLO C#CCCCCCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000871830846 1043400068 /nfs/dbraw/zinc/40/00/68/1043400068.db2.gz WHQCADMJQZPWLV-UHFFFAOYSA-N 1 2 305.425 4.207 20 30 DIEDLO N#Cc1c(F)cccc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000873076448 1043517511 /nfs/dbraw/zinc/51/75/11/1043517511.db2.gz MIYPLQWHJHOBNC-GOSISDBHSA-N 1 2 322.383 4.233 20 30 DIEDLO CCCNc1ccc(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)cc1 ZINC000926287322 1043558188 /nfs/dbraw/zinc/55/81/88/1043558188.db2.gz INLOWECLBBJVKF-IBGZPJMESA-N 1 2 323.440 4.327 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(Cl)s3)c[nH+]c12 ZINC000125220441 1043607938 /nfs/dbraw/zinc/60/79/38/1043607938.db2.gz ITPTWLWYOUEUJE-SNAWJCMRSA-N 1 2 302.786 4.254 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3c[nH]c4ccccc34)c[nH+]c12 ZINC000125336386 1043618569 /nfs/dbraw/zinc/61/85/69/1043618569.db2.gz FEIYOZXUZOEIJM-CMDGGOBGSA-N 1 2 301.349 4.020 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc(F)cc1C#N ZINC000535676798 1043621043 /nfs/dbraw/zinc/62/10/43/1043621043.db2.gz TZMBUJSRMFOGGI-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc(F)cc1C#N ZINC000535676798 1043621033 /nfs/dbraw/zinc/62/10/33/1043621033.db2.gz TZMBUJSRMFOGGI-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC(C)[C@@H](C[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000353618256 1043624888 /nfs/dbraw/zinc/62/48/88/1043624888.db2.gz SWCTVFJNVJQGLZ-HXUWFJFHSA-N 1 2 307.441 4.237 20 30 DIEDLO CC(C)[C@@H](C[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000353618256 1043624890 /nfs/dbraw/zinc/62/48/90/1043624890.db2.gz SWCTVFJNVJQGLZ-HXUWFJFHSA-N 1 2 307.441 4.237 20 30 DIEDLO CC[C@@H]([NH2+]Cc1csc(C)c1C)c1cccc(C#N)c1O ZINC000926782176 1043631565 /nfs/dbraw/zinc/63/15/65/1043631565.db2.gz SYZAGWOARLCERM-MRXNPFEDSA-N 1 2 300.427 4.183 20 30 DIEDLO CCCCCCCCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125559608 1043634871 /nfs/dbraw/zinc/63/48/71/1043634871.db2.gz ZANHQWGENGAGBU-IAGOWNOFSA-N 1 2 305.466 4.043 20 30 DIEDLO CC(C)c1ccc([C@@H]([NH2+]CC(C)(C)C#N)c2cccnc2)cc1 ZINC000926874347 1043646175 /nfs/dbraw/zinc/64/61/75/1043646175.db2.gz PIDSGLBZEGXOLS-LJQANCHMSA-N 1 2 307.441 4.434 20 30 DIEDLO CC(C)c1ccc([C@@H]([NH2+]CC2(C#N)CC2)c2cccnc2)cc1 ZINC000926873994 1043646890 /nfs/dbraw/zinc/64/68/90/1043646890.db2.gz LAFGIFFWPJJGDW-LJQANCHMSA-N 1 2 305.425 4.188 20 30 DIEDLO N#Cc1cccc(C2CC[NH+](Cc3ncc(Cl)s3)CC2)c1 ZINC001137109200 1043700084 /nfs/dbraw/zinc/70/00/84/1043700084.db2.gz CIDMCZOCLIEBDF-UHFFFAOYSA-N 1 2 317.845 4.048 20 30 DIEDLO CC[N@H+](Cc1cc(C#N)cnc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000876599227 1043700348 /nfs/dbraw/zinc/70/03/48/1043700348.db2.gz XWZUBDTXWRPVSK-CYBMUJFWSA-N 1 2 324.815 4.061 20 30 DIEDLO CC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000876599227 1043700358 /nfs/dbraw/zinc/70/03/58/1043700358.db2.gz XWZUBDTXWRPVSK-CYBMUJFWSA-N 1 2 324.815 4.061 20 30 DIEDLO C#CCCCCCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000876627993 1043702854 /nfs/dbraw/zinc/70/28/54/1043702854.db2.gz MIGOFUNYXPYQFL-INIZCTEOSA-N 1 2 301.434 4.058 20 30 DIEDLO C#CCCCCCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000876627993 1043702863 /nfs/dbraw/zinc/70/28/63/1043702863.db2.gz MIGOFUNYXPYQFL-INIZCTEOSA-N 1 2 301.434 4.058 20 30 DIEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877313048 1043756178 /nfs/dbraw/zinc/75/61/78/1043756178.db2.gz PMCIBQIDZBDDSJ-OAHLLOKOSA-N 1 2 305.834 4.075 20 30 DIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877313048 1043756189 /nfs/dbraw/zinc/75/61/89/1043756189.db2.gz PMCIBQIDZBDDSJ-OAHLLOKOSA-N 1 2 305.834 4.075 20 30 DIEDLO Cc1cc(C)c2cc(N[C@H](C)CC3(C#N)CCOCC3)ccc2[nH+]1 ZINC000895881330 1043772063 /nfs/dbraw/zinc/77/20/63/1043772063.db2.gz YVVRKIGFOFBACW-MRXNPFEDSA-N 1 2 323.440 4.363 20 30 DIEDLO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(C#N)cs2)o1 ZINC000356107786 1043809669 /nfs/dbraw/zinc/80/96/69/1043809669.db2.gz DPDRBGLZEHZEQA-AWEZNQCLSA-N 1 2 301.415 4.034 20 30 DIEDLO Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(C#N)cs2)o1 ZINC000356107786 1043809688 /nfs/dbraw/zinc/80/96/88/1043809688.db2.gz DPDRBGLZEHZEQA-AWEZNQCLSA-N 1 2 301.415 4.034 20 30 DIEDLO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000826003773 1043820315 /nfs/dbraw/zinc/82/03/15/1043820315.db2.gz VVSJSLWKYUVGCL-QZTJIDSGSA-N 1 2 319.493 4.433 20 30 DIEDLO CC(C)(C)c1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)co1 ZINC000930887571 1043972427 /nfs/dbraw/zinc/97/24/27/1043972427.db2.gz OEOHZLMRAOIZBN-UHFFFAOYSA-N 1 2 309.413 4.013 20 30 DIEDLO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cc(F)ccc1OC ZINC000932470729 1044131655 /nfs/dbraw/zinc/13/16/55/1044131655.db2.gz YLJFLAZQWGHTOV-QGZVFWFLSA-N 1 2 316.351 4.086 20 30 DIEDLO C=CC[C@H](C)Sc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000882029465 1044145393 /nfs/dbraw/zinc/14/53/93/1044145393.db2.gz FIZPUVSRAWZDKX-KBPBESRZSA-N 1 2 310.511 4.148 20 30 DIEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000428335921 1044259347 /nfs/dbraw/zinc/25/93/47/1044259347.db2.gz YUUBXHPBYKHMSD-UHFFFAOYSA-N 1 2 300.764 4.130 20 30 DIEDLO N#Cc1ccc(NCc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000360340678 1044262045 /nfs/dbraw/zinc/26/20/45/1044262045.db2.gz CMUFSNCBPAIGRA-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO CCCCCCCCCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759468418 1044277039 /nfs/dbraw/zinc/27/70/39/1044277039.db2.gz GGVSVOOXNZOOEB-ROUUACIJSA-N 1 2 319.493 4.433 20 30 DIEDLO C=C(C)c1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000934876765 1044290516 /nfs/dbraw/zinc/29/05/16/1044290516.db2.gz QRZIQHWGUFNILI-MAUKXSAKSA-N 1 2 324.428 4.031 20 30 DIEDLO C=C[C@H](CC)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000935780942 1044367120 /nfs/dbraw/zinc/36/71/20/1044367120.db2.gz SSCJVKHUPXUSAP-OAHLLOKOSA-N 1 2 323.440 4.427 20 30 DIEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cn3ccccc3c2C#N)s1 ZINC000106877307 1044372792 /nfs/dbraw/zinc/37/27/92/1044372792.db2.gz AJCULQCHYFHCDE-CYBMUJFWSA-N 1 2 324.453 4.077 20 30 DIEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cn3ccccc3c2C#N)s1 ZINC000106877307 1044372806 /nfs/dbraw/zinc/37/28/06/1044372806.db2.gz AJCULQCHYFHCDE-CYBMUJFWSA-N 1 2 324.453 4.077 20 30 DIEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000564844685 1044405881 /nfs/dbraw/zinc/40/58/81/1044405881.db2.gz NUIQGGSYPKRCSX-BEFAXECRSA-N 1 2 323.827 4.463 20 30 DIEDLO CC(C)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1F ZINC000428352287 1044452834 /nfs/dbraw/zinc/45/28/34/1044452834.db2.gz QCPFAKLXTUZOIY-SFHVURJKSA-N 1 2 318.342 4.462 20 30 DIEDLO CSc1ccccc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000348328487 1044541054 /nfs/dbraw/zinc/54/10/54/1044541054.db2.gz KWLIRBUJDWVOOL-UHFFFAOYSA-N 1 2 300.402 4.051 20 30 DIEDLO CSc1ccccc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000348328487 1044541070 /nfs/dbraw/zinc/54/10/70/1044541070.db2.gz KWLIRBUJDWVOOL-UHFFFAOYSA-N 1 2 300.402 4.051 20 30 DIEDLO CC(C)[N@H+](Cc1csc(Cl)n1)Cc1ccc(C#N)cc1 ZINC000295593038 1044544973 /nfs/dbraw/zinc/54/49/73/1044544973.db2.gz SZAGFLDJNBJUNZ-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO CC(C)[N@@H+](Cc1csc(Cl)n1)Cc1ccc(C#N)cc1 ZINC000295593038 1044544986 /nfs/dbraw/zinc/54/49/86/1044544986.db2.gz SZAGFLDJNBJUNZ-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO C=C(C)C[C@H](C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000567309788 1044558591 /nfs/dbraw/zinc/55/85/91/1044558591.db2.gz SJZGRSFYOXKGPT-AWEZNQCLSA-N 1 2 308.385 4.051 20 30 DIEDLO CC(C)(C)OC(=O)Nc1cc(NC2=CC[C@H](C#N)CC2)cc[nH+]1 ZINC001212855507 1044679481 /nfs/dbraw/zinc/67/94/81/1044679481.db2.gz YCPUJXNBVUXUEN-LBPRGKRZSA-N 1 2 314.389 4.048 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000371784537 1044889715 /nfs/dbraw/zinc/88/97/15/1044889715.db2.gz AWOHNIMUKKUWGJ-SJLPKXTDSA-N 1 2 317.392 4.100 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000371784537 1044889734 /nfs/dbraw/zinc/88/97/34/1044889734.db2.gz AWOHNIMUKKUWGJ-SJLPKXTDSA-N 1 2 317.392 4.100 20 30 DIEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccccc3C#N)[C@H](C)CO2)c1 ZINC000524758714 1044916373 /nfs/dbraw/zinc/91/63/73/1044916373.db2.gz XXKISDWYNMCERS-UTKZUKDTSA-N 1 2 320.436 4.137 20 30 DIEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccccc3C#N)[C@H](C)CO2)c1 ZINC000524758714 1044916387 /nfs/dbraw/zinc/91/63/87/1044916387.db2.gz XXKISDWYNMCERS-UTKZUKDTSA-N 1 2 320.436 4.137 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000373114393 1044941895 /nfs/dbraw/zinc/94/18/95/1044941895.db2.gz ZEUUZDQLOUUBLO-QGZVFWFLSA-N 1 2 322.399 4.058 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000373114393 1044941907 /nfs/dbraw/zinc/94/19/07/1044941907.db2.gz ZEUUZDQLOUUBLO-QGZVFWFLSA-N 1 2 322.399 4.058 20 30 DIEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441021132 1044952123 /nfs/dbraw/zinc/95/21/23/1044952123.db2.gz ACKUMTNVPYPSLF-OAHLLOKOSA-N 1 2 316.408 4.141 20 30 DIEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441021132 1044952135 /nfs/dbraw/zinc/95/21/35/1044952135.db2.gz ACKUMTNVPYPSLF-OAHLLOKOSA-N 1 2 316.408 4.141 20 30 DIEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441021130 1044952351 /nfs/dbraw/zinc/95/23/51/1044952351.db2.gz ACKUMTNVPYPSLF-HNNXBMFYSA-N 1 2 316.408 4.141 20 30 DIEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441021130 1044952362 /nfs/dbraw/zinc/95/23/62/1044952362.db2.gz ACKUMTNVPYPSLF-HNNXBMFYSA-N 1 2 316.408 4.141 20 30 DIEDLO C[C@H](C[N@H+](CCC#N)Cc1ccco1)c1cccc(Cl)c1 ZINC000527106574 1045196170 /nfs/dbraw/zinc/19/61/70/1045196170.db2.gz BBKRDXTUKRNZLT-CQSZACIVSA-N 1 2 302.805 4.452 20 30 DIEDLO C[C@H](C[N@@H+](CCC#N)Cc1ccco1)c1cccc(Cl)c1 ZINC000527106574 1045196178 /nfs/dbraw/zinc/19/61/78/1045196178.db2.gz BBKRDXTUKRNZLT-CQSZACIVSA-N 1 2 302.805 4.452 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc(SC)cc1)c1cccc(C#N)c1O ZINC000924770818 1045198206 /nfs/dbraw/zinc/19/82/06/1045198206.db2.gz UIJKQOIMOWRIRM-QGZVFWFLSA-N 1 2 312.438 4.227 20 30 DIEDLO CC(C)[N@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C#N)cc1 ZINC000578200970 1045220082 /nfs/dbraw/zinc/22/00/82/1045220082.db2.gz QXYHJMXJIHKIHU-UHFFFAOYSA-N 1 2 311.429 4.254 20 30 DIEDLO CC(C)[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C#N)cc1 ZINC000578200970 1045220091 /nfs/dbraw/zinc/22/00/91/1045220091.db2.gz QXYHJMXJIHKIHU-UHFFFAOYSA-N 1 2 311.429 4.254 20 30 DIEDLO CCCCCCCC[C@@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779095154 1045271564 /nfs/dbraw/zinc/27/15/64/1045271564.db2.gz KHNHZDVLQYMLBG-IAGOWNOFSA-N 1 2 319.493 4.091 20 30 DIEDLO C=C(Cl)C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000779106072 1045283481 /nfs/dbraw/zinc/28/34/81/1045283481.db2.gz LMPBWFKMUVDPFH-KRWDZBQOSA-N 1 2 305.780 4.266 20 30 DIEDLO C=C(C)C[N@@H+](C)Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000779145999 1045320053 /nfs/dbraw/zinc/32/00/53/1045320053.db2.gz YKSBGZXLKYRACP-UHFFFAOYSA-N 1 2 321.827 4.040 20 30 DIEDLO C=C(C)C[N@H+](C)Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000779145999 1045320058 /nfs/dbraw/zinc/32/00/58/1045320058.db2.gz YKSBGZXLKYRACP-UHFFFAOYSA-N 1 2 321.827 4.040 20 30 DIEDLO Cc1cc(C)c(CNc2cc(C#N)ccc2C(F)(F)F)c[nH+]1 ZINC000450913994 1045594115 /nfs/dbraw/zinc/59/41/15/1045594115.db2.gz WJTVDCCBLJTBFR-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000530733037 1045716519 /nfs/dbraw/zinc/71/65/19/1045716519.db2.gz XIBFVRZYHVPAAR-QFBILLFUSA-N 1 2 312.363 4.237 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000530733037 1045716533 /nfs/dbraw/zinc/71/65/33/1045716533.db2.gz XIBFVRZYHVPAAR-QFBILLFUSA-N 1 2 312.363 4.237 20 30 DIEDLO CC[N@@H+](CCC#N)CCSc1ccnc2cc(Cl)ccc21 ZINC000122125656 1045720697 /nfs/dbraw/zinc/72/06/97/1045720697.db2.gz VEECAMPHNNQRAP-UHFFFAOYSA-N 1 2 319.861 4.216 20 30 DIEDLO CC[N@H+](CCC#N)CCSc1ccnc2cc(Cl)ccc21 ZINC000122125656 1045720708 /nfs/dbraw/zinc/72/07/08/1045720708.db2.gz VEECAMPHNNQRAP-UHFFFAOYSA-N 1 2 319.861 4.216 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451875591 1045737328 /nfs/dbraw/zinc/73/73/28/1045737328.db2.gz CLEBGZXHOKBFCL-IBGZPJMESA-N 1 2 316.408 4.162 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451875591 1045737342 /nfs/dbraw/zinc/73/73/42/1045737342.db2.gz CLEBGZXHOKBFCL-IBGZPJMESA-N 1 2 316.408 4.162 20 30 DIEDLO CSc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1F ZINC000901479951 1045744725 /nfs/dbraw/zinc/74/47/25/1045744725.db2.gz LGNBBEFFGOJGBZ-AATRIKPKSA-N 1 2 304.390 4.221 20 30 DIEDLO CCSc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1 ZINC000901486345 1045746638 /nfs/dbraw/zinc/74/66/38/1045746638.db2.gz DBXKVRIRSDVOJU-YFHOEESVSA-N 1 2 300.427 4.472 20 30 DIEDLO COc1cc(Cl)ccc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901521732 1045756904 /nfs/dbraw/zinc/75/69/04/1045756904.db2.gz HAZOIYUOVJWLER-FNORWQNLSA-N 1 2 304.777 4.022 20 30 DIEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3ccc(C)cn13)CC2 ZINC000753901091 1045815915 /nfs/dbraw/zinc/81/59/15/1045815915.db2.gz VYPWBZINQOZLCC-YBEGLDIGSA-N 1 2 302.377 4.164 20 30 DIEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nc2ccccc2s1 ZINC000754712659 1045918470 /nfs/dbraw/zinc/91/84/70/1045918470.db2.gz QTVMBUZCXSSOAE-LLVKDONJSA-N 1 2 311.385 4.158 20 30 DIEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1nc2ccccc2s1 ZINC000754712661 1045919067 /nfs/dbraw/zinc/91/90/67/1045919067.db2.gz QTVMBUZCXSSOAE-NSHDSACASA-N 1 2 311.385 4.158 20 30 DIEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)c(C#N)c1 ZINC001137703347 1045940719 /nfs/dbraw/zinc/94/07/19/1045940719.db2.gz KFZKEYYOQPZMCJ-LJQANCHMSA-N 1 2 310.372 4.043 20 30 DIEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)c(C#N)c1 ZINC001137703347 1045940727 /nfs/dbraw/zinc/94/07/27/1045940727.db2.gz KFZKEYYOQPZMCJ-LJQANCHMSA-N 1 2 310.372 4.043 20 30 DIEDLO CCSc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000755604247 1046000373 /nfs/dbraw/zinc/00/03/73/1046000373.db2.gz MJPYBSBTNBWKCK-DHZHZOJOSA-N 1 2 308.406 4.342 20 30 DIEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)c(Cl)ccc2C(F)(F)F)C1 ZINC001137984223 1046045190 /nfs/dbraw/zinc/04/51/90/1046045190.db2.gz GDOVKLXKJXZBLC-SNVBAGLBSA-N 1 2 319.729 4.343 20 30 DIEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)c(Cl)ccc2C(F)(F)F)C1 ZINC001137984223 1046045203 /nfs/dbraw/zinc/04/52/03/1046045203.db2.gz GDOVKLXKJXZBLC-SNVBAGLBSA-N 1 2 319.729 4.343 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001138079964 1046084392 /nfs/dbraw/zinc/08/43/92/1046084392.db2.gz IMRPIHKNWFEHJU-LJQANCHMSA-N 1 2 306.409 4.001 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001138079964 1046084410 /nfs/dbraw/zinc/08/44/10/1046084410.db2.gz IMRPIHKNWFEHJU-LJQANCHMSA-N 1 2 306.409 4.001 20 30 DIEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756769401 1046129892 /nfs/dbraw/zinc/12/98/92/1046129892.db2.gz QBUTZPGUMNPZSV-YVEFUNNKSA-N 1 2 316.351 4.366 20 30 DIEDLO COc1ccc([C@@H]([NH2+]CC(C)(C)C#N)c2ccc(F)cc2)cc1 ZINC000903100542 1046162971 /nfs/dbraw/zinc/16/29/71/1046162971.db2.gz SEPLZJGHCXOYIP-SFHVURJKSA-N 1 2 312.388 4.063 20 30 DIEDLO Cc1cc([C@@H]([NH2+]CC2(C#N)CCCC2)c2cccnc2)ccc1F ZINC000903108873 1046166221 /nfs/dbraw/zinc/16/62/21/1046166221.db2.gz IFYUOTKOQMSDHF-LJQANCHMSA-N 1 2 323.415 4.292 20 30 DIEDLO Cc1cc([C@H]([NH2+]CC2(C#N)CCCC2)c2cccnc2)ccc1F ZINC000903108872 1046166331 /nfs/dbraw/zinc/16/63/31/1046166331.db2.gz IFYUOTKOQMSDHF-IBGZPJMESA-N 1 2 323.415 4.292 20 30 DIEDLO N#Cc1csc(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)n1 ZINC000903263295 1046212278 /nfs/dbraw/zinc/21/22/78/1046212278.db2.gz LLDKEFKNYYSDQV-GFCCVEGCSA-N 1 2 324.236 4.099 20 30 DIEDLO C[C@H](Cc1ccc(Cl)cc1)[N@H+](CCC#N)Cc1cccnc1 ZINC001168170523 1046243734 /nfs/dbraw/zinc/24/37/34/1046243734.db2.gz MOJMNAYPUPBQDB-OAHLLOKOSA-N 1 2 313.832 4.082 20 30 DIEDLO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001168170523 1046243739 /nfs/dbraw/zinc/24/37/39/1046243739.db2.gz MOJMNAYPUPBQDB-OAHLLOKOSA-N 1 2 313.832 4.082 20 30 DIEDLO C=C(C)COc1ccccc1C[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001138661567 1046260543 /nfs/dbraw/zinc/26/05/43/1046260543.db2.gz CNCVNTMJZGHXIH-MRXNPFEDSA-N 1 2 313.363 4.211 20 30 DIEDLO C=C(C)COc1ccccc1C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001138661567 1046260555 /nfs/dbraw/zinc/26/05/55/1046260555.db2.gz CNCVNTMJZGHXIH-MRXNPFEDSA-N 1 2 313.363 4.211 20 30 DIEDLO C#CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)Cc1ccccc1 ZINC000796639575 1046380652 /nfs/dbraw/zinc/38/06/52/1046380652.db2.gz LZPDTIYTFLPYGE-UHFFFAOYSA-N 1 2 324.371 4.106 20 30 DIEDLO C#CC[N@H+](Cc1sc(C)nc1C(F)(F)F)Cc1ccccc1 ZINC000796639575 1046380665 /nfs/dbraw/zinc/38/06/65/1046380665.db2.gz LZPDTIYTFLPYGE-UHFFFAOYSA-N 1 2 324.371 4.106 20 30 DIEDLO C#CCCCCCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000780404736 1046384730 /nfs/dbraw/zinc/38/47/30/1046384730.db2.gz ZJBXZHHSDQAVGH-UHFFFAOYSA-N 1 2 309.413 4.216 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3/Cc4cc(Cl)ccc4C3=O)n21 ZINC000749004626 1046419194 /nfs/dbraw/zinc/41/91/94/1046419194.db2.gz FEKODFIMGKBPLA-LCYFTJDESA-N 1 2 308.768 4.119 20 30 DIEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C\c1c[nH+]c2cccc(C)n12 ZINC000748997162 1046422163 /nfs/dbraw/zinc/42/21/63/1046422163.db2.gz GTTMIBULLMBUKX-KHPPLWFESA-N 1 2 315.376 4.329 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(Cl)s3)n21 ZINC000748994677 1046422371 /nfs/dbraw/zinc/42/23/71/1046422371.db2.gz RFAHXAIILPCYPH-WAYWQWQTSA-N 1 2 302.786 4.254 20 30 DIEDLO CSc1ccc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)cc1 ZINC000749000508 1046423440 /nfs/dbraw/zinc/42/34/40/1046423440.db2.gz YKGYMMPPLVZSOI-FLIBITNWSA-N 1 2 308.406 4.261 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc2ccc(Br)cc2[nH]1 ZINC001139474459 1046452394 /nfs/dbraw/zinc/45/23/94/1046452394.db2.gz PEVKVGDITLAMTA-UHFFFAOYSA-N 1 2 320.234 4.056 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc2ccc(Br)cc2[nH]1 ZINC001139474459 1046452399 /nfs/dbraw/zinc/45/23/99/1046452399.db2.gz PEVKVGDITLAMTA-UHFFFAOYSA-N 1 2 320.234 4.056 20 30 DIEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC001139331500 1046428748 /nfs/dbraw/zinc/42/87/48/1046428748.db2.gz NWBVBXRTAAPGCL-UHFFFAOYSA-N 1 2 319.330 4.113 20 30 DIEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC001139331500 1046428752 /nfs/dbraw/zinc/42/87/52/1046428752.db2.gz NWBVBXRTAAPGCL-UHFFFAOYSA-N 1 2 319.330 4.113 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2c(F)cccc2F)cc1F ZINC001139530864 1046465389 /nfs/dbraw/zinc/46/53/89/1046465389.db2.gz UYOOKKJTRYCKKT-KRWDZBQOSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2c(F)cccc2F)cc1F ZINC001139530864 1046465391 /nfs/dbraw/zinc/46/53/91/1046465391.db2.gz UYOOKKJTRYCKKT-KRWDZBQOSA-N 1 2 316.326 4.313 20 30 DIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccccc1Cl ZINC000783696948 1046622451 /nfs/dbraw/zinc/62/24/51/1046622451.db2.gz LSKXJRZHISGOAX-WAYWQWQTSA-N 1 2 314.797 4.483 20 30 DIEDLO Cc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)s1 ZINC000783702220 1046623734 /nfs/dbraw/zinc/62/37/34/1046623734.db2.gz TWNFCDFOMKRFMR-ARJAWSKDSA-N 1 2 300.408 4.200 20 30 DIEDLO Cc1cc(C)cc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783708376 1046624931 /nfs/dbraw/zinc/62/49/31/1046624931.db2.gz YAXWRRSPEJNDBA-ARJAWSKDSA-N 1 2 308.406 4.447 20 30 DIEDLO Cc1ccc2c(c1)C/C(=C\c1cc(-n3cc[nH+]c3)cs1)C2=O ZINC000783707362 1046625440 /nfs/dbraw/zinc/62/54/40/1046625440.db2.gz IAQKFFOLIPIATB-RIYZIHGNSA-N 1 2 306.390 4.065 20 30 DIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cccc(F)c1F ZINC000783713706 1046628096 /nfs/dbraw/zinc/62/80/96/1046628096.db2.gz VGEGVMBUIOUVLM-PLNGDYQASA-N 1 2 316.332 4.108 20 30 DIEDLO Clc1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783772324 1046632933 /nfs/dbraw/zinc/63/29/33/1046632933.db2.gz PTTXRQQNTYUJEF-UHFFFAOYSA-N 1 2 302.790 4.033 20 30 DIEDLO N#CCC[N@H+](Cc1ccc(-c2ccsc2)nc1)C1CCCC1 ZINC001139499402 1046647358 /nfs/dbraw/zinc/64/73/58/1046647358.db2.gz LCCPQIPWVMYCTL-UHFFFAOYSA-N 1 2 311.454 4.468 20 30 DIEDLO N#CCC[N@@H+](Cc1ccc(-c2ccsc2)nc1)C1CCCC1 ZINC001139499402 1046647365 /nfs/dbraw/zinc/64/73/65/1046647365.db2.gz LCCPQIPWVMYCTL-UHFFFAOYSA-N 1 2 311.454 4.468 20 30 DIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000797008484 1046771926 /nfs/dbraw/zinc/77/19/26/1046771926.db2.gz VNPAPDILTRPUDH-LBPRGKRZSA-N 1 2 319.351 4.086 20 30 DIEDLO Cc1cc(Oc2ccc(Nc3cnc(C#N)c(F)c3)cc2)cc[nH+]1 ZINC001203060318 1046873114 /nfs/dbraw/zinc/87/31/14/1046873114.db2.gz OQEUMNGXMAPLRW-UHFFFAOYSA-N 1 2 320.327 4.332 20 30 DIEDLO CC1(C)C[N@H+](Cc2cc(F)c(C#N)c(F)c2)Cc2ccccc21 ZINC001140756410 1046888595 /nfs/dbraw/zinc/88/85/95/1046888595.db2.gz MLWTUNBVGBXMMJ-UHFFFAOYSA-N 1 2 312.363 4.130 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)Cc2ccccc21 ZINC001140756410 1046888608 /nfs/dbraw/zinc/88/86/08/1046888608.db2.gz MLWTUNBVGBXMMJ-UHFFFAOYSA-N 1 2 312.363 4.130 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140884252 1046941397 /nfs/dbraw/zinc/94/13/97/1046941397.db2.gz LNCBCGROCFCWNJ-UHFFFAOYSA-N 1 2 318.314 4.240 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140884252 1046941402 /nfs/dbraw/zinc/94/14/02/1046941402.db2.gz LNCBCGROCFCWNJ-UHFFFAOYSA-N 1 2 318.314 4.240 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140944794 1046957928 /nfs/dbraw/zinc/95/79/28/1046957928.db2.gz SYAQUGDEDZOWNA-UHFFFAOYSA-N 1 2 301.821 4.256 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140944794 1046957930 /nfs/dbraw/zinc/95/79/30/1046957930.db2.gz SYAQUGDEDZOWNA-UHFFFAOYSA-N 1 2 301.821 4.256 20 30 DIEDLO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000798936897 1046990599 /nfs/dbraw/zinc/99/05/99/1046990599.db2.gz MGKCWIDQFXVRQP-MWLCHTKSSA-N 1 2 316.214 4.299 20 30 DIEDLO C=CCC[C@@H](C)[NH2+][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000273476742 1047018496 /nfs/dbraw/zinc/01/84/96/1047018496.db2.gz KYTPIXHGIIWZMA-IAQYHMDHSA-N 1 2 305.809 4.065 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(F)c(F)c1 ZINC000681375252 1047118833 /nfs/dbraw/zinc/11/88/33/1047118833.db2.gz NGNPOSSFRYGZFS-QGZVFWFLSA-N 1 2 320.408 4.317 20 30 DIEDLO C=CCC[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000681660497 1047138145 /nfs/dbraw/zinc/13/81/45/1047138145.db2.gz HYTFNKORVBZEKK-QGZVFWFLSA-N 1 2 305.381 4.023 20 30 DIEDLO Cc1ccc2cc(C(=O)/C=C/c3ccc[nH+]c3N(C)C)oc2c1 ZINC001117350868 1047227454 /nfs/dbraw/zinc/22/74/54/1047227454.db2.gz NANVWXRQKPMPPE-CMDGGOBGSA-N 1 2 306.365 4.098 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2c(C)[nH]c3ccccc32)c1 ZINC000726890381 1047386807 /nfs/dbraw/zinc/38/68/07/1047386807.db2.gz KIVNYNLSXLCCNT-FYJGNVAPSA-N 1 2 322.408 4.242 20 30 DIEDLO CCc1ccc(-c2nc(C[NH+]3CCC(C#N)CC3)cs2)cc1 ZINC000057873077 1047469364 /nfs/dbraw/zinc/46/93/64/1047469364.db2.gz XTBYTVVGGFRJHW-UHFFFAOYSA-N 1 2 311.454 4.108 20 30 DIEDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000730063022 1047519948 /nfs/dbraw/zinc/51/99/48/1047519948.db2.gz YMTGZOXMMYAPII-IBGZPJMESA-N 1 2 324.399 4.433 20 30 DIEDLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000730063022 1047519951 /nfs/dbraw/zinc/51/99/51/1047519951.db2.gz YMTGZOXMMYAPII-IBGZPJMESA-N 1 2 324.399 4.433 20 30 DIEDLO C=CC[N@@H+](Cc1cnc(C(C)C)s1)Cc1cccc(C#N)c1 ZINC000092504261 1047535565 /nfs/dbraw/zinc/53/55/65/1047535565.db2.gz DOSHJLJOLMJHFH-UHFFFAOYSA-N 1 2 311.454 4.326 20 30 DIEDLO C=CC[N@H+](Cc1cnc(C(C)C)s1)Cc1cccc(C#N)c1 ZINC000092504261 1047535570 /nfs/dbraw/zinc/53/55/70/1047535570.db2.gz DOSHJLJOLMJHFH-UHFFFAOYSA-N 1 2 311.454 4.326 20 30 DIEDLO N#CCc1cc[nH+]c(N[C@@H]2CCCC[C@H]2OCc2ccccc2)c1 ZINC001154716365 1047654921 /nfs/dbraw/zinc/65/49/21/1047654921.db2.gz JMBHHJVSIKNSQS-RTBURBONSA-N 1 2 321.424 4.088 20 30 DIEDLO N#Cc1ccc(C2CCN(c3cccc(C4CC4)[nH+]3)CC2)cc1 ZINC001156776239 1047722695 /nfs/dbraw/zinc/72/26/95/1047722695.db2.gz YOVVQGITDRDFLT-UHFFFAOYSA-N 1 2 303.409 4.215 20 30 DIEDLO COc1ccc2[nH+]c(NCCc3ccc(C#N)cc3)c(C)cc2c1 ZINC001156831061 1047723797 /nfs/dbraw/zinc/72/37/97/1047723797.db2.gz NFEMZXZLRNXFRP-UHFFFAOYSA-N 1 2 317.392 4.078 20 30 DIEDLO C=C(CC)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000539101990 1047736641 /nfs/dbraw/zinc/73/66/41/1047736641.db2.gz ZOBGBRRFDZDELS-CQSZACIVSA-N 1 2 310.511 4.149 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2c1 ZINC001157298195 1047739453 /nfs/dbraw/zinc/73/94/53/1047739453.db2.gz DVNCDDSUOYIVCE-KBXCAEBGSA-N 1 2 321.330 4.353 20 30 DIEDLO CCCC[C@H](CC)COCCCNc1cc(CC#N)cc[nH+]1 ZINC001157340907 1047739777 /nfs/dbraw/zinc/73/97/77/1047739777.db2.gz LLBZKDRNUHJQFL-INIZCTEOSA-N 1 2 303.450 4.183 20 30 DIEDLO Cc1cc2[nH]ccc2c(N[C@](C)(C#N)c2ccccc2Cl)[nH+]1 ZINC001158482637 1047785909 /nfs/dbraw/zinc/78/59/09/1047785909.db2.gz POVJCKMPIQEONO-QGZVFWFLSA-N 1 2 310.788 4.376 20 30 DIEDLO C[C@@H](CNc1[nH+]ccc2ccc(C#N)cc21)c1ccc(O)cc1 ZINC001158606470 1047791111 /nfs/dbraw/zinc/79/11/11/1047791111.db2.gz ROSKGMYNAVYOOL-ZDUSSCGKSA-N 1 2 303.365 4.028 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H](C)CCC1CCCC1)C(=O)OCC ZINC001183312205 1047917326 /nfs/dbraw/zinc/91/73/26/1047917326.db2.gz GWXDSJIZENCYGE-ZFWWWQNUSA-N 1 2 301.858 4.009 20 30 DIEDLO COc1c(C)c[nH+]c(CNc2ccc(C3CC3)c(C#N)c2)c1C ZINC001183521207 1047935390 /nfs/dbraw/zinc/93/53/90/1047935390.db2.gz WNALIOXPFJIAEG-UHFFFAOYSA-N 1 2 307.397 4.068 20 30 DIEDLO CCCCCCCCCCN(C)C(=O)CCc1ccc(N)[nH+]c1 ZINC001183936989 1047979682 /nfs/dbraw/zinc/97/96/82/1047979682.db2.gz SKQNCYUAVNNOLK-UHFFFAOYSA-N 1 2 319.493 4.196 20 30 DIEDLO COC1CCC(CCNc2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001160642048 1048073140 /nfs/dbraw/zinc/07/31/40/1048073140.db2.gz HYOKJNYWTPRDBX-UHFFFAOYSA-N 1 2 309.413 4.114 20 30 DIEDLO C#Cc1cccc(N(CCCn2cc[nH+]c2)Cc2cccs2)c1 ZINC000775982243 1048074936 /nfs/dbraw/zinc/07/49/36/1048074936.db2.gz UVCMTGOWHPRTRY-UHFFFAOYSA-N 1 2 321.449 4.023 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(NCCc3c[nH]c4ccccc34)c2c1 ZINC001160776346 1048083315 /nfs/dbraw/zinc/08/33/15/1048083315.db2.gz XVXFTLFTVWUWKY-UHFFFAOYSA-N 1 2 312.376 4.242 20 30 DIEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCC(C)(C)C)[nH+]1 ZINC001161677192 1048153001 /nfs/dbraw/zinc/15/30/01/1048153001.db2.gz KTRADIBLTAPJHO-PSXBWXLBSA-N 1 2 323.506 4.119 20 30 DIEDLO N#C[C@@H](Nc1cc2c3c(c1)CCC[NH+]3CCC2)c1ccccc1 ZINC001161721475 1048160598 /nfs/dbraw/zinc/16/05/98/1048160598.db2.gz OASLEIOXVIIOCV-LJQANCHMSA-N 1 2 303.409 4.062 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H](CC)c1ccn(C)n1)c1ccc(F)c(F)c1 ZINC000480659805 1048210957 /nfs/dbraw/zinc/21/09/57/1048210957.db2.gz DWGFFAZNWWMPRL-WBVHZDCISA-N 1 2 305.372 4.056 20 30 DIEDLO N#Cc1ccc(Oc2ccc(Nc3ccc(N)[nH+]c3)cc2)cc1 ZINC001201291315 1048229416 /nfs/dbraw/zinc/22/94/16/1048229416.db2.gz GAWJINSCZGCBNA-UHFFFAOYSA-N 1 2 302.337 4.071 20 30 DIEDLO CN(C)c1ccc(Nc2c(Cl)cc(Cl)cc2C#N)c[nH+]1 ZINC001175343795 1048249477 /nfs/dbraw/zinc/24/94/77/1048249477.db2.gz PBZFMCLUSVZIKN-UHFFFAOYSA-N 1 2 307.184 4.070 20 30 DIEDLO Cc1c(Cl)c(C#N)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350459 1048271738 /nfs/dbraw/zinc/27/17/38/1048271738.db2.gz YOAFDJWBXMWBHC-UHFFFAOYSA-N 1 2 312.804 4.259 20 30 DIEDLO CC(C)(C#N)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175352513 1048274304 /nfs/dbraw/zinc/27/43/04/1048274304.db2.gz QLRVTZUXRHDETB-UHFFFAOYSA-N 1 2 306.413 4.227 20 30 DIEDLO N#Cc1csc(C[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c1 ZINC000555350411 1048327592 /nfs/dbraw/zinc/32/75/92/1048327592.db2.gz POWSDJRJNLISQH-MRXNPFEDSA-N 1 2 320.820 4.344 20 30 DIEDLO N#Cc1csc(C[N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c1 ZINC000555350411 1048327608 /nfs/dbraw/zinc/32/76/08/1048327608.db2.gz POWSDJRJNLISQH-MRXNPFEDSA-N 1 2 320.820 4.344 20 30 DIEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2Cl)C1 ZINC001250276885 1048514625 /nfs/dbraw/zinc/51/46/25/1048514625.db2.gz OOGHQAREWWERSX-JTQLQIEISA-N 1 2 319.729 4.343 20 30 DIEDLO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2Cl)C1 ZINC001250276885 1048514631 /nfs/dbraw/zinc/51/46/31/1048514631.db2.gz OOGHQAREWWERSX-JTQLQIEISA-N 1 2 319.729 4.343 20 30 DIEDLO C=CCC1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCC1 ZINC001176219249 1048607462 /nfs/dbraw/zinc/60/74/62/1048607462.db2.gz JNAIWAKSRGTCET-UHFFFAOYSA-N 1 2 309.413 4.378 20 30 DIEDLO N#CC1(C[NH2+]Cc2cscc2Br)CCCCC1 ZINC000850391424 1048646533 /nfs/dbraw/zinc/64/65/33/1048646533.db2.gz PPTFQUZYYMUXAE-UHFFFAOYSA-N 1 2 313.264 4.074 20 30 DIEDLO C#CC[N@@H+](Cc1ncoc1C(C)C)[C@@H]1CCCc2ccccc21 ZINC001176452922 1048688460 /nfs/dbraw/zinc/68/84/60/1048688460.db2.gz NFRSORQOFUQQRF-LJQANCHMSA-N 1 2 308.425 4.311 20 30 DIEDLO C#CC[N@H+](Cc1ncoc1C(C)C)[C@@H]1CCCc2ccccc21 ZINC001176452922 1048688464 /nfs/dbraw/zinc/68/84/64/1048688464.db2.gz NFRSORQOFUQQRF-LJQANCHMSA-N 1 2 308.425 4.311 20 30 DIEDLO Cn1c[nH+]cc1-c1cccc(NC(C)(C)c2ccc(C#N)cc2)c1 ZINC001165761472 1048716700 /nfs/dbraw/zinc/71/67/00/1048716700.db2.gz YEVVINQMMIXLSH-UHFFFAOYSA-N 1 2 316.408 4.306 20 30 DIEDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(F)ccc2C#N)s1 ZINC000160586442 1048716882 /nfs/dbraw/zinc/71/68/82/1048716882.db2.gz WQFCRAJQMKVWHN-LBPRGKRZSA-N 1 2 317.433 4.218 20 30 DIEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(F)ccc2C#N)s1 ZINC000160586442 1048716893 /nfs/dbraw/zinc/71/68/93/1048716893.db2.gz WQFCRAJQMKVWHN-LBPRGKRZSA-N 1 2 317.433 4.218 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1csc([C@H](C)OCC)n1)c1ccccc1 ZINC000775398362 1048763798 /nfs/dbraw/zinc/76/37/98/1048763798.db2.gz HJJJAZRVALDILC-WMLDXEAASA-N 1 2 314.454 4.095 20 30 DIEDLO C#C[C@@H]1CCCN(c2cc(SCc3ccccc3)cc[nH+]2)C1 ZINC001167008477 1048831619 /nfs/dbraw/zinc/83/16/19/1048831619.db2.gz YNRCSJNKDCDUPU-MRXNPFEDSA-N 1 2 308.450 4.224 20 30 DIEDLO Cc1ccccc1SC[C@@H](C)C[N@H+](CC#N)C1CCCC1 ZINC001191112393 1048855601 /nfs/dbraw/zinc/85/56/01/1048855601.db2.gz MXXKQLDNIPROBJ-HNNXBMFYSA-N 1 2 302.487 4.491 20 30 DIEDLO Cc1ccccc1SC[C@@H](C)C[N@@H+](CC#N)C1CCCC1 ZINC001191112393 1048855622 /nfs/dbraw/zinc/85/56/22/1048855622.db2.gz MXXKQLDNIPROBJ-HNNXBMFYSA-N 1 2 302.487 4.491 20 30 DIEDLO C=CCOCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC001191443606 1048946979 /nfs/dbraw/zinc/94/69/79/1048946979.db2.gz CSQJXGRKVJZHTA-LLVKDONJSA-N 1 2 300.229 4.115 20 30 DIEDLO C=CCOCC[N@H+]1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC001191443606 1048946986 /nfs/dbraw/zinc/94/69/86/1048946986.db2.gz CSQJXGRKVJZHTA-LLVKDONJSA-N 1 2 300.229 4.115 20 30 DIEDLO C=CCOc1ccccc1C[NH2+]Cc1ncc(C(C)C)s1 ZINC001177874985 1048949956 /nfs/dbraw/zinc/94/99/56/1048949956.db2.gz CUQBKISTPKAVIB-UHFFFAOYSA-N 1 2 302.443 4.121 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2ccc(Br)c(F)c2C#N)c1 ZINC001203663278 1048954882 /nfs/dbraw/zinc/95/48/82/1048954882.db2.gz GYVSXJUCPIHZSN-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO CCCCCCCCCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178117429 1048987408 /nfs/dbraw/zinc/98/74/08/1048987408.db2.gz WUJMEOXROBTSNP-KRWDZBQOSA-N 1 2 319.493 4.045 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC001203885422 1049022382 /nfs/dbraw/zinc/02/23/82/1049022382.db2.gz LURKJBZRPAYSJN-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC001203885422 1049022396 /nfs/dbraw/zinc/02/23/96/1049022396.db2.gz LURKJBZRPAYSJN-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO C#CCOc1ccc([C@@H](C)Nc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000776803024 1049028973 /nfs/dbraw/zinc/02/89/73/1049028973.db2.gz SAPMBEFWLLIHBH-QGZVFWFLSA-N 1 2 320.436 4.472 20 30 DIEDLO FC(F)(F)CC[N@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000484801866 1049039660 /nfs/dbraw/zinc/03/96/60/1049039660.db2.gz FBDYPPQQTPCDDR-UHFFFAOYSA-N 1 2 317.354 4.493 20 30 DIEDLO FC(F)(F)CC[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000484801866 1049039675 /nfs/dbraw/zinc/03/96/75/1049039675.db2.gz FBDYPPQQTPCDDR-UHFFFAOYSA-N 1 2 317.354 4.493 20 30 DIEDLO C#Cc1cccc(N(CC)Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC001192140258 1049050122 /nfs/dbraw/zinc/05/01/22/1049050122.db2.gz RDJKYCXNUNCVGX-UHFFFAOYSA-N 1 2 315.420 4.189 20 30 DIEDLO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)cs2)c2ccco2)cc1 ZINC001178966564 1049116167 /nfs/dbraw/zinc/11/61/67/1049116167.db2.gz GFPUMYZQGGTEMO-GOSISDBHSA-N 1 2 324.405 4.101 20 30 DIEDLO C=CCOc1ccc(C[N@@H+](C)Cc2csc(C(C)C)n2)cc1 ZINC001204303275 1049134620 /nfs/dbraw/zinc/13/46/20/1049134620.db2.gz FESVGADDVCLYPI-UHFFFAOYSA-N 1 2 316.470 4.463 20 30 DIEDLO C=CCOc1ccc(C[N@H+](C)Cc2csc(C(C)C)n2)cc1 ZINC001204303275 1049134626 /nfs/dbraw/zinc/13/46/26/1049134626.db2.gz FESVGADDVCLYPI-UHFFFAOYSA-N 1 2 316.470 4.463 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(F)(F)F)ccc1F ZINC001204474151 1049170393 /nfs/dbraw/zinc/17/03/93/1049170393.db2.gz LTXUDZNXMJWCPO-OJNYZHBWSA-N 1 2 312.310 4.111 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(F)(F)F)ccc1F ZINC001204474151 1049170398 /nfs/dbraw/zinc/17/03/98/1049170398.db2.gz LTXUDZNXMJWCPO-OJNYZHBWSA-N 1 2 312.310 4.111 20 30 DIEDLO C#CCCCCCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001193131826 1049183454 /nfs/dbraw/zinc/18/34/54/1049183454.db2.gz WSBDCGMVFXXLJH-GOSISDBHSA-N 1 2 305.849 4.297 20 30 DIEDLO C#CCCCCCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001193131826 1049183461 /nfs/dbraw/zinc/18/34/61/1049183461.db2.gz WSBDCGMVFXXLJH-GOSISDBHSA-N 1 2 305.849 4.297 20 30 DIEDLO C=C(C)[C@H]([NH2+]CC(=O)c1ccccc1F)c1ccc(F)c(F)c1 ZINC001193575584 1049228145 /nfs/dbraw/zinc/22/81/45/1049228145.db2.gz QSAAAZIFQBJMQY-SFHVURJKSA-N 1 2 319.326 4.194 20 30 DIEDLO COc1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC001179962562 1049251223 /nfs/dbraw/zinc/25/12/23/1049251223.db2.gz PXGBEJQIFFJSAF-UXHICEINSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cc(F)cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC001179962562 1049251235 /nfs/dbraw/zinc/25/12/35/1049251235.db2.gz PXGBEJQIFFJSAF-UXHICEINSA-N 1 2 324.399 4.106 20 30 DIEDLO CCCCCCCOC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001194009267 1049299289 /nfs/dbraw/zinc/29/92/89/1049299289.db2.gz UWCIPGGDXUJWAM-UHFFFAOYSA-N 1 2 315.417 4.450 20 30 DIEDLO N#Cc1ccc(-c2csc(Nc3ccn4cc[nH+]c4c3)n2)s1 ZINC001204972320 1049328682 /nfs/dbraw/zinc/32/86/82/1049328682.db2.gz ZUDOXTNVZDSHFR-UHFFFAOYSA-N 1 2 323.406 4.135 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205055025 1049355411 /nfs/dbraw/zinc/35/54/11/1049355411.db2.gz ASVIEKZUVCOQSJ-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205055025 1049355426 /nfs/dbraw/zinc/35/54/26/1049355426.db2.gz ASVIEKZUVCOQSJ-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO Cc1c2ccccc2oc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000119125359 1049518989 /nfs/dbraw/zinc/51/89/89/1049518989.db2.gz YOOJYDJHZQWVLI-MDZDMXLPSA-N 1 2 302.333 4.285 20 30 DIEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC1CCC(C(C)(C)C)CC1 ZINC001195877211 1049583021 /nfs/dbraw/zinc/58/30/21/1049583021.db2.gz TYCDBEMXXHYWSC-UHFFFAOYSA-N 1 2 321.505 4.116 20 30 DIEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)CC1CCC(C(C)(C)C)CC1 ZINC001195877211 1049583029 /nfs/dbraw/zinc/58/30/29/1049583029.db2.gz TYCDBEMXXHYWSC-UHFFFAOYSA-N 1 2 321.505 4.116 20 30 DIEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc3ccccc3c2)s1 ZINC000794692941 1049670115 /nfs/dbraw/zinc/67/01/15/1049670115.db2.gz ZTPJUALCVVKVGS-KTKRTIGZSA-N 1 2 322.433 4.254 20 30 DIEDLO CCCCCCCCCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001197051997 1049715510 /nfs/dbraw/zinc/71/55/10/1049715510.db2.gz PWBYKVBZAKGQGE-UHFFFAOYSA-N 1 2 316.489 4.476 20 30 DIEDLO CCCCCCCCCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001197051997 1049715520 /nfs/dbraw/zinc/71/55/20/1049715520.db2.gz PWBYKVBZAKGQGE-UHFFFAOYSA-N 1 2 316.489 4.476 20 30 DIEDLO CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001207412887 1049889681 /nfs/dbraw/zinc/88/96/81/1049889681.db2.gz MTCKPKZGPXYKPJ-MSOLQXFVSA-N 1 2 304.478 4.032 20 30 DIEDLO CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCCC[C@H]2C#N)CC1 ZINC001207412887 1049889683 /nfs/dbraw/zinc/88/96/83/1049889683.db2.gz MTCKPKZGPXYKPJ-MSOLQXFVSA-N 1 2 304.478 4.032 20 30 DIEDLO N#CCC[N@@H+](CCc1ccccc1F)Cc1ccc(Cl)cc1 ZINC001207504384 1049900372 /nfs/dbraw/zinc/90/03/72/1049900372.db2.gz MGYGHJOOFAMRFB-UHFFFAOYSA-N 1 2 316.807 4.437 20 30 DIEDLO N#CCC[N@H+](CCc1ccccc1F)Cc1ccc(Cl)cc1 ZINC001207504384 1049900377 /nfs/dbraw/zinc/90/03/77/1049900377.db2.gz MGYGHJOOFAMRFB-UHFFFAOYSA-N 1 2 316.807 4.437 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(COc3ccccc3)c2)C1 ZINC001207518016 1049902622 /nfs/dbraw/zinc/90/26/22/1049902622.db2.gz CAERRVXQBPCBFJ-LJQANCHMSA-N 1 2 306.409 4.001 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(COc3ccccc3)c2)C1 ZINC001207518016 1049902627 /nfs/dbraw/zinc/90/26/27/1049902627.db2.gz CAERRVXQBPCBFJ-LJQANCHMSA-N 1 2 306.409 4.001 20 30 DIEDLO CC(C)(CC[N@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC001208663447 1050000621 /nfs/dbraw/zinc/00/06/21/1050000621.db2.gz LMNMVGRHEGESEQ-UHFFFAOYSA-N 1 2 307.441 4.165 20 30 DIEDLO CC(C)(CC[N@@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC001208663447 1050000625 /nfs/dbraw/zinc/00/06/25/1050000625.db2.gz LMNMVGRHEGESEQ-UHFFFAOYSA-N 1 2 307.441 4.165 20 30 DIEDLO N#CCC[N@H+](Cc1cccnc1)CC1(c2ccccc2)CCCC1 ZINC001208772109 1050009927 /nfs/dbraw/zinc/00/99/27/1050009927.db2.gz QATRDHHWQFVPPQ-UHFFFAOYSA-N 1 2 319.452 4.309 20 30 DIEDLO N#CCC[N@@H+](Cc1cccnc1)CC1(c2ccccc2)CCCC1 ZINC001208772109 1050009933 /nfs/dbraw/zinc/00/99/33/1050009933.db2.gz QATRDHHWQFVPPQ-UHFFFAOYSA-N 1 2 319.452 4.309 20 30 DIEDLO N#CCC[C@H](C#N)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000589272822 1050025753 /nfs/dbraw/zinc/02/57/53/1050025753.db2.gz DTAFCKYIKMMNMQ-BZNIZROVSA-N 1 2 322.239 4.478 20 30 DIEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000589272823 1050025774 /nfs/dbraw/zinc/02/57/74/1050025774.db2.gz DTAFCKYIKMMNMQ-MEDUHNTESA-N 1 2 322.239 4.478 20 30 DIEDLO N#Cc1csc(C[NH+]2CCC(c3cccc(Cl)c3)CC2)n1 ZINC000589515531 1050042112 /nfs/dbraw/zinc/04/21/12/1050042112.db2.gz FBOQGVTUWVSSHR-UHFFFAOYSA-N 1 2 317.845 4.048 20 30 DIEDLO N#CCC[N@@H+](CCc1cc(F)c(F)cc1F)Cc1ccccc1 ZINC001209248371 1050046333 /nfs/dbraw/zinc/04/63/33/1050046333.db2.gz WABPNFQTJBBNEB-UHFFFAOYSA-N 1 2 318.342 4.062 20 30 DIEDLO N#CCC[N@H+](CCc1cc(F)c(F)cc1F)Cc1ccccc1 ZINC001209248371 1050046340 /nfs/dbraw/zinc/04/63/40/1050046340.db2.gz WABPNFQTJBBNEB-UHFFFAOYSA-N 1 2 318.342 4.062 20 30 DIEDLO N#CCC[N@@H+](CCOc1ccccc1)Cc1ccc(Cl)cc1 ZINC001209301507 1050051806 /nfs/dbraw/zinc/05/18/06/1050051806.db2.gz UJYRYOGNKOCREZ-UHFFFAOYSA-N 1 2 314.816 4.135 20 30 DIEDLO N#CCC[N@H+](CCOc1ccccc1)Cc1ccc(Cl)cc1 ZINC001209301507 1050051813 /nfs/dbraw/zinc/05/18/13/1050051813.db2.gz UJYRYOGNKOCREZ-UHFFFAOYSA-N 1 2 314.816 4.135 20 30 DIEDLO Cc1cc(Nc2ccc(C#N)c3ncccc23)ccc1[NH+](C)C ZINC001210044453 1050128188 /nfs/dbraw/zinc/12/81/88/1050128188.db2.gz QGYGVDNYPVIXAN-UHFFFAOYSA-N 1 2 302.381 4.225 20 30 DIEDLO Oc1ccccc1/C=[NH+]/CCCO[C@H]1CCCc2ccccc21 ZINC000733750217 1050151902 /nfs/dbraw/zinc/15/19/02/1050151902.db2.gz PZIHUOJIDDRVPR-GDUPUGJQSA-N 1 2 309.409 4.295 20 30 DIEDLO N#Cc1ncc(Nc2cccc3cc[nH+]cc32)cc1C(F)(F)F ZINC001210224574 1050167824 /nfs/dbraw/zinc/16/78/24/1050167824.db2.gz ROSCNLXMNALIHZ-UHFFFAOYSA-N 1 2 314.270 4.264 20 30 DIEDLO C=CCOC(=O)c1ccc(Nc2cccc3cc[nH+]cc32)c(F)c1 ZINC001210231908 1050169817 /nfs/dbraw/zinc/16/98/17/1050169817.db2.gz VHIQSRAGXQMEAL-UHFFFAOYSA-N 1 2 322.339 4.460 20 30 DIEDLO C=C(Br)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000770688635 1050187391 /nfs/dbraw/zinc/18/73/91/1050187391.db2.gz YWHRMGOMJPLDPU-UHFFFAOYSA-N 1 2 316.189 4.053 20 30 DIEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC001171049743 1050191178 /nfs/dbraw/zinc/19/11/78/1050191178.db2.gz QOUPOOCSYVNJKS-OAHLLOKOSA-N 1 2 320.477 4.045 20 30 DIEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC001171049743 1050191189 /nfs/dbraw/zinc/19/11/89/1050191189.db2.gz QOUPOOCSYVNJKS-OAHLLOKOSA-N 1 2 320.477 4.045 20 30 DIEDLO Cc1[nH+]cc(Nc2sc3cc(Cl)ccc3c2C#N)cc1N ZINC001210287643 1050191395 /nfs/dbraw/zinc/19/13/95/1050191395.db2.gz YMZLUFLRUQBEEV-UHFFFAOYSA-N 1 2 314.801 4.456 20 30 DIEDLO Cc1[nH+]cc(Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1N ZINC001210294146 1050193881 /nfs/dbraw/zinc/19/38/81/1050193881.db2.gz SWQQHTUOSDYZSO-UHFFFAOYSA-N 1 2 316.364 4.380 20 30 DIEDLO COc1ccc(NC(=[NH2+])c2ccc3ccccc3n2)cc1C(C)C ZINC001171050713 1050195412 /nfs/dbraw/zinc/19/54/12/1050195412.db2.gz ADCKWBKYQSSLPC-UHFFFAOYSA-N 1 2 319.408 4.404 20 30 DIEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc3c(cccc3Cl)[nH]1)C2 ZINC001136857667 1050199658 /nfs/dbraw/zinc/19/96/58/1050199658.db2.gz DLWWFCWXPAWOSH-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc3c(cccc3Cl)[nH]1)C2 ZINC001136857667 1050199662 /nfs/dbraw/zinc/19/96/62/1050199662.db2.gz DLWWFCWXPAWOSH-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO C[C@H](c1ccccc1)[N@H+](Cc1c[nH]cn1)Cc1ccc(C#N)cc1 ZINC001136873548 1050209121 /nfs/dbraw/zinc/20/91/21/1050209121.db2.gz SEDDXQDPUDLJKE-MRXNPFEDSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@H](c1ccccc1)[N@@H+](Cc1c[nH]cn1)Cc1ccc(C#N)cc1 ZINC001136873548 1050209133 /nfs/dbraw/zinc/20/91/33/1050209133.db2.gz SEDDXQDPUDLJKE-MRXNPFEDSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@H](c1ccccc1)[N@H+](Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC001136873548 1050209137 /nfs/dbraw/zinc/20/91/37/1050209137.db2.gz SEDDXQDPUDLJKE-MRXNPFEDSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@H](c1ccccc1)[N@@H+](Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC001136873548 1050209142 /nfs/dbraw/zinc/20/91/42/1050209142.db2.gz SEDDXQDPUDLJKE-MRXNPFEDSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@H](c1ccc(Cl)cc1)[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592073093 1050269935 /nfs/dbraw/zinc/26/99/35/1050269935.db2.gz IHFUKTFZKJHVSV-CYBMUJFWSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592073093 1050269947 /nfs/dbraw/zinc/26/99/47/1050269947.db2.gz IHFUKTFZKJHVSV-CYBMUJFWSA-N 1 2 311.816 4.332 20 30 DIEDLO CC(C)(C)[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1F ZINC000592097232 1050272204 /nfs/dbraw/zinc/27/22/04/1050272204.db2.gz HNUUGUZUQLSGNH-KRWDZBQOSA-N 1 2 315.367 4.108 20 30 DIEDLO CCOc1cccc(/C=[NH+]/CC[C@H](OC)C(CC)CC)c1O ZINC000746521102 1050306789 /nfs/dbraw/zinc/30/67/89/1050306789.db2.gz DPGWXSRGYPQJFI-HUCUOGIVSA-N 1 2 307.434 4.051 20 30 DIEDLO CCOc1c(F)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001143745177 1050350571 /nfs/dbraw/zinc/35/05/71/1050350571.db2.gz OLSPOVPRDNFNDO-GFCCVEGCSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1c(F)cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001143745177 1050350587 /nfs/dbraw/zinc/35/05/87/1050350587.db2.gz OLSPOVPRDNFNDO-GFCCVEGCSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1c(F)cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1Cl ZINC001143745424 1050350753 /nfs/dbraw/zinc/35/07/53/1050350753.db2.gz YXZVSPRPAHOTOG-DEZZGGKRSA-N 1 2 322.811 4.144 20 30 DIEDLO CCOc1c(F)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1Cl ZINC001143745424 1050350770 /nfs/dbraw/zinc/35/07/70/1050350770.db2.gz YXZVSPRPAHOTOG-DEZZGGKRSA-N 1 2 322.811 4.144 20 30 DIEDLO CCOc1c(F)cc(C[NH+]2CCC(C)(C#N)CC2)cc1Cl ZINC001143745428 1050351067 /nfs/dbraw/zinc/35/10/67/1050351067.db2.gz ZDYUQOWNGATIQV-UHFFFAOYSA-N 1 2 310.800 4.003 20 30 DIEDLO N#CCC1CC[NH+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143859866 1050378389 /nfs/dbraw/zinc/37/83/89/1050378389.db2.gz CGUCZQVDNNSFQL-UHFFFAOYSA-N 1 2 301.192 4.258 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000735620382 1050412447 /nfs/dbraw/zinc/41/24/47/1050412447.db2.gz YUDLLQSGNMRBGD-GRZVLKHLSA-N 1 2 319.445 4.051 20 30 DIEDLO COc1cc(Cl)c(C[NH2+]CC2(C#N)CCCC2)cc1Cl ZINC000593652743 1050432576 /nfs/dbraw/zinc/43/25/76/1050432576.db2.gz JJCBFHADLUNTKQ-UHFFFAOYSA-N 1 2 313.228 4.176 20 30 DIEDLO CC[N@H+](Cc1cncc(C#N)c1)Cc1ccc(Cl)cc1Cl ZINC001144084526 1050462550 /nfs/dbraw/zinc/46/25/50/1050462550.db2.gz FYOXLQSFIVTJTG-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO CC[N@@H+](Cc1cncc(C#N)c1)Cc1ccc(Cl)cc1Cl ZINC001144084526 1050462553 /nfs/dbraw/zinc/46/25/53/1050462553.db2.gz FYOXLQSFIVTJTG-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO CC[N@H+](Cc1ccc(C#N)cn1)Cc1ccc(Cl)cc1Cl ZINC001144166500 1050486881 /nfs/dbraw/zinc/48/68/81/1050486881.db2.gz IFKHWNVRBYYJFL-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO CC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccc(Cl)cc1Cl ZINC001144166500 1050486889 /nfs/dbraw/zinc/48/68/89/1050486889.db2.gz IFKHWNVRBYYJFL-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO C=CCCCCC[N@@H+](C)Cn1c2c(sc1=O)C[C@@H](CC)CC2 ZINC000739887238 1050590161 /nfs/dbraw/zinc/59/01/61/1050590161.db2.gz JKQFIYJSRZBGRQ-HNNXBMFYSA-N 1 2 322.518 4.060 20 30 DIEDLO C=CCCCCC[N@H+](C)Cn1c2c(sc1=O)C[C@@H](CC)CC2 ZINC000739887238 1050590178 /nfs/dbraw/zinc/59/01/78/1050590178.db2.gz JKQFIYJSRZBGRQ-HNNXBMFYSA-N 1 2 322.518 4.060 20 30 DIEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1nc2c(s1)CCCC2 ZINC000595089971 1050610281 /nfs/dbraw/zinc/61/02/81/1050610281.db2.gz AXXGSPLLUROUJK-ZDUSSCGKSA-N 1 2 303.475 4.147 20 30 DIEDLO N#CC1(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCCCC1 ZINC000595092110 1050611749 /nfs/dbraw/zinc/61/17/49/1050611749.db2.gz XCXBJFYHJZEUQG-ZDUSSCGKSA-N 1 2 308.347 4.155 20 30 DIEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ncc(-c2ccccc2)n1C ZINC000595092201 1050611777 /nfs/dbraw/zinc/61/17/77/1050611777.db2.gz ZEMPHPLMAPGLER-MRXNPFEDSA-N 1 2 322.456 4.212 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1c[nH]c2cc(Cl)ccc12 ZINC000740765187 1050625985 /nfs/dbraw/zinc/62/59/85/1050625985.db2.gz RQHCUGNWUZVOSO-ALCCZGGFSA-N 1 2 321.767 4.365 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000595623081 1050652295 /nfs/dbraw/zinc/65/22/95/1050652295.db2.gz GNFMYIBTHZLXEG-ZDUSSCGKSA-N 1 2 315.804 4.121 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000595623081 1050652304 /nfs/dbraw/zinc/65/23/04/1050652304.db2.gz GNFMYIBTHZLXEG-ZDUSSCGKSA-N 1 2 315.804 4.121 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000595678407 1050658620 /nfs/dbraw/zinc/65/86/20/1050658620.db2.gz ZRJNXBBOZGQVFS-SFHVURJKSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000595678407 1050658630 /nfs/dbraw/zinc/65/86/30/1050658630.db2.gz ZRJNXBBOZGQVFS-SFHVURJKSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c(F)c1 ZINC000595675293 1050661088 /nfs/dbraw/zinc/66/10/88/1050661088.db2.gz MAJNDIBLVSHUHP-GOSISDBHSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)c(F)c1 ZINC000595675293 1050661093 /nfs/dbraw/zinc/66/10/93/1050661093.db2.gz MAJNDIBLVSHUHP-GOSISDBHSA-N 1 2 310.372 4.408 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(Cl)cc(Br)c1 ZINC001144689964 1050662742 /nfs/dbraw/zinc/66/27/42/1050662742.db2.gz CYTWPPXKAKRHKT-UHFFFAOYSA-N 1 2 315.642 4.228 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(Cl)cc(Br)c1 ZINC001144689964 1050662749 /nfs/dbraw/zinc/66/27/49/1050662749.db2.gz CYTWPPXKAKRHKT-UHFFFAOYSA-N 1 2 315.642 4.228 20 30 DIEDLO CC[N@H+](CC/C=C\c1ccc(Br)cc1)[C@@H](C)C#N ZINC000595813402 1050667628 /nfs/dbraw/zinc/66/76/28/1050667628.db2.gz MHURDPNMWRWOCE-AGLBCWCQSA-N 1 2 307.235 4.086 20 30 DIEDLO CC[N@@H+](CC/C=C\c1ccc(Br)cc1)[C@@H](C)C#N ZINC000595813402 1050667639 /nfs/dbraw/zinc/66/76/39/1050667639.db2.gz MHURDPNMWRWOCE-AGLBCWCQSA-N 1 2 307.235 4.086 20 30 DIEDLO Cc1cc(C)c(Nc2ccc(Br)cc2C#N)c[nH+]1 ZINC001213513323 1050676603 /nfs/dbraw/zinc/67/66/03/1050676603.db2.gz CDSDRKIHOHMJQW-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1cc(C)c(Nc2cc(F)c(Br)cc2C#N)c[nH+]1 ZINC001213521225 1050678621 /nfs/dbraw/zinc/67/86/21/1050678621.db2.gz ZYEKVXRGVSDUOK-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO COc1ccc([C@@H](C)CC/[NH+]=C/c2cc(OC)ccc2O)cc1 ZINC000741465563 1050682249 /nfs/dbraw/zinc/68/22/49/1050682249.db2.gz VPANAXWYYJOQDG-ZXOFLVKFSA-N 1 2 313.397 4.022 20 30 DIEDLO Cc1cccn2c(/C=C3/Cc4c(cccc4Cl)C3=O)c[nH+]c12 ZINC000741466853 1050683092 /nfs/dbraw/zinc/68/30/92/1050683092.db2.gz AOVKKELDBHNWFJ-WQLSENKSSA-N 1 2 308.768 4.119 20 30 DIEDLO C=CCCCCCCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001144797695 1050717145 /nfs/dbraw/zinc/71/71/45/1050717145.db2.gz IZINBLPZQOAHMP-QGZVFWFLSA-N 1 2 317.477 4.423 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846979780 1050796391 /nfs/dbraw/zinc/79/63/91/1050796391.db2.gz CQKPUABZKMQMGO-ZDUSSCGKSA-N 1 2 308.212 4.323 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000597173924 1050816891 /nfs/dbraw/zinc/81/68/91/1050816891.db2.gz NRPWKUVCLSZYLB-LLVKDONJSA-N 1 2 314.763 4.067 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000597173924 1050816907 /nfs/dbraw/zinc/81/69/07/1050816907.db2.gz NRPWKUVCLSZYLB-LLVKDONJSA-N 1 2 314.763 4.067 20 30 DIEDLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597173884 1050817701 /nfs/dbraw/zinc/81/77/01/1050817701.db2.gz MPYUTCMCNGUWDG-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597173884 1050817712 /nfs/dbraw/zinc/81/77/12/1050817712.db2.gz MPYUTCMCNGUWDG-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CC1(C#N)CCCCC1 ZINC000597601091 1050881229 /nfs/dbraw/zinc/88/12/29/1050881229.db2.gz XRMAPNQBJWOXAS-UHFFFAOYSA-N 1 2 322.412 4.188 20 30 DIEDLO COc1ccc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)cc1C#N ZINC000761239683 1050912612 /nfs/dbraw/zinc/91/26/12/1050912612.db2.gz KFLXVMSOERMCJO-UHFFFAOYSA-N 1 2 324.428 4.216 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000792233060 1051128145 /nfs/dbraw/zinc/12/81/45/1051128145.db2.gz VJLLYYQMBBEUAZ-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000792233060 1051128149 /nfs/dbraw/zinc/12/81/49/1051128149.db2.gz VJLLYYQMBBEUAZ-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO C[C@H](Cc1ccccc1Cl)[N@H+](CCC#N)Cc1cccnc1 ZINC001170264993 1051167508 /nfs/dbraw/zinc/16/75/08/1051167508.db2.gz CMFNJOUPPTZOBE-OAHLLOKOSA-N 1 2 313.832 4.082 20 30 DIEDLO C[C@H](Cc1ccccc1Cl)[N@@H+](CCC#N)Cc1cccnc1 ZINC001170264993 1051167512 /nfs/dbraw/zinc/16/75/12/1051167512.db2.gz CMFNJOUPPTZOBE-OAHLLOKOSA-N 1 2 313.832 4.082 20 30 DIEDLO Cc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc1C#N ZINC001216073108 1051564005 /nfs/dbraw/zinc/56/40/05/1051564005.db2.gz RMRVJPAOSTVQMH-UHFFFAOYSA-N 1 2 324.384 4.352 20 30 DIEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC001212695582 1051584519 /nfs/dbraw/zinc/58/45/19/1051584519.db2.gz MMFLNOCQVJSHMZ-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO CCCCCCCCC/C=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804331802 1051653336 /nfs/dbraw/zinc/65/33/36/1051653336.db2.gz DDCGGZUGEDQVBX-QXPKXGMISA-N 1 2 317.477 4.011 20 30 DIEDLO O=C1C=C2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)CC[C@@H]2S1 ZINC001173346801 1051707017 /nfs/dbraw/zinc/70/70/17/1051707017.db2.gz RNYKUJDPHBSNKW-HOTGVXAUSA-N 1 2 305.487 4.154 20 30 DIEDLO O=C1C=C2C[N@@H+]([C@H]3CCCC4(CCCCC4)C3)CC[C@@H]2S1 ZINC001173346801 1051707032 /nfs/dbraw/zinc/70/70/32/1051707032.db2.gz RNYKUJDPHBSNKW-HOTGVXAUSA-N 1 2 305.487 4.154 20 30 DIEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000185560201 1051773791 /nfs/dbraw/zinc/77/37/91/1051773791.db2.gz ZRRKPWWCYKMJOX-LBPRGKRZSA-N 1 2 303.793 4.067 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000769330860 1052025610 /nfs/dbraw/zinc/02/56/10/1052025610.db2.gz DTVGUDQZPUNMLJ-OAHLLOKOSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000769330860 1052025618 /nfs/dbraw/zinc/02/56/18/1052025618.db2.gz DTVGUDQZPUNMLJ-OAHLLOKOSA-N 1 2 312.388 4.139 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(-c2ccccc2)o1 ZINC000769610005 1052087197 /nfs/dbraw/zinc/08/71/97/1052087197.db2.gz LAIBIVJXQFMSLN-KTKRTIGZSA-N 1 2 314.344 4.490 20 30 DIEDLO CC(=[NH+]Nc1ccc(Br)c(F)c1)c1ccc(N)cc1 ZINC000769829058 1052116346 /nfs/dbraw/zinc/11/63/46/1052116346.db2.gz ZBELCSVVPIRRDA-UHFFFAOYSA-N 1 2 322.181 4.007 20 30 DIEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc2ccc(SC)cc2nc1Cl ZINC000769962686 1052130272 /nfs/dbraw/zinc/13/02/72/1052130272.db2.gz HQTFMLOSRDCSSV-LLVKDONJSA-N 1 2 304.846 4.064 20 30 DIEDLO C#C[C@@H](C)[N@H+](C)Cc1cc2ccc(SC)cc2nc1Cl ZINC000769962686 1052130280 /nfs/dbraw/zinc/13/02/80/1052130280.db2.gz HQTFMLOSRDCSSV-LLVKDONJSA-N 1 2 304.846 4.064 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3c(C#N)cnn3C(C)(C)C)ccc21 ZINC001174380707 1052138733 /nfs/dbraw/zinc/13/87/33/1052138733.db2.gz KKFLGQVVQCXUEH-UHFFFAOYSA-N 1 2 322.416 4.184 20 30 DIEDLO COc1cc(C#N)ccc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174381978 1052140299 /nfs/dbraw/zinc/14/02/99/1052140299.db2.gz YHGGZFGZFZZUSU-UHFFFAOYSA-N 1 2 306.369 4.241 20 30 DIEDLO C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3cc(N)cc[nH+]3)[C@@H]12 ZINC001218335544 1052227585 /nfs/dbraw/zinc/22/75/85/1052227585.db2.gz MHOHTMVEJZTQOH-FDQCIGCSSA-N 1 2 322.408 4.070 20 30 DIEDLO CCc1ccccc1NN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915051843 1052329068 /nfs/dbraw/zinc/32/90/68/1052329068.db2.gz VBWFECAWVKASJP-UHFFFAOYSA-N 1 2 304.397 4.271 20 30 DIEDLO COc1cc(Cl)cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001205141547 1052408594 /nfs/dbraw/zinc/40/85/94/1052408594.db2.gz ZJEMWBFLFZTVLU-RGVLZGJSSA-N 1 2 313.788 4.109 20 30 DIEDLO Cc1cccn2c(/C=C3\C(=O)c4cccc5c4[C@@H]3CCC5)c[nH+]c12 ZINC000763289926 1052556153 /nfs/dbraw/zinc/55/61/53/1052556153.db2.gz OPXJFEWHLRMWHC-CJMVGXJBSA-N 1 2 314.388 4.343 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3\C(=O)c4cccc5c4[C@H]3CCC5)n21 ZINC000763287327 1052556444 /nfs/dbraw/zinc/55/64/44/1052556444.db2.gz BNHJFCPDSMGECV-GYXHFJGISA-N 1 2 314.388 4.343 20 30 DIEDLO CCCN[NH+]=Cc1sc(Nc2ccc(C)cc2)nc1Cl ZINC000915965902 1052576320 /nfs/dbraw/zinc/57/63/20/1052576320.db2.gz RHRJSYKDVPPPJO-UHFFFAOYSA-N 1 2 308.838 4.182 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000127581449 1052699508 /nfs/dbraw/zinc/69/95/08/1052699508.db2.gz ISOWCZUWIOQLFZ-UHFFFAOYSA-N 1 2 324.424 4.010 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000127581449 1052699511 /nfs/dbraw/zinc/69/95/11/1052699511.db2.gz ISOWCZUWIOQLFZ-UHFFFAOYSA-N 1 2 324.424 4.010 20 30 DIEDLO CC[N@@H+](Cc1c(-c2ccccc2)nc2sccn12)C[C@H](C)C#N ZINC000919741947 1052886156 /nfs/dbraw/zinc/88/61/56/1052886156.db2.gz JLVWNLVBEHAPGL-CQSZACIVSA-N 1 2 324.453 4.044 20 30 DIEDLO CC[N@H+](Cc1c(-c2ccccc2)nc2sccn12)C[C@H](C)C#N ZINC000919741947 1052886159 /nfs/dbraw/zinc/88/61/59/1052886159.db2.gz JLVWNLVBEHAPGL-CQSZACIVSA-N 1 2 324.453 4.044 20 30 DIEDLO Fc1c(Cl)cccc1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921137818 1052962739 /nfs/dbraw/zinc/96/27/39/1052962739.db2.gz NBAJJQFXUQEVKW-UHFFFAOYSA-N 1 2 314.751 4.111 20 30 DIEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000609895293 1052998438 /nfs/dbraw/zinc/99/84/38/1052998438.db2.gz KSJUNEUHIFRJKT-UHFFFAOYSA-N 1 2 312.363 4.216 20 30 DIEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000610003992 1053002133 /nfs/dbraw/zinc/00/21/33/1053002133.db2.gz WXSWMQLLOODGJH-AWEZNQCLSA-N 1 2 319.383 4.069 20 30 DIEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000610003992 1053002137 /nfs/dbraw/zinc/00/21/37/1053002137.db2.gz WXSWMQLLOODGJH-AWEZNQCLSA-N 1 2 319.383 4.069 20 30 DIEDLO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccc3[nH]c(C)[nH+]c3c2)O1 ZINC001228325603 1053074252 /nfs/dbraw/zinc/07/42/52/1053074252.db2.gz BLCOTHLIUOJNDH-SJLPKXTDSA-N 1 2 300.402 4.152 20 30 DIEDLO Cc1csc(CCC/[NH+]=C\c2c(O)ccc3ccccc32)n1 ZINC001318173912 1053154068 /nfs/dbraw/zinc/15/40/68/1053154068.db2.gz GLJYAMSTGBKLBI-ODLFYWEKSA-N 1 2 310.422 4.362 20 30 DIEDLO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)cc1F ZINC000181652458 1053272095 /nfs/dbraw/zinc/27/20/95/1053272095.db2.gz PXEXGPCIFQSMOP-SFHVURJKSA-N 1 2 318.342 4.462 20 30 DIEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1c(F)cccc1Cl ZINC000181729970 1053284831 /nfs/dbraw/zinc/28/48/31/1053284831.db2.gz CLZCLHICAMFVQY-SNVBAGLBSA-N 1 2 306.743 4.341 20 30 DIEDLO N#Cc1ccc(F)c(CSCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001320688125 1053355663 /nfs/dbraw/zinc/35/56/63/1053355663.db2.gz ZHVXIRVABRSAKR-UHFFFAOYSA-N 1 2 323.396 4.316 20 30 DIEDLO N#Cc1ccc(CSCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC001321024960 1053382407 /nfs/dbraw/zinc/38/24/07/1053382407.db2.gz SWJRTJNYMQLHLW-UHFFFAOYSA-N 1 2 323.396 4.316 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cc(Cl)ccc1Cl ZINC001326684730 1053797483 /nfs/dbraw/zinc/79/74/83/1053797483.db2.gz MFHLKOMKYKMQIM-VMPITWQZSA-N 1 2 321.207 4.351 20 30 DIEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC001231814092 1053871309 /nfs/dbraw/zinc/87/13/09/1053871309.db2.gz GVTSKJAHOOIJOA-HNNXBMFYSA-N 1 2 312.800 4.478 20 30 DIEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC001231814092 1053871328 /nfs/dbraw/zinc/87/13/28/1053871328.db2.gz GVTSKJAHOOIJOA-HNNXBMFYSA-N 1 2 312.800 4.478 20 30 DIEDLO COc1cccc2c(C[N@H+](CCC#N)Cc3ccccc3)c[nH]c21 ZINC001231896246 1053909459 /nfs/dbraw/zinc/90/94/59/1053909459.db2.gz SYEVFNHHUZGGJD-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO COc1cccc2c(C[N@@H+](CCC#N)Cc3ccccc3)c[nH]c21 ZINC001231896246 1053909472 /nfs/dbraw/zinc/90/94/72/1053909472.db2.gz SYEVFNHHUZGGJD-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO C=CC[N@H+](Cc1cc(F)c(O)c(Br)c1)C(C)(C)C ZINC001232637164 1054091083 /nfs/dbraw/zinc/09/10/83/1054091083.db2.gz OAQLOEGGJCSPER-UHFFFAOYSA-N 1 2 316.214 4.080 20 30 DIEDLO C=CC[N@@H+](Cc1cc(F)c(O)c(Br)c1)C(C)(C)C ZINC001232637164 1054091097 /nfs/dbraw/zinc/09/10/97/1054091097.db2.gz OAQLOEGGJCSPER-UHFFFAOYSA-N 1 2 316.214 4.080 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001232678467 1054097514 /nfs/dbraw/zinc/09/75/14/1054097514.db2.gz AJNZBIURLCMUJR-CYBMUJFWSA-N 1 2 318.829 4.316 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001232678467 1054097525 /nfs/dbraw/zinc/09/75/25/1054097525.db2.gz AJNZBIURLCMUJR-CYBMUJFWSA-N 1 2 318.829 4.316 20 30 DIEDLO C[N@H+](Cc1cc(C#N)ccc1O)Cc1cccc(Cl)c1Cl ZINC001232679779 1054099132 /nfs/dbraw/zinc/09/91/32/1054099132.db2.gz RWBYVJFIBJXSEO-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1cc(C#N)ccc1O)Cc1cccc(Cl)c1Cl ZINC001232679779 1054099138 /nfs/dbraw/zinc/09/91/38/1054099138.db2.gz RWBYVJFIBJXSEO-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@H+](Cc1ccc2ccccc2c1)Cc1cc(C#N)ccc1O ZINC001232677314 1054100023 /nfs/dbraw/zinc/10/00/23/1054100023.db2.gz AVWPZSVOCZYAMN-UHFFFAOYSA-N 1 2 302.377 4.049 20 30 DIEDLO C[N@@H+](Cc1ccc2ccccc2c1)Cc1cc(C#N)ccc1O ZINC001232677314 1054100026 /nfs/dbraw/zinc/10/00/26/1054100026.db2.gz AVWPZSVOCZYAMN-UHFFFAOYSA-N 1 2 302.377 4.049 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(F)c1Cl ZINC001232879753 1054137488 /nfs/dbraw/zinc/13/74/88/1054137488.db2.gz UIGAYRKCZWOBNB-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(F)c1Cl ZINC001232879753 1054137498 /nfs/dbraw/zinc/13/74/98/1054137498.db2.gz UIGAYRKCZWOBNB-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(F)ccc1C#N ZINC001232894508 1054143375 /nfs/dbraw/zinc/14/33/75/1054143375.db2.gz XOSIRBJUOHUBHS-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(F)ccc1C#N ZINC001232894508 1054143380 /nfs/dbraw/zinc/14/33/80/1054143380.db2.gz XOSIRBJUOHUBHS-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO Cc1cccc(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC001232893006 1054143392 /nfs/dbraw/zinc/14/33/92/1054143392.db2.gz MQLMINSVQZRMCY-UHFFFAOYSA-N 1 2 324.399 4.049 20 30 DIEDLO CSc1ccc(C[NH2+]Cc2csc(C(C)C)n2)cc1C#N ZINC001333466554 1054155388 /nfs/dbraw/zinc/15/53/88/1054155388.db2.gz LKMYFNJYLYSZHU-UHFFFAOYSA-N 1 2 317.483 4.150 20 30 DIEDLO C=CC[N@@H+](Cc1sccc1C(=O)OCC)Cc1ccccc1 ZINC001233022279 1054173822 /nfs/dbraw/zinc/17/38/22/1054173822.db2.gz YYFWXHRUGVLHKU-UHFFFAOYSA-N 1 2 315.438 4.113 20 30 DIEDLO C=CC[N@H+](Cc1sccc1C(=O)OCC)Cc1ccccc1 ZINC001233022279 1054173829 /nfs/dbraw/zinc/17/38/29/1054173829.db2.gz YYFWXHRUGVLHKU-UHFFFAOYSA-N 1 2 315.438 4.113 20 30 DIEDLO C[N@H+](Cc1[nH]ccc1C#N)C(c1ccccc1)c1ccccc1 ZINC001233042094 1054178279 /nfs/dbraw/zinc/17/82/79/1054178279.db2.gz DMRPHPBYAJAJDG-UHFFFAOYSA-N 1 2 301.393 4.108 20 30 DIEDLO C[N@@H+](Cc1[nH]ccc1C#N)C(c1ccccc1)c1ccccc1 ZINC001233042094 1054178288 /nfs/dbraw/zinc/17/82/88/1054178288.db2.gz DMRPHPBYAJAJDG-UHFFFAOYSA-N 1 2 301.393 4.108 20 30 DIEDLO C=C(C)C[N@@H+](CC)Cc1c(F)cc(Br)c(F)c1F ZINC001233062437 1054180857 /nfs/dbraw/zinc/18/08/57/1054180857.db2.gz NEZPNNINODZTPA-UHFFFAOYSA-N 1 2 322.168 4.264 20 30 DIEDLO C=C(C)C[N@H+](CC)Cc1c(F)cc(Br)c(F)c1F ZINC001233062437 1054180865 /nfs/dbraw/zinc/18/08/65/1054180865.db2.gz NEZPNNINODZTPA-UHFFFAOYSA-N 1 2 322.168 4.264 20 30 DIEDLO N#CC1CC[NH+](Cc2ccc(F)cc2OCc2ccccc2)CC1 ZINC001233243649 1054211991 /nfs/dbraw/zinc/21/19/91/1054211991.db2.gz CKRPQKQPFKKLIJ-UHFFFAOYSA-N 1 2 324.399 4.140 20 30 DIEDLO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)cc(C)c1OCc1ccccc1 ZINC001233329298 1054232183 /nfs/dbraw/zinc/23/21/83/1054232183.db2.gz PISFRCQMNHCJJI-IBGZPJMESA-N 1 2 320.436 4.228 20 30 DIEDLO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)cc(C)c1OCc1ccccc1 ZINC001233329298 1054232193 /nfs/dbraw/zinc/23/21/93/1054232193.db2.gz PISFRCQMNHCJJI-IBGZPJMESA-N 1 2 320.436 4.228 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(O)c1Cl ZINC001233401411 1054262580 /nfs/dbraw/zinc/26/25/80/1054262580.db2.gz YJAQIRCWZSQDIC-UHFFFAOYSA-N 1 2 317.816 4.242 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(O)c1Cl ZINC001233401411 1054262590 /nfs/dbraw/zinc/26/25/90/1054262590.db2.gz YJAQIRCWZSQDIC-UHFFFAOYSA-N 1 2 317.816 4.242 20 30 DIEDLO N#CCC[N@@H+](Cc1csc(Br)c1)C1CCCC1 ZINC001233414387 1054268219 /nfs/dbraw/zinc/26/82/19/1054268219.db2.gz DSVPZQGCZMLTER-UHFFFAOYSA-N 1 2 313.264 4.169 20 30 DIEDLO N#CCC[N@H+](Cc1csc(Br)c1)C1CCCC1 ZINC001233414387 1054268226 /nfs/dbraw/zinc/26/82/26/1054268226.db2.gz DSVPZQGCZMLTER-UHFFFAOYSA-N 1 2 313.264 4.169 20 30 DIEDLO CCC[C@@H](C[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000180059149 1054730433 /nfs/dbraw/zinc/73/04/33/1054730433.db2.gz NQWAXYOAHYFTSC-IBGZPJMESA-N 1 2 307.441 4.381 20 30 DIEDLO CCC[C@@H](C[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000180059149 1054730448 /nfs/dbraw/zinc/73/04/48/1054730448.db2.gz NQWAXYOAHYFTSC-IBGZPJMESA-N 1 2 307.441 4.381 20 30 DIEDLO N#Cc1cc(F)c(C[N@H+]2CC=C(c3ccccc3)CC2)c(F)c1 ZINC001235660525 1054765786 /nfs/dbraw/zinc/76/57/86/1054765786.db2.gz GLKMIQBOOQBCTN-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO N#Cc1cc(F)c(C[N@@H+]2CC=C(c3ccccc3)CC2)c(F)c1 ZINC001235660525 1054765798 /nfs/dbraw/zinc/76/57/98/1054765798.db2.gz GLKMIQBOOQBCTN-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000183821453 1055059380 /nfs/dbraw/zinc/05/93/80/1055059380.db2.gz YSZYHFVYNSBPMZ-LLVKDONJSA-N 1 2 308.303 4.215 20 30 DIEDLO N#Cc1ccccc1OC1C[NH+](Cc2cccc3sccc32)C1 ZINC001236684973 1055228105 /nfs/dbraw/zinc/22/81/05/1055228105.db2.gz ACGGZLNKZPVSBM-UHFFFAOYSA-N 1 2 320.417 4.036 20 30 DIEDLO CCCCN(CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236922239 1055317734 /nfs/dbraw/zinc/31/77/34/1055317734.db2.gz OXWVZHKOIOEWMB-UHFFFAOYSA-N 1 2 316.836 4.041 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(-c2ccccc2F)nc1 ZINC001236990692 1055329649 /nfs/dbraw/zinc/32/96/49/1055329649.db2.gz LMFDONFZKCSRQJ-UHFFFAOYSA-N 1 2 311.404 4.403 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2F)nc1 ZINC001236990692 1055329664 /nfs/dbraw/zinc/32/96/64/1055329664.db2.gz LMFDONFZKCSRQJ-UHFFFAOYSA-N 1 2 311.404 4.403 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(C#N)c(F)cc1F ZINC001237529533 1055469753 /nfs/dbraw/zinc/46/97/53/1055469753.db2.gz GKCIOBRNHCUPJO-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(C#N)c(F)cc1F ZINC001237529533 1055469758 /nfs/dbraw/zinc/46/97/58/1055469758.db2.gz GKCIOBRNHCUPJO-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CCn1c[nH+]cc1CN(C1=CC(=O)CCC1)[C@H](C)c1ccccc1 ZINC001237592068 1055482466 /nfs/dbraw/zinc/48/24/66/1055482466.db2.gz DAMNBMYKIFTQRF-MRXNPFEDSA-N 1 2 323.440 4.103 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCSc3ccccc3C2)ccc1Cl ZINC001238199001 1055617031 /nfs/dbraw/zinc/61/70/31/1055617031.db2.gz OLQWUFBOTGOGNR-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCSc3ccccc3C2)ccc1Cl ZINC001238199001 1055617038 /nfs/dbraw/zinc/61/70/38/1055617038.db2.gz OLQWUFBOTGOGNR-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO C=CC1(CC(=O)N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)CCCCC1 ZINC001595995322 1055658159 /nfs/dbraw/zinc/65/81/59/1055658159.db2.gz FXITWHWUOCKBNC-MRXNPFEDSA-N 1 2 315.461 4.217 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(OCC)cc(C(F)(F)F)c1 ZINC001238494566 1055671612 /nfs/dbraw/zinc/67/16/12/1055671612.db2.gz FUQIVWUXSYIRDA-UHFFFAOYSA-N 1 2 314.351 4.230 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(OCC)cc(C(F)(F)F)c1 ZINC001238494566 1055671618 /nfs/dbraw/zinc/67/16/18/1055671618.db2.gz FUQIVWUXSYIRDA-UHFFFAOYSA-N 1 2 314.351 4.230 20 30 DIEDLO C=C(C)CCc1ccccc1-c1ccc(C[NH+]2CCOCC2)nc1 ZINC001239590248 1055967711 /nfs/dbraw/zinc/96/77/11/1055967711.db2.gz KHKDURHVYPMQDL-UHFFFAOYSA-N 1 2 322.452 4.090 20 30 DIEDLO Cc1ccc2[nH+]cc(CNc3ccc(C4CC4)c(C#N)c3)n2c1 ZINC001621046442 1056007085 /nfs/dbraw/zinc/00/70/85/1056007085.db2.gz GTWAXUSXIGEPMD-UHFFFAOYSA-N 1 2 302.381 4.004 20 30 DIEDLO C=C1CCC(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CC1 ZINC001583354519 1056070004 /nfs/dbraw/zinc/07/00/04/1056070004.db2.gz DBTUQPQNHTUNFP-UHFFFAOYSA-N 1 2 309.413 4.378 20 30 DIEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC001611712391 1056180639 /nfs/dbraw/zinc/18/06/39/1056180639.db2.gz GVYRDJNUXNUCLS-UHFFFAOYSA-N 1 2 322.368 4.119 20 30 DIEDLO CCCC[N@H+](C)c1ccc(Nc2cc(C#N)nc(C3CC3)n2)cc1 ZINC001611953164 1056215489 /nfs/dbraw/zinc/21/54/89/1056215489.db2.gz UAYLRINTSXQEDS-UHFFFAOYSA-N 1 2 321.428 4.206 20 30 DIEDLO CCCC[N@@H+](C)c1ccc(Nc2cc(C#N)nc(C3CC3)n2)cc1 ZINC001611953164 1056215490 /nfs/dbraw/zinc/21/54/90/1056215490.db2.gz UAYLRINTSXQEDS-UHFFFAOYSA-N 1 2 321.428 4.206 20 30 DIEDLO N#Cc1ccc(-c2ccc(F)cc2)nc1-c1ccc2[nH+]ccn2c1 ZINC001240213887 1056372165 /nfs/dbraw/zinc/37/21/65/1056372165.db2.gz HEMGZUBDGBFJIR-UHFFFAOYSA-N 1 2 314.323 4.074 20 30 DIEDLO N#CCc1ccc(C(F)(F)F)cc1-c1ccc2[nH+]ccn2c1 ZINC001240218683 1056375342 /nfs/dbraw/zinc/37/53/42/1056375342.db2.gz JVKPRIALCHQUNL-UHFFFAOYSA-N 1 2 301.271 4.086 20 30 DIEDLO N#Cc1ccc(-c2ccc(F)cc2)nc1-c1ccn2cc[nH+]c2c1 ZINC001240495999 1056538353 /nfs/dbraw/zinc/53/83/53/1056538353.db2.gz FROYZALKHHJLSL-UHFFFAOYSA-N 1 2 314.323 4.074 20 30 DIEDLO CCCCCCCCCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC001615988905 1056604109 /nfs/dbraw/zinc/60/41/09/1056604109.db2.gz QJDPRHBAGRWWDA-QGZVFWFLSA-N 1 2 322.518 4.362 20 30 DIEDLO CCCCCCCCCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC001615988905 1056604114 /nfs/dbraw/zinc/60/41/14/1056604114.db2.gz QJDPRHBAGRWWDA-QGZVFWFLSA-N 1 2 322.518 4.362 20 30 DIEDLO F[C@]1(c2ccccc2)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001617531693 1056845065 /nfs/dbraw/zinc/84/50/65/1056845065.db2.gz BRWMNHCLJJEIDC-LJQANCHMSA-N 1 2 313.803 4.262 20 30 DIEDLO F[C@]1(c2ccccc2)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001617531693 1056845073 /nfs/dbraw/zinc/84/50/73/1056845073.db2.gz BRWMNHCLJJEIDC-LJQANCHMSA-N 1 2 313.803 4.262 20 30 DIEDLO N#Cc1cc(F)ccc1C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001617837150 1056891473 /nfs/dbraw/zinc/89/14/73/1056891473.db2.gz RKFCAUDCPWUVAV-UHFFFAOYSA-N 1 2 306.384 4.135 20 30 DIEDLO N#Cc1cc(F)ccc1C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001617837150 1056891476 /nfs/dbraw/zinc/89/14/76/1056891476.db2.gz RKFCAUDCPWUVAV-UHFFFAOYSA-N 1 2 306.384 4.135 20 30 DIEDLO Cc1cc(N(C)C)[nH+]cc1-c1nc(-c2ccccc2)ccc1C#N ZINC001241227774 1056969666 /nfs/dbraw/zinc/96/96/66/1056969666.db2.gz BYRHRBDNWHSVJV-UHFFFAOYSA-N 1 2 314.392 4.057 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)o1 ZINC000125312756 1057065528 /nfs/dbraw/zinc/06/55/28/1057065528.db2.gz XPKOGHQSKOZRPN-AWEZNQCLSA-N 1 2 312.266 4.074 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnc(-c2cccs2)o1 ZINC000611387906 1057594596 /nfs/dbraw/zinc/59/45/96/1057594596.db2.gz HPRZCNHKYNOVPG-NWDGAFQWSA-N 1 2 324.409 4.082 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2cccs2)o1)c1cccc(C#N)c1 ZINC000611387905 1057594615 /nfs/dbraw/zinc/59/46/15/1057594615.db2.gz HPRZCNHKYNOVPG-NEPJUHHUSA-N 1 2 324.409 4.082 20 30 DIEDLO Clc1cccc(Cl)c1C=NNc1cc[nH+]c2ccccc12 ZINC000730148024 1057704275 /nfs/dbraw/zinc/70/42/75/1057704275.db2.gz MHSYIWWWJDNXDS-UHFFFAOYSA-N 1 2 316.191 4.410 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(F)cc1Cl ZINC000730148276 1057704519 /nfs/dbraw/zinc/70/45/19/1057704519.db2.gz PFUICJNFBWIFAW-UHFFFAOYSA-N 1 2 313.763 4.285 20 30 DIEDLO CCN(CC)c1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001243881854 1057798292 /nfs/dbraw/zinc/79/82/92/1057798292.db2.gz ZMYGXFXZFBBJLA-PXLXIMEGSA-N 1 2 320.440 4.293 20 30 DIEDLO N#CC1(c2cccc(-c3cc[nH+]c(N4CCCCC4)c3)c2)CC1 ZINC001244074341 1057859107 /nfs/dbraw/zinc/85/91/07/1057859107.db2.gz NOUFMIOUZYZBBF-UHFFFAOYSA-N 1 2 303.409 4.294 20 30 DIEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(C#N)cc1Cl ZINC001244330850 1057935349 /nfs/dbraw/zinc/93/53/49/1057935349.db2.gz BCACDXAPORFNCV-UHFFFAOYSA-N 1 2 309.756 4.073 20 30 DIEDLO CC(C)c1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1N ZINC001244334735 1057935813 /nfs/dbraw/zinc/93/58/13/1057935813.db2.gz LXQCAMYGQAPQIN-WSDLNYQXSA-N 1 2 306.413 4.152 20 30 DIEDLO N#Cc1ccc2c(c1)nccc2-c1c[nH+]cn1Cc1ccccc1 ZINC001245196281 1058125939 /nfs/dbraw/zinc/12/59/39/1058125939.db2.gz AUNRYFWQMBDZDY-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO Cc1cccc(C#N)c1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC001559458702 1059242081 /nfs/dbraw/zinc/24/20/81/1059242081.db2.gz SBDWCAPPJVRLAW-UHFFFAOYSA-N 1 2 305.406 4.345 20 30 DIEDLO C#CCCCCCCN1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC001559553045 1059365862 /nfs/dbraw/zinc/36/58/62/1059365862.db2.gz SBIJGJZWGQIHFZ-UHFFFAOYSA-N 1 2 318.530 4.012 20 30 DIEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001559557645 1059372203 /nfs/dbraw/zinc/37/22/03/1059372203.db2.gz DNFNPPMPLSWQNL-AWEZNQCLSA-N 1 2 313.803 4.450 20 30 DIEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001559557645 1059372222 /nfs/dbraw/zinc/37/22/22/1059372222.db2.gz DNFNPPMPLSWQNL-AWEZNQCLSA-N 1 2 313.803 4.450 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(Cl)cc1Cl ZINC001559791984 1059629807 /nfs/dbraw/zinc/62/98/07/1059629807.db2.gz UHTOVLSOLAIMFB-SNVBAGLBSA-N 1 2 306.196 4.111 20 30 DIEDLO C[C@@H](CCSc1ccccc1)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC001559960088 1059769890 /nfs/dbraw/zinc/76/98/90/1059769890.db2.gz JIIHBRBIKZXKIQ-HNNXBMFYSA-N 1 2 308.450 4.445 20 30 DIEDLO C[C@@H](CCSc1ccccc1)[N@H+]1Cc2cccc(C#N)c2C1 ZINC001559960088 1059769905 /nfs/dbraw/zinc/76/99/05/1059769905.db2.gz JIIHBRBIKZXKIQ-HNNXBMFYSA-N 1 2 308.450 4.445 20 30 DIEDLO C=C(C)CC[N@@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001559978915 1059786148 /nfs/dbraw/zinc/78/61/48/1059786148.db2.gz MJMHNODGDDDCNZ-UHFFFAOYSA-N 1 2 319.246 4.255 20 30 DIEDLO C=C(C)CC[N@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001559978915 1059786173 /nfs/dbraw/zinc/78/61/73/1059786173.db2.gz MJMHNODGDDDCNZ-UHFFFAOYSA-N 1 2 319.246 4.255 20 30 DIEDLO FC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC001560086565 1059898208 /nfs/dbraw/zinc/89/82/08/1059898208.db2.gz IERHTQPBDWPVIQ-KRWDZBQOSA-N 1 2 305.755 4.131 20 30 DIEDLO CCc1cc(C#N)ccc1C[N@H+](C)Cc1csc(C(C)C)n1 ZINC001248751625 1059965474 /nfs/dbraw/zinc/96/54/74/1059965474.db2.gz DHAKRJYPFPOPDH-UHFFFAOYSA-N 1 2 313.470 4.333 20 30 DIEDLO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1csc(C(C)C)n1 ZINC001248751625 1059965493 /nfs/dbraw/zinc/96/54/93/1059965493.db2.gz DHAKRJYPFPOPDH-UHFFFAOYSA-N 1 2 313.470 4.333 20 30 DIEDLO C=CC[C@@H]1CC[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC001560207389 1059983357 /nfs/dbraw/zinc/98/33/57/1059983357.db2.gz MIJJRBTXKZOBTD-LLVKDONJSA-N 1 2 300.627 4.253 20 30 DIEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(Br)c(Cl)c1 ZINC001560207389 1059983371 /nfs/dbraw/zinc/98/33/71/1059983371.db2.gz MIJJRBTXKZOBTD-LLVKDONJSA-N 1 2 300.627 4.253 20 30 DIEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC001560209839 1059989799 /nfs/dbraw/zinc/98/97/99/1059989799.db2.gz ZBMZVDSLQAXCRX-INIZCTEOSA-N 1 2 314.816 4.291 20 30 DIEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC001560209839 1059989817 /nfs/dbraw/zinc/98/98/17/1059989817.db2.gz ZBMZVDSLQAXCRX-INIZCTEOSA-N 1 2 314.816 4.291 20 30 DIEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC001560209305 1059990302 /nfs/dbraw/zinc/99/03/02/1059990302.db2.gz MFDFWOCEYYTRHP-ZDUSSCGKSA-N 1 2 316.857 4.451 20 30 DIEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC001560209305 1059990319 /nfs/dbraw/zinc/99/03/19/1059990319.db2.gz MFDFWOCEYYTRHP-ZDUSSCGKSA-N 1 2 316.857 4.451 20 30 DIEDLO N#Cc1ccc2cc(C[N@@H+]3CCc4cc(Cl)ccc4C3)[nH]c2c1 ZINC001249429754 1060246241 /nfs/dbraw/zinc/24/62/41/1060246241.db2.gz OKWWNWAXXPQSGF-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO N#Cc1ccc2cc(C[N@H+]3CCc4cc(Cl)ccc4C3)[nH]c2c1 ZINC001249429754 1060246254 /nfs/dbraw/zinc/24/62/54/1060246254.db2.gz OKWWNWAXXPQSGF-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO Cc1cc(C(F)(F)F)c(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001249514361 1060273536 /nfs/dbraw/zinc/27/35/36/1060273536.db2.gz HYUIPZXBEBASCK-UHFFFAOYSA-N 1 2 311.351 4.067 20 30 DIEDLO Cc1cc(C(F)(F)F)c(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001249514361 1060273556 /nfs/dbraw/zinc/27/35/56/1060273556.db2.gz HYUIPZXBEBASCK-UHFFFAOYSA-N 1 2 311.351 4.067 20 30 DIEDLO Cc1ccc(C#N)c(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c1 ZINC001249895695 1060461319 /nfs/dbraw/zinc/46/13/19/1060461319.db2.gz ODCLICHPGOWKQP-UHFFFAOYSA-N 1 2 324.384 4.352 20 30 DIEDLO CN(c1ccc(Cc2cccc(C#N)c2)c[nH+]1)C1CCCCC1 ZINC001250051032 1060568462 /nfs/dbraw/zinc/56/84/62/1060568462.db2.gz UEJUZFOFTSQCHK-UHFFFAOYSA-N 1 2 305.425 4.313 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cc(F)ncc1F)c1ccc(F)c(F)c1 ZINC001560764705 1060629817 /nfs/dbraw/zinc/62/98/17/1060629817.db2.gz OJTWOQXEPXYQRZ-MRXNPFEDSA-N 1 2 310.294 4.045 20 30 DIEDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@H+]2C[C@H](C)CCC#N ZINC001560895657 1060758439 /nfs/dbraw/zinc/75/84/39/1060758439.db2.gz VZKCIEBMYUSQGB-WBVHZDCISA-N 1 2 300.446 4.270 20 30 DIEDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@@H+]2C[C@H](C)CCC#N ZINC001560895657 1060758447 /nfs/dbraw/zinc/75/84/47/1060758447.db2.gz VZKCIEBMYUSQGB-WBVHZDCISA-N 1 2 300.446 4.270 20 30 DIEDLO Clc1cccc(C#CC[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC001473221966 1061000814 /nfs/dbraw/zinc/00/08/14/1061000814.db2.gz MSXAFGZZFCJFIA-UHFFFAOYSA-N 1 2 317.860 4.117 20 30 DIEDLO Clc1cccc(C#CC[N@H+]2CCOC3(C2)CCCCCC3)c1 ZINC001473221966 1061000830 /nfs/dbraw/zinc/00/08/30/1061000830.db2.gz MSXAFGZZFCJFIA-UHFFFAOYSA-N 1 2 317.860 4.117 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)c(F)c1 ZINC001462514007 1061222356 /nfs/dbraw/zinc/22/23/56/1061222356.db2.gz DCHOQTDGJHHECT-IBGZPJMESA-N 1 2 312.363 4.158 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)c(F)c1 ZINC001462514007 1061222379 /nfs/dbraw/zinc/22/23/79/1061222379.db2.gz DCHOQTDGJHHECT-IBGZPJMESA-N 1 2 312.363 4.158 20 30 DIEDLO C=CCC1(O)C[NH+](Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC001462668068 1061328926 /nfs/dbraw/zinc/32/89/26/1061328926.db2.gz YEFRTIATSXCVOK-UHFFFAOYSA-N 1 2 313.828 4.130 20 30 DIEDLO CCc1cc(C#N)ccc1-c1[nH]c2ccc(N3CCCC3)cc2[nH+]1 ZINC001251783717 1061484841 /nfs/dbraw/zinc/48/48/41/1061484841.db2.gz SYWPGYORMHTIFS-UHFFFAOYSA-N 1 2 316.408 4.264 20 30 DIEDLO CCCCCCCCCC[C@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252982348 1061771734 /nfs/dbraw/zinc/77/17/34/1061771734.db2.gz CBYHZRDYFAZMML-KRWDZBQOSA-N 1 2 322.493 4.233 20 30 DIEDLO CCCCCCCCCC[C@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252982348 1061771755 /nfs/dbraw/zinc/77/17/55/1061771755.db2.gz CBYHZRDYFAZMML-KRWDZBQOSA-N 1 2 322.493 4.233 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1c(O)ccc(Cl)c1F ZINC001474334311 1061928046 /nfs/dbraw/zinc/92/80/46/1061928046.db2.gz LFPKDHFTOWTGIN-UHFFFAOYSA-N 1 2 305.780 4.373 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1c(O)ccc(Cl)c1F ZINC001474334311 1061928069 /nfs/dbraw/zinc/92/80/69/1061928069.db2.gz LFPKDHFTOWTGIN-UHFFFAOYSA-N 1 2 305.780 4.373 20 30 DIEDLO CC[C@H](CC#N)[NH2+]C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC001255149693 1062343021 /nfs/dbraw/zinc/34/30/21/1062343021.db2.gz LXKGLRJENOQOKO-QGZVFWFLSA-N 1 2 324.424 4.075 20 30 DIEDLO CC[C@H](CC#N)[NH2+]C1(c2ccccc2Br)CCC1 ZINC001255160388 1062346360 /nfs/dbraw/zinc/34/63/60/1062346360.db2.gz JFHCZRKKNLHUKQ-GFCCVEGCSA-N 1 2 307.235 4.110 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001255158801 1062346442 /nfs/dbraw/zinc/34/64/42/1062346442.db2.gz NINWAJWRPHOBNA-JTQLQIEISA-N 1 2 308.706 4.280 20 30 DIEDLO COc1cccc(Nc2ccc(NC[C@H](C)CCC#N)[nH+]c2)c1 ZINC001474630834 1062352808 /nfs/dbraw/zinc/35/28/08/1062352808.db2.gz PQGLNJYZIKCOQJ-CQSZACIVSA-N 1 2 310.401 4.186 20 30 DIEDLO CCC(C#N)(CC)[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001256217680 1062750228 /nfs/dbraw/zinc/75/02/28/1062750228.db2.gz KSNQOHUNOHNMER-CYBMUJFWSA-N 1 2 323.278 4.442 20 30 DIEDLO CCCCCCCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001470385917 1062766988 /nfs/dbraw/zinc/76/69/88/1062766988.db2.gz UQBWXYQURZEGOK-CALCHBBNSA-N 1 2 317.477 4.139 20 30 DIEDLO C[C@H]1[C@H](c2cccc(Cl)c2)OCC[N@@H+]1CCC(C)(C)C#N ZINC001460460066 1062866640 /nfs/dbraw/zinc/86/66/40/1062866640.db2.gz KPDQNPDLNSFQQV-XJKSGUPXSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1CCC(C)(C)C#N ZINC001460460066 1062866667 /nfs/dbraw/zinc/86/66/67/1062866667.db2.gz KPDQNPDLNSFQQV-XJKSGUPXSA-N 1 2 306.837 4.042 20 30 DIEDLO C#CC[N@H+](Cc1noc2c1CCCC2)[C@H]1CCCc2ccccc21 ZINC001460825952 1063083280 /nfs/dbraw/zinc/08/32/80/1063083280.db2.gz LUGOGYSFASBAON-FQEVSTJZSA-N 1 2 320.436 4.066 20 30 DIEDLO C#CC[N@@H+](Cc1noc2c1CCCC2)[C@H]1CCCc2ccccc21 ZINC001460825952 1063083313 /nfs/dbraw/zinc/08/33/13/1063083313.db2.gz LUGOGYSFASBAON-FQEVSTJZSA-N 1 2 320.436 4.066 20 30 DIEDLO C#CC[N@H+](Cc1nc2ccccc2[nH]1)[C@H]1CCCc2ccccc21 ZINC001460839839 1063094801 /nfs/dbraw/zinc/09/48/01/1063094801.db2.gz XBSMALMPHNFCOI-FQEVSTJZSA-N 1 2 315.420 4.076 20 30 DIEDLO C#CC[N@@H+](Cc1nc2ccccc2[nH]1)[C@H]1CCCc2ccccc21 ZINC001460839839 1063094822 /nfs/dbraw/zinc/09/48/22/1063094822.db2.gz XBSMALMPHNFCOI-FQEVSTJZSA-N 1 2 315.420 4.076 20 30 DIEDLO CCc1cc(N(Cc2ccc(C#N)cc2)CC(C)C)nc(CC)[nH+]1 ZINC001472674585 1063139468 /nfs/dbraw/zinc/13/94/68/1063139468.db2.gz XQHSEPUESUXLPW-UHFFFAOYSA-N 1 2 322.456 4.136 20 30 DIEDLO COc1ccc2cc(CC[C@@H](C)[N@@H+]3CCC[C@H]3C#N)ccc2c1 ZINC001257277956 1063177071 /nfs/dbraw/zinc/17/70/71/1063177071.db2.gz OROBHAAWYZTLGF-BEFAXECRSA-N 1 2 308.425 4.157 20 30 DIEDLO COc1ccc2cc(CC[C@@H](C)[N@H+]3CCC[C@H]3C#N)ccc2c1 ZINC001257277956 1063177079 /nfs/dbraw/zinc/17/70/79/1063177079.db2.gz OROBHAAWYZTLGF-BEFAXECRSA-N 1 2 308.425 4.157 20 30 DIEDLO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C1(C#N)CCCC1 ZINC001258304104 1063600247 /nfs/dbraw/zinc/60/02/47/1063600247.db2.gz ZDVBRQBQIKUETN-CQSZACIVSA-N 1 2 306.475 4.496 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1nc(C(C)(C)C)cs1 ZINC001262160529 1063958258 /nfs/dbraw/zinc/95/82/58/1063958258.db2.gz HXAGVJCQLJRXJP-NWDGAFQWSA-N 1 2 314.458 4.119 20 30 DIEDLO Cc1ccc2[nH+]c(CSc3cccc(C#N)c3Cl)cn2c1 ZINC001307399442 1065369435 /nfs/dbraw/zinc/36/94/35/1065369435.db2.gz IEZQCDJCUQTVEQ-UHFFFAOYSA-N 1 2 313.813 4.460 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c(Cl)c1 ZINC001307720200 1065583974 /nfs/dbraw/zinc/58/39/74/1065583974.db2.gz BKLMSEOGYBDLSC-SFHVURJKSA-N 1 2 314.791 4.282 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c(Cl)c1 ZINC001307720200 1065583982 /nfs/dbraw/zinc/58/39/82/1065583982.db2.gz BKLMSEOGYBDLSC-SFHVURJKSA-N 1 2 314.791 4.282 20 30 DIEDLO Cc1ccc(F)c(C[N@H+](C)CC#Cc2ccccc2Cl)c1 ZINC001307728190 1065588258 /nfs/dbraw/zinc/58/82/58/1065588258.db2.gz OOWKECNEYVCXMQ-UHFFFAOYSA-N 1 2 301.792 4.271 20 30 DIEDLO Cc1ccc(F)c(C[N@@H+](C)CC#Cc2ccccc2Cl)c1 ZINC001307728190 1065588265 /nfs/dbraw/zinc/58/82/65/1065588265.db2.gz OOWKECNEYVCXMQ-UHFFFAOYSA-N 1 2 301.792 4.271 20 30 DIEDLO COc1ccc([N@H+](CCc2ccc(C#N)cc2)CC(C)C)cc1 ZINC001307849205 1065651810 /nfs/dbraw/zinc/65/18/10/1065651810.db2.gz IKRUVSQYSOLXHE-UHFFFAOYSA-N 1 2 308.425 4.272 20 30 DIEDLO COc1ccc([N@@H+](CCc2ccc(C#N)cc2)CC(C)C)cc1 ZINC001307849205 1065651815 /nfs/dbraw/zinc/65/18/15/1065651815.db2.gz IKRUVSQYSOLXHE-UHFFFAOYSA-N 1 2 308.425 4.272 20 30 DIEDLO Cc1cccc([C@H]([NH2+]Cc2csc(C#N)c2)c2ccccn2)c1 ZINC001308358726 1065937501 /nfs/dbraw/zinc/93/75/01/1065937501.db2.gz PJLNJNXPTDEEIY-IBGZPJMESA-N 1 2 319.433 4.202 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2cccc(OC)c2)cc1 ZINC001308662645 1066143337 /nfs/dbraw/zinc/14/33/37/1066143337.db2.gz IYCWMSJNDHKAJC-UHFFFAOYSA-N 1 2 324.424 4.010 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2cccc(OC)c2)cc1 ZINC001308662645 1066143342 /nfs/dbraw/zinc/14/33/42/1066143342.db2.gz IYCWMSJNDHKAJC-UHFFFAOYSA-N 1 2 324.424 4.010 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)c1ccc(Cl)cc1 ZINC001308796017 1066271234 /nfs/dbraw/zinc/27/12/34/1066271234.db2.gz LGJRXTNBATXLKB-CQSZACIVSA-N 1 2 306.743 4.137 20 30 DIEDLO Cc1cc(C)c(NC(=O)Nc2ccc(CCC#N)cc2)c(C)[nH+]1 ZINC001310834005 1066566082 /nfs/dbraw/zinc/56/60/82/1066566082.db2.gz HOVIQGWHWOEPIG-UHFFFAOYSA-N 1 2 308.385 4.107 20 30 DIEDLO N#Cc1cc(Cl)cc(OCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000563746254 334985173 /nfs/dbraw/zinc/98/51/73/334985173.db2.gz FAKNFZMRIPJLJD-UHFFFAOYSA-N 1 2 323.783 4.035 20 30 DIEDLO CC[C@H]([NH2+]CC#Cc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000192178913 335027041 /nfs/dbraw/zinc/02/70/41/335027041.db2.gz WYNWHCSSXUIOLS-ZDUSSCGKSA-N 1 2 324.371 4.254 20 30 DIEDLO C=CCC[C@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1ccco1 ZINC000286131382 335032763 /nfs/dbraw/zinc/03/27/63/335032763.db2.gz OMRGOOZPGCFMMV-OCCSQVGLSA-N 1 2 306.431 4.241 20 30 DIEDLO N#Cc1ccccc1SCc1[nH+]ccn1Cc1ccccc1 ZINC000173715193 332835951 /nfs/dbraw/zinc/83/59/51/332835951.db2.gz SUWKQRUTBUEHKD-UHFFFAOYSA-N 1 2 305.406 4.095 20 30 DIEDLO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H](C#N)CCC#N ZINC000568976886 331815556 /nfs/dbraw/zinc/81/55/56/331815556.db2.gz IWCFYCGRFVFUNY-ZFWWWQNUSA-N 1 2 309.335 4.022 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091982819 332098814 /nfs/dbraw/zinc/09/88/14/332098814.db2.gz VWVHYFPTSYDLTM-CYBMUJFWSA-N 1 2 324.852 4.119 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091982819 332098816 /nfs/dbraw/zinc/09/88/16/332098816.db2.gz VWVHYFPTSYDLTM-CYBMUJFWSA-N 1 2 324.852 4.119 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000092972955 332132676 /nfs/dbraw/zinc/13/26/76/332132676.db2.gz DFWHWEHXYSWYSE-INIZCTEOSA-N 1 2 324.827 4.182 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000092972955 332132679 /nfs/dbraw/zinc/13/26/79/332132679.db2.gz DFWHWEHXYSWYSE-INIZCTEOSA-N 1 2 324.827 4.182 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000093090370 332133775 /nfs/dbraw/zinc/13/37/75/332133775.db2.gz SGNKNKSKRZYDNK-GFCCVEGCSA-N 1 2 311.410 4.290 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000093090370 332133777 /nfs/dbraw/zinc/13/37/77/332133777.db2.gz SGNKNKSKRZYDNK-GFCCVEGCSA-N 1 2 311.410 4.290 20 30 DIEDLO Clc1ccc(C#CC[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000427021220 332165796 /nfs/dbraw/zinc/16/57/96/332165796.db2.gz FBGPZMJUQGZOHR-UHFFFAOYSA-N 1 2 320.823 4.231 20 30 DIEDLO Clc1ccc(C#CC[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000427021220 332165797 /nfs/dbraw/zinc/16/57/97/332165797.db2.gz FBGPZMJUQGZOHR-UHFFFAOYSA-N 1 2 320.823 4.231 20 30 DIEDLO C[C@@H](CCc1cccc(F)c1)[N@H+](CCC#N)Cc1ccco1 ZINC000182957508 332170600 /nfs/dbraw/zinc/17/06/00/332170600.db2.gz LSXCQXMNMGOVHN-HNNXBMFYSA-N 1 2 300.377 4.156 20 30 DIEDLO C[C@@H](CCc1cccc(F)c1)[N@@H+](CCC#N)Cc1ccco1 ZINC000182957508 332170602 /nfs/dbraw/zinc/17/06/02/332170602.db2.gz LSXCQXMNMGOVHN-HNNXBMFYSA-N 1 2 300.377 4.156 20 30 DIEDLO COc1cc(C)[nH+]c(CSc2ccc(C#N)cc2Cl)c1 ZINC000584305514 332234973 /nfs/dbraw/zinc/23/49/73/332234973.db2.gz VCILNJQKFKUBMY-UHFFFAOYSA-N 1 2 304.802 4.216 20 30 DIEDLO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1F ZINC000428352286 332520785 /nfs/dbraw/zinc/52/07/85/332520785.db2.gz QCPFAKLXTUZOIY-GOSISDBHSA-N 1 2 318.342 4.462 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2cccs2)s1 ZINC000160660957 333055770 /nfs/dbraw/zinc/05/57/70/333055770.db2.gz NJRWTSGCGGEQLI-UHFFFAOYSA-N 1 2 314.435 4.477 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2cccs2)s1 ZINC000160660957 333055772 /nfs/dbraw/zinc/05/57/72/333055772.db2.gz NJRWTSGCGGEQLI-UHFFFAOYSA-N 1 2 314.435 4.477 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185646473 333211310 /nfs/dbraw/zinc/21/13/10/333211310.db2.gz MEIZSDCYMMNQRZ-INIZCTEOSA-N 1 2 306.837 4.043 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185646473 333211311 /nfs/dbraw/zinc/21/13/11/333211311.db2.gz MEIZSDCYMMNQRZ-INIZCTEOSA-N 1 2 306.837 4.043 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185646491 333211439 /nfs/dbraw/zinc/21/14/39/333211439.db2.gz MEIZSDCYMMNQRZ-MRXNPFEDSA-N 1 2 306.837 4.043 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185646491 333211441 /nfs/dbraw/zinc/21/14/41/333211441.db2.gz MEIZSDCYMMNQRZ-MRXNPFEDSA-N 1 2 306.837 4.043 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191548047 333280669 /nfs/dbraw/zinc/28/06/69/333280669.db2.gz GIMPLYYTGRWDJE-SFHVURJKSA-N 1 2 317.436 4.120 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191548047 333280670 /nfs/dbraw/zinc/28/06/70/333280670.db2.gz GIMPLYYTGRWDJE-SFHVURJKSA-N 1 2 317.436 4.120 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnc(-c2ccco2)s1 ZINC000194380109 333312426 /nfs/dbraw/zinc/31/24/26/333312426.db2.gz JTDOOKUUVYUNAV-UHFFFAOYSA-N 1 2 303.431 4.165 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnc(-c2ccco2)s1 ZINC000194380109 333312428 /nfs/dbraw/zinc/31/24/28/333312428.db2.gz JTDOOKUUVYUNAV-UHFFFAOYSA-N 1 2 303.431 4.165 20 30 DIEDLO C=CCOc1ccccc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000338138758 333472129 /nfs/dbraw/zinc/47/21/29/333472129.db2.gz BEWXFDSEMUTCFI-UHFFFAOYSA-N 1 2 305.381 4.049 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(F)c(F)c1 ZINC000296503489 335145854 /nfs/dbraw/zinc/14/58/54/335145854.db2.gz QDEQIBIFQOIIML-LYRGGWFBSA-N 1 2 303.356 4.074 20 30 DIEDLO N#CC1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCCCC1 ZINC000264807377 333959941 /nfs/dbraw/zinc/95/99/41/333959941.db2.gz RZLMUXJOMASIAT-UHFFFAOYSA-N 1 2 321.380 4.286 20 30 DIEDLO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C)(C#N)CC1 ZINC000272637568 334038417 /nfs/dbraw/zinc/03/84/17/334038417.db2.gz XCSPRHMLLDPWMH-GFCCVEGCSA-N 1 2 318.371 4.118 20 30 DIEDLO N#C[C@H]1CCC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278514878 334097228 /nfs/dbraw/zinc/09/72/28/334097228.db2.gz RWHMHYKHQJRETI-RDJZCZTQSA-N 1 2 320.440 4.381 20 30 DIEDLO N#C[C@@H]1CCC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278514875 334097344 /nfs/dbraw/zinc/09/73/44/334097344.db2.gz RWHMHYKHQJRETI-NVXWUHKLSA-N 1 2 320.440 4.381 20 30 DIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(CCCCC(C)(C)C#N)CC1 ZINC000278631682 334098928 /nfs/dbraw/zinc/09/89/28/334098928.db2.gz GKCCENCRDCYCQC-INIZCTEOSA-N 1 2 319.518 4.147 20 30 DIEDLO CCCOc1cc(C)ccc1[NH2+]CCCC1(C#N)CCOCC1 ZINC000280948238 334121747 /nfs/dbraw/zinc/12/17/47/334121747.db2.gz GCFQYHRKYKPMJX-UHFFFAOYSA-N 1 2 316.445 4.296 20 30 DIEDLO CC(C)(C)Oc1ccc([NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000281369546 334125343 /nfs/dbraw/zinc/12/53/43/334125343.db2.gz YHUUFMLPVZZMMW-UHFFFAOYSA-N 1 2 316.445 4.376 20 30 DIEDLO Cc1cc(C)c(CNc2[nH+]cccc2OCCCC#N)cc1C ZINC000341973448 334498770 /nfs/dbraw/zinc/49/87/70/334498770.db2.gz UBSBYDMNUSACGX-UHFFFAOYSA-N 1 2 309.413 4.302 20 30 DIEDLO Cc1ccc2[nH+]c(CSc3ccc(C#N)cc3Cl)cn2c1 ZINC000532055039 334713241 /nfs/dbraw/zinc/71/32/41/334713241.db2.gz YEFFHZSVTQEXKS-UHFFFAOYSA-N 1 2 313.813 4.460 20 30 DIEDLO Cc1nc(CC(C)C)sc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000331241381 334850013 /nfs/dbraw/zinc/85/00/13/334850013.db2.gz NCXRQSPYEWWLLB-UHFFFAOYSA-N 1 2 303.431 4.298 20 30 DIEDLO CCc1nc([C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)cs1 ZINC000331245898 334850472 /nfs/dbraw/zinc/85/04/72/334850472.db2.gz UNWYYXCYPLFRGU-LLVKDONJSA-N 1 2 318.446 4.113 20 30 DIEDLO CC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1nc(C)cs1 ZINC000331341731 334854760 /nfs/dbraw/zinc/85/47/60/334854760.db2.gz STDJWVACUFBNLE-ZDUSSCGKSA-N 1 2 318.446 4.249 20 30 DIEDLO C=CCCN(C)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000344286556 335236615 /nfs/dbraw/zinc/23/66/15/335236615.db2.gz OSKFLJJCTDEIDH-UHFFFAOYSA-N 1 2 316.788 4.175 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc([C@H](C)OCC)n1 ZINC000352701391 336231279 /nfs/dbraw/zinc/23/12/79/336231279.db2.gz JHAQOEDGEPIWEY-AWEZNQCLSA-N 1 2 320.458 4.064 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)Cc1csc([C@H](C)OCC)n1 ZINC000352701391 336231280 /nfs/dbraw/zinc/23/12/80/336231280.db2.gz JHAQOEDGEPIWEY-AWEZNQCLSA-N 1 2 320.458 4.064 20 30 DIEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(Cl)c1Cl ZINC000352797020 336237667 /nfs/dbraw/zinc/23/76/67/336237667.db2.gz MDDMMYXVULBNTK-MRVPVSSYSA-N 1 2 312.225 4.172 20 30 DIEDLO C[C@H](c1c(F)cccc1F)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000532605040 336257385 /nfs/dbraw/zinc/25/73/85/336257385.db2.gz FBZJBTMZCXHAMM-CYBMUJFWSA-N 1 2 303.327 4.148 20 30 DIEDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000532605040 336257386 /nfs/dbraw/zinc/25/73/86/336257386.db2.gz FBZJBTMZCXHAMM-CYBMUJFWSA-N 1 2 303.327 4.148 20 30 DIEDLO N#Cc1csc(C[NH2+]Cc2ccccc2Oc2ccccc2)n1 ZINC000352825477 336260853 /nfs/dbraw/zinc/26/08/53/336260853.db2.gz TWZMWBZXXZKLJA-UHFFFAOYSA-N 1 2 321.405 4.097 20 30 DIEDLO N#Cc1csc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000352833481 336270674 /nfs/dbraw/zinc/27/06/74/336270674.db2.gz HYILBKXBUFPHBL-GOSISDBHSA-N 1 2 323.396 4.033 20 30 DIEDLO Cc1nnc(Nc2cccc([NH+]3CCCCCC3)c2)c(C#N)c1C ZINC000301326498 336300743 /nfs/dbraw/zinc/30/07/43/336300743.db2.gz BEMJKPSQNJPKAB-UHFFFAOYSA-N 1 2 321.428 4.089 20 30 DIEDLO N#Cc1nc(Nc2ccc([NH+]3CCCCC3)cc2)ccc1Cl ZINC000301532639 336313033 /nfs/dbraw/zinc/31/30/33/336313033.db2.gz LOKTYVONQJBLDD-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO N#Cc1ccc(Cl)cc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000301547839 336314053 /nfs/dbraw/zinc/31/40/53/336314053.db2.gz POOSIHKIXCJKOE-UHFFFAOYSA-N 1 2 310.788 4.133 20 30 DIEDLO Cn1c(CCCNc2ccc(Cl)cc2C#N)[nH+]c2ccccc21 ZINC000301593394 336317104 /nfs/dbraw/zinc/31/71/04/336317104.db2.gz UVIIGWHNEPAFHB-UHFFFAOYSA-N 1 2 324.815 4.143 20 30 DIEDLO C=C(C)[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc(F)c(F)c1 ZINC000302429476 336358771 /nfs/dbraw/zinc/35/87/71/336358771.db2.gz PLKLSVVXIMCVEV-INIZCTEOSA-N 1 2 301.340 4.362 20 30 DIEDLO N#Cc1cccc(C#N)c1Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000302874664 336372875 /nfs/dbraw/zinc/37/28/75/336372875.db2.gz DZRVWLOVCHPYOO-UHFFFAOYSA-N 1 2 312.332 4.361 20 30 DIEDLO N#Cc1ccc(C[NH+]2Cc3ccccc3C2)c(C(F)(F)F)c1 ZINC000356200147 336540713 /nfs/dbraw/zinc/54/07/13/336540713.db2.gz ZORSRSNZZHVLNR-UHFFFAOYSA-N 1 2 302.299 4.093 20 30 DIEDLO C[C@H]([NH2+][C@H](c1nccs1)c1ccccc1)c1ccc(C#N)cc1 ZINC000118395167 336867279 /nfs/dbraw/zinc/86/72/79/336867279.db2.gz ISLTWSLVNWILHP-KSSFIOAISA-N 1 2 319.433 4.455 20 30 DIEDLO CCCCCCCC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000370719631 336892035 /nfs/dbraw/zinc/89/20/35/336892035.db2.gz LGTLTUNZYWZFDA-INIZCTEOSA-N 1 2 305.466 4.317 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCC1 ZINC000418137658 336897460 /nfs/dbraw/zinc/89/74/60/336897460.db2.gz FCOCSODYQXVSFO-UHFFFAOYSA-N 1 2 302.324 4.008 20 30 DIEDLO Cc1ccc([C@@H]([NH2+]Cc2ccccc2C#N)c2ccccn2)cc1 ZINC000375917484 337023045 /nfs/dbraw/zinc/02/30/45/337023045.db2.gz BKZAQNFRONNJCZ-OAQYLSRUSA-N 1 2 313.404 4.141 20 30 DIEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(Cl)cc2C#N)s1 ZINC000187004207 337261182 /nfs/dbraw/zinc/26/11/82/337261182.db2.gz ZKTYTIZWZRKFQH-LLVKDONJSA-N 1 2 319.861 4.478 20 30 DIEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(Cl)cc2C#N)s1 ZINC000187004207 337261183 /nfs/dbraw/zinc/26/11/83/337261183.db2.gz ZKTYTIZWZRKFQH-LLVKDONJSA-N 1 2 319.861 4.478 20 30 DIEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(Cl)cc2C#N)sc1C ZINC000187275306 337264729 /nfs/dbraw/zinc/26/47/29/337264729.db2.gz BGISNZYXXJYTNE-UHFFFAOYSA-N 1 2 319.861 4.310 20 30 DIEDLO N#Cc1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1F ZINC000191853582 337301688 /nfs/dbraw/zinc/30/16/88/337301688.db2.gz IADSETLDHFZNCG-UHFFFAOYSA-N 1 2 310.328 4.086 20 30 DIEDLO Cc1cc(N2CCC(=Cc3ccccc3F)CC2)c(C#N)c[nH+]1 ZINC000425245238 337443773 /nfs/dbraw/zinc/44/37/73/337443773.db2.gz WGNBYCRBTJQBNU-UHFFFAOYSA-N 1 2 307.372 4.085 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)c(F)c1 ZINC000195059215 337464723 /nfs/dbraw/zinc/46/47/23/337464723.db2.gz LGHUUAMUFFFNGC-KRWDZBQOSA-N 1 2 323.396 4.033 20 30 DIEDLO N#Cc1cccc(COc2cccc(CNc3cccc[nH+]3)c2)c1 ZINC000121577329 337895709 /nfs/dbraw/zinc/89/57/09/337895709.db2.gz QKJTXORFYJTZHD-UHFFFAOYSA-N 1 2 315.376 4.144 20 30 DIEDLO C[C@H](CC#N)Sc1ccccc1NCc1cn2ccccc2[nH+]1 ZINC000084492812 338002797 /nfs/dbraw/zinc/00/27/97/338002797.db2.gz QXTUJHSGCFMAGL-CQSZACIVSA-N 1 2 322.437 4.341 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1cccc(F)c1C#N ZINC000428298272 338046241 /nfs/dbraw/zinc/04/62/41/338046241.db2.gz BDDOWKQLISFBOB-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1cccc(F)c1C#N ZINC000428298272 338046242 /nfs/dbraw/zinc/04/62/42/338046242.db2.gz BDDOWKQLISFBOB-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000428309696 338046638 /nfs/dbraw/zinc/04/66/38/338046638.db2.gz DUVUDHOCFCNIFX-UHFFFAOYSA-N 1 2 316.326 4.145 20 30 DIEDLO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1F ZINC000428330574 338047531 /nfs/dbraw/zinc/04/75/31/338047531.db2.gz NFCMRXMMWHRJDY-KRWDZBQOSA-N 1 2 304.315 4.216 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Br)c(Cl)c1 ZINC000428840382 338061868 /nfs/dbraw/zinc/06/18/68/338061868.db2.gz NIUARZTXFNHKBT-UHFFFAOYSA-N 1 2 313.626 4.004 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(Br)c(Cl)c1 ZINC000428840382 338061869 /nfs/dbraw/zinc/06/18/69/338061869.db2.gz NIUARZTXFNHKBT-UHFFFAOYSA-N 1 2 313.626 4.004 20 30 DIEDLO C=CC[N@@H+](CCC#N)C/C(C)=C\c1ccccc1OC(F)F ZINC000430107929 338097258 /nfs/dbraw/zinc/09/72/58/338097258.db2.gz RHGGTPABLMVTJN-OWBHPGMISA-N 1 2 306.356 4.093 20 30 DIEDLO C=CC[N@H+](CCC#N)C/C(C)=C\c1ccccc1OC(F)F ZINC000430107929 338097259 /nfs/dbraw/zinc/09/72/59/338097259.db2.gz RHGGTPABLMVTJN-OWBHPGMISA-N 1 2 306.356 4.093 20 30 DIEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)ccc1Br ZINC000430237642 338102575 /nfs/dbraw/zinc/10/25/75/338102575.db2.gz IRHVCKCEWWLOKG-HNNXBMFYSA-N 1 2 319.246 4.198 20 30 DIEDLO Cc1cc([C@@H]2CCC[N@H+]2CC2(C#N)CC2)ccc1Br ZINC000430237642 338102576 /nfs/dbraw/zinc/10/25/76/338102576.db2.gz IRHVCKCEWWLOKG-HNNXBMFYSA-N 1 2 319.246 4.198 20 30 DIEDLO CCN(c1ccccc1)c1cc(NCC(C)(C)CCC#N)[nH+]cn1 ZINC000432171568 338147930 /nfs/dbraw/zinc/14/79/30/338147930.db2.gz FKQWIWZQHPPLQW-UHFFFAOYSA-N 1 2 323.444 4.376 20 30 DIEDLO CC(C)c1nc(N2CCC(C)(C#N)CC2)cc(C(C)(C)C)[nH+]1 ZINC000433752605 338200692 /nfs/dbraw/zinc/20/06/92/338200692.db2.gz BEVXMCPQDDYVFC-UHFFFAOYSA-N 1 2 300.450 4.028 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1c(F)cccc1F ZINC000439429650 338369131 /nfs/dbraw/zinc/36/91/31/338369131.db2.gz ISCRHHYPTZUOCS-JTQLQIEISA-N 1 2 306.743 4.341 20 30 DIEDLO Cc1cnc([C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)C2CC2)s1 ZINC000439438099 338369474 /nfs/dbraw/zinc/36/94/74/338369474.db2.gz JEXLFPUKNOVCQZ-HNNXBMFYSA-N 1 2 317.845 4.218 20 30 DIEDLO Cc1csc([C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)C2CC2)n1 ZINC000439453033 338370035 /nfs/dbraw/zinc/37/00/35/338370035.db2.gz OPQCPIYIPNSNQC-HNNXBMFYSA-N 1 2 317.845 4.218 20 30 DIEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000468105599 339254160 /nfs/dbraw/zinc/25/41/60/339254160.db2.gz BMSJPXFDQXUPOV-FQEVSTJZSA-N 1 2 323.440 4.427 20 30 DIEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468115248 339254506 /nfs/dbraw/zinc/25/45/06/339254506.db2.gz MSQUGSXTLFSMQM-NSHDSACASA-N 1 2 316.326 4.095 20 30 DIEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468115248 339254507 /nfs/dbraw/zinc/25/45/07/339254507.db2.gz MSQUGSXTLFSMQM-NSHDSACASA-N 1 2 316.326 4.095 20 30 DIEDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468279721 339258572 /nfs/dbraw/zinc/25/85/72/339258572.db2.gz ZDTDHPACINKAIS-NSHDSACASA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468279721 339258573 /nfs/dbraw/zinc/25/85/73/339258573.db2.gz ZDTDHPACINKAIS-NSHDSACASA-N 1 2 304.315 4.169 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000472235478 339366814 /nfs/dbraw/zinc/36/68/14/339366814.db2.gz AKZFLQXBAWOQEC-AEFFLSMTSA-N 1 2 311.816 4.007 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000472235478 339366815 /nfs/dbraw/zinc/36/68/15/339366815.db2.gz AKZFLQXBAWOQEC-AEFFLSMTSA-N 1 2 311.816 4.007 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1ncc(CC)s1)c1ccc(F)c(F)c1 ZINC000479422152 339534273 /nfs/dbraw/zinc/53/42/73/339534273.db2.gz KGBGZFVPFNIZQA-MRXNPFEDSA-N 1 2 308.397 4.391 20 30 DIEDLO Cc1cc(C)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(C)[nH+]1 ZINC000483203690 339656212 /nfs/dbraw/zinc/65/62/12/339656212.db2.gz QMEDHORLSBVVGL-UHFFFAOYSA-N 1 2 307.397 4.060 20 30 DIEDLO Cc1cc(C[NH2+][C@H](c2nccs2)c2ccccc2)ccc1C#N ZINC000488182169 339772670 /nfs/dbraw/zinc/77/26/70/339772670.db2.gz VUBXBNOKVGDQOA-SFHVURJKSA-N 1 2 319.433 4.202 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccc(F)cc1 ZINC000491637910 339870188 /nfs/dbraw/zinc/87/01/88/339870188.db2.gz XHKDIPQPXCPSBA-AWEZNQCLSA-N 1 2 302.418 4.044 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1scnc1C1CC1)c1ccc(Cl)cc1 ZINC000491667055 339872253 /nfs/dbraw/zinc/87/22/53/339872253.db2.gz WYALXQQEBDRJBZ-CQSZACIVSA-N 1 2 302.830 4.138 20 30 DIEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000501269330 340077588 /nfs/dbraw/zinc/07/75/88/340077588.db2.gz OHLWBVLEDLBLJC-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000501269330 340077589 /nfs/dbraw/zinc/07/75/89/340077589.db2.gz OHLWBVLEDLBLJC-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO C=CCSc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000501865723 340089943 /nfs/dbraw/zinc/08/99/43/340089943.db2.gz YYHJRJWRMYBBAT-UHFFFAOYSA-N 1 2 319.499 4.182 20 30 DIEDLO CCCOc1cccc2c(N3CCC(C)(C#N)CC3)cc[nH+]c12 ZINC000503576608 340131407 /nfs/dbraw/zinc/13/14/07/340131407.db2.gz QYVIKVJHPCPYNI-UHFFFAOYSA-N 1 2 309.413 4.154 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)cc1F)Cc1cc(C#N)ccc1F ZINC000503634340 340132699 /nfs/dbraw/zinc/13/26/99/340132699.db2.gz RCGZSDZIDMPGSP-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)cc1F)Cc1cc(C#N)ccc1F ZINC000503634340 340132700 /nfs/dbraw/zinc/13/27/00/340132700.db2.gz RCGZSDZIDMPGSP-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccs1 ZINC000506017690 340183469 /nfs/dbraw/zinc/18/34/69/340183469.db2.gz UYIBAQJUGPUPBM-UHFFFAOYSA-N 1 2 309.438 4.326 20 30 DIEDLO C=CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccs1 ZINC000506017690 340183470 /nfs/dbraw/zinc/18/34/70/340183470.db2.gz UYIBAQJUGPUPBM-UHFFFAOYSA-N 1 2 309.438 4.326 20 30 DIEDLO CC[C@@H](C)[NH+](Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000507333766 340217424 /nfs/dbraw/zinc/21/74/24/340217424.db2.gz FAQOBRJADTXQOS-MRXNPFEDSA-N 1 2 303.409 4.231 20 30 DIEDLO CC[C@H](C)[NH+](Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000507333764 340217491 /nfs/dbraw/zinc/21/74/91/340217491.db2.gz FAQOBRJADTXQOS-INIZCTEOSA-N 1 2 303.409 4.231 20 30 DIEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000509008524 340258125 /nfs/dbraw/zinc/25/81/25/340258125.db2.gz ZHXRDBQNOUZSIE-UYAOXDASSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(F)c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000509008524 340258126 /nfs/dbraw/zinc/25/81/26/340258126.db2.gz ZHXRDBQNOUZSIE-UYAOXDASSA-N 1 2 324.399 4.106 20 30 DIEDLO CC[N@@H+](Cc1ccc(-c2cccc(F)c2C)o1)C[C@H](C)C#N ZINC000509799045 340279341 /nfs/dbraw/zinc/27/93/41/340279341.db2.gz LTXXWHOVAFVCJR-CYBMUJFWSA-N 1 2 300.377 4.376 20 30 DIEDLO CC[N@H+](Cc1ccc(-c2cccc(F)c2C)o1)C[C@H](C)C#N ZINC000509799045 340279342 /nfs/dbraw/zinc/27/93/42/340279342.db2.gz LTXXWHOVAFVCJR-CYBMUJFWSA-N 1 2 300.377 4.376 20 30 DIEDLO CC[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C[C@H](C)C#N ZINC000509808969 340279773 /nfs/dbraw/zinc/27/97/73/340279773.db2.gz CSBOECWLSJXOFG-MRXNPFEDSA-N 1 2 324.472 4.151 20 30 DIEDLO CC[N@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C[C@H](C)C#N ZINC000509808969 340279774 /nfs/dbraw/zinc/27/97/74/340279774.db2.gz CSBOECWLSJXOFG-MRXNPFEDSA-N 1 2 324.472 4.151 20 30 DIEDLO CC[N@H+](Cc1ccccc1Cl)Cc1ccc(F)cc1C#N ZINC000303187794 340310914 /nfs/dbraw/zinc/31/09/14/340310914.db2.gz LPOMFBYNMIXSIT-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC[N@@H+](Cc1ccccc1Cl)Cc1ccc(F)cc1C#N ZINC000303187794 340310915 /nfs/dbraw/zinc/31/09/15/340310915.db2.gz LPOMFBYNMIXSIT-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000510887595 340313954 /nfs/dbraw/zinc/31/39/54/340313954.db2.gz LERVKGINZWEPLJ-SNVBAGLBSA-N 1 2 301.192 4.382 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000511602717 340331931 /nfs/dbraw/zinc/33/19/31/340331931.db2.gz CETGAYFNCBMROF-QGZVFWFLSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000511602717 340331932 /nfs/dbraw/zinc/33/19/32/340331932.db2.gz CETGAYFNCBMROF-QGZVFWFLSA-N 1 2 300.764 4.298 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(C#N)c1F ZINC000512400961 340360575 /nfs/dbraw/zinc/36/05/75/340360575.db2.gz URBNCFHYJVFCJC-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(C#N)c1F ZINC000512400961 340360576 /nfs/dbraw/zinc/36/05/76/340360576.db2.gz URBNCFHYJVFCJC-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC000512623228 340369470 /nfs/dbraw/zinc/36/94/70/340369470.db2.gz DRVPSMSIRLAGQW-SNVBAGLBSA-N 1 2 306.743 4.341 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)c1ccc(C#N)cc1F ZINC000512665737 340371865 /nfs/dbraw/zinc/37/18/65/340371865.db2.gz HKLJOINSNYWESP-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185743662 340504742 /nfs/dbraw/zinc/50/47/42/340504742.db2.gz PBGLXVAHIJQBHX-JKSUJKDBSA-N 1 2 315.486 4.043 20 30 DIEDLO CC(C)Oc1cc(Cl)c(C[NH2+]C[C@H](C)C#N)cc1Cl ZINC000529541868 340761475 /nfs/dbraw/zinc/76/14/75/340761475.db2.gz LZBLEVLKZMBPKU-SNVBAGLBSA-N 1 2 301.217 4.030 20 30 DIEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1c(F)cccc1Cl ZINC000538279628 340816075 /nfs/dbraw/zinc/81/60/75/340816075.db2.gz OFMQAQGSPBCXRX-SNVBAGLBSA-N 1 2 306.743 4.341 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000130453254 341022195 /nfs/dbraw/zinc/02/21/95/341022195.db2.gz BXWPKCHTVWLZCF-IBGZPJMESA-N 1 2 317.392 4.476 20 30 DIEDLO CCc1ccc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000545220893 341115195 /nfs/dbraw/zinc/11/51/95/341115195.db2.gz DYGXFHZLVQVYCG-UHFFFAOYSA-N 1 2 301.415 4.000 20 30 DIEDLO CC(C)(C#N)c1ccccc1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000133950728 341202647 /nfs/dbraw/zinc/20/26/47/341202647.db2.gz XCGLVDBHQYVILS-UHFFFAOYSA-N 1 2 311.335 4.164 20 30 DIEDLO CC(C)(C#N)c1ccccc1COc1cccc(-n2cc[nH+]c2)c1 ZINC000134205311 341209360 /nfs/dbraw/zinc/20/93/60/341209360.db2.gz IQVHFLIQZIKQCU-UHFFFAOYSA-N 1 2 317.392 4.252 20 30 DIEDLO C=CC[C@H](C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)c1ccccc1 ZINC000547962067 341240973 /nfs/dbraw/zinc/24/09/73/341240973.db2.gz CLHBMQLFRMIYMH-KRWDZBQOSA-N 1 2 319.408 4.180 20 30 DIEDLO C=CC[N@@H+](Cc1nc2cc(F)ccc2n1CC)Cc1ccccc1 ZINC000550674210 341321185 /nfs/dbraw/zinc/32/11/85/341321185.db2.gz GKLCLEAGOGJTJN-UHFFFAOYSA-N 1 2 323.415 4.384 20 30 DIEDLO C=CC[N@H+](Cc1nc2cc(F)ccc2n1CC)Cc1ccccc1 ZINC000550674210 341321186 /nfs/dbraw/zinc/32/11/86/341321186.db2.gz GKLCLEAGOGJTJN-UHFFFAOYSA-N 1 2 323.415 4.384 20 30 DIEDLO C=CCOc1ccc(C[NH+]2CC3(CCC3(F)F)C2)cc1Cl ZINC000568574439 341675562 /nfs/dbraw/zinc/67/55/62/341675562.db2.gz FIFKAQRRTZQBOS-UHFFFAOYSA-N 1 2 313.775 4.136 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000190025841 525534090 /nfs/dbraw/zinc/53/40/90/525534090.db2.gz UYZRPXMDHQWCIF-KBPBESRZSA-N 1 2 324.428 4.401 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000190025886 525612531 /nfs/dbraw/zinc/61/25/31/525612531.db2.gz UYZRPXMDHQWCIF-UONOGXRCSA-N 1 2 324.428 4.401 20 30 DIEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(Cl)cc(Cl)c1F ZINC000932570070 1044144287 /nfs/dbraw/zinc/14/42/87/1044144287.db2.gz CMHGSNRNRRMEQY-UWVGGRQHSA-N 1 2 314.191 4.227 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCCC(C)(C)CC1)C(=O)OCC ZINC001462500101 1061212368 /nfs/dbraw/zinc/21/23/68/1061212368.db2.gz AOVTXGXEYHVHHJ-KBPBESRZSA-N 1 2 301.858 4.009 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(COC)o1)c1ccc(F)c(F)c1 ZINC000274835798 1035900119 /nfs/dbraw/zinc/90/01/19/1035900119.db2.gz VEJMSMJYGKMVSB-QGZVFWFLSA-N 1 2 307.340 4.111 20 30 DIEDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187249712 1036109143 /nfs/dbraw/zinc/10/91/43/1036109143.db2.gz NWMLDFXYBPAUQM-GFCCVEGCSA-N 1 2 300.789 4.110 20 30 DIEDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187249712 1036109154 /nfs/dbraw/zinc/10/91/54/1036109154.db2.gz NWMLDFXYBPAUQM-GFCCVEGCSA-N 1 2 300.789 4.110 20 30 DIEDLO C=C(C)c1cccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000890889652 1036437619 /nfs/dbraw/zinc/43/76/19/1036437619.db2.gz ZMBYAADGVUYYOF-AWEZNQCLSA-N 1 2 323.318 4.048 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cccc(C(F)(F)F)c1 ZINC000255108025 1036535131 /nfs/dbraw/zinc/53/51/31/1036535131.db2.gz URFSFMXRNOAMGG-FPLPWBNLSA-N 1 2 316.282 4.249 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc(-c2cccs2)no1 ZINC000610343303 1036834231 /nfs/dbraw/zinc/83/42/31/1036834231.db2.gz DBIUVSJEXKOFFY-VXGBXAGGSA-N 1 2 324.409 4.082 20 30 DIEDLO C=CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCCCC1 ZINC001167392418 1037108641 /nfs/dbraw/zinc/10/86/41/1037108641.db2.gz UBHXWWYJISXNFX-UHFFFAOYSA-N 1 2 313.401 4.035 20 30 DIEDLO C=CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCCCC1 ZINC001167392418 1037108649 /nfs/dbraw/zinc/10/86/49/1037108649.db2.gz UBHXWWYJISXNFX-UHFFFAOYSA-N 1 2 313.401 4.035 20 30 DIEDLO C=CC1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC001167405695 1037149768 /nfs/dbraw/zinc/14/97/68/1037149768.db2.gz IZHIRLLJMRYTON-UHFFFAOYSA-N 1 2 316.189 4.125 20 30 DIEDLO C[C@H](CCC#N)C[N@@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000602634251 1038057981 /nfs/dbraw/zinc/05/79/81/1038057981.db2.gz LOCXWSLAGXFSNA-CYBMUJFWSA-N 1 2 301.821 4.050 20 30 DIEDLO C[C@H](CCC#N)C[N@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000602634251 1038057990 /nfs/dbraw/zinc/05/79/90/1038057990.db2.gz LOCXWSLAGXFSNA-CYBMUJFWSA-N 1 2 301.821 4.050 20 30 DIEDLO CC(C)[N@H+](Cc1nc(C(C)(C)C)co1)Cc1ccc(C#N)cc1 ZINC000891621841 1038086027 /nfs/dbraw/zinc/08/60/27/1038086027.db2.gz DDQYDQFFVKFTST-UHFFFAOYSA-N 1 2 311.429 4.254 20 30 DIEDLO CC(C)[N@@H+](Cc1nc(C(C)(C)C)co1)Cc1ccc(C#N)cc1 ZINC000891621841 1038086046 /nfs/dbraw/zinc/08/60/46/1038086046.db2.gz DDQYDQFFVKFTST-UHFFFAOYSA-N 1 2 311.429 4.254 20 30 DIEDLO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000599637295 1038324828 /nfs/dbraw/zinc/32/48/28/1038324828.db2.gz RREKIBJDVSEBNK-OAHLLOKOSA-N 1 2 319.246 4.198 20 30 DIEDLO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000599637295 1038324841 /nfs/dbraw/zinc/32/48/41/1038324841.db2.gz RREKIBJDVSEBNK-OAHLLOKOSA-N 1 2 319.246 4.198 20 30 DIEDLO Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccnc(C#N)c2)s1 ZINC000610991813 1038420099 /nfs/dbraw/zinc/42/00/99/1038420099.db2.gz SNCAVSYBWPWWDW-UHFFFAOYSA-N 1 2 323.421 4.119 20 30 DIEDLO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccnc(C#N)c2)s1 ZINC000610991813 1038420105 /nfs/dbraw/zinc/42/01/05/1038420105.db2.gz SNCAVSYBWPWWDW-UHFFFAOYSA-N 1 2 323.421 4.119 20 30 DIEDLO COc1ccc(C[N@H+](C)[C@H](C)c2c(F)cccc2F)cc1C#N ZINC000610991286 1038420268 /nfs/dbraw/zinc/42/02/68/1038420268.db2.gz CRFBRYSAIXFLTM-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccc(C[N@@H+](C)[C@H](C)c2c(F)cccc2F)cc1C#N ZINC000610991286 1038420276 /nfs/dbraw/zinc/42/02/76/1038420276.db2.gz CRFBRYSAIXFLTM-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000061758835 1038448905 /nfs/dbraw/zinc/44/89/05/1038448905.db2.gz TXZHWZSRABEICA-UHFFFAOYSA-N 1 2 322.817 4.498 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000061758835 1038448909 /nfs/dbraw/zinc/44/89/09/1038448909.db2.gz TXZHWZSRABEICA-UHFFFAOYSA-N 1 2 322.817 4.498 20 30 DIEDLO C=CC[N@H+](Cc1nc2ccccc2s1)Cc1cccc(C#N)c1 ZINC000063300664 1038696604 /nfs/dbraw/zinc/69/66/04/1038696604.db2.gz LDDVBGZWZTZJGD-UHFFFAOYSA-N 1 2 319.433 4.356 20 30 DIEDLO C=CC[N@@H+](Cc1nc2ccccc2s1)Cc1cccc(C#N)c1 ZINC000063300664 1038696609 /nfs/dbraw/zinc/69/66/09/1038696609.db2.gz LDDVBGZWZTZJGD-UHFFFAOYSA-N 1 2 319.433 4.356 20 30 DIEDLO CC(C)(C#N)c1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cn1 ZINC001213086304 1039033195 /nfs/dbraw/zinc/03/31/95/1039033195.db2.gz NDWLKSPLHLCFER-UHFFFAOYSA-N 1 2 303.369 4.016 20 30 DIEDLO N#Cc1ccc(Cl)cc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000079081628 1039067956 /nfs/dbraw/zinc/06/79/56/1039067956.db2.gz BLRLKACHUNXOFX-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728541650 1039127115 /nfs/dbraw/zinc/12/71/15/1039127115.db2.gz IWAPJKCFHGUCFO-KRWDZBQOSA-N 1 2 305.466 4.187 20 30 DIEDLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000539626765 1039306368 /nfs/dbraw/zinc/30/63/68/1039306368.db2.gz VBKUHVHTEYJVAO-AWEZNQCLSA-N 1 2 324.403 4.256 20 30 DIEDLO CCC[N@H+](Cc1ccccc1F)Cc1ccc(F)cc1C#N ZINC000728569386 1039345040 /nfs/dbraw/zinc/34/50/40/1039345040.db2.gz FJIVWHFKFBBMOA-UHFFFAOYSA-N 1 2 300.352 4.249 20 30 DIEDLO CCC[N@@H+](Cc1ccccc1F)Cc1ccc(F)cc1C#N ZINC000728569386 1039345052 /nfs/dbraw/zinc/34/50/52/1039345052.db2.gz FJIVWHFKFBBMOA-UHFFFAOYSA-N 1 2 300.352 4.249 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000539822528 1039348129 /nfs/dbraw/zinc/34/81/29/1039348129.db2.gz MJTSWIFXTYTQSP-RTBURBONSA-N 1 2 312.363 4.237 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000539822528 1039348144 /nfs/dbraw/zinc/34/81/44/1039348144.db2.gz MJTSWIFXTYTQSP-RTBURBONSA-N 1 2 312.363 4.237 20 30 DIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)C1CC1 ZINC000539862048 1039375183 /nfs/dbraw/zinc/37/51/83/1039375183.db2.gz MNIDPVGGCUPZBW-GFCCVEGCSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)C1CC1 ZINC000539862048 1039375195 /nfs/dbraw/zinc/37/51/95/1039375195.db2.gz MNIDPVGGCUPZBW-GFCCVEGCSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000541760335 1039740916 /nfs/dbraw/zinc/74/09/16/1039740916.db2.gz HYAJWWHRWVZIGR-LLVKDONJSA-N 1 2 308.303 4.215 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cccc(C(F)(F)F)c1 ZINC000255625915 1040221681 /nfs/dbraw/zinc/22/16/81/1040221681.db2.gz WTTZMLPQCQVTTJ-FPLPWBNLSA-N 1 2 316.282 4.249 20 30 DIEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000612163378 1040462043 /nfs/dbraw/zinc/46/20/43/1040462043.db2.gz TWZGYQFCFQITNY-OAQYLSRUSA-N 1 2 320.436 4.391 20 30 DIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000612163378 1040462052 /nfs/dbraw/zinc/46/20/52/1040462052.db2.gz TWZGYQFCFQITNY-OAQYLSRUSA-N 1 2 320.436 4.391 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1cscc1Cl ZINC000613442996 1040952428 /nfs/dbraw/zinc/95/24/28/1040952428.db2.gz BCXIQKWDGKHPAW-UHFFFAOYSA-N 1 2 307.806 4.091 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1c(F)cccc1Cl ZINC000809159842 1041103916 /nfs/dbraw/zinc/10/39/16/1041103916.db2.gz XSLWTQKXIYBOMO-BQYQJAHWSA-N 1 2 300.720 4.023 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc2cnccc2c1)c1ccc(Cl)cc1F ZINC000809699413 1041217983 /nfs/dbraw/zinc/21/79/83/1041217983.db2.gz RMOVYQBGPVOZPI-LJQANCHMSA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(Cl)cc1F ZINC000809699763 1041218422 /nfs/dbraw/zinc/21/84/22/1041218422.db2.gz WIWMROXEGASMAZ-KRWDZBQOSA-N 1 2 312.775 4.425 20 30 DIEDLO C#CC[N@H+](Cc1cnc(-c2ccco2)s1)Cc1ccccc1 ZINC000809715857 1041234064 /nfs/dbraw/zinc/23/40/64/1041234064.db2.gz HMYUFOBYRDNFDF-UHFFFAOYSA-N 1 2 308.406 4.039 20 30 DIEDLO C#CC[N@@H+](Cc1cnc(-c2ccco2)s1)Cc1ccccc1 ZINC000809715857 1041234081 /nfs/dbraw/zinc/23/40/81/1041234081.db2.gz HMYUFOBYRDNFDF-UHFFFAOYSA-N 1 2 308.406 4.039 20 30 DIEDLO CCCCNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1F ZINC000809802474 1041251045 /nfs/dbraw/zinc/25/10/45/1041251045.db2.gz YDFMXKWXLVXCJO-UHFFFAOYSA-N 1 2 322.387 4.307 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cnc(Cl)c(C)c1)c1ccc(Cl)cc1 ZINC000811517499 1041529835 /nfs/dbraw/zinc/52/98/35/1041529835.db2.gz UNMQINWVAZAWON-OAHLLOKOSA-N 1 2 305.208 4.161 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cscc1C(F)(F)F)c1ccc(F)cc1 ZINC000812793819 1041650901 /nfs/dbraw/zinc/65/09/01/1041650901.db2.gz GIAMZNNCRDWHEI-AWEZNQCLSA-N 1 2 313.319 4.370 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000812793417 1041650981 /nfs/dbraw/zinc/65/09/81/1041650981.db2.gz SYKVLJJMHVWGMO-MRXNPFEDSA-N 1 2 323.289 4.014 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1ccc(F)cc1 ZINC000812792012 1041651162 /nfs/dbraw/zinc/65/11/62/1041651162.db2.gz HTAOMZHDWMTMEH-CYBMUJFWSA-N 1 2 313.319 4.370 20 30 DIEDLO C=CC[N@H+](Cc1ccc(COC)o1)Cc1ccc(Cl)s1 ZINC000162786702 1041808040 /nfs/dbraw/zinc/80/80/40/1041808040.db2.gz KGQIJNIXHMKCON-UHFFFAOYSA-N 1 2 311.834 4.329 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(COC)o1)Cc1ccc(Cl)s1 ZINC000162786702 1041808036 /nfs/dbraw/zinc/80/80/36/1041808036.db2.gz KGQIJNIXHMKCON-UHFFFAOYSA-N 1 2 311.834 4.329 20 30 DIEDLO c1cnc2cccc(N[NH+]=C3CC[C@@H]4CNc5cccc3c54)c2c1 ZINC000814804523 1041871541 /nfs/dbraw/zinc/87/15/41/1041871541.db2.gz SVVMKGNEFGUZOK-CYBMUJFWSA-N 1 2 314.392 4.354 20 30 DIEDLO Cc1cc(CNc2ccccc2O[C@H](C)C#N)c2c([nH+]1)CCCC2 ZINC000893472929 1041960646 /nfs/dbraw/zinc/96/06/46/1041960646.db2.gz QVDBQDRJMDGKNY-OAHLLOKOSA-N 1 2 321.424 4.172 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(Cl)cc1 ZINC000816616498 1042073052 /nfs/dbraw/zinc/07/30/52/1042073052.db2.gz YIOPLEFNXFPTDP-HNNXBMFYSA-N 1 2 324.182 4.302 20 30 DIEDLO Cc1cc(C)c(CNc2ccc(C(F)(F)F)cc2C#N)c[nH+]1 ZINC000397019308 1042164183 /nfs/dbraw/zinc/16/41/83/1042164183.db2.gz QWMUZBSRGJEXGX-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO N#CCC[N@@H+](CCCc1cccc(Cl)c1)Cc1cccnc1 ZINC001207583666 1042206104 /nfs/dbraw/zinc/20/61/04/1042206104.db2.gz IUUNXVGDUJOMIH-UHFFFAOYSA-N 1 2 313.832 4.083 20 30 DIEDLO N#CCC[N@H+](CCCc1cccc(Cl)c1)Cc1cccnc1 ZINC001207583666 1042206108 /nfs/dbraw/zinc/20/61/08/1042206108.db2.gz IUUNXVGDUJOMIH-UHFFFAOYSA-N 1 2 313.832 4.083 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000513737114 1042622709 /nfs/dbraw/zinc/62/27/09/1042622709.db2.gz VAIMWFQEOSZXRF-UHFFFAOYSA-N 1 2 310.445 4.229 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000513737114 1042622714 /nfs/dbraw/zinc/62/27/14/1042622714.db2.gz VAIMWFQEOSZXRF-UHFFFAOYSA-N 1 2 310.445 4.229 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421320145 1042630150 /nfs/dbraw/zinc/63/01/50/1042630150.db2.gz ALYJXCMYHKMSKH-UHFFFAOYSA-N 1 2 322.456 4.401 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421320145 1042630152 /nfs/dbraw/zinc/63/01/52/1042630152.db2.gz ALYJXCMYHKMSKH-UHFFFAOYSA-N 1 2 322.456 4.401 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000425535721 1042838720 /nfs/dbraw/zinc/83/87/20/1042838720.db2.gz NYFYFLPUMRAFOB-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000425535721 1042838723 /nfs/dbraw/zinc/83/87/23/1042838723.db2.gz NYFYFLPUMRAFOB-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(Br)c(OC)s1 ZINC000426549725 1042935579 /nfs/dbraw/zinc/93/55/79/1042935579.db2.gz TZCWLLJNAORCJV-SNVBAGLBSA-N 1 2 316.264 4.060 20 30 DIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)c(OC)s1 ZINC000426549725 1042935583 /nfs/dbraw/zinc/93/55/83/1042935583.db2.gz TZCWLLJNAORCJV-SNVBAGLBSA-N 1 2 316.264 4.060 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OCC)o1 ZINC000894417146 1042956811 /nfs/dbraw/zinc/95/68/11/1042956811.db2.gz ITAVQXAQSWMJIV-UHFFFAOYSA-N 1 2 317.433 4.034 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OCC)o1 ZINC000894417146 1042956817 /nfs/dbraw/zinc/95/68/17/1042956817.db2.gz ITAVQXAQSWMJIV-UHFFFAOYSA-N 1 2 317.433 4.034 20 30 DIEDLO Cc1cc([C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)o1 ZINC000331350652 1043117829 /nfs/dbraw/zinc/11/78/29/1043117829.db2.gz YMOSDPCOVSOYMY-LBPRGKRZSA-N 1 2 301.390 4.304 20 30 DIEDLO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(OC)cc1 ZINC000866216036 1043160587 /nfs/dbraw/zinc/16/05/87/1043160587.db2.gz PROZZWLHSFKRHG-FZKQIMNGSA-N 1 2 310.397 4.074 20 30 DIEDLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c(C)s1 ZINC000866222544 1043162465 /nfs/dbraw/zinc/16/24/65/1043162465.db2.gz IXDHQDZESSKGJF-NWDGAFQWSA-N 1 2 300.427 4.354 20 30 DIEDLO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866235062 1043163720 /nfs/dbraw/zinc/16/37/20/1043163720.db2.gz VFKSRBQZAHQTKT-GJZGRUSLSA-N 1 2 324.424 4.463 20 30 DIEDLO CCC(CC)c1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)on1 ZINC000866273480 1043169917 /nfs/dbraw/zinc/16/99/17/1043169917.db2.gz NKHVIUOICGLAQD-GFCCVEGCSA-N 1 2 313.401 4.006 20 30 DIEDLO C[C@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1cccc(C#N)c1O ZINC000866318304 1043179324 /nfs/dbraw/zinc/17/93/24/1043179324.db2.gz UXBJCCHDQVBOFY-ZDUSSCGKSA-N 1 2 310.372 4.133 20 30 DIEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1cccc(C#N)c1 ZINC000427807101 1043304524 /nfs/dbraw/zinc/30/45/24/1043304524.db2.gz SLKFBFGRPNZWET-UHFFFAOYSA-N 1 2 305.406 4.345 20 30 DIEDLO CCC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ncccc1Cl ZINC000925477498 1043422081 /nfs/dbraw/zinc/42/20/81/1043422081.db2.gz REORGZCPDVTYCC-INIZCTEOSA-N 1 2 317.795 4.377 20 30 DIEDLO COc1cc(C[N@H+](C)[C@H](C)c2c(F)cccc2F)ccc1C#N ZINC000442800293 1043427163 /nfs/dbraw/zinc/42/71/63/1043427163.db2.gz LPBKQGSHCCLTAZ-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1cc(C[N@@H+](C)[C@H](C)c2c(F)cccc2F)ccc1C#N ZINC000442800293 1043427167 /nfs/dbraw/zinc/42/71/67/1043427167.db2.gz LPBKQGSHCCLTAZ-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO N#CC1(C[NH2+][C@@H](Cc2ccc(F)cc2Cl)c2ccco2)CC1 ZINC000926872819 1043646845 /nfs/dbraw/zinc/64/68/45/1043646845.db2.gz BLHANSOLTPLUSB-HNNXBMFYSA-N 1 2 318.779 4.249 20 30 DIEDLO CC(C)[N@H+](Cc1nc(Cl)cs1)Cc1ccc(C#N)cc1 ZINC000876581852 1043696837 /nfs/dbraw/zinc/69/68/37/1043696837.db2.gz FLWAVDRBIRTSHY-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO CC(C)[N@@H+](Cc1nc(Cl)cs1)Cc1ccc(C#N)cc1 ZINC000876581852 1043696852 /nfs/dbraw/zinc/69/68/52/1043696852.db2.gz FLWAVDRBIRTSHY-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000876579839 1043697224 /nfs/dbraw/zinc/69/72/24/1043697224.db2.gz NDGVEYGZJDNONE-CQSZACIVSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000876579839 1043697230 /nfs/dbraw/zinc/69/72/30/1043697230.db2.gz NDGVEYGZJDNONE-CQSZACIVSA-N 1 2 303.818 4.005 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)CCC1 ZINC000929487021 1043821002 /nfs/dbraw/zinc/82/10/02/1043821002.db2.gz YVMHUWXBIJUIRB-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)CCC1 ZINC000929487021 1043821017 /nfs/dbraw/zinc/82/10/17/1043821017.db2.gz YVMHUWXBIJUIRB-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO CC(C)[N@H+](Cc1scnc1Cl)Cc1ccc(C#N)cc1 ZINC000878005685 1043839588 /nfs/dbraw/zinc/83/95/88/1043839588.db2.gz TYNUTBBEROXMNI-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO CC(C)[N@@H+](Cc1scnc1Cl)Cc1ccc(C#N)cc1 ZINC000878005685 1043839605 /nfs/dbraw/zinc/83/96/05/1043839605.db2.gz TYNUTBBEROXMNI-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3c(Cl)cncc3Cl)CC2)c1 ZINC000878364443 1043880193 /nfs/dbraw/zinc/88/01/93/1043880193.db2.gz INNXVNCMMPOTOI-UHFFFAOYSA-N 1 2 318.207 4.039 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCOC[C@@H]2c2cccc(F)c2)CCC1 ZINC000931017293 1043983883 /nfs/dbraw/zinc/98/38/83/1043983883.db2.gz FMLQKSUVJZMZMW-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)CCC1 ZINC000931017293 1043983891 /nfs/dbraw/zinc/98/38/91/1043983891.db2.gz FMLQKSUVJZMZMW-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO C=CCCC[C@@H]([NH2+]Cc1nc(C(F)F)no1)c1ccccc1 ZINC000880390511 1044038755 /nfs/dbraw/zinc/03/87/55/1044038755.db2.gz RZFXQMUFTORHPP-CYBMUJFWSA-N 1 2 307.344 4.194 20 30 DIEDLO CC(C)c1ccc(CC[N@H+](CCC#N)Cc2cccnc2)cc1 ZINC000346667883 1044128455 /nfs/dbraw/zinc/12/84/55/1044128455.db2.gz ZGRQQZJLSDPPCP-UHFFFAOYSA-N 1 2 307.441 4.163 20 30 DIEDLO CC(C)c1ccc(CC[N@@H+](CCC#N)Cc2cccnc2)cc1 ZINC000346667883 1044128458 /nfs/dbraw/zinc/12/84/58/1044128458.db2.gz ZGRQQZJLSDPPCP-UHFFFAOYSA-N 1 2 307.441 4.163 20 30 DIEDLO C=CC[C@@H](C)Sc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000882029479 1044145140 /nfs/dbraw/zinc/14/51/40/1044145140.db2.gz FIZPUVSRAWZDKX-ZIAGYGMSSA-N 1 2 310.511 4.148 20 30 DIEDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000347153499 1044201901 /nfs/dbraw/zinc/20/19/01/1044201901.db2.gz ARIPJEBBZWBOGC-UGSOOPFHSA-N 1 2 311.816 4.190 20 30 DIEDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000347153499 1044201911 /nfs/dbraw/zinc/20/19/11/1044201911.db2.gz ARIPJEBBZWBOGC-UGSOOPFHSA-N 1 2 311.816 4.190 20 30 DIEDLO CCCCCCCCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000759468420 1044273085 /nfs/dbraw/zinc/27/30/85/1044273085.db2.gz GGVSVOOXNZOOEB-ZWKOTPCHSA-N 1 2 319.493 4.433 20 30 DIEDLO Cc1ccc2c(Nc3c(C#N)cnn3C(C)(C)C)cccc2[nH+]1 ZINC001212794266 1044311865 /nfs/dbraw/zinc/31/18/65/1044311865.db2.gz RJDQGOXZFPRPFC-UHFFFAOYSA-N 1 2 305.385 4.110 20 30 DIEDLO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000186330775 1044379101 /nfs/dbraw/zinc/37/91/01/1044379101.db2.gz YWIVBBGFRSJZPU-CQSZACIVSA-N 1 2 324.428 4.148 20 30 DIEDLO CCOCc1ccc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)cc1 ZINC000924641960 1045188246 /nfs/dbraw/zinc/18/82/46/1045188246.db2.gz XAPFQRLOUMVVHC-LJQANCHMSA-N 1 2 324.424 4.041 20 30 DIEDLO C=C(Cl)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000779107329 1045285156 /nfs/dbraw/zinc/28/51/56/1045285156.db2.gz ZGGBSBLSGXOYTJ-INIZCTEOSA-N 1 2 302.761 4.026 20 30 DIEDLO CC(=O)c1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000450450881 1045507786 /nfs/dbraw/zinc/50/77/86/1045507786.db2.gz IBHZREDOGGUCBW-SFTDATJTSA-N 1 2 318.420 4.161 20 30 DIEDLO CC(=O)c1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000450450881 1045507791 /nfs/dbraw/zinc/50/77/91/1045507791.db2.gz IBHZREDOGGUCBW-SFTDATJTSA-N 1 2 318.420 4.161 20 30 DIEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC001120661271 1045541604 /nfs/dbraw/zinc/54/16/04/1045541604.db2.gz ODTNZJLKKYSTGT-SUMWQHHRSA-N 1 2 313.401 4.010 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(F)c(F)c1 ZINC000628240730 1045551921 /nfs/dbraw/zinc/55/19/21/1045551921.db2.gz QJJMXEPGKUMXHD-MRXNPFEDSA-N 1 2 304.340 4.237 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccccc1 ZINC000450887073 1045590902 /nfs/dbraw/zinc/59/09/02/1045590902.db2.gz HBHHZTGBCWWMFC-UHFFFAOYSA-N 1 2 323.362 4.024 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccccc1 ZINC000450887073 1045590917 /nfs/dbraw/zinc/59/09/17/1045590917.db2.gz HBHHZTGBCWWMFC-UHFFFAOYSA-N 1 2 323.362 4.024 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3/C[C@H](C)c4ccccc4C3=O)n21 ZINC000751537521 1045613575 /nfs/dbraw/zinc/61/35/75/1045613575.db2.gz XOPNLURJCCNWMZ-WZMONFQBSA-N 1 2 302.377 4.416 20 30 DIEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000191140095 1045661173 /nfs/dbraw/zinc/66/11/73/1045661173.db2.gz KNFKBDRCRMUGJR-ZDUSSCGKSA-N 1 2 320.820 4.190 20 30 DIEDLO C=CC[N@H+](CCOC)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000191140095 1045661178 /nfs/dbraw/zinc/66/11/78/1045661178.db2.gz KNFKBDRCRMUGJR-ZDUSSCGKSA-N 1 2 320.820 4.190 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cccc(C(F)(F)F)c1 ZINC000901417258 1045729508 /nfs/dbraw/zinc/72/95/08/1045729508.db2.gz LHBVVPXFDWCKNU-SREVYHEPSA-N 1 2 308.303 4.379 20 30 DIEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(SCC(F)F)cc2)[nH+]c1C ZINC000901478726 1045743417 /nfs/dbraw/zinc/74/34/17/1045743417.db2.gz ACMYWIMNBSKIBD-BQYQJAHWSA-N 1 2 322.380 4.280 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2cc(F)c(Cl)cc2C1=O ZINC000901543507 1045760426 /nfs/dbraw/zinc/76/04/26/1045760426.db2.gz OMMYNTIDODLDHV-WCIBSUBMSA-N 1 2 304.752 4.079 20 30 DIEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3ccc(C)cn13)CC2 ZINC000753901090 1045816437 /nfs/dbraw/zinc/81/64/37/1045816437.db2.gz VYPWBZINQOZLCC-MHWRWJLKSA-N 1 2 302.377 4.164 20 30 DIEDLO CCc1nc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)cs1 ZINC000531756195 1045916985 /nfs/dbraw/zinc/91/69/85/1045916985.db2.gz LILFRMQWVNUDJQ-UHFFFAOYSA-N 1 2 313.470 4.139 20 30 DIEDLO CCc1nc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cs1 ZINC000531756195 1045917001 /nfs/dbraw/zinc/91/70/01/1045917001.db2.gz LILFRMQWVNUDJQ-UHFFFAOYSA-N 1 2 313.470 4.139 20 30 DIEDLO C=CCC1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCCCC1 ZINC001137905084 1046007772 /nfs/dbraw/zinc/00/77/72/1046007772.db2.gz YBIOCVUGHIEWOY-UHFFFAOYSA-N 1 2 323.440 4.015 20 30 DIEDLO CCCCCCCC[C@H](C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000831209436 1046125683 /nfs/dbraw/zinc/12/56/83/1046125683.db2.gz IBIMHRPOKCHRRU-IRXDYDNUSA-N 1 2 319.493 4.123 20 30 DIEDLO C#CCCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000779887125 1046154244 /nfs/dbraw/zinc/15/42/44/1046154244.db2.gz IFYSKEPEHWEQMV-UHFFFAOYSA-N 1 2 315.804 4.048 20 30 DIEDLO CCc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)s1 ZINC000783702504 1046180935 /nfs/dbraw/zinc/18/09/35/1046180935.db2.gz YQALSJAWDCWYNU-HWKANZROSA-N 1 2 314.435 4.454 20 30 DIEDLO COc1c(Cl)cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001138478323 1046196444 /nfs/dbraw/zinc/19/64/44/1046196444.db2.gz VHKNBMCSRBCFKN-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)cc(C[N@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001138478323 1046196446 /nfs/dbraw/zinc/19/64/46/1046196446.db2.gz VHKNBMCSRBCFKN-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001138478703 1046196885 /nfs/dbraw/zinc/19/68/85/1046196885.db2.gz DBJNNRPXGMNSJE-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001138478703 1046196890 /nfs/dbraw/zinc/19/68/90/1046196890.db2.gz DBJNNRPXGMNSJE-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(Cl)c1F ZINC000903265205 1046213222 /nfs/dbraw/zinc/21/32/22/1046213222.db2.gz YSWMOYVENTXHBI-LBPRGKRZSA-N 1 2 309.797 4.048 20 30 DIEDLO Cc1cc2cc([C@@H](C)[NH2+]Cc3nc(C#N)cs3)oc2cc1C ZINC000903263879 1046214367 /nfs/dbraw/zinc/21/43/67/1046214367.db2.gz ORTPTKLYDXHZGC-GFCCVEGCSA-N 1 2 311.410 4.229 20 30 DIEDLO COc1cc(Cl)cc(C[N@H+](CCC#N)C2CCCC2)c1OC ZINC001138746711 1046285854 /nfs/dbraw/zinc/28/58/54/1046285854.db2.gz MHJPFECWCPXPGB-UHFFFAOYSA-N 1 2 322.836 4.015 20 30 DIEDLO COc1cc(Cl)cc(C[N@@H+](CCC#N)C2CCCC2)c1OC ZINC001138746711 1046285861 /nfs/dbraw/zinc/28/58/61/1046285861.db2.gz MHJPFECWCPXPGB-UHFFFAOYSA-N 1 2 322.836 4.015 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000758724035 1046288246 /nfs/dbraw/zinc/28/82/46/1046288246.db2.gz ZPSYORQNDNOTSJ-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000758724035 1046288260 /nfs/dbraw/zinc/28/82/60/1046288260.db2.gz ZPSYORQNDNOTSJ-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO CC(=[NH+]Nc1cccc2ncccc21)c1ccc(F)cc1N(C)C ZINC000759203267 1046333816 /nfs/dbraw/zinc/33/38/16/1046333816.db2.gz XYRCYQRFDJEKNY-UHFFFAOYSA-N 1 2 322.387 4.276 20 30 DIEDLO CCOc1ccc(Cl)cc1C[N@H+](CCC#N)C1CCCC1 ZINC001139009080 1046356423 /nfs/dbraw/zinc/35/64/23/1046356423.db2.gz CUUIHYOJZZNCSO-UHFFFAOYSA-N 1 2 306.837 4.397 20 30 DIEDLO CCOc1ccc(Cl)cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001139009080 1046356435 /nfs/dbraw/zinc/35/64/35/1046356435.db2.gz CUUIHYOJZZNCSO-UHFFFAOYSA-N 1 2 306.837 4.397 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(F)c(F)c1 ZINC000639057749 1046357194 /nfs/dbraw/zinc/35/71/94/1046357194.db2.gz DXYVDJKVLJWQMN-SJORKVTESA-N 1 2 317.383 4.056 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3c[nH]c4cc(F)ccc43)n21 ZINC000748997196 1046421588 /nfs/dbraw/zinc/42/15/88/1046421588.db2.gz HMCKFOVTMGWQHS-SOFGYWHQSA-N 1 2 319.339 4.159 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3\CSc4ccc(F)cc4C3=O)n21 ZINC000748999209 1046422354 /nfs/dbraw/zinc/42/23/54/1046422354.db2.gz PPMWAAMQZZRMMF-KPKJPENVSA-N 1 2 324.380 4.154 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3c[nH]c4ccccc34)n21 ZINC000748999927 1046423127 /nfs/dbraw/zinc/42/31/27/1046423127.db2.gz ZIULGLNGIQCUFE-MDZDMXLPSA-N 1 2 301.349 4.020 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc2cc(O)ccc2c1 ZINC001139337466 1046430957 /nfs/dbraw/zinc/43/09/57/1046430957.db2.gz RHVVHMRSUPUKBD-UHFFFAOYSA-N 1 2 316.404 4.461 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc2cc(O)ccc2c1 ZINC001139337466 1046430963 /nfs/dbraw/zinc/43/09/63/1046430963.db2.gz RHVVHMRSUPUKBD-UHFFFAOYSA-N 1 2 316.404 4.461 20 30 DIEDLO O=C1c2c3ccccc3[nH]c2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000781552106 1046454384 /nfs/dbraw/zinc/45/43/84/1046454384.db2.gz PAIBSILONDEPFS-OUKQBFOZSA-N 1 2 313.360 4.028 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2c(F)cccc2F)cc1F ZINC001139530865 1046464697 /nfs/dbraw/zinc/46/46/97/1046464697.db2.gz UYOOKKJTRYCKKT-QGZVFWFLSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2c(F)cccc2F)cc1F ZINC001139530865 1046464704 /nfs/dbraw/zinc/46/47/04/1046464704.db2.gz UYOOKKJTRYCKKT-QGZVFWFLSA-N 1 2 316.326 4.313 20 30 DIEDLO C=CCn1cc(C[N@@H+](C)Cc2ccc(Cl)cc2Cl)cn1 ZINC001139765927 1046514877 /nfs/dbraw/zinc/51/48/77/1046514877.db2.gz IDTNTUYMZFTUKA-UHFFFAOYSA-N 1 2 310.228 4.008 20 30 DIEDLO C=CCn1cc(C[N@H+](C)Cc2ccc(Cl)cc2Cl)cn1 ZINC001139765927 1046514882 /nfs/dbraw/zinc/51/48/82/1046514882.db2.gz IDTNTUYMZFTUKA-UHFFFAOYSA-N 1 2 310.228 4.008 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Cl)sc1Cl ZINC000783294736 1046574595 /nfs/dbraw/zinc/57/45/95/1046574595.db2.gz VHBBKKWMHSNPBF-QMMMGPOBSA-N 1 2 312.225 4.172 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c(F)c1 ZINC001140139752 1046598669 /nfs/dbraw/zinc/59/86/69/1046598669.db2.gz CYBCWLRLHAUOFC-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c(F)c1 ZINC001140139752 1046598678 /nfs/dbraw/zinc/59/86/78/1046598678.db2.gz CYBCWLRLHAUOFC-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC001140212373 1046616053 /nfs/dbraw/zinc/61/60/53/1046616053.db2.gz HMCZCUJEVBGOML-UHFFFAOYSA-N 1 2 313.214 4.104 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC001140212373 1046616060 /nfs/dbraw/zinc/61/60/60/1046616060.db2.gz HMCZCUJEVBGOML-UHFFFAOYSA-N 1 2 313.214 4.104 20 30 DIEDLO Cc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)s1 ZINC000783702221 1046623711 /nfs/dbraw/zinc/62/37/11/1046623711.db2.gz TWNFCDFOMKRFMR-ONEGZZNKSA-N 1 2 300.408 4.200 20 30 DIEDLO O=C1c2ccsc2CC/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783706037 1046625565 /nfs/dbraw/zinc/62/55/65/1046625565.db2.gz GDSLFJJNTBAZLV-YRNVUSSQSA-N 1 2 312.419 4.208 20 30 DIEDLO Clc1cccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783781897 1046633151 /nfs/dbraw/zinc/63/31/51/1046633151.db2.gz BEPSEKYTDTUJGG-UHFFFAOYSA-N 1 2 302.790 4.033 20 30 DIEDLO Clc1ccc(C2CC(=[NH+]n3cc(Br)cn3)C2)cc1 ZINC000783856582 1046637580 /nfs/dbraw/zinc/63/75/80/1046637580.db2.gz DSCXIZHDEKEPCM-UHFFFAOYSA-N 1 2 324.609 4.081 20 30 DIEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000533323450 1046696031 /nfs/dbraw/zinc/69/60/31/1046696031.db2.gz OXHSETNOBFRSGL-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000533323450 1046696035 /nfs/dbraw/zinc/69/60/35/1046696035.db2.gz OXHSETNOBFRSGL-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCSc3ccccc3C2)c1Cl ZINC001140814906 1046913881 /nfs/dbraw/zinc/91/38/81/1046913881.db2.gz TXECEFSIBJGLGB-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCSc3ccccc3C2)c1Cl ZINC001140814906 1046913888 /nfs/dbraw/zinc/91/38/88/1046913888.db2.gz TXECEFSIBJGLGB-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO Fc1cc(C[NH+]2CCC(F)(F)CC2)cc(F)c1C(F)(F)F ZINC001140878355 1046939938 /nfs/dbraw/zinc/93/99/38/1046939938.db2.gz UBQYIAHWMIFBLO-UHFFFAOYSA-N 1 2 315.232 4.215 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140881155 1046941764 /nfs/dbraw/zinc/94/17/64/1046941764.db2.gz NWQBYDXGHATOLV-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140881155 1046941770 /nfs/dbraw/zinc/94/17/70/1046941770.db2.gz NWQBYDXGHATOLV-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000798936455 1046990570 /nfs/dbraw/zinc/99/05/70/1046990570.db2.gz HPFVUFFAHJQZPE-UWVGGRQHSA-N 1 2 316.214 4.299 20 30 DIEDLO COc1ccccc1CON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000799118782 1047000238 /nfs/dbraw/zinc/00/02/38/1047000238.db2.gz UTHAKDSYJORCSY-UHFFFAOYSA-N 1 2 323.396 4.017 20 30 DIEDLO C=CCC[C@@H](C)[NH2+][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000273476739 1047018972 /nfs/dbraw/zinc/01/89/72/1047018972.db2.gz KYTPIXHGIIWZMA-ABAIWWIYSA-N 1 2 305.809 4.065 20 30 DIEDLO N#Cc1csc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000536710006 1047083240 /nfs/dbraw/zinc/08/32/40/1047083240.db2.gz MFGBHOWDXBULLW-INIZCTEOSA-N 1 2 323.421 4.488 20 30 DIEDLO N#Cc1csc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000536710006 1047083253 /nfs/dbraw/zinc/08/32/53/1047083253.db2.gz MFGBHOWDXBULLW-INIZCTEOSA-N 1 2 323.421 4.488 20 30 DIEDLO C=CCC[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000681660496 1047138358 /nfs/dbraw/zinc/13/83/58/1047138358.db2.gz HYTFNKORVBZEKK-KRWDZBQOSA-N 1 2 305.381 4.023 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(-c2ccccc2)o1 ZINC001117391810 1047227874 /nfs/dbraw/zinc/22/78/74/1047227874.db2.gz MOSICHYDHGEXKR-KHPPLWFESA-N 1 2 318.376 4.304 20 30 DIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000749334258 1047411030 /nfs/dbraw/zinc/41/10/30/1047411030.db2.gz SLBDMRHCWZVXSC-INIZCTEOSA-N 1 2 318.424 4.009 20 30 DIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000749334258 1047411054 /nfs/dbraw/zinc/41/10/54/1047411054.db2.gz SLBDMRHCWZVXSC-INIZCTEOSA-N 1 2 318.424 4.009 20 30 DIEDLO C[N@H+](Cc1cccc2cccnc21)Cc1c(F)ccc(C#N)c1F ZINC001143173047 1047537514 /nfs/dbraw/zinc/53/75/14/1047537514.db2.gz MIFHUBCTBLWREL-UHFFFAOYSA-N 1 2 323.346 4.017 20 30 DIEDLO C[N@@H+](Cc1cccc2cccnc21)Cc1c(F)ccc(C#N)c1F ZINC001143173047 1047537518 /nfs/dbraw/zinc/53/75/18/1047537518.db2.gz MIFHUBCTBLWREL-UHFFFAOYSA-N 1 2 323.346 4.017 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+]2CC=C(c3ccccc3)CC2)c1F ZINC001143173750 1047537908 /nfs/dbraw/zinc/53/79/08/1047537908.db2.gz DTCOPHZGZJKPLJ-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+]2CC=C(c3ccccc3)CC2)c1F ZINC001143173750 1047537915 /nfs/dbraw/zinc/53/79/15/1047537915.db2.gz DTCOPHZGZJKPLJ-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000093090533 1047543288 /nfs/dbraw/zinc/54/32/88/1047543288.db2.gz HPWLXOMLAPQORC-SNVBAGLBSA-N 1 2 311.212 4.003 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000093090533 1047543293 /nfs/dbraw/zinc/54/32/93/1047543293.db2.gz HPWLXOMLAPQORC-SNVBAGLBSA-N 1 2 311.212 4.003 20 30 DIEDLO C=CC[NH+](CC=C)Cc1c(OC)ccc(F)c1C(F)(F)F ZINC001143310833 1047550770 /nfs/dbraw/zinc/55/07/70/1047550770.db2.gz RPJVHMHVOKTLTN-UHFFFAOYSA-N 1 2 303.299 4.027 20 30 DIEDLO C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(C#N)c(F)c1 ZINC000538511950 1047685279 /nfs/dbraw/zinc/68/52/79/1047685279.db2.gz SLAZRCJEDHKGAB-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO [NH2+]=C(Nc1ccc2c(n1)CCCC2)c1ccc(C(F)(F)F)cc1 ZINC001155850125 1047690027 /nfs/dbraw/zinc/69/00/27/1047690027.db2.gz CMIBAXAESMJUNN-UHFFFAOYSA-N 1 2 319.330 4.016 20 30 DIEDLO Cc1cc(Cl)cc(Cl)c1CNc1cc(CC#N)cc[nH+]1 ZINC001156992615 1047732087 /nfs/dbraw/zinc/73/20/87/1047732087.db2.gz PCLFOFYMSPTIIT-UHFFFAOYSA-N 1 2 306.196 4.375 20 30 DIEDLO N#C[C@H]1CC[C@H](Nc2[nH+]cccc2OCc2ccccc2)CC1 ZINC001157055863 1047734793 /nfs/dbraw/zinc/73/47/93/1047734793.db2.gz YFCNBWWDEBBKKU-JCNLHEQBSA-N 1 2 307.397 4.155 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001197620738 1047849003 /nfs/dbraw/zinc/84/90/03/1047849003.db2.gz CXWKGYPINBFATD-LJQANCHMSA-N 1 2 306.409 4.001 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001197620738 1047849018 /nfs/dbraw/zinc/84/90/18/1047849018.db2.gz CXWKGYPINBFATD-LJQANCHMSA-N 1 2 306.409 4.001 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC001182999738 1047875299 /nfs/dbraw/zinc/87/52/99/1047875299.db2.gz IZDCBKPQCYLWOL-IBGZPJMESA-N 1 2 310.372 4.354 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC001182999738 1047875312 /nfs/dbraw/zinc/87/53/12/1047875312.db2.gz IZDCBKPQCYLWOL-IBGZPJMESA-N 1 2 310.372 4.354 20 30 DIEDLO FC(F)(F)c1cccc2c1CC[N@H+](CC#Cc1ccccc1)C2 ZINC001183225741 1047906379 /nfs/dbraw/zinc/90/63/79/1047906379.db2.gz AMQTXOVBNABFOK-UHFFFAOYSA-N 1 2 315.338 4.115 20 30 DIEDLO FC(F)(F)c1cccc2c1CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001183225741 1047906387 /nfs/dbraw/zinc/90/63/87/1047906387.db2.gz AMQTXOVBNABFOK-UHFFFAOYSA-N 1 2 315.338 4.115 20 30 DIEDLO C=C(C)C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C(=O)OC ZINC001183323993 1047916753 /nfs/dbraw/zinc/91/67/53/1047916753.db2.gz JFOJPGJZDCRGIU-UAGQMJEPSA-N 1 2 321.848 4.074 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001183768612 1047961534 /nfs/dbraw/zinc/96/15/34/1047961534.db2.gz JTQSUBLWALIEBZ-MRXNPFEDSA-N 1 2 306.409 4.098 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001183768612 1047961548 /nfs/dbraw/zinc/96/15/48/1047961548.db2.gz JTQSUBLWALIEBZ-MRXNPFEDSA-N 1 2 306.409 4.098 20 30 DIEDLO N#Cc1cc(Nc2cccc3[nH+]c[nH]c32)ccc1N1CCCCC1 ZINC001213032344 1048127201 /nfs/dbraw/zinc/12/72/01/1048127201.db2.gz AOEXLUPZBDCDBA-UHFFFAOYSA-N 1 2 317.396 4.168 20 30 DIEDLO N#Cc1cc(OC(F)(F)F)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213034553 1048153728 /nfs/dbraw/zinc/15/37/28/1048153728.db2.gz QGEHSJKDTSUMLY-UHFFFAOYSA-N 1 2 318.258 4.077 20 30 DIEDLO N#C[C@H](Nc1cc2c3c(c1)CCC[NH+]3CCC2)c1ccccc1 ZINC001161721474 1048160018 /nfs/dbraw/zinc/16/00/18/1048160018.db2.gz OASLEIOXVIIOCV-IBGZPJMESA-N 1 2 303.409 4.062 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N[C@H](c3ccnc(F)c3)C3CC3)c2c1 ZINC001161839763 1048183199 /nfs/dbraw/zinc/18/31/99/1048183199.db2.gz FLKSISNWKLDXCG-SFHVURJKSA-N 1 2 318.355 4.204 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@H](CC)c1ccn(C)n1)c1ccc(F)c(F)c1 ZINC000480659803 1048209163 /nfs/dbraw/zinc/20/91/63/1048209163.db2.gz DWGFFAZNWWMPRL-NVXWUHKLSA-N 1 2 305.372 4.056 20 30 DIEDLO N#Cc1c(Nc2ccc(N)[nH+]c2)sc2cc(Cl)ccc12 ZINC001201275446 1048231399 /nfs/dbraw/zinc/23/13/99/1048231399.db2.gz FTNYDBIFYXPICZ-UHFFFAOYSA-N 1 2 300.774 4.147 20 30 DIEDLO Cc1cn2c(cccc2Nc2ccc(C(F)(F)F)cc2C#N)[nH+]1 ZINC001201683699 1048356886 /nfs/dbraw/zinc/35/68/86/1048356886.db2.gz XDMHVEWBJWRAGI-UHFFFAOYSA-N 1 2 316.286 4.277 20 30 DIEDLO N#CC1(CNc2cc[nH+]c3ccc(Oc4ccccc4)cc23)CC1 ZINC000555476850 1048362070 /nfs/dbraw/zinc/36/20/70/1048362070.db2.gz KGIYRIKIENDSMB-UHFFFAOYSA-N 1 2 315.376 4.165 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2ccc(N3CCCCC3)c(C#N)c2)c1 ZINC001203663746 1048405175 /nfs/dbraw/zinc/40/51/75/1048405175.db2.gz QODOBCDBAONSTE-UHFFFAOYSA-N 1 2 306.413 4.304 20 30 DIEDLO COc1c(F)cccc1[C@@H](C)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001163333944 1048455465 /nfs/dbraw/zinc/45/54/65/1048455465.db2.gz CHCFXIILLZNTCD-GFCCVEGCSA-N 1 2 321.355 4.427 20 30 DIEDLO COc1cc[nH+]cc1Nc1ccc(-c2ccc(C#N)cc2)cc1 ZINC001176121082 1048576291 /nfs/dbraw/zinc/57/62/91/1048576291.db2.gz GMVMVQLSCPASEX-UHFFFAOYSA-N 1 2 301.349 4.372 20 30 DIEDLO Cc1cc(NCc2ccc(C3(C#N)CC3)cc2)ccc1[NH+](C)C ZINC000850205384 1048622638 /nfs/dbraw/zinc/62/26/38/1048622638.db2.gz DDPDGLGDKGMFEJ-UHFFFAOYSA-N 1 2 305.425 4.228 20 30 DIEDLO CCCCn1nc(C)c(C[NH2+]CC2(C#N)CCCCC2)c1Cl ZINC000850390742 1048647035 /nfs/dbraw/zinc/64/70/35/1048647035.db2.gz QQMGGYOABCZKPW-UHFFFAOYSA-N 1 2 322.884 4.209 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccsc2Cl)C2CC2)cc1 ZINC000483170093 1048752513 /nfs/dbraw/zinc/75/25/13/1048752513.db2.gz RARWMPJUWPFFMW-UHFFFAOYSA-N 1 2 302.830 4.438 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccsc2Cl)C2CC2)cc1 ZINC000483170093 1048752527 /nfs/dbraw/zinc/75/25/27/1048752527.db2.gz RARWMPJUWPFFMW-UHFFFAOYSA-N 1 2 302.830 4.438 20 30 DIEDLO N#Cc1c(Nc2ccc[nH+]c2N2CCCC2)sc2c1CCCC2 ZINC001176742912 1048775653 /nfs/dbraw/zinc/77/56/53/1048775653.db2.gz CBPAQYQQPVHDAB-UHFFFAOYSA-N 1 2 324.453 4.237 20 30 DIEDLO N#Cc1oc2ccccc2c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749766 1048777273 /nfs/dbraw/zinc/77/72/73/1048777273.db2.gz JROWDPMWZGJYMS-UHFFFAOYSA-N 1 2 304.353 4.043 20 30 DIEDLO CC(C)c1cccc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852333185 1048836220 /nfs/dbraw/zinc/83/62/20/1048836220.db2.gz ZESQZRYBUPBMBD-OAQYLSRUSA-N 1 2 319.452 4.262 20 30 DIEDLO CC(C)c1cccc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852333185 1048836234 /nfs/dbraw/zinc/83/62/34/1048836234.db2.gz ZESQZRYBUPBMBD-OAQYLSRUSA-N 1 2 319.452 4.262 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000852687034 1048855462 /nfs/dbraw/zinc/85/54/62/1048855462.db2.gz OPXKYNSCFQULLE-CYBMUJFWSA-N 1 2 300.349 4.034 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000852687034 1048855484 /nfs/dbraw/zinc/85/54/84/1048855484.db2.gz OPXKYNSCFQULLE-CYBMUJFWSA-N 1 2 300.349 4.034 20 30 DIEDLO N#CC1(c2ccccc2)CC[NH+](Cc2cccc(F)c2F)CC1 ZINC001204192917 1048875418 /nfs/dbraw/zinc/87/54/18/1048875418.db2.gz DZEUGSWBJKBPBN-UHFFFAOYSA-N 1 2 312.363 4.022 20 30 DIEDLO CC[N@H+](Cc1csc(C2CC2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000161418630 1048926741 /nfs/dbraw/zinc/92/67/41/1048926741.db2.gz HAKNOYUHWPQMDS-ZDUSSCGKSA-N 1 2 311.454 4.475 20 30 DIEDLO CC[N@@H+](Cc1csc(C2CC2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000161418630 1048926749 /nfs/dbraw/zinc/92/67/49/1048926749.db2.gz HAKNOYUHWPQMDS-ZDUSSCGKSA-N 1 2 311.454 4.475 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2ccc(C#N)cc2OC(F)(F)F)c1 ZINC001203663625 1048955295 /nfs/dbraw/zinc/95/52/95/1048955295.db2.gz URZCGGFIYPBZDC-UHFFFAOYSA-N 1 2 307.275 4.212 20 30 DIEDLO CC(=O)c1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001203724180 1048979784 /nfs/dbraw/zinc/97/97/84/1048979784.db2.gz HXKGPTXABLOWAM-UHFFFAOYSA-N 1 2 319.408 4.495 20 30 DIEDLO CCCCCCCCCCCCNC(=O)NCc1c[nH+]cn1C ZINC001191852365 1049004192 /nfs/dbraw/zinc/00/41/92/1049004192.db2.gz UWSXHYKTPFOIGH-UHFFFAOYSA-N 1 2 322.497 4.140 20 30 DIEDLO CC(=[NH+]Nc1nc2ccccc2cc1C)c1ccc(N)cc1C ZINC000776785209 1049008096 /nfs/dbraw/zinc/00/80/96/1049008096.db2.gz FSNPEJPIEKNSJS-UHFFFAOYSA-N 1 2 304.397 4.270 20 30 DIEDLO COc1ccc(Oc2cccc(C[N@@H+]3CC[C@](C)(C#N)C3)c2)cc1 ZINC001203820535 1049009298 /nfs/dbraw/zinc/00/92/98/1049009298.db2.gz SKDHQMNVPYBEMN-HXUWFJFHSA-N 1 2 322.408 4.223 20 30 DIEDLO COc1ccc(Oc2cccc(C[N@H+]3CC[C@](C)(C#N)C3)c2)cc1 ZINC001203820535 1049009312 /nfs/dbraw/zinc/00/93/12/1049009312.db2.gz SKDHQMNVPYBEMN-HXUWFJFHSA-N 1 2 322.408 4.223 20 30 DIEDLO CCCCCCCCCC(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178922760 1049110946 /nfs/dbraw/zinc/11/09/46/1049110946.db2.gz XBYJSOGYNPGCOZ-UHFFFAOYSA-N 1 2 305.466 4.045 20 30 DIEDLO COc1ccc([C@H]([NH2+]Cc2cc(C#N)cs2)c2ccco2)cc1 ZINC001178966565 1049115742 /nfs/dbraw/zinc/11/57/42/1049115742.db2.gz GFPUMYZQGGTEMO-SFHVURJKSA-N 1 2 324.405 4.101 20 30 DIEDLO Fc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1C(F)(F)F ZINC001204484893 1049175008 /nfs/dbraw/zinc/17/50/08/1049175008.db2.gz MNETUQRZXKPBSO-VIFPVBQESA-N 1 2 315.232 4.229 20 30 DIEDLO Fc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1C(F)(F)F ZINC001204484893 1049175012 /nfs/dbraw/zinc/17/50/12/1049175012.db2.gz MNETUQRZXKPBSO-VIFPVBQESA-N 1 2 315.232 4.229 20 30 DIEDLO CCCCCCCCC/C=C\C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987426 1049212412 /nfs/dbraw/zinc/21/24/12/1049212412.db2.gz YNXWWFMEVDGPQH-SNGWPZLWSA-N 1 2 303.450 4.141 20 30 DIEDLO CSc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC001179961188 1049251091 /nfs/dbraw/zinc/25/10/91/1049251091.db2.gz BJSSQJBMEFBDII-DLBZAZTESA-N 1 2 312.438 4.273 20 30 DIEDLO CSc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC001179961188 1049251102 /nfs/dbraw/zinc/25/11/02/1049251102.db2.gz BJSSQJBMEFBDII-DLBZAZTESA-N 1 2 312.438 4.273 20 30 DIEDLO N#Cc1cc(Cl)cc(Cl)c1Nc1ccn2cc[nH+]c2c1 ZINC001204977595 1049327923 /nfs/dbraw/zinc/32/79/23/1049327923.db2.gz HNPLEVJVVLQWOO-UHFFFAOYSA-N 1 2 303.152 4.256 20 30 DIEDLO N#Cc1cc(Cl)c(Cl)cc1Nc1ccn2cc[nH+]c2c1 ZINC001205005357 1049337463 /nfs/dbraw/zinc/33/74/63/1049337463.db2.gz FURLQHYGGQYGKU-UHFFFAOYSA-N 1 2 303.152 4.256 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(F)c(N(C)C)cc1F ZINC001180505095 1049374785 /nfs/dbraw/zinc/37/47/85/1049374785.db2.gz FYBKHGCDWLJGPQ-UHFFFAOYSA-N 1 2 322.424 4.281 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(F)c(N(C)C)cc1F ZINC001180505095 1049374776 /nfs/dbraw/zinc/37/47/76/1049374776.db2.gz FYBKHGCDWLJGPQ-UHFFFAOYSA-N 1 2 322.424 4.281 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)ccc1F ZINC001205478954 1049480785 /nfs/dbraw/zinc/48/07/85/1049480785.db2.gz JTTSKEQWZVOKIB-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)ccc1F ZINC001205478954 1049480798 /nfs/dbraw/zinc/48/07/98/1049480798.db2.gz JTTSKEQWZVOKIB-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO CC[N@H+](Cc1c(F)cccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000487000067 1049505649 /nfs/dbraw/zinc/50/56/49/1049505649.db2.gz KBLIUVZDXFEJAD-ZDUSSCGKSA-N 1 2 300.352 4.420 20 30 DIEDLO CC[N@@H+](Cc1c(F)cccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000487000067 1049505657 /nfs/dbraw/zinc/50/56/57/1049505657.db2.gz KBLIUVZDXFEJAD-ZDUSSCGKSA-N 1 2 300.352 4.420 20 30 DIEDLO CC(C)Oc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000119123986 1049518922 /nfs/dbraw/zinc/51/89/22/1049518922.db2.gz SSKQTODGORMEQC-DHZHZOJOSA-N 1 2 306.365 4.018 20 30 DIEDLO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1c1cccnc1 ZINC001196546470 1049668472 /nfs/dbraw/zinc/66/84/72/1049668472.db2.gz ZDTKOVKNQXQOBK-GOSISDBHSA-N 1 2 310.828 4.170 20 30 DIEDLO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1c1cccnc1 ZINC001196546470 1049668480 /nfs/dbraw/zinc/66/84/80/1049668480.db2.gz ZDTKOVKNQXQOBK-GOSISDBHSA-N 1 2 310.828 4.170 20 30 DIEDLO CC1(C)C[N@H+](CC#Cc2cccc(Cl)c2)[C@H]1c1cccnc1 ZINC001196546506 1049669350 /nfs/dbraw/zinc/66/93/50/1049669350.db2.gz ZSPXOBZSAVZNTQ-SFHVURJKSA-N 1 2 310.828 4.170 20 30 DIEDLO CC1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1c1cccnc1 ZINC001196546506 1049669370 /nfs/dbraw/zinc/66/93/70/1049669370.db2.gz ZSPXOBZSAVZNTQ-SFHVURJKSA-N 1 2 310.828 4.170 20 30 DIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1c(F)cccc1Cl)C2 ZINC001196622352 1049676324 /nfs/dbraw/zinc/67/63/24/1049676324.db2.gz DTBYNMVUJVGISF-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO N#CCc1cccc2c1CC[N@H+](Cc1c(F)cccc1Cl)C2 ZINC001196622352 1049676356 /nfs/dbraw/zinc/67/63/56/1049676356.db2.gz DTBYNMVUJVGISF-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO Cc1cc(NCc2cccc(OCCCC#N)c2)ccc1[NH+](C)C ZINC000120191334 1049680172 /nfs/dbraw/zinc/68/01/72/1049680172.db2.gz QLMXKAATBPLWQD-UHFFFAOYSA-N 1 2 323.440 4.356 20 30 DIEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000489501240 1049761868 /nfs/dbraw/zinc/76/18/68/1049761868.db2.gz UMKGTCMVVYHFGL-ZDUSSCGKSA-N 1 2 317.458 4.209 20 30 DIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000489501240 1049761877 /nfs/dbraw/zinc/76/18/77/1049761877.db2.gz UMKGTCMVVYHFGL-ZDUSSCGKSA-N 1 2 317.458 4.209 20 30 DIEDLO C[N@H+](Cc1ccc(F)cc1C#N)Cc1ccccc1C(F)(F)F ZINC000489579763 1049767431 /nfs/dbraw/zinc/76/74/31/1049767431.db2.gz SXYFALQFGNOHIU-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C[N@@H+](Cc1ccc(F)cc1C#N)Cc1ccccc1C(F)(F)F ZINC000489579763 1049767438 /nfs/dbraw/zinc/76/74/38/1049767438.db2.gz SXYFALQFGNOHIU-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cc4ccccc4o3)n2c1 ZINC000151378456 1049875405 /nfs/dbraw/zinc/87/54/05/1049875405.db2.gz KRASBKUKSVACON-BQYQJAHWSA-N 1 2 302.333 4.285 20 30 DIEDLO CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001207412890 1049889182 /nfs/dbraw/zinc/88/91/82/1049889182.db2.gz MTCKPKZGPXYKPJ-ZWKOTPCHSA-N 1 2 304.478 4.032 20 30 DIEDLO CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001207412890 1049889189 /nfs/dbraw/zinc/88/91/89/1049889189.db2.gz MTCKPKZGPXYKPJ-ZWKOTPCHSA-N 1 2 304.478 4.032 20 30 DIEDLO CCCCCCC/C=C/C[NH+]1CC(N2CCC(F)(F)CC2)C1 ZINC001208117997 1049974225 /nfs/dbraw/zinc/97/42/25/1049974225.db2.gz AREILPCNOKOVFF-CMDGGOBGSA-N 1 2 314.464 4.318 20 30 DIEDLO C=CC[NH+](CC=C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000572504316 1050003912 /nfs/dbraw/zinc/00/39/12/1050003912.db2.gz KVOIKJPRHPRSFQ-FQEVSTJZSA-N 1 2 320.436 4.349 20 30 DIEDLO C[C@H](C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710081 1050005454 /nfs/dbraw/zinc/00/54/54/1050005454.db2.gz NSEDMYHEPGTZPK-KUHUBIRLSA-N 1 2 323.461 4.217 20 30 DIEDLO C[C@H](C[N@H+]1CC[C@@H]2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710081 1050005457 /nfs/dbraw/zinc/00/54/57/1050005457.db2.gz NSEDMYHEPGTZPK-KUHUBIRLSA-N 1 2 323.461 4.217 20 30 DIEDLO CCCC[N@H+](Cc1nc(C#N)cs1)[C@H](C)c1ccc(C)o1 ZINC000589495748 1050037817 /nfs/dbraw/zinc/03/78/17/1050037817.db2.gz HQMAJCQWYKBGGG-CYBMUJFWSA-N 1 2 303.431 4.280 20 30 DIEDLO CCCC[N@@H+](Cc1nc(C#N)cs1)[C@H](C)c1ccc(C)o1 ZINC000589495748 1050037824 /nfs/dbraw/zinc/03/78/24/1050037824.db2.gz HQMAJCQWYKBGGG-CYBMUJFWSA-N 1 2 303.431 4.280 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(N(C)c2ccccc2)cc1 ZINC000590050706 1050074321 /nfs/dbraw/zinc/07/43/21/1050074321.db2.gz LMKXBFLYJHDINH-UHFFFAOYSA-N 1 2 305.425 4.356 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(N(C)c2ccccc2)cc1 ZINC000590050706 1050074328 /nfs/dbraw/zinc/07/43/28/1050074328.db2.gz LMKXBFLYJHDINH-UHFFFAOYSA-N 1 2 305.425 4.356 20 30 DIEDLO Cc1cc(Nc2ccc(N3CCCC3)c(C#N)c2)ccc1[NH+](C)C ZINC001210043292 1050127510 /nfs/dbraw/zinc/12/75/10/1050127510.db2.gz LFQAXUZEFYSQRL-UHFFFAOYSA-N 1 2 320.440 4.277 20 30 DIEDLO C#CCCOc1ccc(CNc2ccc([NH+](C)C)cc2C)cc1 ZINC000770482020 1050165805 /nfs/dbraw/zinc/16/58/05/1050165805.db2.gz DASWCVHCMWIVAC-UHFFFAOYSA-N 1 2 308.425 4.075 20 30 DIEDLO N#Cc1cnn(-c2ccccc2)c1Nc1cccc2cc[nH+]cc21 ZINC001210224432 1050168594 /nfs/dbraw/zinc/16/85/94/1050168594.db2.gz MLLCTZLHETXMIV-UHFFFAOYSA-N 1 2 311.348 4.036 20 30 DIEDLO Cc1[nH+]cc(Nc2ccc(-c3ccc(C#N)cc3)cc2)cc1N ZINC001210288084 1050192173 /nfs/dbraw/zinc/19/21/73/1050192173.db2.gz KIHLGCUZWIZRBO-UHFFFAOYSA-N 1 2 300.365 4.255 20 30 DIEDLO Clc1ccc(NN=Cc2cccc3[nH+]ccn32)cc1Cl ZINC000771099566 1050219819 /nfs/dbraw/zinc/21/98/19/1050219819.db2.gz XLXWWUIGDHRDKW-UHFFFAOYSA-N 1 2 305.168 4.087 20 30 DIEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc(-c2ccncc2)cc[nH+]1 ZINC001171060150 1050225639 /nfs/dbraw/zinc/22/56/39/1050225639.db2.gz CXPDVOOVYZLCHE-LJQANCHMSA-N 1 2 312.376 4.115 20 30 DIEDLO COc1cccc2c(N[C@@H]3CCc4c3cccc4C#N)cc[nH+]c12 ZINC001171063122 1050237807 /nfs/dbraw/zinc/23/78/07/1050237807.db2.gz GMOPVIUPVAFWQD-QGZVFWFLSA-N 1 2 315.376 4.214 20 30 DIEDLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592071464 1050269978 /nfs/dbraw/zinc/26/99/78/1050269978.db2.gz HERWCBOSGJHJEI-RDTXWAMCSA-N 1 2 309.413 4.082 20 30 DIEDLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592071464 1050269993 /nfs/dbraw/zinc/26/99/93/1050269993.db2.gz HERWCBOSGJHJEI-RDTXWAMCSA-N 1 2 309.413 4.082 20 30 DIEDLO C=CC[N@@H+](Cn1cc(C(F)(F)F)cc(Cl)c1=S)C1CC1 ZINC000771640690 1050273240 /nfs/dbraw/zinc/27/32/40/1050273240.db2.gz JFWABSHLKDILBZ-UHFFFAOYSA-N 1 2 322.783 4.498 20 30 DIEDLO C=CC[N@H+](Cn1cc(C(F)(F)F)cc(Cl)c1=S)C1CC1 ZINC000771640690 1050273252 /nfs/dbraw/zinc/27/32/52/1050273252.db2.gz JFWABSHLKDILBZ-UHFFFAOYSA-N 1 2 322.783 4.498 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3csc(C(C)C)n3)c[nH+]c12 ZINC000771743338 1050277834 /nfs/dbraw/zinc/27/78/34/1050277834.db2.gz CIULDYUWLJPNRE-SREVYHEPSA-N 1 2 311.410 4.119 20 30 DIEDLO N#Cc1cc(Cl)cc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001210536842 1050286438 /nfs/dbraw/zinc/28/64/38/1050286438.db2.gz QRAURJUQGDWQMI-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C\c1c[nH+]c2ccc(C)cn12 ZINC000771855858 1050293321 /nfs/dbraw/zinc/29/33/21/1050293321.db2.gz CHLRIZAJBFDMCI-HJWRWDBZSA-N 1 2 315.376 4.329 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1F ZINC001143626050 1050327756 /nfs/dbraw/zinc/32/77/56/1050327756.db2.gz FOKAKQWOAHJMON-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1F ZINC001143626050 1050327770 /nfs/dbraw/zinc/32/77/70/1050327770.db2.gz FOKAKQWOAHJMON-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CCOc1cccc(/C=[NH+]/CCC2CC(OC(C)(C)C)C2)c1O ZINC000760990548 1050329476 /nfs/dbraw/zinc/32/94/76/1050329476.db2.gz PXRHMNBNIASVMS-DEDYPNTBSA-N 1 2 319.445 4.194 20 30 DIEDLO CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c1F ZINC001143833102 1050375638 /nfs/dbraw/zinc/37/56/38/1050375638.db2.gz UEXZEIDJMSXXJK-LBPRGKRZSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1c(Cl)ccc(C[N@H+]2CCC[C@H](C#N)CC2)c1F ZINC001143833102 1050375652 /nfs/dbraw/zinc/37/56/52/1050375652.db2.gz UEXZEIDJMSXXJK-LBPRGKRZSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1c(Cl)ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001143833221 1050376000 /nfs/dbraw/zinc/37/60/00/1050376000.db2.gz YNKTZJJZCMZJFL-DEZZGGKRSA-N 1 2 322.811 4.144 20 30 DIEDLO CCOc1c(Cl)ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001143833221 1050376012 /nfs/dbraw/zinc/37/60/12/1050376012.db2.gz YNKTZJJZCMZJFL-DEZZGGKRSA-N 1 2 322.811 4.144 20 30 DIEDLO N#CCc1ccc[nH+]c1NC/C(=C/F)CCc1ccc(F)cc1 ZINC001170051190 1050419893 /nfs/dbraw/zinc/41/98/93/1050419893.db2.gz WNVDUSQKXUCUOR-NTCAYCPXSA-N 1 2 313.351 4.185 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1F ZINC001144129325 1050479379 /nfs/dbraw/zinc/47/93/79/1050479379.db2.gz CZRHVXXJAAMWHB-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1F ZINC001144129325 1050479391 /nfs/dbraw/zinc/47/93/91/1050479391.db2.gz CZRHVXXJAAMWHB-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC[N@@H+](Cc1cnc(-c2ccc(C)c(C)c2)s1)C[C@H](C)C#N ZINC000594602943 1050534510 /nfs/dbraw/zinc/53/45/10/1050534510.db2.gz PJRDVOSXDKOUJO-CYBMUJFWSA-N 1 2 313.470 4.409 20 30 DIEDLO CC[N@H+](Cc1cnc(-c2ccc(C)c(C)c2)s1)C[C@H](C)C#N ZINC000594602943 1050534523 /nfs/dbraw/zinc/53/45/23/1050534523.db2.gz PJRDVOSXDKOUJO-CYBMUJFWSA-N 1 2 313.470 4.409 20 30 DIEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171167792 1050550140 /nfs/dbraw/zinc/55/01/40/1050550140.db2.gz YLQNFQGAUHMHCO-BXUZGUMPSA-N 1 2 309.240 4.086 20 30 DIEDLO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171167792 1050550157 /nfs/dbraw/zinc/55/01/57/1050550157.db2.gz YLQNFQGAUHMHCO-BXUZGUMPSA-N 1 2 309.240 4.086 20 30 DIEDLO N#Cc1c(F)c(F)cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1F ZINC001213091747 1050585309 /nfs/dbraw/zinc/58/53/09/1050585309.db2.gz JFKJCJRXMHHIKV-UHFFFAOYSA-N 1 2 314.270 4.109 20 30 DIEDLO CCCn1c2ccccc2nc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594995964 1050591074 /nfs/dbraw/zinc/59/10/74/1050591074.db2.gz WHQZMPMMTHVRRE-UHFFFAOYSA-N 1 2 310.445 4.010 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2nsc3ccccc32)C2CC2)cc1 ZINC000595296760 1050619406 /nfs/dbraw/zinc/61/94/06/1050619406.db2.gz JEBQTFSWJXOUNZ-UHFFFAOYSA-N 1 2 319.433 4.333 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2nsc3ccccc32)C2CC2)cc1 ZINC000595296760 1050619414 /nfs/dbraw/zinc/61/94/14/1050619414.db2.gz JEBQTFSWJXOUNZ-UHFFFAOYSA-N 1 2 319.433 4.333 20 30 DIEDLO CSc1ccc2c(c1)CC/C(=C\c1c[nH+]c3ccccn13)C2=O ZINC000740765243 1050625727 /nfs/dbraw/zinc/62/57/27/1050625727.db2.gz SYBOPGABRRPLNG-GXDHUFHOSA-N 1 2 320.417 4.269 20 30 DIEDLO CC[N@H+](CC/C=C/c1ccc(Br)cc1)[C@@H](C)C#N ZINC000595813403 1050668533 /nfs/dbraw/zinc/66/85/33/1050668533.db2.gz MHURDPNMWRWOCE-BPJJOFIESA-N 1 2 307.235 4.086 20 30 DIEDLO CC[N@@H+](CC/C=C/c1ccc(Br)cc1)[C@@H](C)C#N ZINC000595813403 1050668540 /nfs/dbraw/zinc/66/85/40/1050668540.db2.gz MHURDPNMWRWOCE-BPJJOFIESA-N 1 2 307.235 4.086 20 30 DIEDLO Cc1cc(C)c(Nc2cccc(C#N)c2Br)c[nH+]1 ZINC001213518607 1050679609 /nfs/dbraw/zinc/67/96/09/1050679609.db2.gz XXUPSYZCTIUTGT-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1ccc2cc(CNc3[nH+]cccc3OCCCC#N)[nH]c2c1 ZINC000596025331 1050680517 /nfs/dbraw/zinc/68/05/17/1050680517.db2.gz UNGZZXSWIIQMRU-UHFFFAOYSA-N 1 2 320.396 4.166 20 30 DIEDLO Cc1cc(C)c(Nc2ccccc2-c2ccc(C#N)cn2)c[nH+]1 ZINC001213521059 1050680557 /nfs/dbraw/zinc/68/05/57/1050680557.db2.gz QZBNDWFBNWIACS-UHFFFAOYSA-N 1 2 300.365 4.376 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2c[nH]c3c2cccc3C)c1 ZINC000741466267 1050682214 /nfs/dbraw/zinc/68/22/14/1050682214.db2.gz KPKNWHKNJMFUIE-MTJSOVHGSA-N 1 2 322.408 4.242 20 30 DIEDLO CCOc1cccc(/C=[NH+]/C[C@H](C)Cc2cccs2)c1O ZINC000741464310 1050682458 /nfs/dbraw/zinc/68/24/58/1050682458.db2.gz NQXOOPKOCCVWBZ-RNEAKCBISA-N 1 2 303.427 4.150 20 30 DIEDLO COc1ccc([C@H](C)CC/[NH+]=C\c2cc(OC)ccc2O)cc1 ZINC000741465562 1050682786 /nfs/dbraw/zinc/68/27/86/1050682786.db2.gz VPANAXWYYJOQDG-KELUXRKGSA-N 1 2 313.397 4.022 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3c[nH]c4cc(F)ccc43)c[nH+]c12 ZINC000741467300 1050682832 /nfs/dbraw/zinc/68/28/32/1050682832.db2.gz MJIZDVFKQCRENB-FNORWQNLSA-N 1 2 319.339 4.159 20 30 DIEDLO CCOc1ccc(/C=[NH+]\CCc2c[nH]c3c2cccc3C)c(O)c1 ZINC000741466354 1050683335 /nfs/dbraw/zinc/68/33/35/1050683335.db2.gz NYCXBRFRVVGNEJ-MTJSOVHGSA-N 1 2 322.408 4.242 20 30 DIEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C\c1c[nH+]c2c(C)cccn12 ZINC000741468944 1050684191 /nfs/dbraw/zinc/68/41/91/1050684191.db2.gz YAQXBVBWFZECQL-KTKRTIGZSA-N 1 2 315.376 4.329 20 30 DIEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C/c1c[nH+]c2c(C)cccn12 ZINC000741468946 1050684469 /nfs/dbraw/zinc/68/44/69/1050684469.db2.gz YAQXBVBWFZECQL-MDZDMXLPSA-N 1 2 315.376 4.329 20 30 DIEDLO C=CCCCCCCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001144797520 1050717186 /nfs/dbraw/zinc/71/71/86/1050717186.db2.gz BVSOJWLDVWMCMU-UHFFFAOYSA-N 1 2 317.477 4.423 20 30 DIEDLO C=CCCCCCCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001144797520 1050717199 /nfs/dbraw/zinc/71/71/99/1050717199.db2.gz BVSOJWLDVWMCMU-UHFFFAOYSA-N 1 2 317.477 4.423 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1c[nH]c2ccccc12 ZINC000737445186 1050735446 /nfs/dbraw/zinc/73/54/46/1050735446.db2.gz XRCRGJZORRGIMB-VOTSOKGWSA-N 1 2 321.767 4.365 20 30 DIEDLO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC000597176986 1050822216 /nfs/dbraw/zinc/82/22/16/1050822216.db2.gz LCHOHAKVFYDART-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC000597176986 1050822232 /nfs/dbraw/zinc/82/22/32/1050822232.db2.gz LCHOHAKVFYDART-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000597230934 1050826456 /nfs/dbraw/zinc/82/64/56/1050826456.db2.gz VBXQQOPJQAOPGU-HXUWFJFHSA-N 1 2 324.399 4.140 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000597230934 1050826475 /nfs/dbraw/zinc/82/64/75/1050826475.db2.gz VBXQQOPJQAOPGU-HXUWFJFHSA-N 1 2 324.399 4.140 20 30 DIEDLO C=CC[C@H](C)[C@H](C)[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000790500257 1050965610 /nfs/dbraw/zinc/96/56/10/1050965610.db2.gz ORVDXKJNMZPXFC-NXOAAHMSSA-N 1 2 302.462 4.313 20 30 DIEDLO CC[NH+](CC)c1ccc(C)c(NCCOc2ccc(C#N)cc2)c1 ZINC001171484980 1051143716 /nfs/dbraw/zinc/14/37/16/1051143716.db2.gz ZPDJSCTYXWQJCS-UHFFFAOYSA-N 1 2 323.440 4.204 20 30 DIEDLO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001172506425 1051424275 /nfs/dbraw/zinc/42/42/75/1051424275.db2.gz UBRUAHNGHRHDGE-RDJZCZTQSA-N 1 2 306.400 4.269 20 30 DIEDLO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001172506425 1051424279 /nfs/dbraw/zinc/42/42/79/1051424279.db2.gz UBRUAHNGHRHDGE-RDJZCZTQSA-N 1 2 306.400 4.269 20 30 DIEDLO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2C(F)F)cc1 ZINC001168934442 1051470675 /nfs/dbraw/zinc/47/06/75/1051470675.db2.gz XNGSCAFXXUJJHT-SFHVURJKSA-N 1 2 312.363 4.455 20 30 DIEDLO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2C(F)F)cc1 ZINC001168934442 1051470679 /nfs/dbraw/zinc/47/06/79/1051470679.db2.gz XNGSCAFXXUJJHT-SFHVURJKSA-N 1 2 312.363 4.455 20 30 DIEDLO Cc1cc(C#N)cc(C)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212696971 1051587969 /nfs/dbraw/zinc/58/79/69/1051587969.db2.gz YBUWDLDMQNOFEJ-UHFFFAOYSA-N 1 2 302.381 4.164 20 30 DIEDLO Cc1cc(C)c(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC001212699935 1051587988 /nfs/dbraw/zinc/58/79/88/1051587988.db2.gz KVXMLKCWWAPHRK-UHFFFAOYSA-N 1 2 302.381 4.164 20 30 DIEDLO Cc1cccc2c1[C@H](C)/C(=C\c1c[nH+]c3cccc(C)n13)C2=O ZINC000766694329 1051611258 /nfs/dbraw/zinc/61/12/58/1051611258.db2.gz DANUPQHHFCMRHG-NGWPFTMJSA-N 1 2 302.377 4.335 20 30 DIEDLO O=C1C=C2C[N@H+](C3CCC4(CCCCC4)CC3)CC[C@H]2S1 ZINC001173116330 1051613366 /nfs/dbraw/zinc/61/33/66/1051613366.db2.gz MANGALGQFSUDKP-MRXNPFEDSA-N 1 2 305.487 4.154 20 30 DIEDLO O=C1C=C2C[N@@H+](C3CCC4(CCCCC4)CC3)CC[C@H]2S1 ZINC001173116330 1051613371 /nfs/dbraw/zinc/61/33/71/1051613371.db2.gz MANGALGQFSUDKP-MRXNPFEDSA-N 1 2 305.487 4.154 20 30 DIEDLO CCCCCCCCC/C=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804331801 1051654172 /nfs/dbraw/zinc/65/41/72/1051654172.db2.gz DDCGGZUGEDQVBX-MQNTZWLQSA-N 1 2 317.477 4.011 20 30 DIEDLO CCc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1C#N ZINC001216314584 1051692541 /nfs/dbraw/zinc/69/25/41/1051692541.db2.gz HCQKOQIPIVZMTI-UHFFFAOYSA-N 1 2 302.381 4.109 20 30 DIEDLO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(Cl)c1O ZINC000806131256 1051733738 /nfs/dbraw/zinc/73/37/38/1051733738.db2.gz HOEJTZGFPHRLKT-MRXNPFEDSA-N 1 2 300.789 4.158 20 30 DIEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000185560222 1051774236 /nfs/dbraw/zinc/77/42/36/1051774236.db2.gz ZRRKPWWCYKMJOX-GFCCVEGCSA-N 1 2 303.793 4.067 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(-c2cccs2)s1 ZINC000768153376 1051889326 /nfs/dbraw/zinc/88/93/26/1051889326.db2.gz FLWOUCMDWIIYQB-UHFFFAOYSA-N 1 2 305.472 4.243 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(-c2cccs2)s1 ZINC000768153376 1051889335 /nfs/dbraw/zinc/88/93/35/1051889335.db2.gz FLWOUCMDWIIYQB-UHFFFAOYSA-N 1 2 305.472 4.243 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1ccccc1OCc1cccnc1 ZINC000768153355 1051889493 /nfs/dbraw/zinc/88/94/93/1051889493.db2.gz DVVQVOWZSDOWSB-UHFFFAOYSA-N 1 2 323.440 4.032 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccccc1OCc1cccnc1 ZINC000768153355 1051889499 /nfs/dbraw/zinc/88/94/99/1051889499.db2.gz DVVQVOWZSDOWSB-UHFFFAOYSA-N 1 2 323.440 4.032 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(-c2ccncc2)cc1F ZINC000768154942 1051890405 /nfs/dbraw/zinc/89/04/05/1051890405.db2.gz UUWXVSWFSDRJBS-UHFFFAOYSA-N 1 2 311.404 4.259 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(-c2ccncc2)cc1F ZINC000768154942 1051890409 /nfs/dbraw/zinc/89/04/09/1051890409.db2.gz UUWXVSWFSDRJBS-UHFFFAOYSA-N 1 2 311.404 4.259 20 30 DIEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccccc1Br ZINC000405161004 1051948646 /nfs/dbraw/zinc/94/86/46/1051948646.db2.gz OYCJDNJUNYARRY-GFCCVEGCSA-N 1 2 307.235 4.184 20 30 DIEDLO C=CC[N@@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000494629484 1051992910 /nfs/dbraw/zinc/99/29/10/1051992910.db2.gz HJIGROYDZFBQSP-UHFFFAOYSA-N 1 2 323.259 4.190 20 30 DIEDLO C=CC[N@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000494629484 1051992920 /nfs/dbraw/zinc/99/29/20/1051992920.db2.gz HJIGROYDZFBQSP-UHFFFAOYSA-N 1 2 323.259 4.190 20 30 DIEDLO C[C@@H]1Sc2sccc2C(=O)/C1=C/c1cccc2[nH+]ccn21 ZINC000769608313 1052087051 /nfs/dbraw/zinc/08/70/51/1052087051.db2.gz AIACMIGCBMBADX-YWEFTTLKSA-N 1 2 312.419 4.156 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(-c2ccccc2)o1 ZINC000769610006 1052087404 /nfs/dbraw/zinc/08/74/04/1052087404.db2.gz LAIBIVJXQFMSLN-MDZDMXLPSA-N 1 2 314.344 4.490 20 30 DIEDLO O=C1c2cc(Cl)ccc2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000769615879 1052088479 /nfs/dbraw/zinc/08/84/79/1052088479.db2.gz SSKSPKPNJWNADX-JLHYYAGUSA-N 1 2 308.768 4.200 20 30 DIEDLO Cc1ccc(C)c2c1CC/C(=C/c1c[nH+]c3ccccn13)C2=O ZINC000769746303 1052107130 /nfs/dbraw/zinc/10/71/30/1052107130.db2.gz HICHCRYGRHONLE-PTNGSMBKSA-N 1 2 302.377 4.164 20 30 DIEDLO COc1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c(C#N)c1 ZINC001174380957 1052139275 /nfs/dbraw/zinc/13/92/75/1052139275.db2.gz BZUFYXCTSPRKQK-UHFFFAOYSA-N 1 2 306.369 4.241 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3/Cc4ccc(Cl)cc4C3=O)n21 ZINC000762445930 1052383578 /nfs/dbraw/zinc/38/35/78/1052383578.db2.gz BGEBKLJJZNSKCD-JYRVWZFOSA-N 1 2 308.768 4.119 20 30 DIEDLO CC(C)c1[nH+]c(/C=C/C(=O)c2ccc(O)c(F)c2)c2ccccn21 ZINC000762605757 1052407437 /nfs/dbraw/zinc/40/74/37/1052407437.db2.gz YUWGYZYMWMWFKK-VQHVLOKHSA-N 1 2 324.355 4.199 20 30 DIEDLO COc1ccc(O)c(/C=[NH+]/CCc2csc3ccccc23)c1 ZINC000915980983 1052572975 /nfs/dbraw/zinc/57/29/75/1052572975.db2.gz IZXQRSIVHAUPRL-YBFXNURJSA-N 1 2 311.406 4.277 20 30 DIEDLO N#Cc1cccc(N[NH+]=Cc2c(Cl)cccc2N2CCCC2)c1 ZINC000763354178 1052591311 /nfs/dbraw/zinc/59/13/11/1052591311.db2.gz NHVPGWBBIGYDAJ-UHFFFAOYSA-N 1 2 324.815 4.258 20 30 DIEDLO C#CC[N@H+](Cc1ccn(C2CCCC2)n1)[C@@H]1CCc2ccccc21 ZINC000763397445 1052623162 /nfs/dbraw/zinc/62/31/62/1052623162.db2.gz LURSLRNQVYXJMM-OAQYLSRUSA-N 1 2 319.452 4.121 20 30 DIEDLO C#CC[N@@H+](Cc1ccn(C2CCCC2)n1)[C@@H]1CCc2ccccc21 ZINC000763397445 1052623167 /nfs/dbraw/zinc/62/31/67/1052623167.db2.gz LURSLRNQVYXJMM-OAQYLSRUSA-N 1 2 319.452 4.121 20 30 DIEDLO CCC[C@@H](C#Cc1ccccc1)OCCCCC(=[NH2+])OCC ZINC001224967454 1052739034 /nfs/dbraw/zinc/73/90/34/1052739034.db2.gz VOVRYGQFEAYKOV-SFHVURJKSA-N 1 2 301.430 4.407 20 30 DIEDLO C=C(Br)C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000920206483 1052926816 /nfs/dbraw/zinc/92/68/16/1052926816.db2.gz JLEJSIQSUBBBMA-UHFFFAOYSA-N 1 2 324.262 4.055 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]\CCCn2ccc3ccccc32)c1 ZINC000920944855 1052956052 /nfs/dbraw/zinc/95/60/52/1052956052.db2.gz SIZDDOTVWJVCRK-QNGOZBTKSA-N 1 2 322.408 4.255 20 30 DIEDLO CC(=[NH+]Nc1cccc(Cl)c1F)c1ccc(N(C)C)cc1 ZINC000921137567 1052962762 /nfs/dbraw/zinc/96/27/62/1052962762.db2.gz CWJFETYHALWQHY-UHFFFAOYSA-N 1 2 305.784 4.381 20 30 DIEDLO C=CC(C=C)Oc1cccc(C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC001228103623 1053043894 /nfs/dbraw/zinc/04/38/94/1053043894.db2.gz LXCUVFIRVKWSQU-UHFFFAOYSA-N 1 2 321.420 4.121 20 30 DIEDLO C=CC(C=C)Oc1cccc(C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC001228103623 1053043898 /nfs/dbraw/zinc/04/38/98/1053043898.db2.gz LXCUVFIRVKWSQU-UHFFFAOYSA-N 1 2 321.420 4.121 20 30 DIEDLO C=C(C)C(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001351766633 1053220422 /nfs/dbraw/zinc/22/04/22/1053220422.db2.gz SLPJJVWRNCMYRC-UHFFFAOYSA-N 1 2 303.793 4.067 20 30 DIEDLO Cc1cc(NCc2cc(C#N)cs2)[nH+]c(C)c1Br ZINC001320085685 1053301282 /nfs/dbraw/zinc/30/12/82/1053301282.db2.gz ZUISMIQXBKUGPZ-UHFFFAOYSA-N 1 2 322.231 4.006 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000093091120 1053362503 /nfs/dbraw/zinc/36/25/03/1053362503.db2.gz FJTSCOGMFQSOFF-SECBINFHSA-N 1 2 324.268 4.458 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000093091120 1053362510 /nfs/dbraw/zinc/36/25/10/1053362510.db2.gz FJTSCOGMFQSOFF-SECBINFHSA-N 1 2 324.268 4.458 20 30 DIEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSCc1cccc(C#N)c1 ZINC001321024062 1053381926 /nfs/dbraw/zinc/38/19/26/1053381926.db2.gz MBAGFWOLIZVUFK-UHFFFAOYSA-N 1 2 319.433 4.486 20 30 DIEDLO C=C[C@]1(C)CC[C@H](Oc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)O1 ZINC001229954301 1053438311 /nfs/dbraw/zinc/43/83/11/1053438311.db2.gz MRRSWUPZCVURLM-PKOBYXMFSA-N 1 2 312.413 4.153 20 30 DIEDLO C=C[C@@]1(C)CC[C@H](Oc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)O1 ZINC001229954298 1053438915 /nfs/dbraw/zinc/43/89/15/1053438915.db2.gz MRRSWUPZCVURLM-HKUYNNGSSA-N 1 2 312.413 4.153 20 30 DIEDLO C=C[C@@]1(C)CC[C@@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)C(C)(C)O1 ZINC001231081242 1053669457 /nfs/dbraw/zinc/66/94/57/1053669457.db2.gz KAQLJUQDNIEAMO-APWZRJJASA-N 1 2 312.413 4.358 20 30 DIEDLO Cc1cc2cc(C(=O)/C=C/c3ccc[nH+]c3N(C)C)oc2cc1C ZINC001324705495 1053673650 /nfs/dbraw/zinc/67/36/50/1053673650.db2.gz CGOXWHVQMMXJPE-BQYQJAHWSA-N 1 2 320.392 4.407 20 30 DIEDLO Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001231850428 1053892396 /nfs/dbraw/zinc/89/23/96/1053892396.db2.gz MGGKVSRDSBNCKT-IBGZPJMESA-N 1 2 320.436 4.310 20 30 DIEDLO Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001231850428 1053892409 /nfs/dbraw/zinc/89/24/09/1053892409.db2.gz MGGKVSRDSBNCKT-IBGZPJMESA-N 1 2 320.436 4.310 20 30 DIEDLO C=CCC[N@H+](Cc1ccccc1)Cc1c(F)nccc1Cl ZINC001232615007 1054082771 /nfs/dbraw/zinc/08/27/71/1054082771.db2.gz BDXZUEJPDXNNIC-UHFFFAOYSA-N 1 2 304.796 4.452 20 30 DIEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1c(F)nccc1Cl ZINC001232615007 1054082782 /nfs/dbraw/zinc/08/27/82/1054082782.db2.gz BDXZUEJPDXNNIC-UHFFFAOYSA-N 1 2 304.796 4.452 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC001232609418 1054082901 /nfs/dbraw/zinc/08/29/01/1054082901.db2.gz DBFHIARBQOMPKE-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC001232609418 1054082918 /nfs/dbraw/zinc/08/29/18/1054082918.db2.gz DBFHIARBQOMPKE-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232677751 1054098290 /nfs/dbraw/zinc/09/82/90/1054098290.db2.gz JHLIUJCHTOXDNM-GFCCVEGCSA-N 1 2 300.789 4.110 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232677751 1054098302 /nfs/dbraw/zinc/09/83/02/1054098302.db2.gz JHLIUJCHTOXDNM-GFCCVEGCSA-N 1 2 300.789 4.110 20 30 DIEDLO C=CC[N@H+](Cc1cnc(Cl)cc1Br)C(C)(C)C ZINC001232688153 1054102029 /nfs/dbraw/zinc/10/20/29/1054102029.db2.gz MFCZIISXQFZUNW-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO C=CC[N@@H+](Cc1cnc(Cl)cc1Br)C(C)(C)C ZINC001232688153 1054102035 /nfs/dbraw/zinc/10/20/35/1054102035.db2.gz MFCZIISXQFZUNW-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)n1 ZINC001232924588 1054150765 /nfs/dbraw/zinc/15/07/65/1054150765.db2.gz MDLGMVXETROKGS-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)n1 ZINC001232924588 1054150770 /nfs/dbraw/zinc/15/07/70/1054150770.db2.gz MDLGMVXETROKGS-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO CC[N@H+](Cc1cccc(C#N)n1)Cc1ccc(Cl)cc1Cl ZINC001232926588 1054150917 /nfs/dbraw/zinc/15/09/17/1054150917.db2.gz VCGLHUDBXNVJGZ-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO CC[N@@H+](Cc1cccc(C#N)n1)Cc1ccc(Cl)cc1Cl ZINC001232926588 1054150926 /nfs/dbraw/zinc/15/09/26/1054150926.db2.gz VCGLHUDBXNVJGZ-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO N#CCC[N@@H+](Cc1cc(O)c(F)c(F)c1)C1CCCCCCC1 ZINC001232972219 1054163220 /nfs/dbraw/zinc/16/32/20/1054163220.db2.gz WYTDXVJAJGKEBU-UHFFFAOYSA-N 1 2 322.399 4.499 20 30 DIEDLO N#CCC[N@H+](Cc1cc(O)c(F)c(F)c1)C1CCCCCCC1 ZINC001232972219 1054163222 /nfs/dbraw/zinc/16/32/22/1054163222.db2.gz WYTDXVJAJGKEBU-UHFFFAOYSA-N 1 2 322.399 4.499 20 30 DIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC(C)(C)C1(C)C ZINC001334727380 1054195460 /nfs/dbraw/zinc/19/54/60/1054195460.db2.gz GCHRPVOCVZSJKF-UHFFFAOYSA-N 1 2 318.486 4.024 20 30 DIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC(C)(C)C1(C)C ZINC001334727380 1054195470 /nfs/dbraw/zinc/19/54/70/1054195470.db2.gz GCHRPVOCVZSJKF-UHFFFAOYSA-N 1 2 318.486 4.024 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1F ZINC001233213726 1054203460 /nfs/dbraw/zinc/20/34/60/1054203460.db2.gz OMTWTSMKPGNKJU-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1F ZINC001233213726 1054203465 /nfs/dbraw/zinc/20/34/65/1054203465.db2.gz OMTWTSMKPGNKJU-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO Fc1ccc(N[NH+]=Cc2ccccc2N2CCCC2)c(F)c1 ZINC001337253200 1054262502 /nfs/dbraw/zinc/26/25/02/1054262502.db2.gz PGYLLSQTGFRJDX-UHFFFAOYSA-N 1 2 301.340 4.011 20 30 DIEDLO C=CC[N@@H+](Cc1cn2cccc(Cl)c2n1)Cc1ccccc1 ZINC001233423611 1054266279 /nfs/dbraw/zinc/26/62/79/1054266279.db2.gz DDEVRUPVJBLIAI-UHFFFAOYSA-N 1 2 311.816 4.176 20 30 DIEDLO C=CC[N@H+](Cc1cn2cccc(Cl)c2n1)Cc1ccccc1 ZINC001233423611 1054266287 /nfs/dbraw/zinc/26/62/87/1054266287.db2.gz DDEVRUPVJBLIAI-UHFFFAOYSA-N 1 2 311.816 4.176 20 30 DIEDLO CN(C)c1cccc(Cl)c1C=[NH+]Nc1cccc2cnccc21 ZINC001338655711 1054312056 /nfs/dbraw/zinc/31/20/56/1054312056.db2.gz IFNNMRHMYRLWRA-UHFFFAOYSA-N 1 2 324.815 4.400 20 30 DIEDLO C=C[C@@H](CC)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001357127827 1054421931 /nfs/dbraw/zinc/42/19/31/1054421931.db2.gz BQEVUXAHHOBTNG-HNNXBMFYSA-N 1 2 323.440 4.427 20 30 DIEDLO C=CCN(CC1CCCCC1)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001443932853 1054462606 /nfs/dbraw/zinc/46/26/06/1054462606.db2.gz ITCMBRNMQNUIGK-SFHVURJKSA-N 1 2 317.477 4.065 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001234431679 1054521867 /nfs/dbraw/zinc/52/18/67/1054521867.db2.gz UWMXLXLJUNCEGV-LLVKDONJSA-N 1 2 314.763 4.067 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001234431679 1054521878 /nfs/dbraw/zinc/52/18/78/1054521878.db2.gz UWMXLXLJUNCEGV-LLVKDONJSA-N 1 2 314.763 4.067 20 30 DIEDLO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc(C(=[NH2+])OCC)cc2)O1 ZINC001234587620 1054550597 /nfs/dbraw/zinc/55/05/97/1054550597.db2.gz CHJCTDLIBKZOJY-QFBILLFUSA-N 1 2 317.429 4.330 20 30 DIEDLO C=CCCC[C@H](C(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC001358142483 1054608736 /nfs/dbraw/zinc/60/87/36/1054608736.db2.gz YANNXKPEKLRQPT-SFHVURJKSA-N 1 2 308.425 4.199 20 30 DIEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000183821468 1055058501 /nfs/dbraw/zinc/05/85/01/1055058501.db2.gz YSZYHFVYNSBPMZ-NSHDSACASA-N 1 2 308.303 4.215 20 30 DIEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)c(Cl)cc1Cl ZINC000194076880 1055114874 /nfs/dbraw/zinc/11/48/74/1055114874.db2.gz WZZTYFMMZKNCCQ-VHSXEESVSA-N 1 2 314.191 4.227 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cc4c(s3)CCC4)n21 ZINC000764431826 1055184001 /nfs/dbraw/zinc/18/40/01/1055184001.db2.gz GHMKPNQQCKVHPQ-HJWRWDBZSA-N 1 2 308.406 4.089 20 30 DIEDLO CC(=[NH+]OCC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000764846262 1055276889 /nfs/dbraw/zinc/27/68/89/1055276889.db2.gz FTKRTQVBVSTGJZ-UHFFFAOYSA-N 1 2 318.314 4.119 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cc2ccccc2cc1O ZINC001236835014 1055283181 /nfs/dbraw/zinc/28/31/81/1055283181.db2.gz DABWMQSCSBZHHG-UHFFFAOYSA-N 1 2 316.404 4.461 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cc2ccccc2cc1O ZINC001236835014 1055283188 /nfs/dbraw/zinc/28/31/88/1055283188.db2.gz DABWMQSCSBZHHG-UHFFFAOYSA-N 1 2 316.404 4.461 20 30 DIEDLO CC(C)(C)Oc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000764921351 1055294216 /nfs/dbraw/zinc/29/42/16/1055294216.db2.gz SMICGVBNZQUKOB-FMIVXFBMSA-N 1 2 320.392 4.408 20 30 DIEDLO Cn1cc(C[N@@H+]2Cc3cccc(Cl)c3C2)c2cc(C#N)ccc21 ZINC001237473483 1055457791 /nfs/dbraw/zinc/45/77/91/1055457791.db2.gz LEPIFPTVFHXKMR-UHFFFAOYSA-N 1 2 321.811 4.219 20 30 DIEDLO Cn1cc(C[N@H+]2Cc3cccc(Cl)c3C2)c2cc(C#N)ccc21 ZINC001237473483 1055457798 /nfs/dbraw/zinc/45/77/98/1055457798.db2.gz LEPIFPTVFHXKMR-UHFFFAOYSA-N 1 2 321.811 4.219 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c(F)cc1F ZINC001237534042 1055469849 /nfs/dbraw/zinc/46/98/49/1055469849.db2.gz MQCIIBZLBXTFNA-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c(F)cc1F ZINC001237534042 1055469854 /nfs/dbraw/zinc/46/98/54/1055469854.db2.gz MQCIIBZLBXTFNA-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001237667224 1055501064 /nfs/dbraw/zinc/50/10/64/1055501064.db2.gz PHZXKUXQTANVAH-UHFFFAOYSA-N 1 2 300.352 4.367 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001237667224 1055501076 /nfs/dbraw/zinc/50/10/76/1055501076.db2.gz PHZXKUXQTANVAH-UHFFFAOYSA-N 1 2 300.352 4.367 20 30 DIEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCSc3ccccc3C2)c1 ZINC001237753563 1055521571 /nfs/dbraw/zinc/52/15/71/1055521571.db2.gz FZTZWCWFWPEFFB-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCSc3ccccc3C2)c1 ZINC001237753563 1055521585 /nfs/dbraw/zinc/52/15/85/1055521585.db2.gz FZTZWCWFWPEFFB-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO CCCOc1cc(F)ccc1C[N@H+](CCC#N)C1CCCC1 ZINC001237904160 1055555478 /nfs/dbraw/zinc/55/54/78/1055555478.db2.gz GQEUZFWJLYBLAE-UHFFFAOYSA-N 1 2 304.409 4.273 20 30 DIEDLO CCCOc1cc(F)ccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001237904160 1055555488 /nfs/dbraw/zinc/55/54/88/1055555488.db2.gz GQEUZFWJLYBLAE-UHFFFAOYSA-N 1 2 304.409 4.273 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cccc(OCC2CCCCC2)c1 ZINC001238067676 1055601069 /nfs/dbraw/zinc/60/10/69/1055601069.db2.gz JKYGVIXTSAMDIA-UHFFFAOYSA-N 1 2 300.446 4.381 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cccc(OCC2CCCCC2)c1 ZINC001238067676 1055601071 /nfs/dbraw/zinc/60/10/71/1055601071.db2.gz JKYGVIXTSAMDIA-UHFFFAOYSA-N 1 2 300.446 4.381 20 30 DIEDLO C=CCCCC[N@@H+](C)Cc1c(F)c(O)ccc1Br ZINC001238315121 1055639192 /nfs/dbraw/zinc/63/91/92/1055639192.db2.gz VRNGCILIRKNXQJ-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO C=CCCCC[N@H+](C)Cc1c(F)c(O)ccc1Br ZINC001238315121 1055639201 /nfs/dbraw/zinc/63/92/01/1055639201.db2.gz VRNGCILIRKNXQJ-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(OCc2ccccc2)c1 ZINC001238345472 1055643860 /nfs/dbraw/zinc/64/38/60/1055643860.db2.gz QZEKXYLJMAGISB-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(OCc2ccccc2)c1 ZINC001238345472 1055643869 /nfs/dbraw/zinc/64/38/69/1055643869.db2.gz QZEKXYLJMAGISB-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001238539817 1055682076 /nfs/dbraw/zinc/68/20/76/1055682076.db2.gz RBFJJFWTLUYBJU-CQSZACIVSA-N 1 2 311.816 4.056 20 30 DIEDLO Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CC[C@H](C#N)C1 ZINC001238539817 1055682080 /nfs/dbraw/zinc/68/20/80/1055682080.db2.gz RBFJJFWTLUYBJU-CQSZACIVSA-N 1 2 311.816 4.056 20 30 DIEDLO Cc1cc(-c2ccc(C(F)(F)F)cc2C#N)cn2cc[nH+]c12 ZINC001238842786 1055762916 /nfs/dbraw/zinc/76/29/16/1055762916.db2.gz ODRZITINRFCVKI-UHFFFAOYSA-N 1 2 301.271 4.200 20 30 DIEDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1cc(C#N)nc(C)n1 ZINC001612135577 1056245835 /nfs/dbraw/zinc/24/58/35/1056245835.db2.gz KFNQLWIZGJYGIV-CQSZACIVSA-N 1 2 321.428 4.088 20 30 DIEDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1cc(C#N)nc(C)n1 ZINC001612135577 1056245850 /nfs/dbraw/zinc/24/58/50/1056245850.db2.gz KFNQLWIZGJYGIV-CQSZACIVSA-N 1 2 321.428 4.088 20 30 DIEDLO Cc1cc(Nc2ccc(C#N)c(C)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC001612184077 1056251066 /nfs/dbraw/zinc/25/10/66/1056251066.db2.gz LLTLCOVCGDEKET-AWEZNQCLSA-N 1 2 321.428 4.088 20 30 DIEDLO C#C[C@H](Nc1cc(C)[nH+]c(C2CCC2)n1)c1ccc(Cl)cc1 ZINC001612454042 1056291364 /nfs/dbraw/zinc/29/13/64/1056291364.db2.gz LNSZWIGZPNIZQG-INIZCTEOSA-N 1 2 311.816 4.492 20 30 DIEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1c1cccs1 ZINC000553991729 1056338216 /nfs/dbraw/zinc/33/82/16/1056338216.db2.gz UUPJIBUNTNRGRY-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1c1cccs1 ZINC000553991729 1056338232 /nfs/dbraw/zinc/33/82/32/1056338232.db2.gz UUPJIBUNTNRGRY-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO C#CC[N@H+](Cc1nsc2ccccc21)[C@@H]1CCc2ccccc21 ZINC001615264974 1056485176 /nfs/dbraw/zinc/48/51/76/1056485176.db2.gz KECLAIACRIQXEN-LJQANCHMSA-N 1 2 318.445 4.419 20 30 DIEDLO C#CC[N@@H+](Cc1nsc2ccccc21)[C@@H]1CCc2ccccc21 ZINC001615264974 1056485178 /nfs/dbraw/zinc/48/51/78/1056485178.db2.gz KECLAIACRIQXEN-LJQANCHMSA-N 1 2 318.445 4.419 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1Cl ZINC001615366865 1056499386 /nfs/dbraw/zinc/49/93/86/1056499386.db2.gz MGCPYOIEIFCCBF-UHFFFAOYSA-N 1 2 301.792 4.423 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1Cl ZINC001615366865 1056499390 /nfs/dbraw/zinc/49/93/90/1056499390.db2.gz MGCPYOIEIFCCBF-UHFFFAOYSA-N 1 2 301.792 4.423 20 30 DIEDLO N#CCc1cc(C(F)(F)F)ccc1-c1ccn2cc[nH+]c2c1 ZINC001240511160 1056544363 /nfs/dbraw/zinc/54/43/63/1056544363.db2.gz AKNZTPCHMZAYHK-UHFFFAOYSA-N 1 2 301.271 4.086 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC001616898856 1056735815 /nfs/dbraw/zinc/73/58/15/1056735815.db2.gz LAQDKSSNKDIJQN-AWEZNQCLSA-N 1 2 313.832 4.207 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC001616898856 1056735825 /nfs/dbraw/zinc/73/58/25/1056735825.db2.gz LAQDKSSNKDIJQN-AWEZNQCLSA-N 1 2 313.832 4.207 20 30 DIEDLO F[C@@]1(c2ccccc2)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001617531692 1056844484 /nfs/dbraw/zinc/84/44/84/1056844484.db2.gz BRWMNHCLJJEIDC-IBGZPJMESA-N 1 2 313.803 4.262 20 30 DIEDLO F[C@@]1(c2ccccc2)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001617531692 1056844490 /nfs/dbraw/zinc/84/44/90/1056844490.db2.gz BRWMNHCLJJEIDC-IBGZPJMESA-N 1 2 313.803 4.262 20 30 DIEDLO C=CCCC[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715768612 1056970012 /nfs/dbraw/zinc/97/00/12/1056970012.db2.gz FLFKUTXBNXRQKJ-SNVBAGLBSA-N 1 2 316.214 4.128 20 30 DIEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000174371391 1057359363 /nfs/dbraw/zinc/35/93/63/1057359363.db2.gz ANMCDVXXATUXJO-HXUWFJFHSA-N 1 2 318.376 4.039 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1nc(-c2ccccc2)cs1 ZINC000174369176 1057359477 /nfs/dbraw/zinc/35/94/77/1057359477.db2.gz XRCQASMGBJEJOO-LBPRGKRZSA-N 1 2 309.394 4.126 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1nc(-c2ccccc2)cs1 ZINC000174369189 1057359748 /nfs/dbraw/zinc/35/97/48/1057359748.db2.gz XRCQASMGBJEJOO-GFCCVEGCSA-N 1 2 309.394 4.126 20 30 DIEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000174371405 1057359775 /nfs/dbraw/zinc/35/97/75/1057359775.db2.gz ANMCDVXXATUXJO-FQEVSTJZSA-N 1 2 318.376 4.039 20 30 DIEDLO C[N@H+](Cc1nccs1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000175102083 1057381023 /nfs/dbraw/zinc/38/10/23/1057381023.db2.gz LJXISYPMYXCFMK-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO C[N@@H+](Cc1nccs1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000175102083 1057381030 /nfs/dbraw/zinc/38/10/30/1057381030.db2.gz LJXISYPMYXCFMK-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000611253912 1057585979 /nfs/dbraw/zinc/58/59/79/1057585979.db2.gz TXAVFRQRGUJRDR-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000611253912 1057585984 /nfs/dbraw/zinc/58/59/84/1057585984.db2.gz TXAVFRQRGUJRDR-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO N#Cc1cc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)ccn1 ZINC000611404858 1057597465 /nfs/dbraw/zinc/59/74/65/1057597465.db2.gz UORLGDUSSWWILA-UHFFFAOYSA-N 1 2 318.207 4.039 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(C3(C#N)CC3)cc2)cc1C#N ZINC001243421890 1057678902 /nfs/dbraw/zinc/67/89/02/1057678902.db2.gz ANAUMGGXOQHPAS-OEAKJJBVSA-N 1 2 314.392 4.002 20 30 DIEDLO CSc1cc(F)cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001243561028 1057714220 /nfs/dbraw/zinc/71/42/20/1057714220.db2.gz CIVVUVDPVGQGCI-RGVLZGJSSA-N 1 2 313.401 4.308 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]/CCCc2c[nH]c3ccccc23)c1 ZINC000730732716 1057722761 /nfs/dbraw/zinc/72/27/61/1057722761.db2.gz NZEKOGZGMBZFEC-FYJGNVAPSA-N 1 2 322.408 4.324 20 30 DIEDLO Cc1cccc(COc2ccc(C(=O)/C=C/c3[nH]cc[nH+]3)cc2)c1 ZINC000731159700 1057736803 /nfs/dbraw/zinc/73/68/03/1057736803.db2.gz VIQDOTQJSZRJML-MDZDMXLPSA-N 1 2 318.376 4.193 20 30 DIEDLO CC(C)(C)c1ccc(C#N)c(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001243656505 1057745469 /nfs/dbraw/zinc/74/54/69/1057745469.db2.gz KKFPWMFKAFDWRV-UHFFFAOYSA-N 1 2 316.408 4.163 20 30 DIEDLO N#Cc1cnc(-c2ccc(Cn3cc[nH+]c3)cc2)c2sccc21 ZINC001243657939 1057746124 /nfs/dbraw/zinc/74/61/24/1057746124.db2.gz BGAMPKAXGQICKU-UHFFFAOYSA-N 1 2 316.389 4.080 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccccc2N2CCCC2)cc1C#N ZINC001244181534 1057893516 /nfs/dbraw/zinc/89/35/16/1057893516.db2.gz BGQOAMDNEDINFH-PXLXIMEGSA-N 1 2 318.424 4.047 20 30 DIEDLO C[NH+](C)Cc1c(F)cc(-c2ccc(C#N)cc2Cl)cc1F ZINC001244331851 1057936021 /nfs/dbraw/zinc/93/60/21/1057936021.db2.gz VPNIUDGEICRDHZ-UHFFFAOYSA-N 1 2 306.743 4.218 20 30 DIEDLO COc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1C1CC1 ZINC001244894817 1058067654 /nfs/dbraw/zinc/06/76/54/1058067654.db2.gz VQIJCVIJSQWEME-LPYMAVHISA-N 1 2 319.408 4.333 20 30 DIEDLO N#Cc1cnc2cc(-c3c[nH+]cn3Cc3ccccc3)ccc2c1 ZINC001245199568 1058126794 /nfs/dbraw/zinc/12/67/94/1058126794.db2.gz WIMJDCVXKRUCKF-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO COc1cc(C)c(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(C)c1 ZINC001245680512 1058343589 /nfs/dbraw/zinc/34/35/89/1058343589.db2.gz HNSMUDUTMGHWRC-CIAFOILYSA-N 1 2 307.397 4.072 20 30 DIEDLO CCc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1OC ZINC001245792786 1058475528 /nfs/dbraw/zinc/47/55/28/1058475528.db2.gz OQEUCHRDDVVKMY-FYJGNVAPSA-N 1 2 307.397 4.018 20 30 DIEDLO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001559521944 1059322382 /nfs/dbraw/zinc/32/23/82/1059322382.db2.gz SIRPZUWAFFLATL-IAQYHMDHSA-N 1 2 300.229 4.331 20 30 DIEDLO C=CC[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001559521944 1059322400 /nfs/dbraw/zinc/32/24/00/1059322400.db2.gz SIRPZUWAFFLATL-IAQYHMDHSA-N 1 2 300.229 4.331 20 30 DIEDLO C=CC[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001559521946 1059322924 /nfs/dbraw/zinc/32/29/24/1059322924.db2.gz SIRPZUWAFFLATL-XHDPSFHLSA-N 1 2 300.229 4.331 20 30 DIEDLO C=CC[C@H](C)[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001559521946 1059322943 /nfs/dbraw/zinc/32/29/43/1059322943.db2.gz SIRPZUWAFFLATL-XHDPSFHLSA-N 1 2 300.229 4.331 20 30 DIEDLO COc1c(C)c[nH+]c(CN(CC(C)C)c2ccc(C#N)cc2)c1C ZINC001559621363 1059450454 /nfs/dbraw/zinc/45/04/54/1059450454.db2.gz SFJIGXFXMAFTMK-UHFFFAOYSA-N 1 2 323.440 4.241 20 30 DIEDLO C=C(C)CCC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001532440020 1059631874 /nfs/dbraw/zinc/63/18/74/1059631874.db2.gz PJKGXNOFMJJADA-UHFFFAOYSA-N 1 2 310.397 4.148 20 30 DIEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001559962288 1059769715 /nfs/dbraw/zinc/76/97/15/1059769715.db2.gz ZHDKZWWKSYVAKL-ZDUSSCGKSA-N 1 2 300.229 4.410 20 30 DIEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001559962288 1059769729 /nfs/dbraw/zinc/76/97/29/1059769729.db2.gz ZHDKZWWKSYVAKL-ZDUSSCGKSA-N 1 2 300.229 4.410 20 30 DIEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001559962287 1059769965 /nfs/dbraw/zinc/76/99/65/1059769965.db2.gz ZHDKZWWKSYVAKL-CYBMUJFWSA-N 1 2 300.229 4.410 20 30 DIEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001559962287 1059769978 /nfs/dbraw/zinc/76/99/78/1059769978.db2.gz ZHDKZWWKSYVAKL-CYBMUJFWSA-N 1 2 300.229 4.410 20 30 DIEDLO COc1c(Cl)c(Cl)ccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001248641582 1059921388 /nfs/dbraw/zinc/92/13/88/1059921388.db2.gz NAGQROIXMYDOAQ-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)c(Cl)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001248641582 1059921405 /nfs/dbraw/zinc/92/14/05/1059921405.db2.gz NAGQROIXMYDOAQ-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO C=CC[C@H]1CC[N@H+]1Cc1ccc(Br)cc1Cl ZINC001560206090 1059984478 /nfs/dbraw/zinc/98/44/78/1059984478.db2.gz PBKYNHXTVNQKEA-LBPRGKRZSA-N 1 2 300.627 4.253 20 30 DIEDLO C=CC[C@H]1CC[N@@H+]1Cc1ccc(Br)cc1Cl ZINC001560206090 1059984499 /nfs/dbraw/zinc/98/44/99/1059984499.db2.gz PBKYNHXTVNQKEA-LBPRGKRZSA-N 1 2 300.627 4.253 20 30 DIEDLO C#CC[N@@H+](Cc1cc(C)c(C)nc1Cl)[C@@H]1CCc2ccccc21 ZINC001249020718 1060112812 /nfs/dbraw/zinc/11/28/12/1060112812.db2.gz YQPUMJNNIIPCRA-LJQANCHMSA-N 1 2 324.855 4.475 20 30 DIEDLO C#CC[N@H+](Cc1cc(C)c(C)nc1Cl)[C@@H]1CCc2ccccc21 ZINC001249020718 1060112826 /nfs/dbraw/zinc/11/28/26/1060112826.db2.gz YQPUMJNNIIPCRA-LJQANCHMSA-N 1 2 324.855 4.475 20 30 DIEDLO CCCCCCCNC(=S)Nc1cccn2c(C)c(C)[nH+]c12 ZINC001249632102 1060319280 /nfs/dbraw/zinc/31/92/80/1060319280.db2.gz VRXRPTCQUARJNI-UHFFFAOYSA-N 1 2 318.490 4.208 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1N ZINC001560657564 1060481444 /nfs/dbraw/zinc/48/14/44/1060481444.db2.gz RMLPLBCKCJWXHP-UHFFFAOYSA-N 1 2 314.260 4.337 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1N ZINC001560657564 1060481446 /nfs/dbraw/zinc/48/14/46/1060481446.db2.gz RMLPLBCKCJWXHP-UHFFFAOYSA-N 1 2 314.260 4.337 20 30 DIEDLO C#C[C@H]([NH2+]Cc1nc2ccccc2nc1C)c1ccc(Cl)cc1 ZINC001560864755 1060723346 /nfs/dbraw/zinc/72/33/46/1060723346.db2.gz JKHZNGYFMQBBSD-INIZCTEOSA-N 1 2 321.811 4.056 20 30 DIEDLO CC(C)Oc1c(F)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001250297751 1060762234 /nfs/dbraw/zinc/76/22/34/1060762234.db2.gz TWLBPAZWCTWHGL-CYBMUJFWSA-N 1 2 324.827 4.392 20 30 DIEDLO CC(C)Oc1c(F)cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001250297751 1060762249 /nfs/dbraw/zinc/76/22/49/1060762249.db2.gz TWLBPAZWCTWHGL-CYBMUJFWSA-N 1 2 324.827 4.392 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCC[C@@H](CC)CC1)C(=O)OCC ZINC001560967630 1060832142 /nfs/dbraw/zinc/83/21/42/1060832142.db2.gz MZPFUABTUISFKQ-KFWWJZLASA-N 1 2 301.858 4.009 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCC ZINC001560967393 1060832468 /nfs/dbraw/zinc/83/24/68/1060832468.db2.gz GJXLNAIKMZGZPW-HNNXBMFYSA-N 1 2 313.869 4.153 20 30 DIEDLO C=C(C)[C@@H]1CC=C(c2[nH]c3ccc(N4CCOCC4)cc3[nH+]2)CC1 ZINC001250569666 1060907475 /nfs/dbraw/zinc/90/74/75/1060907475.db2.gz XTMHDMOGFIUCTJ-OAHLLOKOSA-N 1 2 323.440 4.159 20 30 DIEDLO N#Cc1ccc(Cl)c(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)c1 ZINC001250887787 1061112730 /nfs/dbraw/zinc/11/27/30/1061112730.db2.gz WXXGHDKTMFWFGM-UHFFFAOYSA-N 1 2 322.799 4.355 20 30 DIEDLO CCCCCCCC[C@H](C)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001456237214 1061289265 /nfs/dbraw/zinc/28/92/65/1061289265.db2.gz DUSSEXZQVBGEEP-HNNXBMFYSA-N 1 2 319.493 4.291 20 30 DIEDLO Cc1ccnc(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)c1C#N ZINC001458286721 1061679079 /nfs/dbraw/zinc/67/90/79/1061679079.db2.gz UJDXSSWFIJHZEV-OAHLLOKOSA-N 1 2 321.428 4.088 20 30 DIEDLO CC(C)(C#N)c1ccc(CNc2c[nH+]cc3c2CCCC3)cc1 ZINC001474209054 1061764504 /nfs/dbraw/zinc/76/45/04/1061764504.db2.gz ZQFIRCJTPWDFQE-UHFFFAOYSA-N 1 2 305.425 4.374 20 30 DIEDLO N#Cc1cc(C[NH+]2CCC(=Cc3ccccc3F)CC2)cs1 ZINC001474353742 1061970843 /nfs/dbraw/zinc/97/08/43/1061970843.db2.gz UZLDZLFDKMBWRI-UHFFFAOYSA-N 1 2 312.413 4.438 20 30 DIEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345391 1062080295 /nfs/dbraw/zinc/08/02/95/1062080295.db2.gz ZZOSUQBPSGERCL-XBMUEBEBSA-N 1 2 313.420 4.058 20 30 DIEDLO CCC[C@](C)(C#N)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254350744 1062083037 /nfs/dbraw/zinc/08/30/37/1062083037.db2.gz NSXSNXFKIQFZPW-JLAWEPINSA-N 1 2 313.420 4.202 20 30 DIEDLO C=CC[N@H+](CC1CCCCC1)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC001459484070 1062162242 /nfs/dbraw/zinc/16/22/42/1062162242.db2.gz LISVFYJCXCQNSD-SFHVURJKSA-N 1 2 319.420 4.108 20 30 DIEDLO C=CC[N@@H+](CC1CCCCC1)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC001459484070 1062162250 /nfs/dbraw/zinc/16/22/50/1062162250.db2.gz LISVFYJCXCQNSD-SFHVURJKSA-N 1 2 319.420 4.108 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(O)c1Cl ZINC001474591341 1062306363 /nfs/dbraw/zinc/30/63/63/1062306363.db2.gz GKKPAKHGMIKBAG-LBPRGKRZSA-N 1 2 300.789 4.110 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(O)c1Cl ZINC001474591341 1062306387 /nfs/dbraw/zinc/30/63/87/1062306387.db2.gz GKKPAKHGMIKBAG-LBPRGKRZSA-N 1 2 300.789 4.110 20 30 DIEDLO COc1cccc(Nc2ccc(NC[C@@H](C)CCC#N)[nH+]c2)c1 ZINC001474630833 1062353523 /nfs/dbraw/zinc/35/35/23/1062353523.db2.gz PQGLNJYZIKCOQJ-AWEZNQCLSA-N 1 2 310.401 4.186 20 30 DIEDLO Cc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2ccncc2C#N)cc1 ZINC001459908866 1062489148 /nfs/dbraw/zinc/48/91/48/1062489148.db2.gz XKUMNDJSDYBAQD-MRXNPFEDSA-N 1 2 319.330 4.045 20 30 DIEDLO C#CC(C)(C)[N@H+](C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001459938301 1062508658 /nfs/dbraw/zinc/50/86/58/1062508658.db2.gz CMSUAYOKAWDRCR-UHFFFAOYSA-N 1 2 304.503 4.237 20 30 DIEDLO C#CC(C)(C)[N@@H+](C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001459938301 1062508678 /nfs/dbraw/zinc/50/86/78/1062508678.db2.gz CMSUAYOKAWDRCR-UHFFFAOYSA-N 1 2 304.503 4.237 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3nccc(Cl)c3Cl)CC2)c1 ZINC001460095087 1062630706 /nfs/dbraw/zinc/63/07/06/1062630706.db2.gz AMKKAEDHSBFLQY-UHFFFAOYSA-N 1 2 318.207 4.039 20 30 DIEDLO CC(C)[C@](C)(C#N)[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001256212763 1062749395 /nfs/dbraw/zinc/74/93/95/1062749395.db2.gz ISHCCNXYXDGJCV-CJNGLKHVSA-N 1 2 323.278 4.298 20 30 DIEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257826431 1063396592 /nfs/dbraw/zinc/39/65/92/1063396592.db2.gz UAMUQWRWQOQSKV-XBMUEBEBSA-N 1 2 300.446 4.042 20 30 DIEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257828663 1063397848 /nfs/dbraw/zinc/39/78/48/1063397848.db2.gz OLZWWXTXQOMHMH-MHJFOBGBSA-N 1 2 314.473 4.432 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCSC(F)(F)F ZINC001473179811 1063485952 /nfs/dbraw/zinc/48/59/52/1063485952.db2.gz JHBVHHGCYPPFRX-KBPBESRZSA-N 1 2 314.376 4.011 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCSC(F)(F)F ZINC001473179811 1063485959 /nfs/dbraw/zinc/48/59/59/1063485959.db2.gz JHBVHHGCYPPFRX-KBPBESRZSA-N 1 2 314.376 4.011 20 30 DIEDLO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]C1(C#N)CCCC1 ZINC001258304100 1063601106 /nfs/dbraw/zinc/60/11/06/1063601106.db2.gz ZDVBRQBQIKUETN-AWEZNQCLSA-N 1 2 306.475 4.496 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 ZINC001258513722 1063680051 /nfs/dbraw/zinc/68/00/51/1063680051.db2.gz ZQUAKBQQMYSAAB-VURMDHGXSA-N 1 2 321.207 4.351 20 30 DIEDLO N#CCC[NH2+]Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC001461813413 1063732491 /nfs/dbraw/zinc/73/24/91/1063732491.db2.gz XNHFOORXAONION-UHFFFAOYSA-N 1 2 304.752 4.275 20 30 DIEDLO C[C@H](C#N)C[NH2+]Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001461815993 1063732825 /nfs/dbraw/zinc/73/28/25/1063732825.db2.gz IFTWMPBGQVWIMM-LLVKDONJSA-N 1 2 320.314 4.145 20 30 DIEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)Cc1ccc(F)cc1 ZINC001462036640 1063893419 /nfs/dbraw/zinc/89/34/19/1063893419.db2.gz DBMHUTQWVBBSEW-UHFFFAOYSA-N 1 2 317.791 4.123 20 30 DIEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001462036640 1063893424 /nfs/dbraw/zinc/89/34/24/1063893424.db2.gz DBMHUTQWVBBSEW-UHFFFAOYSA-N 1 2 317.791 4.123 20 30 DIEDLO CN(C)c1[nH+]cc(CSc2ccccc2C#N)c2ccccc21 ZINC001307303152 1065333687 /nfs/dbraw/zinc/33/36/87/1065333687.db2.gz QAYRPOJXKNVQAL-UHFFFAOYSA-N 1 2 319.433 4.465 20 30 DIEDLO C=CCCCCC[N@@H+](C)Cc1sncc1Br ZINC001307485774 1065430312 /nfs/dbraw/zinc/43/03/12/1065430312.db2.gz OBHFUOPWXWNEOQ-UHFFFAOYSA-N 1 2 303.269 4.084 20 30 DIEDLO C=CCCCCC[N@H+](C)Cc1sncc1Br ZINC001307485774 1065430319 /nfs/dbraw/zinc/43/03/19/1065430319.db2.gz OBHFUOPWXWNEOQ-UHFFFAOYSA-N 1 2 303.269 4.084 20 30 DIEDLO Cc1ccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1C#N ZINC001307657435 1065546222 /nfs/dbraw/zinc/54/62/22/1065546222.db2.gz ALTFACDZAGVVPF-HNNXBMFYSA-N 1 2 317.392 4.373 20 30 DIEDLO Cc1ccc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1C#N ZINC001307657436 1065546688 /nfs/dbraw/zinc/54/66/88/1065546688.db2.gz ALTFACDZAGVVPF-OAHLLOKOSA-N 1 2 317.392 4.373 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cc(Cl)ccc1Cl ZINC001307699311 1065569905 /nfs/dbraw/zinc/56/99/05/1065569905.db2.gz BOYCOJSWYMAELB-SNVBAGLBSA-N 1 2 306.196 4.111 20 30 DIEDLO N#CCc1ccc(C[N@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001307805891 1065630241 /nfs/dbraw/zinc/63/02/41/1065630241.db2.gz ODIKBXAKJSDYAC-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO N#CCc1ccc(C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001307805891 1065630253 /nfs/dbraw/zinc/63/02/53/1065630253.db2.gz ODIKBXAKJSDYAC-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc(C(F)F)nc1)c1ccc(Cl)cc1 ZINC001308796016 1066272094 /nfs/dbraw/zinc/27/20/94/1066272094.db2.gz LGJRXTNBATXLKB-AWEZNQCLSA-N 1 2 306.743 4.137 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)C[C@H](C)CC(C)C)C(=O)OCC ZINC001308901202 1066379629 /nfs/dbraw/zinc/37/96/29/1066379629.db2.gz QNAMBIVPSPRSOT-YUELXQCFSA-N 1 2 303.874 4.111 20 30 DIEDLO N#CC1(c2ccc(C[N@@H+]3CCc4cc(F)cc(F)c4C3)cc2)CC1 ZINC001308987515 1066433229 /nfs/dbraw/zinc/43/32/29/1066433229.db2.gz PHWBKVFFMXDKKE-UHFFFAOYSA-N 1 2 324.374 4.078 20 30 DIEDLO N#CC1(c2ccc(C[N@H+]3CCc4cc(F)cc(F)c4C3)cc2)CC1 ZINC001308987515 1066433235 /nfs/dbraw/zinc/43/32/35/1066433235.db2.gz PHWBKVFFMXDKKE-UHFFFAOYSA-N 1 2 324.374 4.078 20 30 DIEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000287234436 335041841 /nfs/dbraw/zinc/04/18/41/335041841.db2.gz YJEDHULKUQIVME-MJEQTWJJSA-N 1 2 309.837 4.068 20 30 DIEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000287234442 335041886 /nfs/dbraw/zinc/04/18/86/335041886.db2.gz YJEDHULKUQIVME-VMGRFDJRSA-N 1 2 309.837 4.068 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cn2ccccc2c1C#N ZINC000343326943 335093312 /nfs/dbraw/zinc/09/33/12/335093312.db2.gz AACIFWHBZXMBFP-UHFFFAOYSA-N 1 2 307.422 4.061 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cn2ccccc2c1C#N ZINC000343326943 335093313 /nfs/dbraw/zinc/09/33/13/335093313.db2.gz AACIFWHBZXMBFP-UHFFFAOYSA-N 1 2 307.422 4.061 20 30 DIEDLO N#Cc1csc(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000570865112 332832410 /nfs/dbraw/zinc/83/24/10/332832410.db2.gz PLDQVYPPNANXDV-UHFFFAOYSA-N 1 2 317.845 4.048 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H](C)c1nccnc1C)c1ccc(F)c(F)c1 ZINC000188485899 331643373 /nfs/dbraw/zinc/64/33/73/331643373.db2.gz BSVMHSDCYPVOKH-WBMJQRKESA-N 1 2 303.356 4.031 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)c(Cl)cc1Cl ZINC000558237595 331886056 /nfs/dbraw/zinc/88/60/56/331886056.db2.gz VSKWUSUAWQHKNO-SECBINFHSA-N 1 2 324.186 4.250 20 30 DIEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000560256340 332324625 /nfs/dbraw/zinc/32/46/25/332324625.db2.gz KVNHDXUIRUFNAJ-KRWDZBQOSA-N 1 2 320.436 4.355 20 30 DIEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000560277105 332326389 /nfs/dbraw/zinc/32/63/89/332326389.db2.gz OFQOLCTYAUIARO-HOTGVXAUSA-N 1 2 300.446 4.201 20 30 DIEDLO N#Cc1ccc(C[N@H+](CCC(F)(F)F)Cc2ccccc2)o1 ZINC000191781002 332350499 /nfs/dbraw/zinc/35/04/99/332350499.db2.gz JSCDCDFNLHIHCH-UHFFFAOYSA-N 1 2 308.303 4.106 20 30 DIEDLO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)Cc2ccccc2)o1 ZINC000191781002 332350498 /nfs/dbraw/zinc/35/04/98/332350498.db2.gz JSCDCDFNLHIHCH-UHFFFAOYSA-N 1 2 308.303 4.106 20 30 DIEDLO Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000560570099 332362058 /nfs/dbraw/zinc/36/20/58/332362058.db2.gz OIXPPLANPHMBTF-UHFFFAOYSA-N 1 2 300.377 4.376 20 30 DIEDLO Cc1cc(F)ccc1-c1ccc(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000560570099 332362060 /nfs/dbraw/zinc/36/20/60/332362060.db2.gz OIXPPLANPHMBTF-UHFFFAOYSA-N 1 2 300.377 4.376 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)c(F)c1 ZINC000187772000 332389395 /nfs/dbraw/zinc/38/93/95/332389395.db2.gz RYEMJKFTGSUTMN-SFHVURJKSA-N 1 2 316.326 4.383 20 30 DIEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000428309735 332449958 /nfs/dbraw/zinc/44/99/58/332449958.db2.gz DZJYPUYUPOIXMY-UHFFFAOYSA-N 1 2 300.764 4.130 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1ccncc1Cl)c1ccc(F)c(F)c1 ZINC000187788532 332630215 /nfs/dbraw/zinc/63/02/15/332630215.db2.gz FXBKAKRLCZMVAL-MRXNPFEDSA-N 1 2 308.759 4.420 20 30 DIEDLO CC1(C)c2ccccc2C(=O)/C1=C/c1[nH+]ccn1CC(F)(F)F ZINC000171541295 333050477 /nfs/dbraw/zinc/05/04/77/333050477.db2.gz SAFFEVBJMSGMNO-LCYFTJDESA-N 1 2 320.314 4.003 20 30 DIEDLO Cc1[nH+]c2ccccc2n1CCCNc1cccc(Cl)c1C#N ZINC000514484695 333138421 /nfs/dbraw/zinc/13/84/21/333138421.db2.gz QSXUHQPBTABVJE-UHFFFAOYSA-N 1 2 324.815 4.372 20 30 DIEDLO N#CCC[N@H+](Cc1ccco1)CC1CCC(C(F)(F)F)CC1 ZINC000185489339 333209285 /nfs/dbraw/zinc/20/92/85/333209285.db2.gz IXVDNFYBTVEOJJ-UHFFFAOYSA-N 1 2 314.351 4.364 20 30 DIEDLO N#CCC[N@@H+](Cc1ccco1)CC1CCC(C(F)(F)F)CC1 ZINC000185489339 333209286 /nfs/dbraw/zinc/20/92/86/333209286.db2.gz IXVDNFYBTVEOJJ-UHFFFAOYSA-N 1 2 314.351 4.364 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187502144 333233740 /nfs/dbraw/zinc/23/37/40/333233740.db2.gz HMZSPIGCVNGPRO-INIZCTEOSA-N 1 2 324.827 4.182 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187502144 333233742 /nfs/dbraw/zinc/23/37/42/333233742.db2.gz HMZSPIGCVNGPRO-INIZCTEOSA-N 1 2 324.827 4.182 20 30 DIEDLO C[C@H]([NH2+][C@H](CCc1ccccc1)C(F)F)c1ccc(C#N)cc1 ZINC000497550050 333261702 /nfs/dbraw/zinc/26/17/02/333261702.db2.gz JKNVXMRUTGDAQF-KBXCAEBGSA-N 1 2 314.379 4.475 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(Cl)cs1 ZINC000192757209 333292429 /nfs/dbraw/zinc/29/24/29/333292429.db2.gz BVLBBFMBQWNVAV-UHFFFAOYSA-N 1 2 307.806 4.091 20 30 DIEDLO Cc1cc([NH2+][C@H]2CCC[C@H](C#N)C2)ccc1OC1CCOCC1 ZINC000193264752 333300888 /nfs/dbraw/zinc/30/08/88/333300888.db2.gz ZDKUFLNUBOXYOM-HOTGVXAUSA-N 1 2 314.429 4.047 20 30 DIEDLO CCC[N@@H+](CC#N)CC/C=C/c1ccc(Br)cc1 ZINC000522775591 333388929 /nfs/dbraw/zinc/38/89/29/333388929.db2.gz HGEGUBNWOWDNJK-HWKANZROSA-N 1 2 307.235 4.088 20 30 DIEDLO CCC[N@H+](CC#N)CC/C=C/c1ccc(Br)cc1 ZINC000522775591 333388930 /nfs/dbraw/zinc/38/89/30/333388930.db2.gz HGEGUBNWOWDNJK-HWKANZROSA-N 1 2 307.235 4.088 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(F)c(F)c1 ZINC000296503503 335146067 /nfs/dbraw/zinc/14/60/67/335146067.db2.gz QDEQIBIFQOIIML-XZJROXQQSA-N 1 2 303.356 4.074 20 30 DIEDLO COc1cc(Cl)c(C[NH+]2CCC(C)(C#N)CC2)cc1Cl ZINC000272531688 334036733 /nfs/dbraw/zinc/03/67/33/334036733.db2.gz NBMXMMMDEJINFL-UHFFFAOYSA-N 1 2 313.228 4.128 20 30 DIEDLO N#C[C@@H]1CCC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278514881 334097293 /nfs/dbraw/zinc/09/72/93/334097293.db2.gz RWHMHYKHQJRETI-WBVHZDCISA-N 1 2 320.440 4.381 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284441930 334143455 /nfs/dbraw/zinc/14/34/55/334143455.db2.gz SVQQADKNMBUZLL-UHFFFAOYSA-N 1 2 305.834 4.199 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284441930 334143456 /nfs/dbraw/zinc/14/34/56/334143456.db2.gz SVQQADKNMBUZLL-UHFFFAOYSA-N 1 2 305.834 4.199 20 30 DIEDLO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)c(Cl)c1O ZINC000295855915 334228015 /nfs/dbraw/zinc/22/80/15/334228015.db2.gz BGBLJMVUBKMUBS-DCAQKATOSA-N 1 2 313.228 4.432 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000298650888 334250419 /nfs/dbraw/zinc/25/04/19/334250419.db2.gz SGBXIYFDMBLQQB-JKSUJKDBSA-N 1 2 321.424 4.091 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000298650888 334250420 /nfs/dbraw/zinc/25/04/20/334250420.db2.gz SGBXIYFDMBLQQB-JKSUJKDBSA-N 1 2 321.424 4.091 20 30 DIEDLO CC(C)(CCC#N)CNc1[nH+]cccc1OCc1ccccc1 ZINC000340939391 334395097 /nfs/dbraw/zinc/39/50/97/334395097.db2.gz RJIRUHJKOVTDSH-UHFFFAOYSA-N 1 2 309.413 4.402 20 30 DIEDLO C=CC[C@H](Cc1ccccc1)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000417136177 334694946 /nfs/dbraw/zinc/69/49/46/334694946.db2.gz IBVSGZKKEUVORU-GOSISDBHSA-N 1 2 323.440 4.316 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000345857098 335356118 /nfs/dbraw/zinc/35/61/18/335356118.db2.gz BLYWFUUGWGUWPV-JTQLQIEISA-N 1 2 303.258 4.319 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000345857098 335356120 /nfs/dbraw/zinc/35/61/20/335356120.db2.gz BLYWFUUGWGUWPV-JTQLQIEISA-N 1 2 303.258 4.319 20 30 DIEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CCCCS2)[nH+]1 ZINC000329346102 335966704 /nfs/dbraw/zinc/96/67/04/335966704.db2.gz UZIJCCRLFMBWAW-CQSZACIVSA-N 1 2 301.415 4.259 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc2occc2c1 ZINC000351550733 336042661 /nfs/dbraw/zinc/04/26/61/336042661.db2.gz PBICIKUJKJPWJO-UHFFFAOYSA-N 1 2 307.353 4.122 20 30 DIEDLO CCC(CC)CN(CCC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445811126 338510835 /nfs/dbraw/zinc/51/08/35/338510835.db2.gz PXHYMOPPBMECEV-UHFFFAOYSA-N 1 2 324.472 4.083 20 30 DIEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000332144322 336160258 /nfs/dbraw/zinc/16/02/58/336160258.db2.gz FTEKSTHYVSYQEV-LNSITVRQSA-N 1 2 315.804 4.338 20 30 DIEDLO C=CCN(Cc1ccccc1F)C(=O)Nc1c(C)cc[nH+]c1C ZINC000351922665 336179020 /nfs/dbraw/zinc/17/90/20/336179020.db2.gz IZEANBKSMFRUJK-UHFFFAOYSA-N 1 2 313.376 4.058 20 30 DIEDLO CC[N@H+](Cc1ncc(Cl)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000351987738 336185982 /nfs/dbraw/zinc/18/59/82/336185982.db2.gz ABKVAAQSHFDEDD-NSHDSACASA-N 1 2 305.834 4.251 20 30 DIEDLO CC[N@@H+](Cc1ncc(Cl)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000351987738 336185983 /nfs/dbraw/zinc/18/59/83/336185983.db2.gz ABKVAAQSHFDEDD-NSHDSACASA-N 1 2 305.834 4.251 20 30 DIEDLO C=C1CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000532553632 336255269 /nfs/dbraw/zinc/25/52/69/336255269.db2.gz YDRNNQQYQZVDDU-IBGZPJMESA-N 1 2 306.409 4.018 20 30 DIEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000532609401 336257570 /nfs/dbraw/zinc/25/75/70/336257570.db2.gz SSGFRBWFGWVDTP-ZDUSSCGKSA-N 1 2 303.327 4.148 20 30 DIEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000532609401 336257571 /nfs/dbraw/zinc/25/75/71/336257571.db2.gz SSGFRBWFGWVDTP-ZDUSSCGKSA-N 1 2 303.327 4.148 20 30 DIEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000532609400 336257582 /nfs/dbraw/zinc/25/75/82/336257582.db2.gz SSGFRBWFGWVDTP-CYBMUJFWSA-N 1 2 303.327 4.148 20 30 DIEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000532609400 336257583 /nfs/dbraw/zinc/25/75/83/336257583.db2.gz SSGFRBWFGWVDTP-CYBMUJFWSA-N 1 2 303.327 4.148 20 30 DIEDLO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000352833482 336270740 /nfs/dbraw/zinc/27/07/40/336270740.db2.gz HYILBKXBUFPHBL-SFHVURJKSA-N 1 2 323.396 4.033 20 30 DIEDLO CCN(CC)c1ccc(CNc2cc(Cl)ccc2C#N)c[nH+]1 ZINC000301275659 336298131 /nfs/dbraw/zinc/29/81/31/336298131.db2.gz LXBSQGSVPLIBQP-UHFFFAOYSA-N 1 2 314.820 4.065 20 30 DIEDLO N#Cc1c(Cl)nsc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000301936022 336338797 /nfs/dbraw/zinc/33/87/97/336338797.db2.gz UEZXRXXCAPVLKU-UHFFFAOYSA-N 1 2 318.833 4.402 20 30 DIEDLO Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H](C)C#N)c1C ZINC000302037252 336344714 /nfs/dbraw/zinc/34/47/14/336344714.db2.gz FZGDDKBRXUJEGO-VIFPVBQESA-N 1 2 318.218 4.186 20 30 DIEDLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358557631 336634507 /nfs/dbraw/zinc/63/45/07/336634507.db2.gz CEKDVYNAMKNPGH-QWRGUYRKSA-N 1 2 303.406 4.128 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccccc1 ZINC000360791276 336722289 /nfs/dbraw/zinc/72/22/89/336722289.db2.gz FECHVCPIQAFVNT-SFHVURJKSA-N 1 2 320.367 4.335 20 30 DIEDLO N#Cc1ccc(NCc2[nH+]ccn2Cc2ccccc2)c(Cl)c1 ZINC000362874689 336813819 /nfs/dbraw/zinc/81/38/19/336813819.db2.gz KAXDWPDYKFJNOD-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccccc1 ZINC000367635604 336827125 /nfs/dbraw/zinc/82/71/25/336827125.db2.gz RQQJHAKIFXUGOC-GOSISDBHSA-N 1 2 320.367 4.335 20 30 DIEDLO C[C@H]([NH2+][C@@H](c1nccs1)c1ccccc1)c1ccc(C#N)cc1 ZINC000118395175 336867301 /nfs/dbraw/zinc/86/73/01/336867301.db2.gz ISLTWSLVNWILHP-KBXCAEBGSA-N 1 2 319.433 4.455 20 30 DIEDLO N#C[C@@H]1CCC[C@@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)C1 ZINC000377084996 337046565 /nfs/dbraw/zinc/04/65/65/337046565.db2.gz VJGOCYCTBZAYBJ-NVXWUHKLSA-N 1 2 320.440 4.381 20 30 DIEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000377850442 337062553 /nfs/dbraw/zinc/06/25/53/337062553.db2.gz DWPRWKIMWPWHAT-CYBMUJFWSA-N 1 2 312.800 4.147 20 30 DIEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000377850442 337062554 /nfs/dbraw/zinc/06/25/54/337062554.db2.gz DWPRWKIMWPWHAT-CYBMUJFWSA-N 1 2 312.800 4.147 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000184895844 337200716 /nfs/dbraw/zinc/20/07/16/337200716.db2.gz KROSVOOUHRSIJF-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(Cl)cc2C#N)s1 ZINC000187004224 337261164 /nfs/dbraw/zinc/26/11/64/337261164.db2.gz ZKTYTIZWZRKFQH-NSHDSACASA-N 1 2 319.861 4.478 20 30 DIEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2C#N)s1 ZINC000187004224 337261165 /nfs/dbraw/zinc/26/11/65/337261165.db2.gz ZKTYTIZWZRKFQH-NSHDSACASA-N 1 2 319.861 4.478 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1c(C)noc1C ZINC000187492592 337266271 /nfs/dbraw/zinc/26/62/71/337266271.db2.gz DMPAPECHZLFJDS-HNNXBMFYSA-N 1 2 303.793 4.057 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000584556838 337360927 /nfs/dbraw/zinc/36/09/27/337360927.db2.gz XPFKYJHAOIGMED-KBXCAEBGSA-N 1 2 315.413 4.067 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000584556838 337360928 /nfs/dbraw/zinc/36/09/28/337360928.db2.gz XPFKYJHAOIGMED-KBXCAEBGSA-N 1 2 315.413 4.067 20 30 DIEDLO C=C(C)C[C@@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000274322473 337659755 /nfs/dbraw/zinc/65/97/55/337659755.db2.gz GOPZHSYSQIIXIG-OAHLLOKOSA-N 1 2 321.424 4.143 20 30 DIEDLO CC(C)O[C@H](C[N@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000428244605 338044087 /nfs/dbraw/zinc/04/40/87/338044087.db2.gz VNVIHEAFHKDQGZ-LJQANCHMSA-N 1 2 312.413 4.162 20 30 DIEDLO CC(C)O[C@H](C[N@@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000428244605 338044088 /nfs/dbraw/zinc/04/40/88/338044088.db2.gz VNVIHEAFHKDQGZ-LJQANCHMSA-N 1 2 312.413 4.162 20 30 DIEDLO CCCc1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000428255324 338044602 /nfs/dbraw/zinc/04/46/02/338044602.db2.gz JWWIDQGRDJCIHW-ZWKOTPCHSA-N 1 2 323.440 4.207 20 30 DIEDLO CCCc1nc(C)c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000428255324 338044603 /nfs/dbraw/zinc/04/46/03/338044603.db2.gz JWWIDQGRDJCIHW-ZWKOTPCHSA-N 1 2 323.440 4.207 20 30 DIEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1OC(F)F ZINC000428297655 338046139 /nfs/dbraw/zinc/04/61/39/338046139.db2.gz GSRHHBFWFJOJKM-NSHDSACASA-N 1 2 320.314 4.150 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1oc(CC)nc1C)c1ccc(F)c(F)c1 ZINC000428427600 338050979 /nfs/dbraw/zinc/05/09/79/338050979.db2.gz SPJHTIPKGMRKCD-QGZVFWFLSA-N 1 2 306.356 4.231 20 30 DIEDLO C=C(C)CNC(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000429337730 338077940 /nfs/dbraw/zinc/07/79/40/338077940.db2.gz UVTRLNOYEQELQY-UHFFFAOYSA-N 1 2 312.417 4.048 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2F)s1 ZINC000430095878 338096215 /nfs/dbraw/zinc/09/62/15/338096215.db2.gz CNSIKMWPYZGVIW-UHFFFAOYSA-N 1 2 300.402 4.456 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(-c2ccccc2F)s1 ZINC000430095878 338096216 /nfs/dbraw/zinc/09/62/16/338096216.db2.gz CNSIKMWPYZGVIW-UHFFFAOYSA-N 1 2 300.402 4.456 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000430102438 338096786 /nfs/dbraw/zinc/09/67/86/338096786.db2.gz DZDNBNBHQVTSLY-UHFFFAOYSA-N 1 2 324.399 4.306 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000430102438 338096787 /nfs/dbraw/zinc/09/67/87/338096787.db2.gz DZDNBNBHQVTSLY-UHFFFAOYSA-N 1 2 324.399 4.306 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000430111865 338097491 /nfs/dbraw/zinc/09/74/91/338097491.db2.gz VGELGESXZACQOR-UHFFFAOYSA-N 1 2 302.727 4.260 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000430111865 338097492 /nfs/dbraw/zinc/09/74/92/338097492.db2.gz VGELGESXZACQOR-UHFFFAOYSA-N 1 2 302.727 4.260 20 30 DIEDLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433311946 338191462 /nfs/dbraw/zinc/19/14/62/338191462.db2.gz JNGQISKVYPWSPJ-HUUCEWRRSA-N 1 2 315.461 4.009 20 30 DIEDLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433311946 338191463 /nfs/dbraw/zinc/19/14/63/338191463.db2.gz JNGQISKVYPWSPJ-HUUCEWRRSA-N 1 2 315.461 4.009 20 30 DIEDLO C=C(C)C[C@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436192412 338261375 /nfs/dbraw/zinc/26/13/75/338261375.db2.gz UBFYBQGRFXGVQM-HNNXBMFYSA-N 1 2 323.440 4.427 20 30 DIEDLO COc1cccc2c(N[C@H](C)c3ccc(C#N)cc3)cc[nH+]c12 ZINC000436199079 338261684 /nfs/dbraw/zinc/26/16/84/338261684.db2.gz RJFKLPYUZGDVDP-CYBMUJFWSA-N 1 2 303.365 4.288 20 30 DIEDLO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1Cl)c1nccs1 ZINC000439434547 338369267 /nfs/dbraw/zinc/36/92/67/338369267.db2.gz DUGDJLBMXITHSK-HNNXBMFYSA-N 1 2 305.834 4.083 20 30 DIEDLO CCOc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439439277 338369418 /nfs/dbraw/zinc/36/94/18/338369418.db2.gz FTQOKJUFHOFPHR-UHFFFAOYSA-N 1 2 314.816 4.242 20 30 DIEDLO CCOc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439439277 338369419 /nfs/dbraw/zinc/36/94/19/338369419.db2.gz FTQOKJUFHOFPHR-UHFFFAOYSA-N 1 2 314.816 4.242 20 30 DIEDLO Cc1csc(C2([NH2+]Cc3ccc(C#N)cc3Cl)CCC2)n1 ZINC000439447325 338369739 /nfs/dbraw/zinc/36/97/39/338369739.db2.gz FIWTUYIHTAVDQL-UHFFFAOYSA-N 1 2 317.845 4.146 20 30 DIEDLO CCc1nc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cs1 ZINC000439461032 338370186 /nfs/dbraw/zinc/37/01/86/338370186.db2.gz YROSCGQOYPLYRA-JTQLQIEISA-N 1 2 305.834 4.081 20 30 DIEDLO Clc1cccc(C#CC[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000440039998 338382748 /nfs/dbraw/zinc/38/27/48/338382748.db2.gz YSXFVNFSKGRSGL-UHFFFAOYSA-N 1 2 320.823 4.231 20 30 DIEDLO Clc1cccc(C#CC[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000440039998 338382749 /nfs/dbraw/zinc/38/27/49/338382749.db2.gz YSXFVNFSKGRSGL-UHFFFAOYSA-N 1 2 320.823 4.231 20 30 DIEDLO CCCCn1cc[nH+]c1-c1cccc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000442867572 338436318 /nfs/dbraw/zinc/43/63/18/338436318.db2.gz ZCGOYKIJCHEMMU-YJBOKZPZSA-N 1 2 308.429 4.454 20 30 DIEDLO CCOc1cc(C[N@H+](CCC#N)CC(C)(C)C)cc(Cl)c1O ZINC000459334520 339022565 /nfs/dbraw/zinc/02/25/65/339022565.db2.gz GFMCCZNYGWSQOI-UHFFFAOYSA-N 1 2 324.852 4.206 20 30 DIEDLO CCOc1cc(C[N@@H+](CCC#N)CC(C)(C)C)cc(Cl)c1O ZINC000459334520 339022566 /nfs/dbraw/zinc/02/25/66/339022566.db2.gz GFMCCZNYGWSQOI-UHFFFAOYSA-N 1 2 324.852 4.206 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nc2c(s1)CCC2 ZINC000459637556 339039651 /nfs/dbraw/zinc/03/96/51/339039651.db2.gz XWLPMOVWZMXXSO-SNVBAGLBSA-N 1 2 317.845 4.008 20 30 DIEDLO N#CCCCOc1cccc(C[N@@H+]2Cc3cccc(F)c3C2)c1 ZINC000459718302 339044198 /nfs/dbraw/zinc/04/41/98/339044198.db2.gz RCBJNLCXYMJRBM-UHFFFAOYSA-N 1 2 310.372 4.024 20 30 DIEDLO N#CCCCOc1cccc(C[N@H+]2Cc3cccc(F)c3C2)c1 ZINC000459718302 339044199 /nfs/dbraw/zinc/04/41/99/339044199.db2.gz RCBJNLCXYMJRBM-UHFFFAOYSA-N 1 2 310.372 4.024 20 30 DIEDLO C[N@H+](Cc1cc(C#N)ccc1F)Cc1cccc(Cl)c1F ZINC000467202514 339228016 /nfs/dbraw/zinc/22/80/16/339228016.db2.gz QSBAGSCWGGSCON-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1cccc(Cl)c1F ZINC000467202514 339228017 /nfs/dbraw/zinc/22/80/17/339228017.db2.gz QSBAGSCWGGSCON-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000468120504 339254663 /nfs/dbraw/zinc/25/46/63/339254663.db2.gz KOZUYUPIPKPZAJ-HXUWFJFHSA-N 1 2 323.440 4.427 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(Oc2ccccc2)cc1 ZINC000469292731 339285334 /nfs/dbraw/zinc/28/53/34/339285334.db2.gz QOKXPXAYJHCDHL-MRXNPFEDSA-N 1 2 310.397 4.092 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(Oc2ccccc2)cc1 ZINC000469292731 339285335 /nfs/dbraw/zinc/28/53/35/339285335.db2.gz QOKXPXAYJHCDHL-MRXNPFEDSA-N 1 2 310.397 4.092 20 30 DIEDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000469994617 339307476 /nfs/dbraw/zinc/30/74/76/339307476.db2.gz ZMLNPGWSIYRHFE-CYBMUJFWSA-N 1 2 316.754 4.374 20 30 DIEDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000469994617 339307477 /nfs/dbraw/zinc/30/74/77/339307477.db2.gz ZMLNPGWSIYRHFE-CYBMUJFWSA-N 1 2 316.754 4.374 20 30 DIEDLO C=C(C)C[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000470908676 339331021 /nfs/dbraw/zinc/33/10/21/339331021.db2.gz YOZPCGLDFAXYFK-UHFFFAOYSA-N 1 2 319.408 4.315 20 30 DIEDLO C=C(C)C[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000470908676 339331022 /nfs/dbraw/zinc/33/10/22/339331022.db2.gz YOZPCGLDFAXYFK-UHFFFAOYSA-N 1 2 319.408 4.315 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000472235480 339366857 /nfs/dbraw/zinc/36/68/57/339366857.db2.gz AKZFLQXBAWOQEC-SJLPKXTDSA-N 1 2 311.816 4.007 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000472235480 339366858 /nfs/dbraw/zinc/36/68/58/339366858.db2.gz AKZFLQXBAWOQEC-SJLPKXTDSA-N 1 2 311.816 4.007 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1nn(CC)c2ccccc12 ZINC000473140840 339382222 /nfs/dbraw/zinc/38/22/22/339382222.db2.gz FEPFVLSWGCPFHI-UHFFFAOYSA-N 1 2 312.461 4.208 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1nn(CC)c2ccccc12 ZINC000473140840 339382223 /nfs/dbraw/zinc/38/22/23/339382223.db2.gz FEPFVLSWGCPFHI-UHFFFAOYSA-N 1 2 312.461 4.208 20 30 DIEDLO C=CCn1cccc1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000489002336 339799586 /nfs/dbraw/zinc/79/95/86/339799586.db2.gz KYBONPPADCAILW-UHFFFAOYSA-N 1 2 319.364 4.114 20 30 DIEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(C)ccn1)c1ccc(Cl)cc1F ZINC000491778392 339880977 /nfs/dbraw/zinc/88/09/77/339880977.db2.gz YJLXERPGIHWJGA-LRDDRELGSA-N 1 2 302.780 4.208 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000499052606 340028526 /nfs/dbraw/zinc/02/85/26/340028526.db2.gz JIZCFGQVXFZWKN-HNNXBMFYSA-N 1 2 314.454 4.072 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000499052606 340028527 /nfs/dbraw/zinc/02/85/27/340028527.db2.gz JIZCFGQVXFZWKN-HNNXBMFYSA-N 1 2 314.454 4.072 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000499066531 340029101 /nfs/dbraw/zinc/02/91/01/340029101.db2.gz XYUXQEPFBLVZOX-OAHLLOKOSA-N 1 2 314.454 4.072 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000499066531 340029102 /nfs/dbraw/zinc/02/91/02/340029102.db2.gz XYUXQEPFBLVZOX-OAHLLOKOSA-N 1 2 314.454 4.072 20 30 DIEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000501270604 340077763 /nfs/dbraw/zinc/07/77/63/340077763.db2.gz UZGVGWCDXLTANY-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000501270604 340077764 /nfs/dbraw/zinc/07/77/64/340077764.db2.gz UZGVGWCDXLTANY-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO C=C(C)CCc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000508671673 340250273 /nfs/dbraw/zinc/25/02/73/340250273.db2.gz OACRGLLOEKCTSC-INIZCTEOSA-N 1 2 315.392 4.055 20 30 DIEDLO C=C(C)CCc1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000508671673 340250274 /nfs/dbraw/zinc/25/02/74/340250274.db2.gz OACRGLLOEKCTSC-INIZCTEOSA-N 1 2 315.392 4.055 20 30 DIEDLO CC[N@@H+](Cc1ccccc1OCc1ccccc1)C[C@H](C)C#N ZINC000509817401 340280021 /nfs/dbraw/zinc/28/00/21/340280021.db2.gz BMCRCZJXDUWWOO-QGZVFWFLSA-N 1 2 308.425 4.247 20 30 DIEDLO CC[N@H+](Cc1ccccc1OCc1ccccc1)C[C@H](C)C#N ZINC000509817401 340280022 /nfs/dbraw/zinc/28/00/22/340280022.db2.gz BMCRCZJXDUWWOO-QGZVFWFLSA-N 1 2 308.425 4.247 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(F)cc1F ZINC000512199794 340352126 /nfs/dbraw/zinc/35/21/26/340352126.db2.gz DKGOVDUVLIPKFD-ZDUSSCGKSA-N 1 2 321.367 4.189 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(F)cc1F ZINC000512199794 340352127 /nfs/dbraw/zinc/35/21/27/340352127.db2.gz DKGOVDUVLIPKFD-ZDUSSCGKSA-N 1 2 321.367 4.189 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1cc(F)ccc1F ZINC000512433165 340361716 /nfs/dbraw/zinc/36/17/16/340361716.db2.gz KCSMHKPUXMFIBF-CYBMUJFWSA-N 1 2 321.367 4.189 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1cc(F)ccc1F ZINC000512433165 340361717 /nfs/dbraw/zinc/36/17/17/340361717.db2.gz KCSMHKPUXMFIBF-CYBMUJFWSA-N 1 2 321.367 4.189 20 30 DIEDLO C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(C#N)cc1F ZINC000512654089 340371214 /nfs/dbraw/zinc/37/12/14/340371214.db2.gz JDZNXYSSZZVJAV-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO CC[N@@H+](Cc1ccc(-c2ccccc2)cc1OC)C[C@H](C)C#N ZINC000512747038 340375632 /nfs/dbraw/zinc/37/56/32/340375632.db2.gz BBYRRUHEKOMERP-MRXNPFEDSA-N 1 2 308.425 4.344 20 30 DIEDLO CC[N@H+](Cc1ccc(-c2ccccc2)cc1OC)C[C@H](C)C#N ZINC000512747038 340375633 /nfs/dbraw/zinc/37/56/33/340375633.db2.gz BBYRRUHEKOMERP-MRXNPFEDSA-N 1 2 308.425 4.344 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1OC(F)F ZINC000539245650 340878144 /nfs/dbraw/zinc/87/81/44/340878144.db2.gz FBFKMNUFXWZHNO-LLVKDONJSA-N 1 2 320.314 4.150 20 30 DIEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1nc(C(C)(C)C)cs1 ZINC000541661586 340979896 /nfs/dbraw/zinc/97/98/96/340979896.db2.gz RDWADHAIDNVBEQ-NSHDSACASA-N 1 2 317.433 4.302 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1cc(F)c(F)cc1F)c1ccccc1 ZINC000130420285 341021364 /nfs/dbraw/zinc/02/13/64/341021364.db2.gz LCBPFQBWAHZVRN-KRWDZBQOSA-N 1 2 304.315 4.239 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000130453488 341022182 /nfs/dbraw/zinc/02/21/82/341022182.db2.gz BXWPKCHTVWLZCF-LJQANCHMSA-N 1 2 317.392 4.476 20 30 DIEDLO C=CC[NH+](CC=C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000543449078 341045223 /nfs/dbraw/zinc/04/52/23/341045223.db2.gz AVHCQHZXZRKNAN-UHFFFAOYSA-N 1 2 306.381 4.262 20 30 DIEDLO CC(C)(C)c1cc(N2CCC(CC#N)CC2)nc(C(C)(C)C)[nH+]1 ZINC000543791606 341058896 /nfs/dbraw/zinc/05/88/96/341058896.db2.gz PGWBNKYSISUFRR-UHFFFAOYSA-N 1 2 314.477 4.202 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Cl)o1 ZINC000564314301 341199303 /nfs/dbraw/zinc/19/93/03/341199303.db2.gz BSGKAVNANWSKGY-UHFFFAOYSA-N 1 2 307.825 4.289 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Cl)o1 ZINC000564314301 341199304 /nfs/dbraw/zinc/19/93/04/341199304.db2.gz BSGKAVNANWSKGY-UHFFFAOYSA-N 1 2 307.825 4.289 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccc(C#N)cc1 ZINC000549174244 341287857 /nfs/dbraw/zinc/28/78/57/341287857.db2.gz QAWLZAVTBJWPTJ-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3ncc(Cl)cc3Cl)CC2)c1 ZINC000551410842 341340883 /nfs/dbraw/zinc/34/08/83/341340883.db2.gz GHNNYGAWRATILF-UHFFFAOYSA-N 1 2 318.207 4.039 20 30 DIEDLO C=CCC(C)(C)c1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000551498095 341342975 /nfs/dbraw/zinc/34/29/75/341342975.db2.gz NJOHALZZAIOKJD-YFHOEESVSA-N 1 2 320.396 4.279 20 30 DIEDLO C=CCC(C)(C)c1noc(C(C)(C)Cc2[nH]c3ccccc3[nH+]2)n1 ZINC000551498166 341342992 /nfs/dbraw/zinc/34/29/92/341342992.db2.gz PLMAPMPOSXIUCF-UHFFFAOYSA-N 1 2 324.428 4.320 20 30 DIEDLO Cc1csc(C2([NH2+]Cc3ccc(F)cc3C#N)CCCC2)n1 ZINC000083215644 341346484 /nfs/dbraw/zinc/34/64/84/341346484.db2.gz MHVDNTYGNBDLAD-UHFFFAOYSA-N 1 2 315.417 4.021 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)CC(C)(C)C#N ZINC000552316777 341386079 /nfs/dbraw/zinc/38/60/79/341386079.db2.gz LUSCUHFSCQFYTE-UHFFFAOYSA-N 1 2 304.743 4.340 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)CC(C)(C)C#N ZINC000552316777 341386080 /nfs/dbraw/zinc/38/60/80/341386080.db2.gz LUSCUHFSCQFYTE-UHFFFAOYSA-N 1 2 304.743 4.340 20 30 DIEDLO Cc1nsc(Nc2cccc(Oc3cc[nH+]cc3)c2)c1C#N ZINC000566699521 341565688 /nfs/dbraw/zinc/56/56/88/341565688.db2.gz HJNYQPZPEWKVNC-UHFFFAOYSA-N 1 2 308.366 4.254 20 30 DIEDLO CCc1nc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)cs1 ZINC000573590559 341732825 /nfs/dbraw/zinc/73/28/25/341732825.db2.gz VVAYYBCWYKUPDE-LBPRGKRZSA-N 1 2 304.846 4.061 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)c(F)c1 ZINC000192631839 341878182 /nfs/dbraw/zinc/87/81/82/341878182.db2.gz HAXSVOFJNOVZRK-IBGZPJMESA-N 1 2 306.340 4.170 20 30 DIEDLO C=CCc1cc(CNc2c[nH+]c3c(c2)CCCC3)cc(OC)c1O ZINC000541065714 517340479 /nfs/dbraw/zinc/34/04/79/517340479.db2.gz SOAAOIHOVSJFKU-UHFFFAOYSA-N 1 2 324.424 4.015 20 30 DIEDLO N#Cc1c(Cl)cccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000338409140 526520252 /nfs/dbraw/zinc/52/02/52/526520252.db2.gz HAGDIQFVYLHFHD-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO N#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000127055129 1035803345 /nfs/dbraw/zinc/80/33/45/1035803345.db2.gz ODRPNSJJOADNRV-UHFFFAOYSA-N 1 2 314.801 4.071 20 30 DIEDLO CCCCCCCCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001125318700 1036165077 /nfs/dbraw/zinc/16/50/77/1036165077.db2.gz UTRJWAOXPUGQGE-UHFFFAOYSA-N 1 2 315.461 4.465 20 30 DIEDLO Cc1c[nH+]cc(Nc2cc(C#N)c(F)cc2Br)c1C ZINC001213532410 1037486673 /nfs/dbraw/zinc/48/66/73/1037486673.db2.gz GTBYYGLDBJHWBY-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO CC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000051210013 1037970753 /nfs/dbraw/zinc/97/07/53/1037970753.db2.gz VCUFOMGFXQMHID-UHFFFAOYSA-N 1 2 321.471 4.192 20 30 DIEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC000603603459 1038251918 /nfs/dbraw/zinc/25/19/18/1038251918.db2.gz HTTCTECNPUBNBV-KUHUBIRLSA-N 1 2 306.409 4.439 20 30 DIEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC000603603459 1038251935 /nfs/dbraw/zinc/25/19/35/1038251935.db2.gz HTTCTECNPUBNBV-KUHUBIRLSA-N 1 2 306.409 4.439 20 30 DIEDLO CCC[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(C#N)cc1 ZINC000603681175 1038266140 /nfs/dbraw/zinc/26/61/40/1038266140.db2.gz OILFFRMQAJZEKD-UHFFFAOYSA-N 1 2 311.429 4.256 20 30 DIEDLO CCC[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(C#N)cc1 ZINC000603681175 1038266150 /nfs/dbraw/zinc/26/61/50/1038266150.db2.gz OILFFRMQAJZEKD-UHFFFAOYSA-N 1 2 311.429 4.256 20 30 DIEDLO N#Cc1cccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1F ZINC000599700847 1038336532 /nfs/dbraw/zinc/33/65/32/1038336532.db2.gz QHPRPTYJCJPANJ-UHFFFAOYSA-N 1 2 316.326 4.145 20 30 DIEDLO C=CCCC[N@@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000605150613 1038494434 /nfs/dbraw/zinc/49/44/34/1038494434.db2.gz FQOXMGXUPSFUSF-UHFFFAOYSA-N 1 2 319.246 4.255 20 30 DIEDLO C=CCCC[N@H+]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000605150613 1038494439 /nfs/dbraw/zinc/49/44/39/1038494439.db2.gz FQOXMGXUPSFUSF-UHFFFAOYSA-N 1 2 319.246 4.255 20 30 DIEDLO C#CC[N@@H+](Cc1csc([C@@H](C)OCC)n1)C1CCCCC1 ZINC000076723053 1038853330 /nfs/dbraw/zinc/85/33/30/1038853330.db2.gz NJCJXOWJAGMBAX-CQSZACIVSA-N 1 2 306.475 4.009 20 30 DIEDLO C#CC[N@H+](Cc1csc([C@@H](C)OCC)n1)C1CCCCC1 ZINC000076723053 1038853351 /nfs/dbraw/zinc/85/33/51/1038853351.db2.gz NJCJXOWJAGMBAX-CQSZACIVSA-N 1 2 306.475 4.009 20 30 DIEDLO N#Cc1cccc(Cl)c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000078264655 1038906776 /nfs/dbraw/zinc/90/67/76/1038906776.db2.gz IGBSKBLHIKLZCW-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO Cc1cc(N[C@H](CCCC#N)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000431503745 1039013163 /nfs/dbraw/zinc/01/31/63/1039013163.db2.gz XVUUOYUHTCVMAV-QGZVFWFLSA-N 1 2 308.429 4.756 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728541708 1039123914 /nfs/dbraw/zinc/12/39/14/1039123914.db2.gz IWAPJKCFHGUCFO-QGZVFWFLSA-N 1 2 305.466 4.187 20 30 DIEDLO Cc1cccc(CCCNc2ccc(C(F)(F)F)c(C#N)c2)[nH+]1 ZINC000343238139 1039333667 /nfs/dbraw/zinc/33/36/67/1039333667.db2.gz MKJITPYYINEHHI-UHFFFAOYSA-N 1 2 319.330 4.325 20 30 DIEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nc(C(C)(C)C)cs1 ZINC000541661585 1039726647 /nfs/dbraw/zinc/72/66/47/1039726647.db2.gz RDWADHAIDNVBEQ-LLVKDONJSA-N 1 2 317.433 4.302 20 30 DIEDLO C[C@@H]([NH2+][C@H](c1nccs1)c1ccccc1)c1ccc(C#N)cc1 ZINC000118395171 1039740841 /nfs/dbraw/zinc/74/08/41/1039740841.db2.gz ISLTWSLVNWILHP-KDOFPFPSSA-N 1 2 319.433 4.455 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(Cl)c1F ZINC000162237190 1039987141 /nfs/dbraw/zinc/98/71/41/1039987141.db2.gz PDXKBIMOACUUHN-UHFFFAOYSA-N 1 2 319.767 4.169 20 30 DIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000612406436 1040584620 /nfs/dbraw/zinc/58/46/20/1040584620.db2.gz MCMIUDYUXKXRFX-SFHVURJKSA-N 1 2 316.351 4.350 20 30 DIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000612406436 1040584631 /nfs/dbraw/zinc/58/46/31/1040584631.db2.gz MCMIUDYUXKXRFX-SFHVURJKSA-N 1 2 316.351 4.350 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(Cl)ccc1F ZINC000162252493 1040622567 /nfs/dbraw/zinc/62/25/67/1040622567.db2.gz OUMLZELXOBIIQX-UHFFFAOYSA-N 1 2 319.767 4.169 20 30 DIEDLO COc1ccc2cc(N[C@@H](C)c3cccc(C#N)c3)[nH+]cc2c1 ZINC001167707173 1041267377 /nfs/dbraw/zinc/26/73/77/1041267377.db2.gz HZKVRHYGIWFYNU-ZDUSSCGKSA-N 1 2 303.365 4.288 20 30 DIEDLO Oc1ccc2ccccc2c1/C=[NH+]\C[C@H]1COc2ccccc2C1 ZINC000747712544 1041514546 /nfs/dbraw/zinc/51/45/46/1041514546.db2.gz BCTUZNLPDNEIHX-PXNCGERRSA-N 1 2 317.388 4.216 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1 ZINC000811517354 1041528535 /nfs/dbraw/zinc/52/85/35/1041528535.db2.gz PJLVRWPWCCXGCD-GOSISDBHSA-N 1 2 321.811 4.194 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000811516227 1041534231 /nfs/dbraw/zinc/53/42/31/1041534231.db2.gz HAXVLSBWLWKWOV-CQSZACIVSA-N 1 2 324.182 4.302 20 30 DIEDLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)nc2ccccc12 ZINC000566790847 1041805097 /nfs/dbraw/zinc/80/50/97/1041805097.db2.gz YJFMLCHUBRQBPH-HNNXBMFYSA-N 1 2 316.408 4.003 20 30 DIEDLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)nc2ccccc12 ZINC000566790847 1041805102 /nfs/dbraw/zinc/80/51/02/1041805102.db2.gz YJFMLCHUBRQBPH-HNNXBMFYSA-N 1 2 316.408 4.003 20 30 DIEDLO CCOc1ccc(NN=C(C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000814984970 1041901721 /nfs/dbraw/zinc/90/17/21/1041901721.db2.gz NKIJNUGXLGSKRJ-UHFFFAOYSA-N 1 2 320.396 4.107 20 30 DIEDLO CCOc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)cc1 ZINC000814985605 1041902104 /nfs/dbraw/zinc/90/21/04/1041902104.db2.gz LVBDPJQYDXULKS-UHFFFAOYSA-N 1 2 313.401 4.115 20 30 DIEDLO C=CC[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C)COC ZINC000661248952 1041910781 /nfs/dbraw/zinc/91/07/81/1041910781.db2.gz XBAMNCLGHAWHQW-ZDUSSCGKSA-N 1 2 320.820 4.018 20 30 DIEDLO C=CC[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C)COC ZINC000661248952 1041910789 /nfs/dbraw/zinc/91/07/89/1041910789.db2.gz XBAMNCLGHAWHQW-ZDUSSCGKSA-N 1 2 320.820 4.018 20 30 DIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CCC2)CC1 ZINC000308744573 1041966466 /nfs/dbraw/zinc/96/64/66/1041966466.db2.gz UHINWYBRJTZMLW-UHFFFAOYSA-N 1 2 319.246 4.087 20 30 DIEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1COCC ZINC000820619301 1042221663 /nfs/dbraw/zinc/22/16/63/1042221663.db2.gz HUNQOZRIWXBXJS-UHFFFAOYSA-N 1 2 324.424 4.022 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1F ZINC000585763796 1042244149 /nfs/dbraw/zinc/24/41/49/1042244149.db2.gz GOHGEARQUQMKEY-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1F ZINC000585763796 1042244153 /nfs/dbraw/zinc/24/41/53/1042244153.db2.gz GOHGEARQUQMKEY-UHFFFAOYSA-N 1 2 308.809 4.434 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCc2sccc2C1 ZINC000614167320 1042419806 /nfs/dbraw/zinc/41/98/06/1042419806.db2.gz PIUNPKGPMDWEQI-UHFFFAOYSA-N 1 2 302.830 4.222 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCc2sccc2C1 ZINC000614167320 1042419809 /nfs/dbraw/zinc/41/98/09/1042419809.db2.gz PIUNPKGPMDWEQI-UHFFFAOYSA-N 1 2 302.830 4.222 20 30 DIEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000419332438 1042471172 /nfs/dbraw/zinc/47/11/72/1042471172.db2.gz HUXYBSGFHJORIB-CYBMUJFWSA-N 1 2 321.380 4.195 20 30 DIEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccco1 ZINC000151121386 1042499937 /nfs/dbraw/zinc/49/99/37/1042499937.db2.gz DHRNZZGFMJYVOP-HXUWFJFHSA-N 1 2 318.376 4.039 20 30 DIEDLO COc1ccccc1[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccco1 ZINC000151126709 1042499999 /nfs/dbraw/zinc/49/99/99/1042499999.db2.gz JTIRHHKYQMLDLD-SFHVURJKSA-N 1 2 324.405 4.101 20 30 DIEDLO Cc1cccc(C[N@H+](Cc2ccc(C#N)o2)Cc2ccccn2)c1 ZINC000093086592 1042718832 /nfs/dbraw/zinc/71/88/32/1042718832.db2.gz NLHMHGHYCMDHKF-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Cc1cccc(C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccn2)c1 ZINC000093086592 1042718836 /nfs/dbraw/zinc/71/88/36/1042718836.db2.gz NLHMHGHYCMDHKF-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000515080863 1042807425 /nfs/dbraw/zinc/80/74/25/1042807425.db2.gz NITNXOYHYLAOIP-UHFFFAOYSA-N 1 2 300.764 4.130 20 30 DIEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@H](C)c1cccc(C#N)c1)CC3 ZINC000614523366 1042965296 /nfs/dbraw/zinc/96/52/96/1042965296.db2.gz UHAQORCOSIQTJA-OAHLLOKOSA-N 1 2 315.420 4.467 20 30 DIEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@H](C)c1cccc(C#N)c1)CC3 ZINC000614523366 1042965298 /nfs/dbraw/zinc/96/52/98/1042965298.db2.gz UHAQORCOSIQTJA-OAHLLOKOSA-N 1 2 315.420 4.467 20 30 DIEDLO Cc1cc(C)c(NC(=O)[C@@H]2CCC(=O)c3ccccc32)c(C)[nH+]1 ZINC000328856891 1043080105 /nfs/dbraw/zinc/08/01/05/1043080105.db2.gz XNHVTUFTQGRKCB-MRXNPFEDSA-N 1 2 308.381 4.355 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccc(C(F)(F)F)c1 ZINC000178941351 1043103148 /nfs/dbraw/zinc/10/31/48/1043103148.db2.gz URFSFMXRNOAMGG-BQYQJAHWSA-N 1 2 316.282 4.249 20 30 DIEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(OC)cc1 ZINC000866216035 1043160980 /nfs/dbraw/zinc/16/09/80/1043160980.db2.gz PROZZWLHSFKRHG-ACJLOTCBSA-N 1 2 310.397 4.074 20 30 DIEDLO CCCOCc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866239797 1043164414 /nfs/dbraw/zinc/16/44/14/1043164414.db2.gz VCZYJBXHJXGDBV-OAHLLOKOSA-N 1 2 324.424 4.041 20 30 DIEDLO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866249831 1043165615 /nfs/dbraw/zinc/16/56/15/1043165615.db2.gz ONXHOUHQSWCDRB-KBPBESRZSA-N 1 2 310.397 4.074 20 30 DIEDLO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866354318 1043185833 /nfs/dbraw/zinc/18/58/33/1043185833.db2.gz NEAMHWCRGGQMBN-CHWSQXEVSA-N 1 2 312.438 4.398 20 30 DIEDLO CCSc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866364422 1043190160 /nfs/dbraw/zinc/19/01/60/1043190160.db2.gz OQEWEFIANSHWHL-ZDUSSCGKSA-N 1 2 312.438 4.227 20 30 DIEDLO N#CC1(C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000343296938 1043197966 /nfs/dbraw/zinc/19/79/66/1043197966.db2.gz AEDMKTWAPCQZLM-UHFFFAOYSA-N 1 2 306.331 4.098 20 30 DIEDLO N#CC1(C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000343296938 1043197974 /nfs/dbraw/zinc/19/79/74/1043197974.db2.gz AEDMKTWAPCQZLM-UHFFFAOYSA-N 1 2 306.331 4.098 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C2CCCCC2)no1)c1ccc(C#N)cc1 ZINC000185252289 1043198388 /nfs/dbraw/zinc/19/83/88/1043198388.db2.gz NCJGPYMZGBUIQJ-KGLIPLIRSA-N 1 2 324.428 4.401 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1nc(C)c(C)s1)c1ccc(F)c(F)c1 ZINC000187788785 1043250487 /nfs/dbraw/zinc/25/04/87/1043250487.db2.gz VTIBBPWXJYOZFR-INIZCTEOSA-N 1 2 308.397 4.445 20 30 DIEDLO CC(=[NH+]Nc1ccccc1OC(F)(F)F)c1ccc(N)cc1C ZINC000777452624 1043255649 /nfs/dbraw/zinc/25/56/49/1043255649.db2.gz YPPBITDVRARSNA-UHFFFAOYSA-N 1 2 323.318 4.312 20 30 DIEDLO C[C@@H](Nc1cccc(OCCCC#N)c1)c1cn2c([nH+]1)CCCC2 ZINC000925755643 1043465351 /nfs/dbraw/zinc/46/53/51/1043465351.db2.gz PCIRZWVZNZEHFZ-OAHLLOKOSA-N 1 2 324.428 4.075 20 30 DIEDLO C[C@@H](CC(C)(C)C#N)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000925939100 1043496723 /nfs/dbraw/zinc/49/67/23/1043496723.db2.gz BINOTQJUTDMUHQ-HNNXBMFYSA-N 1 2 320.440 4.342 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cccc(C#N)c1O ZINC000926183662 1043540691 /nfs/dbraw/zinc/54/06/91/1043540691.db2.gz OHKKEUAHHXRJGG-INIZCTEOSA-N 1 2 316.351 4.442 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H](C)c1cc(OC)ccn1)c1ccc(F)c(F)c1 ZINC000926206527 1043547260 /nfs/dbraw/zinc/54/72/60/1043547260.db2.gz NJRDRZCCPNSRRN-XIKOKIGWSA-N 1 2 318.367 4.336 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)nn(C(C)(C)C)c1C ZINC000353414324 1043606237 /nfs/dbraw/zinc/60/62/37/1043606237.db2.gz ALVXJNQPQKLINB-UHFFFAOYSA-N 1 2 318.509 4.407 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)nn(C(C)(C)C)c1C ZINC000353414324 1043606247 /nfs/dbraw/zinc/60/62/47/1043606247.db2.gz ALVXJNQPQKLINB-UHFFFAOYSA-N 1 2 318.509 4.407 20 30 DIEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000353418137 1043606648 /nfs/dbraw/zinc/60/66/48/1043606648.db2.gz ZUTPCTBCZLXLGU-UHFFFAOYSA-N 1 2 304.482 4.017 20 30 DIEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000353418137 1043606652 /nfs/dbraw/zinc/60/66/52/1043606652.db2.gz ZUTPCTBCZLXLGU-UHFFFAOYSA-N 1 2 304.482 4.017 20 30 DIEDLO CCc1ccc([C@@H]([NH2+]CC2(C#N)CCC2)c2cccnc2)cc1 ZINC000926624025 1043607911 /nfs/dbraw/zinc/60/79/11/1043607911.db2.gz GOOXMLHXGSSOQC-LJQANCHMSA-N 1 2 305.425 4.017 20 30 DIEDLO Cc1cc(C)cc([C@@H]([NH2+]CC2(C#N)CCC2)c2cccnc2)c1 ZINC000926627006 1043609447 /nfs/dbraw/zinc/60/94/47/1043609447.db2.gz MXYOGNUITZDSAF-IBGZPJMESA-N 1 2 305.425 4.071 20 30 DIEDLO N#CC1(C[NH2+][C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000926874946 1043646099 /nfs/dbraw/zinc/64/60/99/1043646099.db2.gz VLKBLINLYMHIOO-MRXNPFEDSA-N 1 2 300.789 4.110 20 30 DIEDLO N#CC1(C[NH2+][C@H](Cc2cccc(F)c2Cl)c2ccco2)CC1 ZINC000926875260 1043646802 /nfs/dbraw/zinc/64/68/02/1043646802.db2.gz XHPDVYGGOUSUPH-CQSZACIVSA-N 1 2 318.779 4.249 20 30 DIEDLO C[N@@H+]1CCCc2cc(N[C@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000777653624 1043728152 /nfs/dbraw/zinc/72/81/52/1043728152.db2.gz OUGMINOBEZJVAK-FQEVSTJZSA-N 1 2 317.436 4.430 20 30 DIEDLO C[N@H+]1CCCc2cc(N[C@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000777653624 1043728164 /nfs/dbraw/zinc/72/81/64/1043728164.db2.gz OUGMINOBEZJVAK-FQEVSTJZSA-N 1 2 317.436 4.430 20 30 DIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877313047 1043755423 /nfs/dbraw/zinc/75/54/23/1043755423.db2.gz PMCIBQIDZBDDSJ-HNNXBMFYSA-N 1 2 305.834 4.075 20 30 DIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877313047 1043755429 /nfs/dbraw/zinc/75/54/29/1043755429.db2.gz PMCIBQIDZBDDSJ-HNNXBMFYSA-N 1 2 305.834 4.075 20 30 DIEDLO C=CCC[C@H]([NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1)C1CC1 ZINC000777697315 1043764414 /nfs/dbraw/zinc/76/44/14/1043764414.db2.gz XWHQHOPVCVSDKI-KXBFYZLASA-N 1 2 300.446 4.068 20 30 DIEDLO CC[N@H+](Cc1nc(C#N)cs1)[C@@H](C)c1cc2ccccc2o1 ZINC000356048309 1043804794 /nfs/dbraw/zinc/80/47/94/1043804794.db2.gz CBTQBFBXNZMWBS-LBPRGKRZSA-N 1 2 311.410 4.344 20 30 DIEDLO CC[N@@H+](Cc1nc(C#N)cs1)[C@@H](C)c1cc2ccccc2o1 ZINC000356048309 1043804815 /nfs/dbraw/zinc/80/48/15/1043804815.db2.gz CBTQBFBXNZMWBS-LBPRGKRZSA-N 1 2 311.410 4.344 20 30 DIEDLO CC(C)(C)c1ccc(CC[N@H+](CCC#N)Cc2cccnc2)cc1 ZINC000356081148 1043807978 /nfs/dbraw/zinc/80/79/78/1043807978.db2.gz FQEAYEBTMXGUOF-UHFFFAOYSA-N 1 2 321.468 4.337 20 30 DIEDLO CC(C)(C)c1ccc(CC[N@@H+](CCC#N)Cc2cccnc2)cc1 ZINC000356081148 1043807998 /nfs/dbraw/zinc/80/79/98/1043807998.db2.gz FQEAYEBTMXGUOF-UHFFFAOYSA-N 1 2 321.468 4.337 20 30 DIEDLO CC[N@H+](Cc1coc(C(C)(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000929332062 1043812228 /nfs/dbraw/zinc/81/22/28/1043812228.db2.gz YVWSSFARWYDQMH-CQSZACIVSA-N 1 2 311.429 4.427 20 30 DIEDLO CC[N@@H+](Cc1coc(C(C)(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000929332062 1043812250 /nfs/dbraw/zinc/81/22/50/1043812250.db2.gz YVWSSFARWYDQMH-CQSZACIVSA-N 1 2 311.429 4.427 20 30 DIEDLO CC1(C)Cc2nc(C[NH+]3CCC(C#N)CC3)sc2C(C)(C)C1 ZINC000929415410 1043817409 /nfs/dbraw/zinc/81/74/09/1043817409.db2.gz QADZLOCMEPVUKX-UHFFFAOYSA-N 1 2 317.502 4.129 20 30 DIEDLO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000826003772 1043819551 /nfs/dbraw/zinc/81/95/51/1043819551.db2.gz VVSJSLWKYUVGCL-MSOLQXFVSA-N 1 2 319.493 4.433 20 30 DIEDLO CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000826003775 1043819857 /nfs/dbraw/zinc/81/98/57/1043819857.db2.gz VVSJSLWKYUVGCL-ZWKOTPCHSA-N 1 2 319.493 4.433 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)CCC1 ZINC000929488363 1043823795 /nfs/dbraw/zinc/82/37/95/1043823795.db2.gz NIKNPXFMVYJHCE-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)CCC1 ZINC000929488363 1043823816 /nfs/dbraw/zinc/82/38/16/1043823816.db2.gz NIKNPXFMVYJHCE-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO CCc1ccc([C@H]2COCC[N@@H+]2CCCCC2(C#N)CCC2)o1 ZINC000929676640 1043833358 /nfs/dbraw/zinc/83/33/58/1043833358.db2.gz UMGFGVJDMKGTAH-QGZVFWFLSA-N 1 2 316.445 4.079 20 30 DIEDLO CCc1ccc([C@H]2COCC[N@H+]2CCCCC2(C#N)CCC2)o1 ZINC000929676640 1043833374 /nfs/dbraw/zinc/83/33/74/1043833374.db2.gz UMGFGVJDMKGTAH-QGZVFWFLSA-N 1 2 316.445 4.079 20 30 DIEDLO C=CC[N@@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C1CC1 ZINC000357533777 1043960214 /nfs/dbraw/zinc/96/02/14/1043960214.db2.gz XXVDXMVYJWPCON-UHFFFAOYSA-N 1 2 324.211 4.194 20 30 DIEDLO C=CC[N@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C1CC1 ZINC000357533777 1043960223 /nfs/dbraw/zinc/96/02/23/1043960223.db2.gz XXVDXMVYJWPCON-UHFFFAOYSA-N 1 2 324.211 4.194 20 30 DIEDLO CC[C@H](CC#N)[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000358254316 1044044181 /nfs/dbraw/zinc/04/41/81/1044044181.db2.gz KDKZUZLQFVHPSY-GOSISDBHSA-N 1 2 322.456 4.007 20 30 DIEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(Cl)cc(Cl)c1F ZINC000932570071 1044144428 /nfs/dbraw/zinc/14/44/28/1044144428.db2.gz CMHGSNRNRRMEQY-VHSXEESVSA-N 1 2 314.191 4.227 20 30 DIEDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000346834157 1044160792 /nfs/dbraw/zinc/16/07/92/1044160792.db2.gz KVCPBAZTANPMJB-LLVKDONJSA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000346834157 1044160799 /nfs/dbraw/zinc/16/07/99/1044160799.db2.gz KVCPBAZTANPMJB-LLVKDONJSA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000347153487 1044202111 /nfs/dbraw/zinc/20/21/11/1044202111.db2.gz ARIPJEBBZWBOGC-FZKQIMNGSA-N 1 2 311.816 4.190 20 30 DIEDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000347153487 1044202112 /nfs/dbraw/zinc/20/21/12/1044202112.db2.gz ARIPJEBBZWBOGC-FZKQIMNGSA-N 1 2 311.816 4.190 20 30 DIEDLO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1F)c1ccc(C#N)cc1F ZINC000883376204 1044289158 /nfs/dbraw/zinc/28/91/58/1044289158.db2.gz GETWVZUDLXVSEW-KHDYIWLOSA-N 1 2 312.363 4.374 20 30 DIEDLO Cc1cccc(CCCNc2cccc(C(F)F)c2C#N)[nH+]1 ZINC000565226227 1044421105 /nfs/dbraw/zinc/42/11/05/1044421105.db2.gz LLVCBPNVYPZLGA-UHFFFAOYSA-N 1 2 301.340 4.244 20 30 DIEDLO N#CC(CC[N@H+]1CCC=C(F)C1)(c1ccccc1)c1ccccc1 ZINC000444680443 1044601002 /nfs/dbraw/zinc/60/10/02/1044601002.db2.gz PCZYPRGIJXVSCR-UHFFFAOYSA-N 1 2 320.411 4.445 20 30 DIEDLO N#CC(CC[N@@H+]1CCC=C(F)C1)(c1ccccc1)c1ccccc1 ZINC000444680443 1044601011 /nfs/dbraw/zinc/60/10/11/1044601011.db2.gz PCZYPRGIJXVSCR-UHFFFAOYSA-N 1 2 320.411 4.445 20 30 DIEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000568182530 1044607838 /nfs/dbraw/zinc/60/78/38/1044607838.db2.gz RTTDGUGYZPLDSA-OAHLLOKOSA-N 1 2 315.461 4.154 20 30 DIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccccc3C#N)[C@@H](C)CO2)c1 ZINC000524758713 1044917676 /nfs/dbraw/zinc/91/76/76/1044917676.db2.gz XXKISDWYNMCERS-LAUBAEHRSA-N 1 2 320.436 4.137 20 30 DIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccccc3C#N)[C@@H](C)CO2)c1 ZINC000524758713 1044917681 /nfs/dbraw/zinc/91/76/81/1044917681.db2.gz XXKISDWYNMCERS-LAUBAEHRSA-N 1 2 320.436 4.137 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)s1 ZINC000374283183 1045044524 /nfs/dbraw/zinc/04/45/24/1045044524.db2.gz LLZZEQVMUDADFI-INIZCTEOSA-N 1 2 323.421 4.488 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)s1 ZINC000374283183 1045044528 /nfs/dbraw/zinc/04/45/28/1045044528.db2.gz LLZZEQVMUDADFI-INIZCTEOSA-N 1 2 323.421 4.488 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1F ZINC000576252752 1045046449 /nfs/dbraw/zinc/04/64/49/1045046449.db2.gz AIYBPCDOSKBHBQ-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1F ZINC000576252752 1045046461 /nfs/dbraw/zinc/04/64/61/1045046461.db2.gz AIYBPCDOSKBHBQ-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO Cc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1Cl ZINC000446970729 1045081486 /nfs/dbraw/zinc/08/14/86/1045081486.db2.gz GGRYIZBUJQDZFN-UHFFFAOYSA-N 1 2 315.804 4.338 20 30 DIEDLO CCCc1nc(C[N@@H+](CCC)Cc2ccc(C#N)cc2)cs1 ZINC000047740707 1045088560 /nfs/dbraw/zinc/08/85/60/1045088560.db2.gz ZGJGFGVQLRRZEF-UHFFFAOYSA-N 1 2 313.470 4.379 20 30 DIEDLO CCCc1nc(C[N@H+](CCC)Cc2ccc(C#N)cc2)cs1 ZINC000047740707 1045088571 /nfs/dbraw/zinc/08/85/71/1045088571.db2.gz ZGJGFGVQLRRZEF-UHFFFAOYSA-N 1 2 313.470 4.379 20 30 DIEDLO C=CC[N@@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccccc1 ZINC000447737916 1045173433 /nfs/dbraw/zinc/17/34/33/1045173433.db2.gz DGAYUDFZOVKCJS-UHFFFAOYSA-N 1 2 312.360 4.350 20 30 DIEDLO C=CC[N@H+](Cc1cnc(C(F)(F)F)s1)Cc1ccccc1 ZINC000447737916 1045173445 /nfs/dbraw/zinc/17/34/45/1045173445.db2.gz DGAYUDFZOVKCJS-UHFFFAOYSA-N 1 2 312.360 4.350 20 30 DIEDLO CC[C@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1cccc(C#N)c1O ZINC000924888023 1045208213 /nfs/dbraw/zinc/20/82/13/1045208213.db2.gz VOBFOQFLFVOUPW-ZWKOTPCHSA-N 1 2 322.408 4.137 20 30 DIEDLO C=C(Cl)C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000779106081 1045283927 /nfs/dbraw/zinc/28/39/27/1045283927.db2.gz LMPBWFKMUVDPFH-QGZVFWFLSA-N 1 2 305.780 4.266 20 30 DIEDLO N#CC1(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)CCC1 ZINC000450214080 1045475998 /nfs/dbraw/zinc/47/59/98/1045475998.db2.gz XKAMHHDLRCNBLG-MRXNPFEDSA-N 1 2 314.479 4.451 20 30 DIEDLO N#CC1(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)CCC1 ZINC000450214080 1045476001 /nfs/dbraw/zinc/47/60/01/1045476001.db2.gz XKAMHHDLRCNBLG-MRXNPFEDSA-N 1 2 314.479 4.451 20 30 DIEDLO CC(C)c1ccc(CC[N@H+](CCC#N)Cc2ccccn2)cc1 ZINC000121368944 1045573809 /nfs/dbraw/zinc/57/38/09/1045573809.db2.gz ILPGLEUKBROQSI-UHFFFAOYSA-N 1 2 307.441 4.163 20 30 DIEDLO CC(C)c1ccc(CC[N@@H+](CCC#N)Cc2ccccn2)cc1 ZINC000121368944 1045573820 /nfs/dbraw/zinc/57/38/20/1045573820.db2.gz ILPGLEUKBROQSI-UHFFFAOYSA-N 1 2 307.441 4.163 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1sc(C(C)C)nc1C ZINC000751134546 1045585132 /nfs/dbraw/zinc/58/51/32/1045585132.db2.gz ZHCHBXMDHBVHOZ-UHFFFAOYSA-N 1 2 324.453 4.381 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000751410167 1045605513 /nfs/dbraw/zinc/60/55/13/1045605513.db2.gz GEBGDITUMQRFAE-UHFFFAOYSA-N 1 2 305.466 4.256 20 30 DIEDLO CCCCCCCCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751779001 1045634645 /nfs/dbraw/zinc/63/46/45/1045634645.db2.gz GAGJPNGBSHUSAI-UHFFFAOYSA-N 1 2 320.481 4.049 20 30 DIEDLO CCCCCCCCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000751779001 1045634659 /nfs/dbraw/zinc/63/46/59/1045634659.db2.gz GAGJPNGBSHUSAI-UHFFFAOYSA-N 1 2 320.481 4.049 20 30 DIEDLO CC(C)n1cncc1/C=C1\CC/C(=C/c2c[nH+]cn2C(C)C)C1=O ZINC000901417894 1045728658 /nfs/dbraw/zinc/72/86/58/1045728658.db2.gz WSCWTMKQLDUYHD-BSHIDLADSA-N 1 2 324.428 4.071 20 30 DIEDLO CC(C)n1cncc1/C=C1/CC/C(=C\c2c[nH+]cn2C(C)C)C1=O ZINC000901417894 1045728669 /nfs/dbraw/zinc/72/86/69/1045728669.db2.gz WSCWTMKQLDUYHD-BSHIDLADSA-N 1 2 324.428 4.071 20 30 DIEDLO COc1ccc(Cl)cc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901453365 1045737675 /nfs/dbraw/zinc/73/76/75/1045737675.db2.gz QORRAGAEBVATJZ-WAYWQWQTSA-N 1 2 304.777 4.022 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2[nH]c3ccc(F)cc3c2C1=O ZINC000901453672 1045738337 /nfs/dbraw/zinc/73/83/37/1045738337.db2.gz MOLKREDJFRVORY-GHXNOFRVSA-N 1 2 323.371 4.297 20 30 DIEDLO COc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)ccc1SC ZINC000901465992 1045741393 /nfs/dbraw/zinc/74/13/93/1045741393.db2.gz HDBSDDJYMKTPGR-VOTSOKGWSA-N 1 2 316.426 4.091 20 30 DIEDLO Cc1[nH]c(/C=C2\CCOc3c(Cl)cc(C)cc3C2=O)[nH+]c1C ZINC000901485620 1045746997 /nfs/dbraw/zinc/74/69/97/1045746997.db2.gz MKMUKQHFZXJPJQ-XYOKQWHBSA-N 1 2 316.788 4.037 20 30 DIEDLO COc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c(Cl)c1 ZINC000901524183 1045757251 /nfs/dbraw/zinc/75/72/51/1045757251.db2.gz HYKFHPLGXUPWSZ-DAXSKMNVSA-N 1 2 304.777 4.022 20 30 DIEDLO CCCCCCCC[C@@H](C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000831209435 1046124960 /nfs/dbraw/zinc/12/49/60/1046124960.db2.gz IBIMHRPOKCHRRU-IAGOWNOFSA-N 1 2 319.493 4.123 20 30 DIEDLO O=C1c2ccsc2CC/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783706026 1046184308 /nfs/dbraw/zinc/18/43/08/1046184308.db2.gz GDSLFJJNTBAZLV-XFFZJAGNSA-N 1 2 312.419 4.208 20 30 DIEDLO C#CCOc1ccc(C[N@@H+]2CCc3c4ccccc4oc3C2)cc1 ZINC001138560490 1046225812 /nfs/dbraw/zinc/22/58/12/1046225812.db2.gz XKBZHFKVNNAYCC-UHFFFAOYSA-N 1 2 317.388 4.003 20 30 DIEDLO C#CCOc1ccc(C[N@H+]2CCc3c4ccccc4oc3C2)cc1 ZINC001138560490 1046225824 /nfs/dbraw/zinc/22/58/24/1046225824.db2.gz XKBZHFKVNNAYCC-UHFFFAOYSA-N 1 2 317.388 4.003 20 30 DIEDLO CC[N@H+](CCC#N)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000127600845 1046293830 /nfs/dbraw/zinc/29/38/30/1046293830.db2.gz NKUCZYZZWUSABA-UHFFFAOYSA-N 1 2 311.212 4.005 20 30 DIEDLO CC[N@@H+](CCC#N)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000127600845 1046293842 /nfs/dbraw/zinc/29/38/42/1046293842.db2.gz NKUCZYZZWUSABA-UHFFFAOYSA-N 1 2 311.212 4.005 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(-c2ccccc2)ccc1OC ZINC001139069895 1046379525 /nfs/dbraw/zinc/37/95/25/1046379525.db2.gz BYTNOMILWZVCHA-UHFFFAOYSA-N 1 2 308.425 4.488 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(-c2ccccc2)ccc1OC ZINC001139069895 1046379537 /nfs/dbraw/zinc/37/95/37/1046379537.db2.gz BYTNOMILWZVCHA-UHFFFAOYSA-N 1 2 308.425 4.488 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc2cccnc2c1 ZINC001139164783 1046400051 /nfs/dbraw/zinc/40/00/51/1046400051.db2.gz QRZODNOYDSKZCS-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc2cccnc2c1 ZINC001139164783 1046400059 /nfs/dbraw/zinc/40/00/59/1046400059.db2.gz QRZODNOYDSKZCS-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3/CSc4ccc(F)cc4C3=O)n21 ZINC000748999207 1046421736 /nfs/dbraw/zinc/42/17/36/1046421736.db2.gz PPMWAAMQZZRMMF-GHXNOFRVSA-N 1 2 324.380 4.154 20 30 DIEDLO N#CCC1CC[NH+](Cn2c(=S)oc3ccc(Cl)cc32)CC1 ZINC000781571516 1046457436 /nfs/dbraw/zinc/45/74/36/1046457436.db2.gz JUGQTEFANQEZTJ-UHFFFAOYSA-N 1 2 321.833 4.200 20 30 DIEDLO Cc1csc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1Cl ZINC001137287253 1046467203 /nfs/dbraw/zinc/46/72/03/1046467203.db2.gz DQDLXOGLTNZRPA-UHFFFAOYSA-N 1 2 302.830 4.140 20 30 DIEDLO Cc1csc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1Cl ZINC001137287253 1046467205 /nfs/dbraw/zinc/46/72/05/1046467205.db2.gz DQDLXOGLTNZRPA-UHFFFAOYSA-N 1 2 302.830 4.140 20 30 DIEDLO C=C(Cl)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134465378 1046547799 /nfs/dbraw/zinc/54/77/99/1046547799.db2.gz FGOMQDIXWQUNLE-VIFPVBQESA-N 1 2 310.772 4.094 20 30 DIEDLO C=C(Cl)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134465378 1046547812 /nfs/dbraw/zinc/54/78/12/1046547812.db2.gz FGOMQDIXWQUNLE-VIFPVBQESA-N 1 2 310.772 4.094 20 30 DIEDLO N#CCC[N@@H+](Cc1cc(O)ccc1F)C1CCCCCCC1 ZINC001140047821 1046576394 /nfs/dbraw/zinc/57/63/94/1046576394.db2.gz OJLWTHYQMPOHHO-UHFFFAOYSA-N 1 2 304.409 4.360 20 30 DIEDLO N#CCC[N@H+](Cc1cc(O)ccc1F)C1CCCCCCC1 ZINC001140047821 1046576402 /nfs/dbraw/zinc/57/64/02/1046576402.db2.gz OJLWTHYQMPOHHO-UHFFFAOYSA-N 1 2 304.409 4.360 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)c(F)c1 ZINC001140137352 1046598401 /nfs/dbraw/zinc/59/84/01/1046598401.db2.gz DLICUJOUFPGPNA-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)c(F)c1 ZINC001140137352 1046598406 /nfs/dbraw/zinc/59/84/06/1046598406.db2.gz DLICUJOUFPGPNA-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO COc1ccc(C)cc1C(=O)/C=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783700424 1046623958 /nfs/dbraw/zinc/62/39/58/1046623958.db2.gz DPTLAJNUMMIGEP-PLNGDYQASA-N 1 2 324.405 4.147 20 30 DIEDLO CCOc1cccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783707095 1046625034 /nfs/dbraw/zinc/62/50/34/1046625034.db2.gz FPWHZUHSULYYGY-VOTSOKGWSA-N 1 2 324.405 4.229 20 30 DIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1c[nH]c2ccccc21 ZINC000783707671 1046625274 /nfs/dbraw/zinc/62/52/74/1046625274.db2.gz WUNFDZNDABNDEV-WAYWQWQTSA-N 1 2 319.389 4.311 20 30 DIEDLO CC1(C)c2ccccc2C(=O)/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783708236 1046625664 /nfs/dbraw/zinc/62/56/64/1046625664.db2.gz OSBGTTFDDJGFNF-LICLKQGHSA-N 1 2 320.417 4.491 20 30 DIEDLO Cc1ccc2c(c1)C/C(=C/c1cc(-n3cc[nH+]c3)cs1)C2=O ZINC000783707367 1046625713 /nfs/dbraw/zinc/62/57/13/1046625713.db2.gz IAQKFFOLIPIATB-ZSOIEALJSA-N 1 2 306.390 4.065 20 30 DIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000784453184 1046690550 /nfs/dbraw/zinc/69/05/50/1046690550.db2.gz CCKDWCDZVVYPMM-AWEZNQCLSA-N 1 2 314.376 4.424 20 30 DIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000784453184 1046690553 /nfs/dbraw/zinc/69/05/53/1046690553.db2.gz CCKDWCDZVVYPMM-AWEZNQCLSA-N 1 2 314.376 4.424 20 30 DIEDLO C=CCN(Cc1cccs1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455476603 1046769191 /nfs/dbraw/zinc/76/91/91/1046769191.db2.gz LPXHEVAICSRHIY-UHFFFAOYSA-N 1 2 315.442 4.288 20 30 DIEDLO Cc1cc(C)c(NC(=O)N[C@@H](CCC#N)c2ccccc2)c(C)[nH+]1 ZINC000455501341 1046777292 /nfs/dbraw/zinc/77/72/92/1046777292.db2.gz UJWRHQQKGFXIQB-KRWDZBQOSA-N 1 2 322.412 4.173 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c(O)c(Cl)c1 ZINC001140832423 1046921095 /nfs/dbraw/zinc/92/10/95/1046921095.db2.gz ZGXBBJGZCCUPEF-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c(O)c(Cl)c1 ZINC001140832423 1046921108 /nfs/dbraw/zinc/92/11/08/1046921108.db2.gz ZGXBBJGZCCUPEF-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cccc(-c2ccc(OC)cc2)n1 ZINC001140958642 1046961946 /nfs/dbraw/zinc/96/19/46/1046961946.db2.gz VMMLNAATRNWDMW-UHFFFAOYSA-N 1 2 323.440 4.273 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cccc(-c2ccc(OC)cc2)n1 ZINC001140958642 1046961949 /nfs/dbraw/zinc/96/19/49/1046961949.db2.gz VMMLNAATRNWDMW-UHFFFAOYSA-N 1 2 323.440 4.273 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001141106633 1047016263 /nfs/dbraw/zinc/01/62/63/1047016263.db2.gz HRONFWNTGVAHAH-UHFFFAOYSA-N 1 2 324.268 4.460 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001141106633 1047016278 /nfs/dbraw/zinc/01/62/78/1047016278.db2.gz HRONFWNTGVAHAH-UHFFFAOYSA-N 1 2 324.268 4.460 20 30 DIEDLO N#C[C@H]1CC[C@H]([NH2+]c2ccc(N3CCc4sccc4C3)cc2)C1 ZINC000799724299 1047057312 /nfs/dbraw/zinc/05/73/12/1047057312.db2.gz KJBCZWXQYLRCAU-YOEHRIQHSA-N 1 2 323.465 4.415 20 30 DIEDLO N#C[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCc4sccc4C3)cc2)C1 ZINC000799724297 1047058134 /nfs/dbraw/zinc/05/81/34/1047058134.db2.gz KJBCZWXQYLRCAU-RHSMWYFYSA-N 1 2 323.465 4.415 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141294130 1047079390 /nfs/dbraw/zinc/07/93/90/1047079390.db2.gz WNLUAYCCILFKDQ-UHFFFAOYSA-N 1 2 305.381 4.086 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141294130 1047079400 /nfs/dbraw/zinc/07/94/00/1047079400.db2.gz WNLUAYCCILFKDQ-UHFFFAOYSA-N 1 2 305.381 4.086 20 30 DIEDLO CC(C)C[N@H+](Cc1csc(Cl)n1)Cc1ccc(C#N)cc1 ZINC000827562688 1047124358 /nfs/dbraw/zinc/12/43/58/1047124358.db2.gz QEHKYYCGNSUMKY-UHFFFAOYSA-N 1 2 319.861 4.326 20 30 DIEDLO CC(C)C[N@@H+](Cc1csc(Cl)n1)Cc1ccc(C#N)cc1 ZINC000827562688 1047124367 /nfs/dbraw/zinc/12/43/67/1047124367.db2.gz QEHKYYCGNSUMKY-UHFFFAOYSA-N 1 2 319.861 4.326 20 30 DIEDLO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1F ZINC001116445679 1047141327 /nfs/dbraw/zinc/14/13/27/1047141327.db2.gz RLINYNVOGDQTRS-IEBWSBKVSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1F ZINC001116445679 1047141336 /nfs/dbraw/zinc/14/13/36/1047141336.db2.gz RLINYNVOGDQTRS-IEBWSBKVSA-N 1 2 324.399 4.106 20 30 DIEDLO Cc1ccc2cc(C[N@H+](CCC#N)Cc3ccccc3)ccc2n1 ZINC001141472686 1047143887 /nfs/dbraw/zinc/14/38/87/1047143887.db2.gz BJRSZWIMJMPCBV-UHFFFAOYSA-N 1 2 315.420 4.459 20 30 DIEDLO Cc1ccc2cc(C[N@@H+](CCC#N)Cc3ccccc3)ccc2n1 ZINC001141472686 1047143890 /nfs/dbraw/zinc/14/38/90/1047143890.db2.gz BJRSZWIMJMPCBV-UHFFFAOYSA-N 1 2 315.420 4.459 20 30 DIEDLO Cc1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1Cl ZINC001116548526 1047154546 /nfs/dbraw/zinc/15/45/46/1047154546.db2.gz RGZVPKXMIIEPAL-UHFFFAOYSA-N 1 2 316.817 4.342 20 30 DIEDLO CCCCCCCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000827825966 1047185222 /nfs/dbraw/zinc/18/52/22/1047185222.db2.gz XMRCNFTXNNHABW-UHFFFAOYSA-N 1 2 322.518 4.143 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)CCCn1cc[nH+]c1 ZINC000682803548 1047226170 /nfs/dbraw/zinc/22/61/70/1047226170.db2.gz AFNGNOWIVCPNIV-UHFFFAOYSA-N 1 2 311.429 4.154 20 30 DIEDLO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000898216044 1047324482 /nfs/dbraw/zinc/32/44/82/1047324482.db2.gz UKYRDEQHHOYDBF-UHFFFAOYSA-N 1 2 314.816 4.137 20 30 DIEDLO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](C#N)CC2)c(Cl)c1 ZINC001142293303 1047423484 /nfs/dbraw/zinc/42/34/84/1047423484.db2.gz QDCYGQIFJYXELR-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO COc1cc(Cl)c(C[N@H+]2CCC[C@H](C#N)CC2)c(Cl)c1 ZINC001142293303 1047423488 /nfs/dbraw/zinc/42/34/88/1047423488.db2.gz QDCYGQIFJYXELR-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(Cl)c1O ZINC000841893343 1047461100 /nfs/dbraw/zinc/46/11/00/1047461100.db2.gz DKQIKMZPOQTVBA-KRWDZBQOSA-N 1 2 312.800 4.084 20 30 DIEDLO N#CC1(c2ccccc2)CC[NH+](Cc2csc(Cl)c2)CC1 ZINC001142760389 1047491906 /nfs/dbraw/zinc/49/19/06/1047491906.db2.gz RDWCIVHJEWPGSI-UHFFFAOYSA-N 1 2 316.857 4.459 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2cccs2)c1F ZINC001143170497 1047537698 /nfs/dbraw/zinc/53/76/98/1047537698.db2.gz HMTPIAXIIARLCS-CQSZACIVSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2cccs2)c1F ZINC001143170497 1047537702 /nfs/dbraw/zinc/53/77/02/1047537702.db2.gz HMTPIAXIIARLCS-CQSZACIVSA-N 1 2 304.365 4.235 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@H+](C)[C@H](C)CC#N)cc1OCC ZINC000093090997 1047543142 /nfs/dbraw/zinc/54/31/42/1047543142.db2.gz WITCHOSITXJEGU-CYBMUJFWSA-N 1 2 324.852 4.261 20 30 DIEDLO CCCOc1c(Cl)cc(C[N@@H+](C)[C@H](C)CC#N)cc1OCC ZINC000093090997 1047543145 /nfs/dbraw/zinc/54/31/45/1047543145.db2.gz WITCHOSITXJEGU-CYBMUJFWSA-N 1 2 324.852 4.261 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093090507 1047543719 /nfs/dbraw/zinc/54/37/19/1047543719.db2.gz SXXHYKCNVBPCBE-LBPRGKRZSA-N 1 2 315.398 4.057 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093090507 1047543729 /nfs/dbraw/zinc/54/37/29/1047543729.db2.gz SXXHYKCNVBPCBE-LBPRGKRZSA-N 1 2 315.398 4.057 20 30 DIEDLO Cc1ccc(Nc2ccc(Br)c(F)c2C#N)c(C)[nH+]1 ZINC001203375766 1047609888 /nfs/dbraw/zinc/60/98/88/1047609888.db2.gz BLAWVFZREMOCBB-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO CCCN(CCC)c1cc(N[C@@H](C)c2cccc(C#N)c2)[nH+]cn1 ZINC001156874060 1047726054 /nfs/dbraw/zinc/72/60/54/1047726054.db2.gz VSDSESNBRUZUIW-HNNXBMFYSA-N 1 2 323.444 4.148 20 30 DIEDLO CCCN(CCC)c1cc(N[C@@H](C)c2cccc(C#N)c2)nc[nH+]1 ZINC001156874060 1047726055 /nfs/dbraw/zinc/72/60/55/1047726055.db2.gz VSDSESNBRUZUIW-HNNXBMFYSA-N 1 2 323.444 4.148 20 30 DIEDLO Cc1nc2cc(CNc3[nH+]ccc4ccc(C#N)cc43)ccc2o1 ZINC001156934071 1047728761 /nfs/dbraw/zinc/72/87/61/1047728761.db2.gz FIMDCFBPQHRPMY-UHFFFAOYSA-N 1 2 314.348 4.168 20 30 DIEDLO Cc1cc2[nH]ccc2c(N[C@@](C)(C#N)c2ccccc2Cl)[nH+]1 ZINC001158482636 1047785536 /nfs/dbraw/zinc/78/55/36/1047785536.db2.gz POVJCKMPIQEONO-KRWDZBQOSA-N 1 2 310.788 4.376 20 30 DIEDLO CC(C)c1ccc(N2CCC(C#N)(c3ccccc3F)CC2)[nH+]c1 ZINC001158889253 1047803116 /nfs/dbraw/zinc/80/31/16/1047803116.db2.gz LRKBYFAAVZCMPB-UHFFFAOYSA-N 1 2 323.415 4.406 20 30 DIEDLO Cc1nc(NCc2ccc(C#N)s2)cc(C2CCCCC2)[nH+]1 ZINC001159176188 1047818379 /nfs/dbraw/zinc/81/83/79/1047818379.db2.gz DEKBCHQOLVHUCC-UHFFFAOYSA-N 1 2 312.442 4.378 20 30 DIEDLO CC(C)(C#N)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC001174523003 1047884250 /nfs/dbraw/zinc/88/42/50/1047884250.db2.gz COXZEBJVAAVALT-UHFFFAOYSA-N 1 2 321.428 4.012 20 30 DIEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(Cl)c1 ZINC001174522532 1047885901 /nfs/dbraw/zinc/88/59/01/1047885901.db2.gz QPIIWGYDBHSDHX-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO CC(=O)c1ccc([C@H](C)Nc2[nH+]ccc3ccc(C#N)cc32)cc1 ZINC001159906461 1047945233 /nfs/dbraw/zinc/94/52/33/1047945233.db2.gz AWBKOTVAANBMPQ-ZDUSSCGKSA-N 1 2 315.376 4.482 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3CCc4c3cccc4C#N)c2c1 ZINC001159914758 1047949830 /nfs/dbraw/zinc/94/98/30/1047949830.db2.gz TTYQATIYXMRZQX-LJQANCHMSA-N 1 2 310.360 4.078 20 30 DIEDLO CCCCCCC[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000775972864 1048069030 /nfs/dbraw/zinc/06/90/30/1048069030.db2.gz YUAGSJYVRFHMSC-NVXWUHKLSA-N 1 2 300.450 4.233 20 30 DIEDLO CC(C)(C#N)c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184969275 1048107793 /nfs/dbraw/zinc/10/77/93/1048107793.db2.gz YTERGYNJGOLDRX-UHFFFAOYSA-N 1 2 306.413 4.227 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@@H](CC)c1ccn(C)n1)c1ccc(F)c(F)c1 ZINC000480659802 1048210571 /nfs/dbraw/zinc/21/05/71/1048210571.db2.gz DWGFFAZNWWMPRL-DOTOQJQBSA-N 1 2 305.372 4.056 20 30 DIEDLO CC(C)(CNc1[nH+]ccc2ccc(C#N)cc21)CC(F)(F)F ZINC001162249193 1048252188 /nfs/dbraw/zinc/25/21/88/1048252188.db2.gz KUNJOUVJAVZYBA-UHFFFAOYSA-N 1 2 307.319 4.497 20 30 DIEDLO N#Cc1cc(F)c(Nc2ccc(N3CCCC3)[nH+]c2)c(Cl)c1 ZINC001175350837 1048271935 /nfs/dbraw/zinc/27/19/35/1048271935.db2.gz IMGPSGJVEVUDMA-UHFFFAOYSA-N 1 2 316.767 4.090 20 30 DIEDLO C=CCc1ccc(NC(=O)C(C)(C)C)c(NC(=[NH2+])C(C)(C)C)n1 ZINC001162662564 1048330481 /nfs/dbraw/zinc/33/04/81/1048330481.db2.gz ZFIZTGYIKCMBRV-UHFFFAOYSA-N 1 2 316.449 4.230 20 30 DIEDLO C=CC[C@@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1ccccc1 ZINC001162909963 1048386787 /nfs/dbraw/zinc/38/67/87/1048386787.db2.gz VYSNAVSDFMQZFK-FUHWJXTLSA-N 1 2 322.456 4.442 20 30 DIEDLO C=CC[C@@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1ccccc1 ZINC001162909963 1048386800 /nfs/dbraw/zinc/38/68/00/1048386800.db2.gz VYSNAVSDFMQZFK-FUHWJXTLSA-N 1 2 322.456 4.442 20 30 DIEDLO CC(C)(C#N)c1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175717807 1048423002 /nfs/dbraw/zinc/42/30/02/1048423002.db2.gz QQEKNGQAAUHAHH-UHFFFAOYSA-N 1 2 320.318 4.227 20 30 DIEDLO CC(C)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C#N)c1 ZINC001175716907 1048423621 /nfs/dbraw/zinc/42/36/21/1048423621.db2.gz CQGNRQZMVGKKKP-UHFFFAOYSA-N 1 2 320.318 4.421 20 30 DIEDLO Cc1cc([NH+](C)C)ccc1NCc1ccc(C2(C#N)CC2)cc1 ZINC000850043140 1048612535 /nfs/dbraw/zinc/61/25/35/1048612535.db2.gz KBAATFSAIUQZGS-UHFFFAOYSA-N 1 2 305.425 4.228 20 30 DIEDLO C[N@@H+]1CCCc2cc(NCc3ccc(C4(C#N)CC4)cc3)ccc21 ZINC000850209149 1048624558 /nfs/dbraw/zinc/62/45/58/1048624558.db2.gz OICILQKZJBCNID-UHFFFAOYSA-N 1 2 317.436 4.236 20 30 DIEDLO C[N@H+]1CCCc2cc(NCc3ccc(C4(C#N)CC4)cc3)ccc21 ZINC000850209149 1048624562 /nfs/dbraw/zinc/62/45/62/1048624562.db2.gz OICILQKZJBCNID-UHFFFAOYSA-N 1 2 317.436 4.236 20 30 DIEDLO CN(C)c1cc(Cl)[nH+]c(NC(C)(C)c2ccc(C#N)cc2)c1 ZINC001165734742 1048711449 /nfs/dbraw/zinc/71/14/49/1048711449.db2.gz NSBNSUFAEPJKAG-UHFFFAOYSA-N 1 2 314.820 4.020 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1csc([C@H](C)OCC)n1)c1ccccc1 ZINC000775398363 1048764540 /nfs/dbraw/zinc/76/45/40/1048764540.db2.gz HJJJAZRVALDILC-YOEHRIQHSA-N 1 2 314.454 4.095 20 30 DIEDLO CC[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)C[C@H](C)C#N ZINC000483285210 1048773114 /nfs/dbraw/zinc/77/31/14/1048773114.db2.gz NGJIFECEIYKSGJ-GFCCVEGCSA-N 1 2 304.340 4.206 20 30 DIEDLO CC[N@H+](Cc1ccc(-c2cccc(F)c2F)o1)C[C@H](C)C#N ZINC000483285210 1048773125 /nfs/dbraw/zinc/77/31/25/1048773125.db2.gz NGJIFECEIYKSGJ-GFCCVEGCSA-N 1 2 304.340 4.206 20 30 DIEDLO CSc1cc[nH+]c(N2CCC(Cc3ccc(C#N)cc3)CC2)c1 ZINC001166767327 1048791026 /nfs/dbraw/zinc/79/10/26/1048791026.db2.gz WPTVYYWYSRZVLS-UHFFFAOYSA-N 1 2 323.465 4.134 20 30 DIEDLO N#Cc1ccc(CC2CCN(c3cccc(C4CC4)[nH+]3)CC2)cc1 ZINC001166767722 1048791568 /nfs/dbraw/zinc/79/15/68/1048791568.db2.gz CSAAETOHMQFLLT-UHFFFAOYSA-N 1 2 317.436 4.290 20 30 DIEDLO Cc1cccc(CCN(C)c2[nH+]ccc3ccc(C#N)cc32)c1 ZINC001166823648 1048801608 /nfs/dbraw/zinc/80/16/08/1048801608.db2.gz SURBYNJGNVUDOU-UHFFFAOYSA-N 1 2 301.393 4.094 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000852687036 1048854146 /nfs/dbraw/zinc/85/41/46/1048854146.db2.gz OPXKYNSCFQULLE-ZDUSSCGKSA-N 1 2 300.349 4.034 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000852687036 1048854160 /nfs/dbraw/zinc/85/41/60/1048854160.db2.gz OPXKYNSCFQULLE-ZDUSSCGKSA-N 1 2 300.349 4.034 20 30 DIEDLO Cc1ccc(Nc2c(C#N)cnn2-c2cccc(Cl)c2)c(C)[nH+]1 ZINC001203369916 1048883202 /nfs/dbraw/zinc/88/32/02/1048883202.db2.gz FGXDSCZFXNEXRN-UHFFFAOYSA-N 1 2 323.787 4.153 20 30 DIEDLO C(#Cc1ccccc1)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000484090908 1048898239 /nfs/dbraw/zinc/89/82/39/1048898239.db2.gz COXYFSNZHLOLMD-IBGZPJMESA-N 1 2 316.404 4.407 20 30 DIEDLO C(#Cc1ccccc1)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000484090908 1048898253 /nfs/dbraw/zinc/89/82/53/1048898253.db2.gz COXYFSNZHLOLMD-IBGZPJMESA-N 1 2 316.404 4.407 20 30 DIEDLO CN(Cc1ccccc1)c1ccc(Nc2csc(C#N)c2)c[nH+]1 ZINC001203515137 1048916101 /nfs/dbraw/zinc/91/61/01/1048916101.db2.gz DHNDCVXPKYBYTP-UHFFFAOYSA-N 1 2 320.421 4.395 20 30 DIEDLO CC(C)(C)n1ncc(C#N)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203713047 1048972589 /nfs/dbraw/zinc/97/25/89/1048972589.db2.gz UKUWAODYEKMQOY-UHFFFAOYSA-N 1 2 323.444 4.244 20 30 DIEDLO Cc1cc(C#N)cc(C#N)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203719280 1048975695 /nfs/dbraw/zinc/97/56/95/1048975695.db2.gz NNPBWALEKLKSCK-UHFFFAOYSA-N 1 2 316.408 4.472 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC001203764252 1048993730 /nfs/dbraw/zinc/99/37/30/1048993730.db2.gz HIRWJHCATYQFLC-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC001203764252 1048993744 /nfs/dbraw/zinc/99/37/44/1048993744.db2.gz HIRWJHCATYQFLC-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cccc(Oc2ccc(OC)cc2)c1 ZINC001203817920 1049009060 /nfs/dbraw/zinc/00/90/60/1049009060.db2.gz GJKYOKQDZZZRBG-UHFFFAOYSA-N 1 2 310.397 4.223 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cccc(Oc2ccc(OC)cc2)c1 ZINC001203817920 1049009073 /nfs/dbraw/zinc/00/90/73/1049009073.db2.gz GJKYOKQDZZZRBG-UHFFFAOYSA-N 1 2 310.397 4.223 20 30 DIEDLO COc1ccc(Oc2cccc(C[N@@H+]3CCC[C@H](C#N)C3)c2)cc1 ZINC001203817529 1049010157 /nfs/dbraw/zinc/01/01/57/1049010157.db2.gz ADSQCUIXSJVQDY-QGZVFWFLSA-N 1 2 322.408 4.223 20 30 DIEDLO COc1ccc(Oc2cccc(C[N@H+]3CCC[C@H](C#N)C3)c2)cc1 ZINC001203817529 1049010168 /nfs/dbraw/zinc/01/01/68/1049010168.db2.gz ADSQCUIXSJVQDY-QGZVFWFLSA-N 1 2 322.408 4.223 20 30 DIEDLO CC[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1Cl ZINC001203905203 1049028975 /nfs/dbraw/zinc/02/89/75/1049028975.db2.gz WIHULHJDLFPORX-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1Cl ZINC001203905203 1049028989 /nfs/dbraw/zinc/02/89/89/1049028989.db2.gz WIHULHJDLFPORX-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO COc1cc(C)c(C[N@H+](CCC#N)Cc2ccccc2)cc1C ZINC001203752947 1049066629 /nfs/dbraw/zinc/06/66/29/1049066629.db2.gz SOWWKFAOAHOCMT-UHFFFAOYSA-N 1 2 308.425 4.228 20 30 DIEDLO COc1cc(C)c(C[N@@H+](CCC#N)Cc2ccccc2)cc1C ZINC001203752947 1049066640 /nfs/dbraw/zinc/06/66/40/1049066640.db2.gz SOWWKFAOAHOCMT-UHFFFAOYSA-N 1 2 308.425 4.228 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(Br)cs1 ZINC001204025525 1049066975 /nfs/dbraw/zinc/06/69/75/1049066975.db2.gz HJOWXFQBQOJOOU-UHFFFAOYSA-N 1 2 301.253 4.026 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(Br)cs1 ZINC001204025525 1049066986 /nfs/dbraw/zinc/06/69/86/1049066986.db2.gz HJOWXFQBQOJOOU-UHFFFAOYSA-N 1 2 301.253 4.026 20 30 DIEDLO N#CC1(c2ccc(C[N@H+]3CCc4c(F)ccc(F)c4C3)cc2)CC1 ZINC001204313421 1049138351 /nfs/dbraw/zinc/13/83/51/1049138351.db2.gz LBRCIJIKCRRQKN-UHFFFAOYSA-N 1 2 324.374 4.078 20 30 DIEDLO N#CC1(c2ccc(C[N@@H+]3CCc4c(F)ccc(F)c4C3)cc2)CC1 ZINC001204313421 1049138358 /nfs/dbraw/zinc/13/83/58/1049138358.db2.gz LBRCIJIKCRRQKN-UHFFFAOYSA-N 1 2 324.374 4.078 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccccc1OC(F)(F)F ZINC001204424667 1049159907 /nfs/dbraw/zinc/15/99/07/1049159907.db2.gz DHOJNARBOYLCER-UHFFFAOYSA-N 1 2 300.324 4.101 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccccc1OC(F)(F)F ZINC001204424667 1049159914 /nfs/dbraw/zinc/15/99/14/1049159914.db2.gz DHOJNARBOYLCER-UHFFFAOYSA-N 1 2 300.324 4.101 20 30 DIEDLO C[C@@H](CC#N)[NH2+]Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001179479467 1049170852 /nfs/dbraw/zinc/17/08/52/1049170852.db2.gz MFXXCDQLBFAXIU-NSHDSACASA-N 1 2 320.314 4.288 20 30 DIEDLO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857946517 1049212579 /nfs/dbraw/zinc/21/25/79/1049212579.db2.gz WFHGZXZSUBPCMK-DLBZAZTESA-N 1 2 319.493 4.091 20 30 DIEDLO CCCCCCCCC/C=C/C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987424 1049213145 /nfs/dbraw/zinc/21/31/45/1049213145.db2.gz YNXWWFMEVDGPQH-OFAQMXQXSA-N 1 2 303.450 4.141 20 30 DIEDLO N#Cc1cc(Cl)c(Nc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC001204978567 1049331455 /nfs/dbraw/zinc/33/14/55/1049331455.db2.gz VDIHBXYCJPQAKR-UHFFFAOYSA-N 1 2 303.152 4.256 20 30 DIEDLO CC(=[NH+]Nc1ccnc(C(F)(F)F)c1)c1ccccc1N(C)C ZINC000863181576 1049538146 /nfs/dbraw/zinc/53/81/46/1049538146.db2.gz NSDUFLRDLXDRIK-UHFFFAOYSA-N 1 2 322.334 4.003 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccc(F)cc1 ZINC001182020517 1049565069 /nfs/dbraw/zinc/56/50/69/1049565069.db2.gz LHBJPQZQSNHCHN-MRXNPFEDSA-N 1 2 323.289 4.030 20 30 DIEDLO C=CC[N@@H+](CCC#N)CC(C)(C)c1ccc(Br)cc1 ZINC001205974881 1049616509 /nfs/dbraw/zinc/61/65/09/1049616509.db2.gz WGBVNNKHGVFCDJ-UHFFFAOYSA-N 1 2 321.262 4.128 20 30 DIEDLO C=CC[N@H+](CCC#N)CC(C)(C)c1ccc(Br)cc1 ZINC001205974881 1049616512 /nfs/dbraw/zinc/61/65/12/1049616512.db2.gz WGBVNNKHGVFCDJ-UHFFFAOYSA-N 1 2 321.262 4.128 20 30 DIEDLO Cc1cc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)ccc1C#N ZINC000488302446 1049632100 /nfs/dbraw/zinc/63/21/00/1049632100.db2.gz VPCVPNAKWCSTJK-HNNXBMFYSA-N 1 2 317.392 4.373 20 30 DIEDLO N#Cc1ccc(N[NH+]=C2CCCNc3ccccc32)cc1Cl ZINC000774408077 1049660177 /nfs/dbraw/zinc/66/01/77/1049660177.db2.gz DUZDXQNOEXRKJI-UHFFFAOYSA-N 1 2 310.788 4.234 20 30 DIEDLO NC(=[NH+]OCc1cccc(C(F)F)c1)c1ccc(Cl)cc1 ZINC000794714327 1049683340 /nfs/dbraw/zinc/68/33/40/1049683340.db2.gz FEZREMZQUWHOON-UHFFFAOYSA-N 1 2 310.731 4.115 20 30 DIEDLO C=CC[N@@H+](Cc1nc2c(cccc2F)n1CC)Cc1ccccc1 ZINC000489549053 1049765618 /nfs/dbraw/zinc/76/56/18/1049765618.db2.gz MXLXXJDRVSRZDV-UHFFFAOYSA-N 1 2 323.415 4.384 20 30 DIEDLO C=CC[N@H+](Cc1nc2c(cccc2F)n1CC)Cc1ccccc1 ZINC000489549053 1049765628 /nfs/dbraw/zinc/76/56/28/1049765628.db2.gz MXLXXJDRVSRZDV-UHFFFAOYSA-N 1 2 323.415 4.384 20 30 DIEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1C#N ZINC000490046384 1049797348 /nfs/dbraw/zinc/79/73/48/1049797348.db2.gz QMHRMNLBXOHEMG-GOSISDBHSA-N 1 2 314.816 4.031 20 30 DIEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1C#N ZINC000490046384 1049797355 /nfs/dbraw/zinc/79/73/55/1049797355.db2.gz QMHRMNLBXOHEMG-GOSISDBHSA-N 1 2 314.816 4.031 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCc3sccc3C2)c(C(F)(F)F)c1 ZINC000589495074 1050038356 /nfs/dbraw/zinc/03/83/56/1050038356.db2.gz WKWODOSYADPBHK-UHFFFAOYSA-N 1 2 322.355 4.197 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCc3sccc3C2)c(C(F)(F)F)c1 ZINC000589495074 1050038360 /nfs/dbraw/zinc/03/83/60/1050038360.db2.gz WKWODOSYADPBHK-UHFFFAOYSA-N 1 2 322.355 4.197 20 30 DIEDLO C[C@H](c1ccccc1)[N@H+](Cc1ccon1)Cc1ccc(C#N)cc1 ZINC001209567379 1050068501 /nfs/dbraw/zinc/06/85/01/1050068501.db2.gz IEBMBNOSZXZKJW-MRXNPFEDSA-N 1 2 317.392 4.310 20 30 DIEDLO C[C@H](c1ccccc1)[N@@H+](Cc1ccon1)Cc1ccc(C#N)cc1 ZINC001209567379 1050068508 /nfs/dbraw/zinc/06/85/08/1050068508.db2.gz IEBMBNOSZXZKJW-MRXNPFEDSA-N 1 2 317.392 4.310 20 30 DIEDLO Oc1ccccc1/C=[NH+]\CCCO[C@H]1CCCc2ccccc21 ZINC000733750219 1050151827 /nfs/dbraw/zinc/15/18/27/1050151827.db2.gz PZIHUOJIDDRVPR-RLKVQFJASA-N 1 2 309.409 4.295 20 30 DIEDLO Clc1cccc(Cl)c1N=NCc1cccc2[nH+]ccn21 ZINC000771096465 1050218983 /nfs/dbraw/zinc/21/89/83/1050218983.db2.gz DWHLIKLNXPMZMD-UHFFFAOYSA-N 1 2 305.168 4.087 20 30 DIEDLO N#Cc1c(Cl)nsc1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000771190205 1050227743 /nfs/dbraw/zinc/22/77/43/1050227743.db2.gz JIGMQVQYZMAGFV-UHFFFAOYSA-N 1 2 319.821 4.161 20 30 DIEDLO CCCCCCCC[C@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000824856201 1050250213 /nfs/dbraw/zinc/25/02/13/1050250213.db2.gz UGKVFMXHRIIVLO-KRWDZBQOSA-N 1 2 319.493 4.433 20 30 DIEDLO N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000592080482 1050267911 /nfs/dbraw/zinc/26/79/11/1050267911.db2.gz ROYUMJKPTFORKU-HXUWFJFHSA-N 1 2 316.408 4.162 20 30 DIEDLO N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000592080482 1050267925 /nfs/dbraw/zinc/26/79/25/1050267925.db2.gz ROYUMJKPTFORKU-HXUWFJFHSA-N 1 2 316.408 4.162 20 30 DIEDLO N#Cc1cc(Cl)cc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001210536061 1050286222 /nfs/dbraw/zinc/28/62/22/1050286222.db2.gz JVIFCDZRZBLVSQ-UHFFFAOYSA-N 1 2 303.152 4.256 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(OC(C)C)cc3)n2c1 ZINC000771851286 1050292068 /nfs/dbraw/zinc/29/20/68/1050292068.db2.gz RIEXDQSBSWRSKW-JXMROGBWSA-N 1 2 320.392 4.326 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001143358316 1050314523 /nfs/dbraw/zinc/31/45/23/1050314523.db2.gz XHKQCYHFBLXZTE-UHFFFAOYSA-N 1 2 320.742 4.364 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001143358316 1050314534 /nfs/dbraw/zinc/31/45/34/1050314534.db2.gz XHKQCYHFBLXZTE-UHFFFAOYSA-N 1 2 320.742 4.364 20 30 DIEDLO Nc1ccccc1C(NO)=[NH+]c1ccc2oc3ccccc3c2c1 ZINC001210639976 1050324637 /nfs/dbraw/zinc/32/46/37/1050324637.db2.gz FSVAHRFQPNVNDH-UHFFFAOYSA-N 1 2 317.348 4.225 20 30 DIEDLO COc1cc(Nc2ccc(C#N)cc2C(F)(F)F)cc(C)[nH+]1 ZINC001210781643 1050370762 /nfs/dbraw/zinc/37/07/62/1050370762.db2.gz ZSQFLVQSJFRQDV-UHFFFAOYSA-N 1 2 307.275 4.033 20 30 DIEDLO C=C(Cl)C[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000735925316 1050439681 /nfs/dbraw/zinc/43/96/81/1050439681.db2.gz BQPXXSNLLACRCV-UHFFFAOYSA-N 1 2 324.255 4.491 20 30 DIEDLO CCc1cc(C[N@H+](CCC#N)Cc2ccccc2)cc(CC)c1O ZINC001144138355 1050476897 /nfs/dbraw/zinc/47/68/97/1050476897.db2.gz UUGJRPRBPPHTMF-UHFFFAOYSA-N 1 2 322.452 4.433 20 30 DIEDLO CCc1cc(C[N@@H+](CCC#N)Cc2ccccc2)cc(CC)c1O ZINC001144138355 1050476903 /nfs/dbraw/zinc/47/69/03/1050476903.db2.gz UUGJRPRBPPHTMF-UHFFFAOYSA-N 1 2 322.452 4.433 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cccc2)cc1 ZINC001144238259 1050501104 /nfs/dbraw/zinc/50/11/04/1050501104.db2.gz JDYKEHDPRJHQAK-UHFFFAOYSA-N 1 2 315.420 4.393 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cccc2)cc1 ZINC001144238259 1050501111 /nfs/dbraw/zinc/50/11/11/1050501111.db2.gz JDYKEHDPRJHQAK-UHFFFAOYSA-N 1 2 315.420 4.393 20 30 DIEDLO N#CC[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CCCC1 ZINC000738256194 1050527026 /nfs/dbraw/zinc/52/70/26/1050527026.db2.gz IXVBNPWJNSOIED-UHFFFAOYSA-N 1 2 324.424 4.285 20 30 DIEDLO N#CC[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CCCC1 ZINC000738256194 1050527037 /nfs/dbraw/zinc/52/70/37/1050527037.db2.gz IXVBNPWJNSOIED-UHFFFAOYSA-N 1 2 324.424 4.285 20 30 DIEDLO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C(C)C)C(F)(F)F)c(O)c1 ZINC000787141286 1050553742 /nfs/dbraw/zinc/55/37/42/1050553742.db2.gz LRMYPGPIHMEJRN-ANQVYJHKSA-N 1 2 316.367 4.244 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnc2ccsc2c1 ZINC000739411200 1050566822 /nfs/dbraw/zinc/56/68/22/1050566822.db2.gz INRMKRIBLJMACH-UHFFFAOYSA-N 1 2 318.405 4.103 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc2c(c1)CCCC2 ZINC000740764720 1050625405 /nfs/dbraw/zinc/62/54/05/1050625405.db2.gz CRMLBWFTIUIWHX-KHPPLWFESA-N 1 2 302.377 4.109 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000595678406 1050658735 /nfs/dbraw/zinc/65/87/35/1050658735.db2.gz ZRJNXBBOZGQVFS-GOSISDBHSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000595678406 1050658744 /nfs/dbraw/zinc/65/87/44/1050658744.db2.gz ZRJNXBBOZGQVFS-GOSISDBHSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1F ZINC000595673960 1050661209 /nfs/dbraw/zinc/66/12/09/1050661209.db2.gz GXVRZXSENSRPEY-GOSISDBHSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1F ZINC000595673960 1050661214 /nfs/dbraw/zinc/66/12/14/1050661214.db2.gz GXVRZXSENSRPEY-GOSISDBHSA-N 1 2 310.372 4.408 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(C#N)cc3Cl)c[nH+]c12 ZINC000788360971 1050672590 /nfs/dbraw/zinc/67/25/90/1050672590.db2.gz QNVUPDBWZXPTLB-ALCCZGGFSA-N 1 2 321.767 4.064 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1Cl ZINC001144725984 1050674276 /nfs/dbraw/zinc/67/42/76/1050674276.db2.gz DEEFCUZLMVZMBM-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1Cl ZINC001144725984 1050674286 /nfs/dbraw/zinc/67/42/86/1050674286.db2.gz DEEFCUZLMVZMBM-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO Cc1c[nH+]cc(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)c1C ZINC001213527538 1050679912 /nfs/dbraw/zinc/67/99/12/1050679912.db2.gz RITDEVWAURUAAA-UHFFFAOYSA-N 1 2 323.787 4.153 20 30 DIEDLO Cc1c[nH+]cc(Nc2cc(C#N)ccc2Br)c1C ZINC001213536457 1050682480 /nfs/dbraw/zinc/68/24/80/1050682480.db2.gz KNROJIWZMOLUAZ-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1c[nH+]cc(Nc2ccc(OC(F)(F)F)cc2C#N)c1C ZINC001213536906 1050682567 /nfs/dbraw/zinc/68/25/67/1050682567.db2.gz RPZOOQNVXRKDDE-UHFFFAOYSA-N 1 2 307.275 4.212 20 30 DIEDLO COc1ccc([C@@H](C)CC/[NH+]=C/c2cccc(OC)c2O)cc1 ZINC000741463566 1050682622 /nfs/dbraw/zinc/68/26/22/1050682622.db2.gz GQEXYSOGFPRGGM-ZXOFLVKFSA-N 1 2 313.397 4.022 20 30 DIEDLO CCCc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000741472164 1050684364 /nfs/dbraw/zinc/68/43/64/1050684364.db2.gz SZAOSBIRGJUAHS-QXMHVHEDSA-N 1 2 304.393 4.491 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(F)c(Cl)c3)c[nH+]c12 ZINC000741468881 1050684756 /nfs/dbraw/zinc/68/47/56/1050684756.db2.gz WOMMJTUBOYAMHT-FNORWQNLSA-N 1 2 314.747 4.331 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(F)c(Cl)c3)c[nH+]c12 ZINC000741468880 1050684943 /nfs/dbraw/zinc/68/49/43/1050684943.db2.gz WOMMJTUBOYAMHT-ALCCZGGFSA-N 1 2 314.747 4.331 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000597228178 1050825826 /nfs/dbraw/zinc/82/58/26/1050825826.db2.gz ATVJZKNYAJUEEV-QGZVFWFLSA-N 1 2 300.789 4.336 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000597228178 1050825837 /nfs/dbraw/zinc/82/58/37/1050825837.db2.gz ATVJZKNYAJUEEV-QGZVFWFLSA-N 1 2 300.789 4.336 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000597232006 1050826969 /nfs/dbraw/zinc/82/69/69/1050826969.db2.gz QNFIYUZUSPLCSC-INIZCTEOSA-N 1 2 317.845 4.199 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000597232006 1050826977 /nfs/dbraw/zinc/82/69/77/1050826977.db2.gz QNFIYUZUSPLCSC-INIZCTEOSA-N 1 2 317.845 4.199 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000597232441 1050827489 /nfs/dbraw/zinc/82/74/89/1050827489.db2.gz UIYJEVBTTQCWNK-HXUWFJFHSA-N 1 2 324.399 4.140 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000597232441 1050827505 /nfs/dbraw/zinc/82/75/05/1050827505.db2.gz UIYJEVBTTQCWNK-HXUWFJFHSA-N 1 2 324.399 4.140 20 30 DIEDLO CC(C)(C)C1CCN(N=Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000790178795 1050920668 /nfs/dbraw/zinc/92/06/68/1050920668.db2.gz LAYDSIFRDSAUCE-UHFFFAOYSA-N 1 2 316.474 4.026 20 30 DIEDLO Cn1cc[nH+]c1NN=Cc1ccc(SCc2ccccc2)cc1 ZINC000790300122 1050947532 /nfs/dbraw/zinc/94/75/32/1050947532.db2.gz SASNBMQGFPGTEA-UHFFFAOYSA-N 1 2 322.437 4.158 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(SC)[nH+]c(C)n1 ZINC001171370667 1051022814 /nfs/dbraw/zinc/02/28/14/1051022814.db2.gz YFNWPTJZKGPKSA-GFCCVEGCSA-N 1 2 315.442 4.245 20 30 DIEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc2ccccc2n1 ZINC000792631885 1051184995 /nfs/dbraw/zinc/18/49/95/1051184995.db2.gz NXDQKNFPWQBOIE-UHFFFAOYSA-N 1 2 316.408 4.038 20 30 DIEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375642 1051199534 /nfs/dbraw/zinc/19/95/34/1051199534.db2.gz BWOVLDROIAJXPA-GPJFCIFZSA-N 1 2 309.457 4.309 20 30 DIEDLO C#CC[N@@H+](Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)C1CC1 ZINC001170377705 1051200252 /nfs/dbraw/zinc/20/02/52/1051200252.db2.gz SJCDNRDFZFIVFC-UHFFFAOYSA-N 1 2 321.207 4.246 20 30 DIEDLO C#CC[N@H+](Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)C1CC1 ZINC001170377705 1051200261 /nfs/dbraw/zinc/20/02/61/1051200261.db2.gz SJCDNRDFZFIVFC-UHFFFAOYSA-N 1 2 321.207 4.246 20 30 DIEDLO N#Cc1sc(Nc2ccc(NC3CCCC3)[nH+]c2)nc1Cl ZINC000804409743 1051388793 /nfs/dbraw/zinc/38/87/93/1051388793.db2.gz XSUFVGLLMFXQQT-UHFFFAOYSA-N 1 2 319.821 4.161 20 30 DIEDLO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001172506195 1051424103 /nfs/dbraw/zinc/42/41/03/1051424103.db2.gz PUJYUKGKKXRFIM-ZBFHGGJFSA-N 1 2 324.390 4.408 20 30 DIEDLO C[C@H](CCCC#N)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001172506195 1051424109 /nfs/dbraw/zinc/42/41/09/1051424109.db2.gz PUJYUKGKKXRFIM-ZBFHGGJFSA-N 1 2 324.390 4.408 20 30 DIEDLO CC(C)[C@@H]1c2ccccc2C(=O)/C1=C/c1cccc2[nH+]ccn21 ZINC000766507697 1051450862 /nfs/dbraw/zinc/45/08/62/1051450862.db2.gz WLMJIOVIATYKQE-XYSGSMRZSA-N 1 2 302.377 4.354 20 30 DIEDLO C=CCC[C@@H](C(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC001129593935 1051453910 /nfs/dbraw/zinc/45/39/10/1051453910.db2.gz ILKWMFCUKFVMNB-QGZVFWFLSA-N 1 2 305.381 4.023 20 30 DIEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001172577048 1051463502 /nfs/dbraw/zinc/46/35/02/1051463502.db2.gz HCZOOPCKHOHKBJ-RYUDHWBXSA-N 1 2 312.791 4.175 20 30 DIEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC[C@@H](C#N)C1 ZINC001172577048 1051463505 /nfs/dbraw/zinc/46/35/05/1051463505.db2.gz HCZOOPCKHOHKBJ-RYUDHWBXSA-N 1 2 312.791 4.175 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512421 1051584676 /nfs/dbraw/zinc/58/46/76/1051584676.db2.gz TVPMGMSUOSPDGL-UHFFFAOYSA-N 1 2 309.797 4.010 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512421 1051584688 /nfs/dbraw/zinc/58/46/88/1051584688.db2.gz TVPMGMSUOSPDGL-UHFFFAOYSA-N 1 2 309.797 4.010 20 30 DIEDLO N#Cc1cccc(Cl)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697505 1051587937 /nfs/dbraw/zinc/58/79/37/1051587937.db2.gz BYBNRCXFPRAIAT-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO N#Cc1c(Cl)cccc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001216125066 1051589405 /nfs/dbraw/zinc/58/94/05/1051589405.db2.gz LNXMBGSZEQHYMG-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO CCCCCCCC[C@@H](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804336444 1051683962 /nfs/dbraw/zinc/68/39/62/1051683962.db2.gz MXUGHIHXZRORRT-IAGOWNOFSA-N 1 2 319.493 4.091 20 30 DIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185743719 1051781197 /nfs/dbraw/zinc/78/11/97/1051781197.db2.gz PBGLXVAHIJQBHX-CVEARBPZSA-N 1 2 315.486 4.043 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000609195422 1051883491 /nfs/dbraw/zinc/88/34/91/1051883491.db2.gz NEMXGFFRCWXTOS-UHFFFAOYSA-N 1 2 312.335 4.243 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000609195422 1051883500 /nfs/dbraw/zinc/88/35/00/1051883500.db2.gz NEMXGFFRCWXTOS-UHFFFAOYSA-N 1 2 312.335 4.243 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000769164928 1052004774 /nfs/dbraw/zinc/00/47/74/1052004774.db2.gz VQNFVHNDVYDPRK-SXGZJXTBSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000769164928 1052004786 /nfs/dbraw/zinc/00/47/86/1052004786.db2.gz VQNFVHNDVYDPRK-SXGZJXTBSA-N 1 2 324.399 4.048 20 30 DIEDLO Oc1ccccc1/C=[NH+]\CC1(CCOCc2ccccc2)CC1 ZINC000769717859 1052097471 /nfs/dbraw/zinc/09/74/71/1052097471.db2.gz DOEYTGPHDSMOEQ-STZFKDTASA-N 1 2 309.409 4.198 20 30 DIEDLO Cc1ccc(C)c2c1CC/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000769746071 1052106821 /nfs/dbraw/zinc/10/68/21/1052106821.db2.gz BRSOGJLYNVDVCO-NTCAYCPXSA-N 1 2 302.377 4.164 20 30 DIEDLO COc1cc(C#N)c(F)cc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382981 1052142878 /nfs/dbraw/zinc/14/28/78/1052142878.db2.gz GUZRHABIAATRFG-UHFFFAOYSA-N 1 2 324.359 4.380 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3cc(C#N)c(F)cc3O)ccc21 ZINC001174382749 1052142915 /nfs/dbraw/zinc/14/29/15/1052142915.db2.gz DJCAKXXNOUCQTJ-UHFFFAOYSA-N 1 2 310.332 4.077 20 30 DIEDLO COc1cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)ccc1C#N ZINC001174382957 1052143307 /nfs/dbraw/zinc/14/33/07/1052143307.db2.gz FPOAKIXKPLNAAZ-UHFFFAOYSA-N 1 2 306.369 4.241 20 30 DIEDLO COc1cccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1C#N ZINC001174384460 1052145150 /nfs/dbraw/zinc/14/51/50/1052145150.db2.gz XKHYEGPSFPFYAI-UHFFFAOYSA-N 1 2 306.369 4.241 20 30 DIEDLO C=CC[C@@H](C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)c1ccccc1 ZINC000494892507 1052159775 /nfs/dbraw/zinc/15/97/75/1052159775.db2.gz SWIJUIXOZYFQSB-MRXNPFEDSA-N 1 2 305.381 4.170 20 30 DIEDLO N#Cc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1N1CCCCC1 ZINC001174414001 1052167057 /nfs/dbraw/zinc/16/70/57/1052167057.db2.gz SHKDFWOOZJWFDL-UHFFFAOYSA-N 1 2 317.396 4.120 20 30 DIEDLO CCCCCCC[C@H](C)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001221270293 1052384216 /nfs/dbraw/zinc/38/42/16/1052384216.db2.gz CPUGCTCPGXUDPN-HNNXBMFYSA-N 1 2 319.493 4.494 20 30 DIEDLO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000324418284 1052447649 /nfs/dbraw/zinc/44/76/49/1052447649.db2.gz XSGKMPMSFZHHCG-INIZCTEOSA-N 1 2 321.424 4.362 20 30 DIEDLO C=CC[N@H+](Cc1csc(COc2ccc(C)cc2)n1)C(C)C ZINC000917069514 1052691859 /nfs/dbraw/zinc/69/18/59/1052691859.db2.gz QTJHTNANGBBVAW-UHFFFAOYSA-N 1 2 316.470 4.427 20 30 DIEDLO C=CC[N@@H+](Cc1csc(COc2ccc(C)cc2)n1)C(C)C ZINC000917069514 1052691861 /nfs/dbraw/zinc/69/18/61/1052691861.db2.gz QTJHTNANGBBVAW-UHFFFAOYSA-N 1 2 316.470 4.427 20 30 DIEDLO NC(=[NH+]OCc1ccc(C(F)F)cc1)c1ccc(Cl)cc1 ZINC000763422356 1052753160 /nfs/dbraw/zinc/75/31/60/1052753160.db2.gz BMERPAGSJAARBL-UHFFFAOYSA-N 1 2 310.731 4.115 20 30 DIEDLO N#CC1(c2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cc2)CC1 ZINC001212247540 1052924736 /nfs/dbraw/zinc/92/47/36/1052924736.db2.gz NDYHDBCBFMLMSJ-UHFFFAOYSA-N 1 2 318.424 4.371 20 30 DIEDLO COc1ccc(O)c(/C=[NH+]\CCCSc2ccccc2)c1 ZINC000920944995 1052956066 /nfs/dbraw/zinc/95/60/66/1052956066.db2.gz ZGITVEPVBIRHDG-AQTBWJFISA-N 1 2 301.411 4.002 20 30 DIEDLO CSc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1F ZINC000180314678 1053053781 /nfs/dbraw/zinc/05/37/81/1053053781.db2.gz BBAWRFUQTFAQIT-VOTSOKGWSA-N 1 2 312.369 4.091 20 30 DIEDLO C=C[C@@]1(C)CC[C@@H](Oc2ccc3[nH]c(C)[nH+]c3c2)C(C)(C)O1 ZINC001228328185 1053075680 /nfs/dbraw/zinc/07/56/80/1053075680.db2.gz CHOLYMLHUUCUNM-AEFFLSMTSA-N 1 2 300.402 4.152 20 30 DIEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901457959 1053111800 /nfs/dbraw/zinc/11/18/00/1053111800.db2.gz XLBBFQXKONSPGS-FPLPWBNLSA-N 1 2 317.458 4.423 20 30 DIEDLO C#CCOc1ccccc1CNc1cc(C)c2ccccc2[nH+]1 ZINC001318559248 1053174885 /nfs/dbraw/zinc/17/48/85/1053174885.db2.gz JGEKQUBDSNBKCD-UHFFFAOYSA-N 1 2 302.377 4.167 20 30 DIEDLO C=CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)Cc1ccccc1 ZINC000089883015 1053217817 /nfs/dbraw/zinc/21/78/17/1053217817.db2.gz WIPGUGAIRZNADD-UHFFFAOYSA-N 1 2 323.396 4.135 20 30 DIEDLO C=CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)Cc1ccccc1 ZINC000089883015 1053217824 /nfs/dbraw/zinc/21/78/24/1053217824.db2.gz WIPGUGAIRZNADD-UHFFFAOYSA-N 1 2 323.396 4.135 20 30 DIEDLO C[N@@H+]1CCCc2cc(NC3CC(C#N)(c4ccccc4)C3)ccc21 ZINC001320576880 1053346713 /nfs/dbraw/zinc/34/67/13/1053346713.db2.gz KZNAGOZUGNGEBB-UHFFFAOYSA-N 1 2 317.436 4.105 20 30 DIEDLO C[N@H+]1CCCc2cc(NC3CC(C#N)(c4ccccc4)C3)ccc21 ZINC001320576880 1053346729 /nfs/dbraw/zinc/34/67/29/1053346729.db2.gz KZNAGOZUGNGEBB-UHFFFAOYSA-N 1 2 317.436 4.105 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000618904097 1053399017 /nfs/dbraw/zinc/39/90/17/1053399017.db2.gz MHTFAZFKFWGDFE-ZDUSSCGKSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000618904097 1053399028 /nfs/dbraw/zinc/39/90/28/1053399028.db2.gz MHTFAZFKFWGDFE-ZDUSSCGKSA-N 1 2 311.816 4.332 20 30 DIEDLO COc1ccc(CNc2cc(C)c3ccccc3[nH+]2)cc1C#N ZINC001353002776 1053452907 /nfs/dbraw/zinc/45/29/07/1053452907.db2.gz FMDIVCQMDNPIDH-UHFFFAOYSA-N 1 2 303.365 4.036 20 30 DIEDLO CC[C@@H](C#Cc1ccccc1)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231084228 1053671758 /nfs/dbraw/zinc/67/17/58/1053671758.db2.gz HVUSKDVWZLOHJQ-SFHVURJKSA-N 1 2 302.377 4.286 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCSc3ccccc3C2)cc1Cl ZINC001232118475 1053968744 /nfs/dbraw/zinc/96/87/44/1053968744.db2.gz NIZVQZHLMGXAHL-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCSc3ccccc3C2)cc1Cl ZINC001232118475 1053968761 /nfs/dbraw/zinc/96/87/61/1053968761.db2.gz NIZVQZHLMGXAHL-UHFFFAOYSA-N 1 2 314.841 4.320 20 30 DIEDLO C=CCC[N@H+](Cc1ccccc1)Cc1c(Cl)nccc1OC ZINC001232152531 1053971877 /nfs/dbraw/zinc/97/18/77/1053971877.db2.gz BRWGOWOEZHRTDM-UHFFFAOYSA-N 1 2 316.832 4.322 20 30 DIEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1c(Cl)nccc1OC ZINC001232152531 1053971883 /nfs/dbraw/zinc/97/18/83/1053971883.db2.gz BRWGOWOEZHRTDM-UHFFFAOYSA-N 1 2 316.832 4.322 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(Br)c(C)s1 ZINC001232294601 1054016774 /nfs/dbraw/zinc/01/67/74/1054016774.db2.gz RSOQEUJQGKEBMQ-UHFFFAOYSA-N 1 2 315.280 4.335 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(Br)c(C)s1 ZINC001232294601 1054016789 /nfs/dbraw/zinc/01/67/89/1054016789.db2.gz RSOQEUJQGKEBMQ-UHFFFAOYSA-N 1 2 315.280 4.335 20 30 DIEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc3ccsc3c2)C1 ZINC001232613997 1054083539 /nfs/dbraw/zinc/08/35/39/1054083539.db2.gz IFHONWNPFYIBJD-UHFFFAOYSA-N 1 2 320.417 4.036 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)cc1Cl)Cc1cc(C#N)ccc1O ZINC001232674236 1054098814 /nfs/dbraw/zinc/09/88/14/1054098814.db2.gz UHKNQKRCTQMRPB-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)cc1Cl)Cc1cc(C#N)ccc1O ZINC001232674236 1054098820 /nfs/dbraw/zinc/09/88/20/1054098820.db2.gz UHKNQKRCTQMRPB-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)s1 ZINC001232846950 1054129936 /nfs/dbraw/zinc/12/99/36/1054129936.db2.gz PVWQNRVCJIQSHG-UHFFFAOYSA-N 1 2 322.355 4.197 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)s1 ZINC001232846950 1054129942 /nfs/dbraw/zinc/12/99/42/1054129942.db2.gz PVWQNRVCJIQSHG-UHFFFAOYSA-N 1 2 322.355 4.197 20 30 DIEDLO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001232845134 1054130704 /nfs/dbraw/zinc/13/07/04/1054130704.db2.gz PBEWDNWQXBKLQP-KRWDZBQOSA-N 1 2 312.438 4.103 20 30 DIEDLO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001232845134 1054130713 /nfs/dbraw/zinc/13/07/13/1054130713.db2.gz PBEWDNWQXBKLQP-KRWDZBQOSA-N 1 2 312.438 4.103 20 30 DIEDLO Cc1ccccc1OC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001232888721 1054141985 /nfs/dbraw/zinc/14/19/85/1054141985.db2.gz MWLRUTQUXNZSNA-UHFFFAOYSA-N 1 2 324.399 4.049 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1F ZINC001233210643 1054201149 /nfs/dbraw/zinc/20/11/49/1054201149.db2.gz JWNAHNVIKLWVRO-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1F ZINC001233210643 1054201155 /nfs/dbraw/zinc/20/11/55/1054201155.db2.gz JWNAHNVIKLWVRO-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1snnc1C)c1ccc(F)c(F)c1 ZINC001341139895 1054377760 /nfs/dbraw/zinc/37/77/60/1054377760.db2.gz UDSMFAGSPXEBPN-XPTSAGLGSA-N 1 2 309.385 4.093 20 30 DIEDLO COc1c(C)c[nH+]c(CSCc2ccc(C#N)cc2F)c1C ZINC001341848217 1054410166 /nfs/dbraw/zinc/41/01/66/1054410166.db2.gz CYETXCKFVPYTLC-UHFFFAOYSA-N 1 2 316.401 4.151 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(Br)c(Cl)c1C ZINC001238224233 1054550223 /nfs/dbraw/zinc/55/02/23/1054550223.db2.gz WENOXUOMNBVCSL-UHFFFAOYSA-N 1 2 315.642 4.147 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(Br)c(Cl)c1C ZINC001238224233 1054550238 /nfs/dbraw/zinc/55/02/38/1054550238.db2.gz WENOXUOMNBVCSL-UHFFFAOYSA-N 1 2 315.642 4.147 20 30 DIEDLO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(C(=[NH2+])OCC)cc2)O1 ZINC001234587618 1054551698 /nfs/dbraw/zinc/55/16/98/1054551698.db2.gz CHJCTDLIBKZOJY-LPHOPBHVSA-N 1 2 317.429 4.330 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cccn1C1CC1)c1ccc(Cl)cc1F ZINC001347791245 1054583613 /nfs/dbraw/zinc/58/36/13/1054583613.db2.gz BABQCJMYRITTFS-QGZVFWFLSA-N 1 2 302.780 4.080 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000178756001 1054657173 /nfs/dbraw/zinc/65/71/73/1054657173.db2.gz BLTSRMXUEHGFOJ-LJQANCHMSA-N 1 2 316.408 4.211 20 30 DIEDLO N#CCc1ccccc1C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001235525181 1054737151 /nfs/dbraw/zinc/73/71/51/1054737151.db2.gz KGIDNBWOVBJEPY-UHFFFAOYSA-N 1 2 302.377 4.057 20 30 DIEDLO N#CCc1ccccc1C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001235525181 1054737170 /nfs/dbraw/zinc/73/71/70/1054737170.db2.gz KGIDNBWOVBJEPY-UHFFFAOYSA-N 1 2 302.377 4.057 20 30 DIEDLO COc1cc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)ccc1C#N ZINC000516124766 1054753018 /nfs/dbraw/zinc/75/30/18/1054753018.db2.gz YHFGGLKZUSZENE-UHFFFAOYSA-N 1 2 324.428 4.216 20 30 DIEDLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235662817 1054763677 /nfs/dbraw/zinc/76/36/77/1054763677.db2.gz JCLSIOFFTWJHEQ-LJQANCHMSA-N 1 2 312.363 4.346 20 30 DIEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235662817 1054763693 /nfs/dbraw/zinc/76/36/93/1054763693.db2.gz JCLSIOFFTWJHEQ-LJQANCHMSA-N 1 2 312.363 4.346 20 30 DIEDLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235662816 1054764051 /nfs/dbraw/zinc/76/40/51/1054764051.db2.gz JCLSIOFFTWJHEQ-IBGZPJMESA-N 1 2 312.363 4.346 20 30 DIEDLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235662816 1054764066 /nfs/dbraw/zinc/76/40/66/1054764066.db2.gz JCLSIOFFTWJHEQ-IBGZPJMESA-N 1 2 312.363 4.346 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001237018030 1055339555 /nfs/dbraw/zinc/33/95/55/1055339555.db2.gz STZCQAJUESTTOL-UHFFFAOYSA-N 1 2 315.367 4.152 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001237018030 1055339564 /nfs/dbraw/zinc/33/95/64/1055339564.db2.gz STZCQAJUESTTOL-UHFFFAOYSA-N 1 2 315.367 4.152 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1c(O)ccc(Cl)c1Cl ZINC001237087609 1055367358 /nfs/dbraw/zinc/36/73/58/1055367358.db2.gz ZQSNMGJKHFUFFI-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(O)ccc(Cl)c1Cl ZINC001237087609 1055367369 /nfs/dbraw/zinc/36/73/69/1055367369.db2.gz ZQSNMGJKHFUFFI-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC001237708645 1055511938 /nfs/dbraw/zinc/51/19/38/1055511938.db2.gz QQCAODWJTBPUAA-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC001237708645 1055511946 /nfs/dbraw/zinc/51/19/46/1055511946.db2.gz QQCAODWJTBPUAA-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO Cc1cc(C(F)(F)F)ccc1CNc1cc(CC#N)cc[nH+]1 ZINC000615488006 1055546499 /nfs/dbraw/zinc/54/64/99/1055546499.db2.gz XLGWHJKHWUVLDQ-UHFFFAOYSA-N 1 2 305.303 4.087 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237921903 1055559306 /nfs/dbraw/zinc/55/93/06/1055559306.db2.gz XDNCJAVZFDXZSH-LJQANCHMSA-N 1 2 306.409 4.001 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237921903 1055559319 /nfs/dbraw/zinc/55/93/19/1055559319.db2.gz XDNCJAVZFDXZSH-LJQANCHMSA-N 1 2 306.409 4.001 20 30 DIEDLO CC(C)Oc1cccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1F ZINC001238425332 1055655387 /nfs/dbraw/zinc/65/53/87/1055655387.db2.gz WMWGPFNGPOVLHD-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1cccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1F ZINC001238425332 1055655390 /nfs/dbraw/zinc/65/53/90/1055655390.db2.gz WMWGPFNGPOVLHD-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CCCCOc1ncc(C[N@@H+](CCC#N)CCCC)cc1C ZINC001238489999 1055670587 /nfs/dbraw/zinc/67/05/87/1055670587.db2.gz WFNJNYQWTFZDHZ-UHFFFAOYSA-N 1 2 303.450 4.085 20 30 DIEDLO CCCCOc1ncc(C[N@H+](CCC#N)CCCC)cc1C ZINC001238489999 1055670596 /nfs/dbraw/zinc/67/05/96/1055670596.db2.gz WFNJNYQWTFZDHZ-UHFFFAOYSA-N 1 2 303.450 4.085 20 30 DIEDLO CC(C)Oc1c(F)ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001238530055 1055680957 /nfs/dbraw/zinc/68/09/57/1055680957.db2.gz NCWQOLXJPFNOSG-XMQYKBBCSA-N 1 2 320.383 4.019 20 30 DIEDLO CC(C)Oc1c(F)ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001238530055 1055680960 /nfs/dbraw/zinc/68/09/60/1055680960.db2.gz NCWQOLXJPFNOSG-XMQYKBBCSA-N 1 2 320.383 4.019 20 30 DIEDLO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)c(OCc2ccccc2)cc1C ZINC001238764783 1055743754 /nfs/dbraw/zinc/74/37/54/1055743754.db2.gz ZWSXVIUVKKERLL-IBGZPJMESA-N 1 2 320.436 4.228 20 30 DIEDLO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)c(OCc2ccccc2)cc1C ZINC001238764783 1055743766 /nfs/dbraw/zinc/74/37/66/1055743766.db2.gz ZWSXVIUVKKERLL-IBGZPJMESA-N 1 2 320.436 4.228 20 30 DIEDLO N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001238844121 1055766530 /nfs/dbraw/zinc/76/65/30/1055766530.db2.gz VAOVREABWNNJSY-UHFFFAOYSA-N 1 2 313.282 4.430 20 30 DIEDLO C=C1CC(C)(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC001542573857 1056139312 /nfs/dbraw/zinc/13/93/12/1056139312.db2.gz JHHBZVVLTMVWEQ-UHFFFAOYSA-N 1 2 321.424 4.181 20 30 DIEDLO COc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1Cl ZINC001240032251 1056267683 /nfs/dbraw/zinc/26/76/83/1056267683.db2.gz MHGRPHGKOSUWQM-RGVLZGJSSA-N 1 2 313.788 4.109 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3ncsc3c2)cc1C#N ZINC001240347320 1056440108 /nfs/dbraw/zinc/44/01/08/1056440108.db2.gz YXVOVSNAZHTTQJ-VXLYETTFSA-N 1 2 306.394 4.056 20 30 DIEDLO C=C[C@@H](CC)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001586212410 1056694011 /nfs/dbraw/zinc/69/40/11/1056694011.db2.gz VDFAWCGZJCVSTB-HNNXBMFYSA-N 1 2 323.440 4.427 20 30 DIEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC001617603665 1056856021 /nfs/dbraw/zinc/85/60/21/1056856021.db2.gz BOWWBXZRMCQQOQ-SNVBAGLBSA-N 1 2 309.196 4.102 20 30 DIEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC001617603665 1056856024 /nfs/dbraw/zinc/85/60/24/1056856024.db2.gz BOWWBXZRMCQQOQ-SNVBAGLBSA-N 1 2 309.196 4.102 20 30 DIEDLO CCOc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1C ZINC001241197996 1056954202 /nfs/dbraw/zinc/95/42/02/1056954202.db2.gz HQILFHXABKTFIQ-FYJGNVAPSA-N 1 2 307.397 4.154 20 30 DIEDLO C[N@H+](Cc1sccc1Br)Cc1ccc(C#N)cc1 ZINC000067963418 1056961650 /nfs/dbraw/zinc/96/16/50/1056961650.db2.gz DYHIQUHTXGJJRT-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1sccc1Br)Cc1ccc(C#N)cc1 ZINC000067963418 1056961655 /nfs/dbraw/zinc/96/16/55/1056961655.db2.gz DYHIQUHTXGJJRT-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO COc1cc(CNc2cc[nH+]c3c(Cl)cccc23)ccc1C#N ZINC000555142785 1057029424 /nfs/dbraw/zinc/02/94/24/1057029424.db2.gz NYORXSXMVLOYGA-UHFFFAOYSA-N 1 2 323.783 4.381 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001143288792 1057505660 /nfs/dbraw/zinc/50/56/60/1057505660.db2.gz XCNRBBBPMIPHRB-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001143288792 1057505665 /nfs/dbraw/zinc/50/56/65/1057505665.db2.gz XCNRBBBPMIPHRB-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc2ccccc2c1OC(F)F ZINC000731155661 1057736113 /nfs/dbraw/zinc/73/61/13/1057736113.db2.gz OGSKSEOULDICBL-BQYQJAHWSA-N 1 2 314.291 4.060 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000732210899 1057769224 /nfs/dbraw/zinc/76/92/24/1057769224.db2.gz VEKVEXKCSLAEEZ-SIFCLUCFSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000732210899 1057769225 /nfs/dbraw/zinc/76/92/25/1057769225.db2.gz VEKVEXKCSLAEEZ-SIFCLUCFSA-N 1 2 324.399 4.048 20 30 DIEDLO CCOc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(C)c1C ZINC001244062395 1057854237 /nfs/dbraw/zinc/85/42/37/1057854237.db2.gz FVWUVYQIWPOYDU-LPYMAVHISA-N 1 2 321.424 4.462 20 30 DIEDLO C=CCOCc1cccc(-c2c[nH+]cn2Cc2ccccc2)c1 ZINC001245200263 1058127145 /nfs/dbraw/zinc/12/71/45/1058127145.db2.gz ISASUNUJBFIINX-UHFFFAOYSA-N 1 2 304.393 4.301 20 30 DIEDLO CC#CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC001559877174 1059694724 /nfs/dbraw/zinc/69/47/24/1059694724.db2.gz PKWMCNSARSEFMV-UHFFFAOYSA-N 1 2 319.235 4.414 20 30 DIEDLO CC#CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC001559877174 1059694733 /nfs/dbraw/zinc/69/47/33/1059694733.db2.gz PKWMCNSARSEFMV-UHFFFAOYSA-N 1 2 319.235 4.414 20 30 DIEDLO Fc1ccc(C#CC[NH2+]C2(c3c(F)cccc3F)CCC2)cc1 ZINC001560046457 1059862328 /nfs/dbraw/zinc/86/23/28/1059862328.db2.gz PSURDWDETWFXCJ-UHFFFAOYSA-N 1 2 315.338 4.124 20 30 DIEDLO C=CCC[N@H+](Cc1ccccc1)Cc1c(Cl)ccnc1OC ZINC001248794426 1059980873 /nfs/dbraw/zinc/98/08/73/1059980873.db2.gz ODRZLNYSLJYBJO-UHFFFAOYSA-N 1 2 316.832 4.322 20 30 DIEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1c(Cl)ccnc1OC ZINC001248794426 1059980893 /nfs/dbraw/zinc/98/08/93/1059980893.db2.gz ODRZLNYSLJYBJO-UHFFFAOYSA-N 1 2 316.832 4.322 20 30 DIEDLO C#Cc1ccc(CNc2[nH+]c3ccccc3n2CC2CC2)cc1 ZINC001560595868 1060407938 /nfs/dbraw/zinc/40/79/38/1060407938.db2.gz PQYQVXDPSCLTHW-UHFFFAOYSA-N 1 2 301.393 4.040 20 30 DIEDLO N#CCC1CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC001249946002 1060501058 /nfs/dbraw/zinc/50/10/58/1060501058.db2.gz ZTUWIURKUGNDPW-UHFFFAOYSA-N 1 2 301.192 4.258 20 30 DIEDLO CN(C)c1ccc(Cc2ccc(-c3ccccc3C#N)cc2)c[nH+]1 ZINC001250280153 1060751196 /nfs/dbraw/zinc/75/11/96/1060751196.db2.gz OLTJXWWZZOKAGZ-UHFFFAOYSA-N 1 2 313.404 4.277 20 30 DIEDLO N#Cc1ccccc1-c1ccc(Cc2ccn3cc[nH+]c3c2)cc1 ZINC001250280186 1060751316 /nfs/dbraw/zinc/75/13/16/1060751316.db2.gz QFHNWIWOOFGEPW-UHFFFAOYSA-N 1 2 309.372 4.464 20 30 DIEDLO CC(C)Oc1c(F)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001250293637 1060761205 /nfs/dbraw/zinc/76/12/05/1060761205.db2.gz ZPWXZSBZDVSRMQ-ZDUSSCGKSA-N 1 2 324.827 4.392 20 30 DIEDLO CC(C)Oc1c(F)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001250293637 1060761215 /nfs/dbraw/zinc/76/12/15/1060761215.db2.gz ZPWXZSBZDVSRMQ-ZDUSSCGKSA-N 1 2 324.827 4.392 20 30 DIEDLO C=C(Cl)C[C@@H]([NH2+][C@H](CC)CCc1ccccc1)C(=O)OCC ZINC001462504593 1061212483 /nfs/dbraw/zinc/21/24/83/1061212483.db2.gz IWQFRPTZSJPNCL-IAGOWNOFSA-N 1 2 323.864 4.062 20 30 DIEDLO Cc1ccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)c(C#N)c1 ZINC001251240043 1061285642 /nfs/dbraw/zinc/28/56/42/1061285642.db2.gz NFBRTUMTEYKUJQ-UHFFFAOYSA-N 1 2 302.381 4.010 20 30 DIEDLO C=CC[C@H]1CCC[N@@H+]([C@H](C(=O)OCC)c2cccc(Cl)c2)C1 ZINC001473626965 1061299917 /nfs/dbraw/zinc/29/99/17/1061299917.db2.gz AXHKPIPPEQLSES-YOEHRIQHSA-N 1 2 321.848 4.232 20 30 DIEDLO C=CC[C@H]1CCC[N@H+]([C@H](C(=O)OCC)c2cccc(Cl)c2)C1 ZINC001473626965 1061299937 /nfs/dbraw/zinc/29/99/37/1061299937.db2.gz AXHKPIPPEQLSES-YOEHRIQHSA-N 1 2 321.848 4.232 20 30 DIEDLO CCOc1c(Cl)cccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC001462617076 1061301786 /nfs/dbraw/zinc/30/17/86/1061301786.db2.gz LDTOIFGUXWUZIL-UHFFFAOYSA-N 1 2 320.845 4.304 20 30 DIEDLO CCOc1c(Cl)cccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC001462617076 1061301803 /nfs/dbraw/zinc/30/18/03/1061301803.db2.gz LDTOIFGUXWUZIL-UHFFFAOYSA-N 1 2 320.845 4.304 20 30 DIEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001473771033 1061399413 /nfs/dbraw/zinc/39/94/13/1061399413.db2.gz RZAFHZNLABDDRN-GFCCVEGCSA-N 1 2 314.791 4.470 20 30 DIEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001473771033 1061399428 /nfs/dbraw/zinc/39/94/28/1061399428.db2.gz RZAFHZNLABDDRN-GFCCVEGCSA-N 1 2 314.791 4.470 20 30 DIEDLO N#Cc1ccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)c(Cl)c1 ZINC001251703539 1061450274 /nfs/dbraw/zinc/45/02/74/1061450274.db2.gz SVDOJWJRJFAFBW-UHFFFAOYSA-N 1 2 322.799 4.355 20 30 DIEDLO Cc1cc(N[C@H]2CCc3cc(C#N)ccc32)nc(C2CCC2)[nH+]1 ZINC001458359339 1061721771 /nfs/dbraw/zinc/72/17/71/1061721771.db2.gz WRVZNBBUJYKETI-KRWDZBQOSA-N 1 2 304.397 4.024 20 30 DIEDLO CCCCCCCCCC[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC001252979271 1061769902 /nfs/dbraw/zinc/76/99/02/1061769902.db2.gz JNRNJNXWATVRDE-SFHVURJKSA-N 1 2 304.478 4.289 20 30 DIEDLO CCCCCCCCCC[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC001252979271 1061769923 /nfs/dbraw/zinc/76/99/23/1061769923.db2.gz JNRNJNXWATVRDE-SFHVURJKSA-N 1 2 304.478 4.289 20 30 DIEDLO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252982349 1061772994 /nfs/dbraw/zinc/77/29/94/1061772994.db2.gz CBYHZRDYFAZMML-QGZVFWFLSA-N 1 2 322.493 4.233 20 30 DIEDLO CCCCCCCCCC[C@@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252982349 1061773007 /nfs/dbraw/zinc/77/30/07/1061773007.db2.gz CBYHZRDYFAZMML-QGZVFWFLSA-N 1 2 322.493 4.233 20 30 DIEDLO CCCCCCCCCC[C@@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC001252986207 1061777816 /nfs/dbraw/zinc/77/78/16/1061777816.db2.gz UDTABXLSETUNGO-LJQANCHMSA-N 1 2 304.478 4.289 20 30 DIEDLO CCCCCCCCCC[C@@H](O)C[N@H+]1Cc2ccncc2C1 ZINC001252986207 1061777834 /nfs/dbraw/zinc/77/78/34/1061777834.db2.gz UDTABXLSETUNGO-LJQANCHMSA-N 1 2 304.478 4.289 20 30 DIEDLO CCCCCCCC[C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001465976273 1061853678 /nfs/dbraw/zinc/85/36/78/1061853678.db2.gz LVMMBTXMFCACEP-MRXNPFEDSA-N 1 2 315.461 4.337 20 30 DIEDLO C=CCC1(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001466755424 1062000908 /nfs/dbraw/zinc/00/09/08/1062000908.db2.gz QKPYUVNTKDTLTB-UHFFFAOYSA-N 1 2 301.434 4.407 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)c(F)c1F)[C@H]1CCc2ccccc21 ZINC001474388186 1062039753 /nfs/dbraw/zinc/03/97/53/1062039753.db2.gz XYRWYTWISSCNAD-KRWDZBQOSA-N 1 2 315.338 4.227 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)c(F)c1F)[C@H]1CCc2ccccc21 ZINC001474388186 1062039769 /nfs/dbraw/zinc/03/97/69/1062039769.db2.gz XYRWYTWISSCNAD-KRWDZBQOSA-N 1 2 315.338 4.227 20 30 DIEDLO Cc1ccc([C@@H](C)[N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])c(C)c1 ZINC001459353890 1062106480 /nfs/dbraw/zinc/10/64/80/1062106480.db2.gz WPLYCEKDYMPKRI-OAHLLOKOSA-N 1 2 323.396 4.276 20 30 DIEDLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])c(C)c1 ZINC001459353890 1062106495 /nfs/dbraw/zinc/10/64/95/1062106495.db2.gz WPLYCEKDYMPKRI-OAHLLOKOSA-N 1 2 323.396 4.276 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)ccc1OC ZINC001459403150 1062131765 /nfs/dbraw/zinc/13/17/65/1062131765.db2.gz FZGIBDZNLNKPGH-UHFFFAOYSA-N 1 2 317.791 4.123 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(Cl)ccc1OC ZINC001459403150 1062131772 /nfs/dbraw/zinc/13/17/72/1062131772.db2.gz FZGIBDZNLNKPGH-UHFFFAOYSA-N 1 2 317.791 4.123 20 30 DIEDLO CC[C@H](CC#N)[NH+]1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC001255178210 1062353385 /nfs/dbraw/zinc/35/33/85/1062353385.db2.gz CPECBZCJCQDHSG-HXUWFJFHSA-N 1 2 319.452 4.168 20 30 DIEDLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001474704076 1062429268 /nfs/dbraw/zinc/42/92/68/1062429268.db2.gz JWRPDWMQWAJSIR-SSUFTNFISA-N 1 2 308.347 4.344 20 30 DIEDLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CCC[C@@H](C#N)C1 ZINC001474704076 1062429275 /nfs/dbraw/zinc/42/92/75/1062429275.db2.gz JWRPDWMQWAJSIR-SSUFTNFISA-N 1 2 308.347 4.344 20 30 DIEDLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001474704077 1062429351 /nfs/dbraw/zinc/42/93/51/1062429351.db2.gz JWRPDWMQWAJSIR-XXYUJHKVSA-N 1 2 308.347 4.344 20 30 DIEDLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CCC[C@@H](C#N)C1 ZINC001474704077 1062429363 /nfs/dbraw/zinc/42/93/63/1062429363.db2.gz JWRPDWMQWAJSIR-XXYUJHKVSA-N 1 2 308.347 4.344 20 30 DIEDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001460447838 1062859601 /nfs/dbraw/zinc/85/96/01/1062859601.db2.gz VWQPMTCLMNABNQ-IBGZPJMESA-N 1 2 324.399 4.049 20 30 DIEDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001460447838 1062859618 /nfs/dbraw/zinc/85/96/18/1062859618.db2.gz VWQPMTCLMNABNQ-IBGZPJMESA-N 1 2 324.399 4.049 20 30 DIEDLO CCCCCCC[C@@H](C)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC001477550702 1062906230 /nfs/dbraw/zinc/90/62/30/1062906230.db2.gz CIEWPXUXHCWXBF-OAHLLOKOSA-N 1 2 319.493 4.494 20 30 DIEDLO C#CC[N@H+](Cc1noc2c1CCCC2)[C@@H]1CCCc2ccccc21 ZINC001460825955 1063084982 /nfs/dbraw/zinc/08/49/82/1063084982.db2.gz LUGOGYSFASBAON-HXUWFJFHSA-N 1 2 320.436 4.066 20 30 DIEDLO C#CC[N@@H+](Cc1noc2c1CCCC2)[C@@H]1CCCc2ccccc21 ZINC001460825955 1063085004 /nfs/dbraw/zinc/08/50/04/1063085004.db2.gz LUGOGYSFASBAON-HXUWFJFHSA-N 1 2 320.436 4.066 20 30 DIEDLO CCCCCC1CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001257374280 1063242133 /nfs/dbraw/zinc/24/21/33/1063242133.db2.gz WBADDIMRGQASGK-PREGVCBESA-N 1 2 307.503 4.400 20 30 DIEDLO CCCCCC1CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001257374280 1063242153 /nfs/dbraw/zinc/24/21/53/1063242153.db2.gz WBADDIMRGQASGK-PREGVCBESA-N 1 2 307.503 4.400 20 30 DIEDLO C=CCOc1ccccc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001461205878 1063329863 /nfs/dbraw/zinc/32/98/63/1063329863.db2.gz YMSGYGJDFYKLQY-UHFFFAOYSA-N 1 2 321.779 4.039 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCSC(F)(F)F ZINC001473179819 1063485464 /nfs/dbraw/zinc/48/54/64/1063485464.db2.gz JHBVHHGCYPPFRX-ZIAGYGMSSA-N 1 2 314.376 4.011 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCSC(F)(F)F ZINC001473179819 1063485471 /nfs/dbraw/zinc/48/54/71/1063485471.db2.gz JHBVHHGCYPPFRX-ZIAGYGMSSA-N 1 2 314.376 4.011 20 30 DIEDLO C=CCCCCCN(C)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001293770102 1064830823 /nfs/dbraw/zinc/83/08/23/1064830823.db2.gz HDMIVVHHBJXSRF-UHFFFAOYSA-N 1 2 323.440 4.066 20 30 DIEDLO C=CC[C@H]1N(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCC1(C)C ZINC001297187210 1064973597 /nfs/dbraw/zinc/97/35/97/1064973597.db2.gz ZAPFFGMMHUSLRH-IAGOWNOFSA-N 1 2 317.477 4.064 20 30 DIEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C#CCC ZINC001307449625 1065407434 /nfs/dbraw/zinc/40/74/34/1065407434.db2.gz ONKFPCVTLSNVBB-ZDUSSCGKSA-N 1 2 324.237 4.378 20 30 DIEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C#CCC ZINC001307449625 1065407439 /nfs/dbraw/zinc/40/74/39/1065407439.db2.gz ONKFPCVTLSNVBB-ZDUSSCGKSA-N 1 2 324.237 4.378 20 30 DIEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC001307664560 1065548326 /nfs/dbraw/zinc/54/83/26/1065548326.db2.gz KUCICZBTXJVHBI-SECBINFHSA-N 1 2 321.789 4.032 20 30 DIEDLO C=CC[N@@H+](CCOC)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001307735666 1065594849 /nfs/dbraw/zinc/59/48/49/1065594849.db2.gz IHPCZSCERPLELA-UHFFFAOYSA-N 1 2 322.518 4.028 20 30 DIEDLO C=CC[N@H+](CCOC)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001307735666 1065594865 /nfs/dbraw/zinc/59/48/65/1065594865.db2.gz IHPCZSCERPLELA-UHFFFAOYSA-N 1 2 322.518 4.028 20 30 DIEDLO C[C@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)c1cccc(C#N)c1 ZINC001307874398 1065665183 /nfs/dbraw/zinc/66/51/83/1065665183.db2.gz BTZFQIDWGJKNIX-HNAYVOBHSA-N 1 2 317.392 4.181 20 30 DIEDLO CCCCCCCCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001310463000 1066526387 /nfs/dbraw/zinc/52/63/87/1066526387.db2.gz JQFWTUOCVXVZNM-UHFFFAOYSA-N 1 2 320.481 4.328 20 30 DIEDLO CCCCCCCCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC001311550877 1066660615 /nfs/dbraw/zinc/66/06/15/1066660615.db2.gz DVHGHALEIBJKRP-UHFFFAOYSA-N 1 2 305.466 4.248 20 30 DIEDLO C=C(C)CN(Cc1ccccc1)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287695116 335046543 /nfs/dbraw/zinc/04/65/43/335046543.db2.gz ZFYYCNWDVSLANK-UHFFFAOYSA-N 1 2 309.413 4.309 20 30 DIEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nc(C(C)C)no1 ZINC000298012590 132044045 /nfs/dbraw/zinc/04/40/45/132044045.db2.gz ZCHBNSFTVOFXIN-AWEZNQCLSA-N 1 2 312.417 4.038 20 30 DIEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nc(C(C)C)no1 ZINC000298012590 132044047 /nfs/dbraw/zinc/04/40/47/132044047.db2.gz ZCHBNSFTVOFXIN-AWEZNQCLSA-N 1 2 312.417 4.038 20 30 DIEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000556573369 331717531 /nfs/dbraw/zinc/71/75/31/331717531.db2.gz QIXBEFXKVXFKDZ-UHFFFAOYSA-N 1 2 322.408 4.091 20 30 DIEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000559188523 331986583 /nfs/dbraw/zinc/98/65/83/331986583.db2.gz GJNPOIKFWMCEGI-HNNXBMFYSA-N 1 2 307.372 4.026 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccnn1C(C)C ZINC000410297882 332109520 /nfs/dbraw/zinc/10/95/20/332109520.db2.gz NOHVWTSORXMSHK-UHFFFAOYSA-N 1 2 309.866 4.367 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccnn1C(C)C ZINC000410297882 332109521 /nfs/dbraw/zinc/10/95/21/332109521.db2.gz NOHVWTSORXMSHK-UHFFFAOYSA-N 1 2 309.866 4.367 20 30 DIEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000428255024 332189007 /nfs/dbraw/zinc/18/90/07/332189007.db2.gz IVWTVKUZPYFERR-QZTJIDSGSA-N 1 2 323.440 4.378 20 30 DIEDLO Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000428255024 332189009 /nfs/dbraw/zinc/18/90/09/332189009.db2.gz IVWTVKUZPYFERR-QZTJIDSGSA-N 1 2 323.440 4.378 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1cnc(C)cn1)c1ccc(F)c(F)c1 ZINC000428427447 332191507 /nfs/dbraw/zinc/19/15/07/332191507.db2.gz RVTJIPNHZOAYJX-SJCJKPOMSA-N 1 2 303.356 4.031 20 30 DIEDLO CC#CC[N@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000292989880 335099173 /nfs/dbraw/zinc/09/91/73/335099173.db2.gz CCFFRXYETHBCOI-SNVBAGLBSA-N 1 2 324.211 4.060 20 30 DIEDLO CC#CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000292989880 335099174 /nfs/dbraw/zinc/09/91/74/335099174.db2.gz CCFFRXYETHBCOI-SNVBAGLBSA-N 1 2 324.211 4.060 20 30 DIEDLO FC(F)(F)CC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000560169413 332316731 /nfs/dbraw/zinc/31/67/31/332316731.db2.gz XDUQOJDKEPBFOG-UHFFFAOYSA-N 1 2 315.766 4.356 20 30 DIEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000560256342 332324839 /nfs/dbraw/zinc/32/48/39/332324839.db2.gz KVNHDXUIRUFNAJ-QGZVFWFLSA-N 1 2 320.436 4.355 20 30 DIEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000560277096 332326464 /nfs/dbraw/zinc/32/64/64/332326464.db2.gz OFQOLCTYAUIARO-CVEARBPZSA-N 1 2 300.446 4.201 20 30 DIEDLO C[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)CC(C)(C)C#N ZINC000560569705 332360807 /nfs/dbraw/zinc/36/08/07/332360807.db2.gz PXVRZPUARJMNLY-UHFFFAOYSA-N 1 2 319.861 4.445 20 30 DIEDLO C[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)CC(C)(C)C#N ZINC000560569705 332360808 /nfs/dbraw/zinc/36/08/08/332360808.db2.gz PXVRZPUARJMNLY-UHFFFAOYSA-N 1 2 319.861 4.445 20 30 DIEDLO C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000560569108 332361043 /nfs/dbraw/zinc/36/10/43/332361043.db2.gz BTADJFBWKFRTLI-UHFFFAOYSA-N 1 2 304.743 4.340 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000560569108 332361044 /nfs/dbraw/zinc/36/10/44/332361044.db2.gz BTADJFBWKFRTLI-UHFFFAOYSA-N 1 2 304.743 4.340 20 30 DIEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1Cl ZINC000352834962 332383422 /nfs/dbraw/zinc/38/34/22/332383422.db2.gz MWPUIVJZZAJVBN-MRVPVSSYSA-N 1 2 312.225 4.172 20 30 DIEDLO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C)[nH+]c1C ZINC000176723001 332954768 /nfs/dbraw/zinc/95/47/68/332954768.db2.gz LQCJCAUZHJCGCM-UHFFFAOYSA-N 1 2 313.376 4.058 20 30 DIEDLO CCCCCCC[C@H]([NH2+]Cc1ncn(C)n1)c1ccccc1 ZINC000179592746 333152918 /nfs/dbraw/zinc/15/29/18/333152918.db2.gz LCYOEKRZDSKYOM-KRWDZBQOSA-N 1 2 300.450 4.007 20 30 DIEDLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(OCC#N)cc1 ZINC000182957432 333181888 /nfs/dbraw/zinc/18/18/88/333181888.db2.gz GQGWZTLFDWMMAS-OAHLLOKOSA-N 1 2 321.424 4.144 20 30 DIEDLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(OCC#N)cc1 ZINC000182957432 333181889 /nfs/dbraw/zinc/18/18/89/333181889.db2.gz GQGWZTLFDWMMAS-OAHLLOKOSA-N 1 2 321.424 4.144 20 30 DIEDLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(OCC#N)cc1 ZINC000182957412 333181985 /nfs/dbraw/zinc/18/19/85/333181985.db2.gz GQGWZTLFDWMMAS-HNNXBMFYSA-N 1 2 321.424 4.144 20 30 DIEDLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(OCC#N)cc1 ZINC000182957412 333181986 /nfs/dbraw/zinc/18/19/86/333181986.db2.gz GQGWZTLFDWMMAS-HNNXBMFYSA-N 1 2 321.424 4.144 20 30 DIEDLO N#C[C@@H]1CCC[C@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000185741339 333213106 /nfs/dbraw/zinc/21/31/06/333213106.db2.gz JOSPYNZIBYLMHB-QAPCUYQASA-N 1 2 320.440 4.381 20 30 DIEDLO C[C@H](C[N@H+](CCC#N)Cc1cccnc1)c1cccc(Cl)c1 ZINC000189534013 333259106 /nfs/dbraw/zinc/25/91/06/333259106.db2.gz OHZYLMSTEMHOPU-OAHLLOKOSA-N 1 2 313.832 4.254 20 30 DIEDLO C[C@H](C[N@@H+](CCC#N)Cc1cccnc1)c1cccc(Cl)c1 ZINC000189534013 333259107 /nfs/dbraw/zinc/25/91/07/333259107.db2.gz OHZYLMSTEMHOPU-OAHLLOKOSA-N 1 2 313.832 4.254 20 30 DIEDLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(C#N)cc1 ZINC000319759368 333402836 /nfs/dbraw/zinc/40/28/36/333402836.db2.gz DITMUQLYTXRQGN-OAHLLOKOSA-N 1 2 306.413 4.117 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1cccc(O)c1Cl)c1ccccc1 ZINC000339314950 333517873 /nfs/dbraw/zinc/51/78/73/333517873.db2.gz FOYAOFBWZHPMQX-HNNXBMFYSA-N 1 2 300.789 4.180 20 30 DIEDLO N#CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000411598559 333698221 /nfs/dbraw/zinc/69/82/21/333698221.db2.gz AOXACQZVLMTTTP-NSHDSACASA-N 1 2 310.241 4.202 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000343545636 335170968 /nfs/dbraw/zinc/17/09/68/335170968.db2.gz YYPXDHJZLDVJAL-FUHWJXTLSA-N 1 2 323.465 4.292 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000343545636 335170970 /nfs/dbraw/zinc/17/09/70/335170970.db2.gz YYPXDHJZLDVJAL-FUHWJXTLSA-N 1 2 323.465 4.292 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000272475567 334035200 /nfs/dbraw/zinc/03/52/00/334035200.db2.gz ALZWCLQTDFTFPU-UHFFFAOYSA-N 1 2 315.804 4.121 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000272640291 334038475 /nfs/dbraw/zinc/03/84/75/334038475.db2.gz XLDHDVHYSJXVDT-UHFFFAOYSA-N 1 2 312.442 4.012 20 30 DIEDLO N#C[C@H]1CCC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278514873 334097384 /nfs/dbraw/zinc/09/73/84/334097384.db2.gz RWHMHYKHQJRETI-DOTOQJQBSA-N 1 2 320.440 4.381 20 30 DIEDLO CC[N@H+](CCCC1(C#N)CCOCC1)c1cc(C)cc(C)c1 ZINC000281136717 334123304 /nfs/dbraw/zinc/12/33/04/334123304.db2.gz AHMXJBFSKLEAQV-UHFFFAOYSA-N 1 2 300.446 4.230 20 30 DIEDLO CC[N@@H+](CCCC1(C#N)CCOCC1)c1cc(C)cc(C)c1 ZINC000281136717 334123306 /nfs/dbraw/zinc/12/33/06/334123306.db2.gz AHMXJBFSKLEAQV-UHFFFAOYSA-N 1 2 300.446 4.230 20 30 DIEDLO Cc1ccc([N@@H+](CCCC2(C#N)CCOCC2)C(C)C)cc1 ZINC000281997120 334130414 /nfs/dbraw/zinc/13/04/14/334130414.db2.gz NGSYUDQCCRYHLC-UHFFFAOYSA-N 1 2 300.446 4.310 20 30 DIEDLO Cc1ccc([N@H+](CCCC2(C#N)CCOCC2)C(C)C)cc1 ZINC000281997120 334130416 /nfs/dbraw/zinc/13/04/16/334130416.db2.gz NGSYUDQCCRYHLC-UHFFFAOYSA-N 1 2 300.446 4.310 20 30 DIEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000287018320 334156097 /nfs/dbraw/zinc/15/60/97/334156097.db2.gz JOUVBBNWORAGQF-SFHVURJKSA-N 1 2 309.369 4.061 20 30 DIEDLO Cc1ccc(C2CCN(c3ccc(Cl)cc3C#N)CC2)c[nH+]1 ZINC000340785695 334385479 /nfs/dbraw/zinc/38/54/79/334385479.db2.gz VFJWUSIVODJAJN-UHFFFAOYSA-N 1 2 311.816 4.299 20 30 DIEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000417136178 334694925 /nfs/dbraw/zinc/69/49/25/334694925.db2.gz IBVSGZKKEUVORU-SFHVURJKSA-N 1 2 323.440 4.316 20 30 DIEDLO Cc1ccc(C[C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)s1 ZINC000331249065 334851078 /nfs/dbraw/zinc/85/10/78/334851078.db2.gz XHTHSPKREVQBRH-GFCCVEGCSA-N 1 2 317.458 4.334 20 30 DIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(C4CC4)cs3)CC2)cc1 ZINC000343768870 335191705 /nfs/dbraw/zinc/19/17/05/335191705.db2.gz PGSAMEQRDHZDPV-UHFFFAOYSA-N 1 2 321.449 4.181 20 30 DIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(C4CC4)cs3)CC2)cc1 ZINC000343768870 335191707 /nfs/dbraw/zinc/19/17/07/335191707.db2.gz PGSAMEQRDHZDPV-UHFFFAOYSA-N 1 2 321.449 4.181 20 30 DIEDLO C[N@H+](Cc1csc(C2CCCC2)n1)Cc1cccc(C#N)c1 ZINC000344079911 335215973 /nfs/dbraw/zinc/21/59/73/335215973.db2.gz GNSXBRFYKHISAV-UHFFFAOYSA-N 1 2 311.454 4.304 20 30 DIEDLO C[N@@H+](Cc1csc(C2CCCC2)n1)Cc1cccc(C#N)c1 ZINC000344079911 335215974 /nfs/dbraw/zinc/21/59/74/335215974.db2.gz GNSXBRFYKHISAV-UHFFFAOYSA-N 1 2 311.454 4.304 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000345857100 335356128 /nfs/dbraw/zinc/35/61/28/335356128.db2.gz BLYWFUUGWGUWPV-SNVBAGLBSA-N 1 2 303.258 4.319 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)CCSc1cc(Cl)ccc1Cl ZINC000345857100 335356129 /nfs/dbraw/zinc/35/61/29/335356129.db2.gz BLYWFUUGWGUWPV-SNVBAGLBSA-N 1 2 303.258 4.319 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000346215330 335384819 /nfs/dbraw/zinc/38/48/19/335384819.db2.gz PVIROFDOJKJNNM-UHFFFAOYSA-N 1 2 310.397 4.223 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000346215330 335384821 /nfs/dbraw/zinc/38/48/21/335384821.db2.gz PVIROFDOJKJNNM-UHFFFAOYSA-N 1 2 310.397 4.223 20 30 DIEDLO Cc1ccc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)c(C)[nH+]1 ZINC000330022217 336106692 /nfs/dbraw/zinc/10/66/92/336106692.db2.gz ZEPNVZUMWJNDDV-UHFFFAOYSA-N 1 2 315.417 4.212 20 30 DIEDLO N#Cc1csc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)n1 ZINC000352809007 336243352 /nfs/dbraw/zinc/24/33/52/336243352.db2.gz FEBXSGDRYNYJBR-GOSISDBHSA-N 1 2 323.396 4.033 20 30 DIEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(C#N)cc1C(F)(F)F ZINC000301749378 336327501 /nfs/dbraw/zinc/32/75/01/336327501.db2.gz HTAISDJSQSZIKK-UHFFFAOYSA-N 1 2 322.334 4.042 20 30 DIEDLO Cc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)c(C)[nH+]1 ZINC000356134587 336537772 /nfs/dbraw/zinc/53/77/72/336537772.db2.gz JPQFKMDBRFVBBQ-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO C#Cc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000367373596 336733464 /nfs/dbraw/zinc/73/34/64/336733464.db2.gz XJZFJVOVSFCLCE-GOSISDBHSA-N 1 2 304.418 4.004 20 30 DIEDLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccc(C#N)cc1 ZINC000367677707 336827883 /nfs/dbraw/zinc/82/78/83/336827883.db2.gz GOKGZAIRAKJBFX-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO N#C[C@@H]1CCC[C@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)C1 ZINC000377084998 337046503 /nfs/dbraw/zinc/04/65/03/337046503.db2.gz VJGOCYCTBZAYBJ-WBVHZDCISA-N 1 2 320.440 4.381 20 30 DIEDLO C=CCCCC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000175388166 337145614 /nfs/dbraw/zinc/14/56/14/337145614.db2.gz KJMSTCITYHUENZ-UHFFFAOYSA-N 1 2 309.413 4.181 20 30 DIEDLO Cc1nc(C(F)(F)F)c(C[N@@H+](CCC#N)CCC(C)C)s1 ZINC000183601981 337193833 /nfs/dbraw/zinc/19/38/33/337193833.db2.gz AAUMJQFHZLNLIC-UHFFFAOYSA-N 1 2 319.396 4.232 20 30 DIEDLO Cc1nc(C(F)(F)F)c(C[N@H+](CCC#N)CCC(C)C)s1 ZINC000183601981 337193834 /nfs/dbraw/zinc/19/38/34/337193834.db2.gz AAUMJQFHZLNLIC-UHFFFAOYSA-N 1 2 319.396 4.232 20 30 DIEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccccc2Cl)cs1 ZINC000191132436 337294369 /nfs/dbraw/zinc/29/43/69/337294369.db2.gz GZDPGNOGAMODFN-UHFFFAOYSA-N 1 2 322.861 4.098 20 30 DIEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccccc2Cl)cs1 ZINC000191132436 337294370 /nfs/dbraw/zinc/29/43/70/337294370.db2.gz GZDPGNOGAMODFN-UHFFFAOYSA-N 1 2 322.861 4.098 20 30 DIEDLO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000192183353 337303729 /nfs/dbraw/zinc/30/37/29/337303729.db2.gz XPUZDLASQODSLU-MRXNPFEDSA-N 1 2 302.377 4.044 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1cc(C#N)ccc1F ZINC000532934321 337393931 /nfs/dbraw/zinc/39/39/31/337393931.db2.gz NGNJMYVHGQTJSH-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1cc(C#N)ccc1F ZINC000532934321 337393932 /nfs/dbraw/zinc/39/39/32/337393932.db2.gz NGNJMYVHGQTJSH-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=CCC[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000420817943 337511253 /nfs/dbraw/zinc/51/12/53/337511253.db2.gz MIOGWZSTICEEJU-IBGZPJMESA-N 1 2 323.440 4.205 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1coc2ccccc12 ZINC000162261937 337611789 /nfs/dbraw/zinc/61/17/89/337611789.db2.gz UVDFQYHSROAOMR-UHFFFAOYSA-N 1 2 307.353 4.122 20 30 DIEDLO Cc1cc(C)c(CNc2ccc(C(F)(F)F)c(C#N)c2)c[nH+]1 ZINC000397005943 337737108 /nfs/dbraw/zinc/73/71/08/337737108.db2.gz KVUVHIMEVNNCDR-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1F ZINC000428330577 338047609 /nfs/dbraw/zinc/04/76/09/338047609.db2.gz NFCMRXMMWHRJDY-QGZVFWFLSA-N 1 2 304.315 4.216 20 30 DIEDLO N#Cc1cc(NCc2cc(-n3cc[nH+]c3)cs2)ccc1Cl ZINC000432417489 338155757 /nfs/dbraw/zinc/15/57/57/338155757.db2.gz MJDIIMFVXRNYTB-UHFFFAOYSA-N 1 2 314.801 4.071 20 30 DIEDLO C=CCCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436172101 338260444 /nfs/dbraw/zinc/26/04/44/338260444.db2.gz DQBKZKOFCKFPQE-UHFFFAOYSA-N 1 2 309.413 4.181 20 30 DIEDLO C=CCN(CCc1ccccc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436494278 338274187 /nfs/dbraw/zinc/27/41/87/338274187.db2.gz NFGBBJJVUCOISE-UHFFFAOYSA-N 1 2 323.440 4.269 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000437795310 338321965 /nfs/dbraw/zinc/32/19/65/338321965.db2.gz FJMOJCMJJOHJIG-UHFFFAOYSA-N 1 2 316.754 4.484 20 30 DIEDLO CCc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cs1 ZINC000439461033 338370289 /nfs/dbraw/zinc/37/02/89/338370289.db2.gz YROSCGQOYPLYRA-SNVBAGLBSA-N 1 2 305.834 4.081 20 30 DIEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000464565510 339145458 /nfs/dbraw/zinc/14/54/58/339145458.db2.gz BPHFGDAEOUDCGR-CQSZACIVSA-N 1 2 311.429 4.304 20 30 DIEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000464725249 339150054 /nfs/dbraw/zinc/15/00/54/339150054.db2.gz MMCJNDRZCZZQMJ-DJJJIMSYSA-N 1 2 312.363 4.420 20 30 DIEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000464725249 339150055 /nfs/dbraw/zinc/15/00/55/339150055.db2.gz MMCJNDRZCZZQMJ-DJJJIMSYSA-N 1 2 312.363 4.420 20 30 DIEDLO CC(C)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000466635991 339211354 /nfs/dbraw/zinc/21/13/54/339211354.db2.gz ROPMXNZNXNFKAN-UHFFFAOYSA-N 1 2 309.413 4.500 20 30 DIEDLO C=C1CC[NH+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000466725798 339214474 /nfs/dbraw/zinc/21/44/74/339214474.db2.gz ZEXWBRAKYMIRBH-GFCCVEGCSA-N 1 2 303.793 4.103 20 30 DIEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000468114989 339254396 /nfs/dbraw/zinc/25/43/96/339254396.db2.gz JMMDOBCBMSVUQA-NSHDSACASA-N 1 2 316.326 4.095 20 30 DIEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000468114989 339254397 /nfs/dbraw/zinc/25/43/97/339254397.db2.gz JMMDOBCBMSVUQA-NSHDSACASA-N 1 2 316.326 4.095 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cc2cccc(F)c2o1 ZINC000475713969 339460230 /nfs/dbraw/zinc/46/02/30/339460230.db2.gz LFCZJNYBUXTDNX-LLVKDONJSA-N 1 2 312.319 4.433 20 30 DIEDLO C=CC[N@@H+](CC(=O)c1c(C)[nH]c2ccccc21)Cc1cccs1 ZINC000499055892 340028719 /nfs/dbraw/zinc/02/87/19/340028719.db2.gz NWVVLBKTZCVTRA-UHFFFAOYSA-N 1 2 324.449 4.409 20 30 DIEDLO C=CC[N@H+](CC(=O)c1c(C)[nH]c2ccccc21)Cc1cccs1 ZINC000499055892 340028720 /nfs/dbraw/zinc/02/87/20/340028720.db2.gz NWVVLBKTZCVTRA-UHFFFAOYSA-N 1 2 324.449 4.409 20 30 DIEDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000503044514 340119482 /nfs/dbraw/zinc/11/94/82/340119482.db2.gz UNMGMJLMHCZMMQ-KRWDZBQOSA-N 1 2 318.392 4.138 20 30 DIEDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000503044514 340119483 /nfs/dbraw/zinc/11/94/83/340119483.db2.gz UNMGMJLMHCZMMQ-KRWDZBQOSA-N 1 2 318.392 4.138 20 30 DIEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000509008523 340258098 /nfs/dbraw/zinc/25/80/98/340258098.db2.gz ZHXRDBQNOUZSIE-QUCCMNQESA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(F)c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000509008523 340258099 /nfs/dbraw/zinc/25/80/99/340258099.db2.gz ZHXRDBQNOUZSIE-QUCCMNQESA-N 1 2 324.399 4.106 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000509785123 340279111 /nfs/dbraw/zinc/27/91/11/340279111.db2.gz DWGPCDYGXJQHJM-ZDUSSCGKSA-N 1 2 306.837 4.253 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000509785123 340279112 /nfs/dbraw/zinc/27/91/12/340279112.db2.gz DWGPCDYGXJQHJM-ZDUSSCGKSA-N 1 2 306.837 4.253 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000509810024 340279743 /nfs/dbraw/zinc/27/97/43/340279743.db2.gz VZHDNMOBBOJQDN-VIFPVBQESA-N 1 2 324.268 4.316 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000509810024 340279744 /nfs/dbraw/zinc/27/97/44/340279744.db2.gz VZHDNMOBBOJQDN-VIFPVBQESA-N 1 2 324.268 4.316 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000509815740 340280037 /nfs/dbraw/zinc/28/00/37/340280037.db2.gz ZBAZITVAIWBXDK-ZDUSSCGKSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000509815740 340280038 /nfs/dbraw/zinc/28/00/38/340280038.db2.gz ZBAZITVAIWBXDK-ZDUSSCGKSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000510899526 340314325 /nfs/dbraw/zinc/31/43/25/340314325.db2.gz AMPVOKBJFLEWLV-SNVBAGLBSA-N 1 2 301.192 4.382 20 30 DIEDLO N#CC1(C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000511186220 340323611 /nfs/dbraw/zinc/32/36/11/340323611.db2.gz PDPGWRZWXVETMF-UHFFFAOYSA-N 1 2 307.224 4.386 20 30 DIEDLO N#CC1(C[N@@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000511186220 340323612 /nfs/dbraw/zinc/32/36/12/340323612.db2.gz PDPGWRZWXVETMF-UHFFFAOYSA-N 1 2 307.224 4.386 20 30 DIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1F ZINC000512074534 340347780 /nfs/dbraw/zinc/34/77/80/340347780.db2.gz UDVJJBKJWKFJLK-UHFFFAOYSA-N 1 2 316.326 4.164 20 30 DIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1F ZINC000512074534 340347781 /nfs/dbraw/zinc/34/77/81/340347781.db2.gz UDVJJBKJWKFJLK-UHFFFAOYSA-N 1 2 316.326 4.164 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(Cl)c1F ZINC000512182584 340351247 /nfs/dbraw/zinc/35/12/47/340351247.db2.gz DWIROQPPXYJVMA-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(Cl)c1F ZINC000512182584 340351248 /nfs/dbraw/zinc/35/12/48/340351248.db2.gz DWIROQPPXYJVMA-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO CCN(CC)c1ccc(N[C@@H](C)c2ccc(C#N)cc2F)c[nH+]1 ZINC000512287413 340355515 /nfs/dbraw/zinc/35/55/15/340355515.db2.gz HVMCDUAUCCAZQE-ZDUSSCGKSA-N 1 2 312.392 4.112 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Cl)ccc1F ZINC000512408648 340360885 /nfs/dbraw/zinc/36/08/85/340360885.db2.gz JETRHSFTYBDITA-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Cl)ccc1F ZINC000512408648 340360886 /nfs/dbraw/zinc/36/08/86/340360886.db2.gz JETRHSFTYBDITA-UHFFFAOYSA-N 1 2 323.795 4.143 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1cc(F)ccc1F ZINC000512433170 340361666 /nfs/dbraw/zinc/36/16/66/340361666.db2.gz KCSMHKPUXMFIBF-ZDUSSCGKSA-N 1 2 321.367 4.189 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1cc(F)ccc1F ZINC000512433170 340361667 /nfs/dbraw/zinc/36/16/67/340361667.db2.gz KCSMHKPUXMFIBF-ZDUSSCGKSA-N 1 2 321.367 4.189 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)cc(F)c1 ZINC000512506283 340364513 /nfs/dbraw/zinc/36/45/13/340364513.db2.gz JLFZQLZMVJLEGB-UHFFFAOYSA-N 1 2 319.399 4.321 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)cc(F)c1 ZINC000512506283 340364514 /nfs/dbraw/zinc/36/45/14/340364514.db2.gz JLFZQLZMVJLEGB-UHFFFAOYSA-N 1 2 319.399 4.321 20 30 DIEDLO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512654779 340371308 /nfs/dbraw/zinc/37/13/08/340371308.db2.gz ORYYZFJEEKSWKE-NEPJUHHUSA-N 1 2 316.351 4.257 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000512768927 340376761 /nfs/dbraw/zinc/37/67/61/340376761.db2.gz LLMUAXXBCPCBSC-INIZCTEOSA-N 1 2 320.436 4.486 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000512768927 340376762 /nfs/dbraw/zinc/37/67/62/340376762.db2.gz LLMUAXXBCPCBSC-INIZCTEOSA-N 1 2 320.436 4.486 20 30 DIEDLO N#Cc1ccc(C[NH2+]CC(F)(F)c2ccc(Cl)cc2)cc1 ZINC000513002444 340387880 /nfs/dbraw/zinc/38/78/80/340387880.db2.gz ZATUFLXXWJVOKG-UHFFFAOYSA-N 1 2 306.743 4.093 20 30 DIEDLO C=CCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000177536303 340441496 /nfs/dbraw/zinc/44/14/96/340441496.db2.gz GABPQRDIUDWAFR-UHFFFAOYSA-N 1 2 309.413 4.181 20 30 DIEDLO CCC(C#N)(CC)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000529202074 340748320 /nfs/dbraw/zinc/74/83/20/340748320.db2.gz USGZQPULESALLR-UHFFFAOYSA-N 1 2 323.396 4.451 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000540810853 340946745 /nfs/dbraw/zinc/94/67/45/340946745.db2.gz DGEBFDXMWQWMGI-QGZVFWFLSA-N 1 2 312.369 4.231 20 30 DIEDLO COc1c(Cl)cc(Cl)cc1CNc1cc(CC#N)cc[nH+]1 ZINC000547340008 341207265 /nfs/dbraw/zinc/20/72/65/341207265.db2.gz LJDIUMWKZHYIEC-UHFFFAOYSA-N 1 2 322.195 4.075 20 30 DIEDLO Cc1cc(F)ccc1-c1ccc(CNc2cc(CC#N)cc[nH+]2)o1 ZINC000547340127 341207361 /nfs/dbraw/zinc/20/73/61/341207361.db2.gz YVQAFYKDORKDHK-UHFFFAOYSA-N 1 2 321.355 4.467 20 30 DIEDLO C=CC[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)c1ccccc1 ZINC000547962068 341240947 /nfs/dbraw/zinc/24/09/47/341240947.db2.gz CLHBMQLFRMIYMH-QGZVFWFLSA-N 1 2 319.408 4.180 20 30 DIEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCC(C)(C)C#N ZINC000548731590 341271061 /nfs/dbraw/zinc/27/10/61/341271061.db2.gz INAXJHBXPXSTLS-CZUORRHYSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCC(C)(C)C#N ZINC000548731590 341271062 /nfs/dbraw/zinc/27/10/62/341271062.db2.gz INAXJHBXPXSTLS-CZUORRHYSA-N 1 2 306.837 4.042 20 30 DIEDLO CC#CC[N@H+](C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000550491567 341317636 /nfs/dbraw/zinc/31/76/36/341317636.db2.gz OVRZGVDFDSMXBD-UHFFFAOYSA-N 1 2 324.371 4.284 20 30 DIEDLO CC#CC[N@@H+](C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000550491567 341317637 /nfs/dbraw/zinc/31/76/37/341317637.db2.gz OVRZGVDFDSMXBD-UHFFFAOYSA-N 1 2 324.371 4.284 20 30 DIEDLO C=CC[NH+](CC=C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000551804748 341352213 /nfs/dbraw/zinc/35/22/13/341352213.db2.gz JSZNQPBMAXAJFC-IBGZPJMESA-N 1 2 324.399 4.180 20 30 DIEDLO C[N@H+](Cc1ccc(Br)cc1Cl)CC(C)(C)C#N ZINC000552317013 341386001 /nfs/dbraw/zinc/38/60/01/341386001.db2.gz YLTGKJBEOVPOOO-UHFFFAOYSA-N 1 2 315.642 4.084 20 30 DIEDLO C[N@@H+](Cc1ccc(Br)cc1Cl)CC(C)(C)C#N ZINC000552317013 341386002 /nfs/dbraw/zinc/38/60/02/341386002.db2.gz YLTGKJBEOVPOOO-UHFFFAOYSA-N 1 2 315.642 4.084 20 30 DIEDLO CC(C)c1cc(N2CCC(CCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000573319871 341724797 /nfs/dbraw/zinc/72/47/97/341724797.db2.gz AGEZKUYMSZUBMN-UHFFFAOYSA-N 1 2 300.450 4.244 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc(-c2cccs2)o1 ZINC000338361092 525529691 /nfs/dbraw/zinc/52/96/91/525529691.db2.gz LRRKJORECNNJPC-RYUDHWBXSA-N 1 2 324.409 4.082 20 30 DIEDLO N#Cc1cscc1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000339549964 526784917 /nfs/dbraw/zinc/78/49/17/526784917.db2.gz YXISRMSRGGRDDJ-UHFFFAOYSA-N 1 2 321.361 4.059 20 30 DIEDLO CC(C)(C#N)CCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000579694111 1035513959 /nfs/dbraw/zinc/51/39/59/1035513959.db2.gz YKLGHRIVCOABKV-UHFFFAOYSA-N 1 2 309.413 4.205 20 30 DIEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccc(Cl)nc2)cc1 ZINC000748078833 1035798797 /nfs/dbraw/zinc/79/87/97/1035798797.db2.gz GVHISVOXFNAQGO-UHFFFAOYSA-N 1 2 302.809 4.027 20 30 DIEDLO CC[C@H]1CO[C@@](C)(CCC(C)C)N1c1ccc(CC#N)c(C)[nH+]1 ZINC001167132970 1036165039 /nfs/dbraw/zinc/16/50/39/1036165039.db2.gz QRQZXLJTQGGIJJ-HKUYNNGSSA-N 1 2 315.461 4.224 20 30 DIEDLO C[C@H](CCC#N)CNc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000602491736 1038020267 /nfs/dbraw/zinc/02/02/67/1038020267.db2.gz LZEFPFXMKWVAOX-OAHLLOKOSA-N 1 2 308.429 4.238 20 30 DIEDLO N#CC1CCC(Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000602630843 1038057426 /nfs/dbraw/zinc/05/74/26/1038057426.db2.gz CHSYGVQCRXPUMX-UHFFFAOYSA-N 1 2 320.440 4.381 20 30 DIEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000098071988 1038202971 /nfs/dbraw/zinc/20/29/71/1038202971.db2.gz NMJZVWZHANELTB-UHFFFAOYSA-N 1 2 322.408 4.091 20 30 DIEDLO C=CC(C)(C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125548242 1038211669 /nfs/dbraw/zinc/21/16/69/1038211669.db2.gz SJAVYFMZNBUSEU-UHFFFAOYSA-N 1 2 303.793 4.067 20 30 DIEDLO N#Cc1c(Cl)cccc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001216126633 1038237474 /nfs/dbraw/zinc/23/74/74/1038237474.db2.gz BMNVYLBRKPUKED-UHFFFAOYSA-N 1 2 303.152 4.256 20 30 DIEDLO N#Cc1ccccc1C[NH+](Cc1ccccc1C#N)C1CCCC1 ZINC000603597416 1038254395 /nfs/dbraw/zinc/25/43/95/1038254395.db2.gz MXILXQUTTBHWKZ-UHFFFAOYSA-N 1 2 315.420 4.375 20 30 DIEDLO Cc1cccc(C[N@H+](Cc2ccco2)Cc2ccnc(C#N)c2)c1 ZINC000610993202 1038426264 /nfs/dbraw/zinc/42/62/64/1038426264.db2.gz HCPIXVXTSKKQGI-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Cc1cccc(C[N@@H+](Cc2ccco2)Cc2ccnc(C#N)c2)c1 ZINC000610993202 1038426269 /nfs/dbraw/zinc/42/62/69/1038426269.db2.gz HCPIXVXTSKKQGI-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Cc1cccnc1[C@H]([NH2+]Cc1cccc(F)c1C#N)C(C)(C)C ZINC000934287606 1038577712 /nfs/dbraw/zinc/57/77/12/1038577712.db2.gz FLVMJILJMPHOIR-SFHVURJKSA-N 1 2 311.404 4.278 20 30 DIEDLO C[C@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(C#N)cc1F ZINC000611589255 1038639188 /nfs/dbraw/zinc/63/91/88/1038639188.db2.gz VTAJIYADVCYLQV-MGPLVRAMSA-N 1 2 316.763 4.135 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2nc(C3CC3)cs2)C2CC2)cc1 ZINC000342692422 1038724036 /nfs/dbraw/zinc/72/40/36/1038724036.db2.gz DBPJZGBICZSKDL-UHFFFAOYSA-N 1 2 309.438 4.057 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2nc(C3CC3)cs2)C2CC2)cc1 ZINC000342692422 1038724042 /nfs/dbraw/zinc/72/40/42/1038724042.db2.gz DBPJZGBICZSKDL-UHFFFAOYSA-N 1 2 309.438 4.057 20 30 DIEDLO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063774992 1038846955 /nfs/dbraw/zinc/84/69/55/1038846955.db2.gz HVGRCOKGBNRDRB-QGZVFWFLSA-N 1 2 315.420 4.372 20 30 DIEDLO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063774992 1038846978 /nfs/dbraw/zinc/84/69/78/1038846978.db2.gz HVGRCOKGBNRDRB-QGZVFWFLSA-N 1 2 315.420 4.372 20 30 DIEDLO CC[N@H+](Cc1c(F)cccc1F)[C@H](C)c1cccc(C#N)c1 ZINC000442689787 1039123632 /nfs/dbraw/zinc/12/36/32/1039123632.db2.gz ULXBHYYOMHPRDW-CYBMUJFWSA-N 1 2 300.352 4.420 20 30 DIEDLO CC[N@@H+](Cc1c(F)cccc1F)[C@H](C)c1cccc(C#N)c1 ZINC000442689787 1039123636 /nfs/dbraw/zinc/12/36/36/1039123636.db2.gz ULXBHYYOMHPRDW-CYBMUJFWSA-N 1 2 300.352 4.420 20 30 DIEDLO C=CCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1Cl ZINC000539821144 1039347816 /nfs/dbraw/zinc/34/78/16/1039347816.db2.gz YPOVOHAAZFHKFH-CYBMUJFWSA-N 1 2 304.821 4.029 20 30 DIEDLO C=CCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1Cl ZINC000539821144 1039347827 /nfs/dbraw/zinc/34/78/27/1039347827.db2.gz YPOVOHAAZFHKFH-CYBMUJFWSA-N 1 2 304.821 4.029 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000539822519 1039347864 /nfs/dbraw/zinc/34/78/64/1039347864.db2.gz MJTSWIFXTYTQSP-MOPGFXCFSA-N 1 2 312.363 4.237 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000539822519 1039347881 /nfs/dbraw/zinc/34/78/81/1039347881.db2.gz MJTSWIFXTYTQSP-MOPGFXCFSA-N 1 2 312.363 4.237 20 30 DIEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1SC(F)(F)F ZINC000161986617 1039561850 /nfs/dbraw/zinc/56/18/50/1039561850.db2.gz CXJWUZFSUYPMFK-SNVBAGLBSA-N 1 2 318.364 4.041 20 30 DIEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1SC(F)(F)F ZINC000161986617 1039561867 /nfs/dbraw/zinc/56/18/67/1039561867.db2.gz CXJWUZFSUYPMFK-SNVBAGLBSA-N 1 2 318.364 4.041 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccc(F)cc1 ZINC000491665920 1039868140 /nfs/dbraw/zinc/86/81/40/1039868140.db2.gz VVFLWLNKJFCGPR-INIZCTEOSA-N 1 2 300.402 4.014 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000093872491 1039905882 /nfs/dbraw/zinc/90/58/82/1039905882.db2.gz PTGHYZYVTDSGKC-ZWKOTPCHSA-N 1 2 323.465 4.292 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000093872491 1039905895 /nfs/dbraw/zinc/90/58/95/1039905895.db2.gz PTGHYZYVTDSGKC-ZWKOTPCHSA-N 1 2 323.465 4.292 20 30 DIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000612406455 1040583665 /nfs/dbraw/zinc/58/36/65/1040583665.db2.gz MSSNWOOWJANLLJ-IBGZPJMESA-N 1 2 309.388 4.013 20 30 DIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000612406455 1040583669 /nfs/dbraw/zinc/58/36/69/1040583669.db2.gz MSSNWOOWJANLLJ-IBGZPJMESA-N 1 2 309.388 4.013 20 30 DIEDLO COc1ccccc1[C@H](C)[N@H+](C)Cc1cccc(C#N)c1Cl ZINC001140813132 1041056899 /nfs/dbraw/zinc/05/68/99/1041056899.db2.gz WQPOVVLVZAQFPS-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1Cl ZINC001140813132 1041056911 /nfs/dbraw/zinc/05/69/11/1041056911.db2.gz WQPOVVLVZAQFPS-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO C[C@@H]1c2ccccc2C(=O)/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000809156935 1041100677 /nfs/dbraw/zinc/10/06/77/1041100677.db2.gz PJKSPHQNNGCQLD-UDPFGDFPSA-N 1 2 306.390 4.317 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC)cc1C(F)(F)F ZINC001143479450 1041248245 /nfs/dbraw/zinc/24/82/45/1041248245.db2.gz JYGOWJNVBQDHRY-UHFFFAOYSA-N 1 2 314.351 4.230 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC)cc1C(F)(F)F ZINC001143479450 1041248255 /nfs/dbraw/zinc/24/82/55/1041248255.db2.gz JYGOWJNVBQDHRY-UHFFFAOYSA-N 1 2 314.351 4.230 20 30 DIEDLO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)cc(OC(F)F)[nH+]1 ZINC001167708788 1041301920 /nfs/dbraw/zinc/30/19/20/1041301920.db2.gz FTLDMOPUHAFHHI-NSHDSACASA-N 1 2 303.312 4.036 20 30 DIEDLO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)[nH+]cc1C(F)(F)F ZINC001167709306 1041305092 /nfs/dbraw/zinc/30/50/92/1041305092.db2.gz WWEBMIAMJOUXRE-NSHDSACASA-N 1 2 305.303 4.454 20 30 DIEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc2cc(Cl)ccc2o1 ZINC000810145993 1041320791 /nfs/dbraw/zinc/32/07/91/1041320791.db2.gz JXNHLUOTXBEUGC-VIFPVBQESA-N 1 2 317.801 4.265 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000189963260 1041342970 /nfs/dbraw/zinc/34/29/70/1041342970.db2.gz VORVEISHNCAYBI-OAHLLOKOSA-N 1 2 316.408 4.141 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000189963260 1041342978 /nfs/dbraw/zinc/34/29/78/1041342978.db2.gz VORVEISHNCAYBI-OAHLLOKOSA-N 1 2 316.408 4.141 20 30 DIEDLO CCOCc1ccccc1C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000924603369 1041397176 /nfs/dbraw/zinc/39/71/76/1041397176.db2.gz SCSHNKUQXIPAOQ-LJQANCHMSA-N 1 2 324.424 4.041 20 30 DIEDLO CCCCCCCCC[C@@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000811933780 1041582386 /nfs/dbraw/zinc/58/23/86/1041582386.db2.gz IGZMYHGHERHSKX-QGZVFWFLSA-N 1 2 319.493 4.392 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000812793416 1041651007 /nfs/dbraw/zinc/65/10/07/1041651007.db2.gz SYKVLJJMHVWGMO-INIZCTEOSA-N 1 2 323.289 4.014 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1c(Cl)ccc2cccnc21)c1ccc(F)cc1 ZINC000812793787 1041651125 /nfs/dbraw/zinc/65/11/25/1041651125.db2.gz DVFQSEQFFGSZSL-GOSISDBHSA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(F)cc1 ZINC000812794907 1041652318 /nfs/dbraw/zinc/65/23/18/1041652318.db2.gz HRGNQDIAVVGIJL-CYBMUJFWSA-N 1 2 324.218 4.114 20 30 DIEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccs1 ZINC000558179368 1041767918 /nfs/dbraw/zinc/76/79/18/1041767918.db2.gz IZRXYGDFBXONJF-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccs1 ZINC000558179368 1041767924 /nfs/dbraw/zinc/76/79/24/1041767924.db2.gz IZRXYGDFBXONJF-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc2ccccc2nc1Cl ZINC000026326212 1041836527 /nfs/dbraw/zinc/83/65/27/1041836527.db2.gz CJRQKCUMNBGXDL-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2ccccc2nc1Cl ZINC000026326212 1041836536 /nfs/dbraw/zinc/83/65/36/1041836536.db2.gz CJRQKCUMNBGXDL-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO CC(=[NH+]Nc1ccccc1C(F)(F)F)c1cc(N)ccc1F ZINC000814688782 1041854301 /nfs/dbraw/zinc/85/43/01/1041854301.db2.gz MJCKLDFOLCIZJP-UHFFFAOYSA-N 1 2 311.282 4.263 20 30 DIEDLO Cc1ccc([N+](=O)[O-])cc1N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814824404 1041871625 /nfs/dbraw/zinc/87/16/25/1041871625.db2.gz UVIAXAFXDWRWON-GFCCVEGCSA-N 1 2 322.368 4.022 20 30 DIEDLO C=CCN(CC1CCCCC1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001126063646 1041916883 /nfs/dbraw/zinc/91/68/83/1041916883.db2.gz VKWFXBABYVUXND-UHFFFAOYSA-N 1 2 300.446 4.215 20 30 DIEDLO CCCCCCCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000105411221 1042169497 /nfs/dbraw/zinc/16/94/97/1042169497.db2.gz YXVWAAYSXQVTRY-UHFFFAOYSA-N 1 2 313.445 4.239 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1occc1Br ZINC000822525180 1042288976 /nfs/dbraw/zinc/28/89/76/1042288976.db2.gz BDVQUZDMCNXWMB-NSHDSACASA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1occc1Br ZINC000822525180 1042288982 /nfs/dbraw/zinc/28/89/82/1042288982.db2.gz BDVQUZDMCNXWMB-NSHDSACASA-N 1 2 319.202 4.107 20 30 DIEDLO C=CCCCC[C@H](C)[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC000823501690 1042330376 /nfs/dbraw/zinc/33/03/76/1042330376.db2.gz QXGSGNBBXMAFCE-INIZCTEOSA-N 1 2 302.462 4.195 20 30 DIEDLO C=CCCCC[C@H](C)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000823501690 1042330384 /nfs/dbraw/zinc/33/03/84/1042330384.db2.gz QXGSGNBBXMAFCE-INIZCTEOSA-N 1 2 302.462 4.195 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000614401931 1042491783 /nfs/dbraw/zinc/49/17/83/1042491783.db2.gz RBSHLPHKGRZHPJ-UHFFFAOYSA-N 1 2 319.383 4.045 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000614401931 1042491787 /nfs/dbraw/zinc/49/17/87/1042491787.db2.gz RBSHLPHKGRZHPJ-UHFFFAOYSA-N 1 2 319.383 4.045 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000513718549 1042596848 /nfs/dbraw/zinc/59/68/48/1042596848.db2.gz ZMLQMQVNYSEGGI-UHFFFAOYSA-N 1 2 314.351 4.189 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000513718549 1042596849 /nfs/dbraw/zinc/59/68/49/1042596849.db2.gz ZMLQMQVNYSEGGI-UHFFFAOYSA-N 1 2 314.351 4.189 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1OCc1ccccc1)CC1CC1 ZINC000513725127 1042611062 /nfs/dbraw/zinc/61/10/62/1042611062.db2.gz MMKVETQFQGGAST-UHFFFAOYSA-N 1 2 320.436 4.391 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1OCc1ccccc1)CC1CC1 ZINC000513725127 1042611066 /nfs/dbraw/zinc/61/10/66/1042611066.db2.gz MMKVETQFQGGAST-UHFFFAOYSA-N 1 2 320.436 4.391 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000513789411 1042686669 /nfs/dbraw/zinc/68/66/69/1042686669.db2.gz HWXUNQTVNHKELU-INIZCTEOSA-N 1 2 319.408 4.486 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000513789411 1042686671 /nfs/dbraw/zinc/68/66/71/1042686671.db2.gz HWXUNQTVNHKELU-INIZCTEOSA-N 1 2 319.408 4.486 20 30 DIEDLO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ncccc1Cl ZINC000924980298 1042770273 /nfs/dbraw/zinc/77/02/73/1042770273.db2.gz PWYNJHVJLOPITP-INIZCTEOSA-N 1 2 317.795 4.377 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1OC ZINC001143563318 1042863617 /nfs/dbraw/zinc/86/36/17/1042863617.db2.gz VGENHGFYSIICLJ-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1OC ZINC001143563318 1042863619 /nfs/dbraw/zinc/86/36/19/1042863619.db2.gz VGENHGFYSIICLJ-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO CC(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1F ZINC000519619149 1042996806 /nfs/dbraw/zinc/99/68/06/1042996806.db2.gz XLXMHUQEELTFRD-OAHLLOKOSA-N 1 2 323.824 4.294 20 30 DIEDLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000519838238 1043005256 /nfs/dbraw/zinc/00/52/56/1043005256.db2.gz QDCYGDKMAAJGOZ-AWEZNQCLSA-N 1 2 303.365 4.064 20 30 DIEDLO C=CCC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339073438 1043098771 /nfs/dbraw/zinc/09/87/71/1043098771.db2.gz YLNPPVIMYKTKMY-KRWDZBQOSA-N 1 2 312.369 4.098 20 30 DIEDLO C=CCC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339073440 1043099348 /nfs/dbraw/zinc/09/93/48/1043099348.db2.gz YLNPPVIMYKTKMY-QGZVFWFLSA-N 1 2 312.369 4.098 20 30 DIEDLO COc1ccc([C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C2CC2)cc1 ZINC000866221088 1043162074 /nfs/dbraw/zinc/16/20/74/1043162074.db2.gz NGHZWYMLNAGOEE-ORAYPTAESA-N 1 2 322.408 4.074 20 30 DIEDLO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866235061 1043163373 /nfs/dbraw/zinc/16/33/73/1043163373.db2.gz VFKSRBQZAHQTKT-CABCVRRESA-N 1 2 324.424 4.463 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1O ZINC000866392929 1043197236 /nfs/dbraw/zinc/19/72/36/1043197236.db2.gz IDZOOSARMHRKOC-UONOGXRCSA-N 1 2 322.408 4.001 20 30 DIEDLO CC(=[NH+]Nc1ccccc1OC(F)(F)F)c1ccc(N)cc1 ZINC000777452278 1043255218 /nfs/dbraw/zinc/25/52/18/1043255218.db2.gz DMUMVWLNVLRKAU-UHFFFAOYSA-N 1 2 309.291 4.004 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc(C2CCCCC2)no1 ZINC000348542860 1043459552 /nfs/dbraw/zinc/45/95/52/1043459552.db2.gz DXPZYMIRUABDQE-AWEZNQCLSA-N 1 2 324.428 4.034 20 30 DIEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CC1 ZINC000521743121 1043466562 /nfs/dbraw/zinc/46/65/62/1043466562.db2.gz CLOYNSOPBHSQFK-HOTGVXAUSA-N 1 2 300.446 4.179 20 30 DIEDLO CCC[C@H](C=[NH+]n1c(SC)nnc1SC)c1ccccc1 ZINC000872417911 1043497409 /nfs/dbraw/zinc/49/74/09/1043497409.db2.gz SZEYQPODJLMMHU-CYBMUJFWSA-N 1 2 320.487 4.140 20 30 DIEDLO CCC[C@@H](C=[NH+]n1c(SC)nnc1SC)c1ccccc1 ZINC000872417912 1043497495 /nfs/dbraw/zinc/49/74/95/1043497495.db2.gz SZEYQPODJLMMHU-ZDUSSCGKSA-N 1 2 320.487 4.140 20 30 DIEDLO N#Cc1c(F)cccc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000873076449 1043516591 /nfs/dbraw/zinc/51/65/91/1043516591.db2.gz MIYPLQWHJHOBNC-SFHVURJKSA-N 1 2 322.383 4.233 20 30 DIEDLO C[C@H](CC(C)(C)C#N)[NH2+]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000926073383 1043519616 /nfs/dbraw/zinc/51/96/16/1043519616.db2.gz LHTPEQBKJNTLEY-PMPSAXMXSA-N 1 2 315.461 4.040 20 30 DIEDLO Cc1cc([NH2+][C@@H](C)CC(C)(C)C#N)ccc1N1CCSCC1 ZINC000926074739 1043519956 /nfs/dbraw/zinc/51/99/56/1043519956.db2.gz OENCHTBXZGFCPV-HNNXBMFYSA-N 1 2 317.502 4.289 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1cc(OC)ccn1)c1ccc(F)c(F)c1 ZINC000926206524 1043546664 /nfs/dbraw/zinc/54/66/64/1043546664.db2.gz NJRDRZCCPNSRRN-SGTLLEGYSA-N 1 2 318.367 4.336 20 30 DIEDLO C=C(Br)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000125145781 1043598570 /nfs/dbraw/zinc/59/85/70/1043598570.db2.gz ZDOUAGKSNVXTGL-LLVKDONJSA-N 1 2 323.259 4.369 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3cc4ccccc4o3)c[nH+]c12 ZINC000125228194 1043607538 /nfs/dbraw/zinc/60/75/38/1043607538.db2.gz OPHLVYWSBRYMHN-CMDGGOBGSA-N 1 2 302.333 4.285 20 30 DIEDLO CC(C)c1ccc([C@H]([NH2+]CC(C)(C)C#N)c2cccnc2)cc1 ZINC000926874346 1043646363 /nfs/dbraw/zinc/64/63/63/1043646363.db2.gz PIDSGLBZEGXOLS-IBGZPJMESA-N 1 2 307.441 4.434 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000876579838 1043697119 /nfs/dbraw/zinc/69/71/19/1043697119.db2.gz NDGVEYGZJDNONE-AWEZNQCLSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000876579838 1043697124 /nfs/dbraw/zinc/69/71/24/1043697124.db2.gz NDGVEYGZJDNONE-AWEZNQCLSA-N 1 2 303.818 4.005 20 30 DIEDLO C=CCC[C@H]([NH2+]c1ccc(N2CCOC[C@@H]2C)cc1)C1CC1 ZINC000777691808 1043755348 /nfs/dbraw/zinc/75/53/48/1043755348.db2.gz FTOKFJAYQGZGDE-KXBFYZLASA-N 1 2 300.446 4.068 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000777722905 1043782491 /nfs/dbraw/zinc/78/24/91/1043782491.db2.gz XOCCXOATRIOLSX-OAHLLOKOSA-N 1 2 305.208 4.243 20 30 DIEDLO CC[N@H+](Cc1nc(C#N)cs1)[C@H](C)c1cc2ccccc2o1 ZINC000356048308 1043803383 /nfs/dbraw/zinc/80/33/83/1043803383.db2.gz CBTQBFBXNZMWBS-GFCCVEGCSA-N 1 2 311.410 4.344 20 30 DIEDLO CC[N@@H+](Cc1nc(C#N)cs1)[C@H](C)c1cc2ccccc2o1 ZINC000356048308 1043803399 /nfs/dbraw/zinc/80/33/99/1043803399.db2.gz CBTQBFBXNZMWBS-GFCCVEGCSA-N 1 2 311.410 4.344 20 30 DIEDLO CC[N@H+](Cc1scnc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000877992555 1043836318 /nfs/dbraw/zinc/83/63/18/1043836318.db2.gz ZSSOKDOZEOGILV-NSHDSACASA-N 1 2 305.834 4.251 20 30 DIEDLO CC[N@@H+](Cc1scnc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000877992555 1043836334 /nfs/dbraw/zinc/83/63/34/1043836334.db2.gz ZSSOKDOZEOGILV-NSHDSACASA-N 1 2 305.834 4.251 20 30 DIEDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358557633 1044080820 /nfs/dbraw/zinc/08/08/20/1044080820.db2.gz CEKDVYNAMKNPGH-WDEREUQCSA-N 1 2 303.406 4.128 20 30 DIEDLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358557616 1044081168 /nfs/dbraw/zinc/08/11/68/1044081168.db2.gz CEKDVYNAMKNPGH-GHMZBOCLSA-N 1 2 303.406 4.128 20 30 DIEDLO C=CC[C@H](C)Sc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000882029477 1044145382 /nfs/dbraw/zinc/14/53/82/1044145382.db2.gz FIZPUVSRAWZDKX-UONOGXRCSA-N 1 2 310.511 4.148 20 30 DIEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000778160328 1044190265 /nfs/dbraw/zinc/19/02/65/1044190265.db2.gz DZRLQDKOYHRQPH-UHFFFAOYSA-N 1 2 308.385 4.158 20 30 DIEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000778160328 1044190277 /nfs/dbraw/zinc/19/02/77/1044190277.db2.gz DZRLQDKOYHRQPH-UHFFFAOYSA-N 1 2 308.385 4.158 20 30 DIEDLO C=C[C@H](CC)CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000935101691 1044312235 /nfs/dbraw/zinc/31/22/35/1044312235.db2.gz GOSLYFLBISNAPC-OAHLLOKOSA-N 1 2 321.424 4.143 20 30 DIEDLO Cc1ccc2c(Nc3nc4ncccc4cc3C#N)cccc2[nH+]1 ZINC001212794901 1044313060 /nfs/dbraw/zinc/31/30/60/1044313060.db2.gz CDTXQLALTBXSIU-UHFFFAOYSA-N 1 2 311.348 4.102 20 30 DIEDLO Cc1ccc2c(Nc3onc(C(C)(C)C)c3C#N)cccc2[nH+]1 ZINC001212795907 1044323393 /nfs/dbraw/zinc/32/33/93/1044323393.db2.gz ILYLZFGETQMVRG-UHFFFAOYSA-N 1 2 306.369 4.444 20 30 DIEDLO CCCCCCC[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001142007210 1044352660 /nfs/dbraw/zinc/35/26/60/1044352660.db2.gz WUWSDHQIVHTXIN-CQSZACIVSA-N 1 2 301.434 4.289 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(F)c(Cl)c1 ZINC000133180010 1044361253 /nfs/dbraw/zinc/36/12/53/1044361253.db2.gz NFOVMPUUUCRCHN-FNORWQNLSA-N 1 2 300.720 4.023 20 30 DIEDLO CSc1ccccc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000348311003 1044483031 /nfs/dbraw/zinc/48/30/31/1044483031.db2.gz YJJKVJNXTMNAQP-UHFFFAOYSA-N 1 2 300.402 4.051 20 30 DIEDLO CSc1ccccc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000348311003 1044483041 /nfs/dbraw/zinc/48/30/41/1044483041.db2.gz YJJKVJNXTMNAQP-UHFFFAOYSA-N 1 2 300.402 4.051 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc2cccc(Cl)c2n1 ZINC001137224390 1044604818 /nfs/dbraw/zinc/60/48/18/1044604818.db2.gz GXSJZPOVKANXBD-UHFFFAOYSA-N 1 2 301.821 4.404 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc2cccc(Cl)c2n1 ZINC001137224390 1044604827 /nfs/dbraw/zinc/60/48/27/1044604827.db2.gz GXSJZPOVKANXBD-UHFFFAOYSA-N 1 2 301.821 4.404 20 30 DIEDLO Cc1ccc([N@H+](CCCC2(C#N)CCOCC2)CC2CC2)cc1 ZINC000886425174 1044641555 /nfs/dbraw/zinc/64/15/55/1044641555.db2.gz VLMMPHARFWLUTN-UHFFFAOYSA-N 1 2 312.457 4.312 20 30 DIEDLO Cc1ccc([N@@H+](CCCC2(C#N)CCOCC2)CC2CC2)cc1 ZINC000886425174 1044641562 /nfs/dbraw/zinc/64/15/62/1044641562.db2.gz VLMMPHARFWLUTN-UHFFFAOYSA-N 1 2 312.457 4.312 20 30 DIEDLO C#Cc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000367373597 1044738434 /nfs/dbraw/zinc/73/84/34/1044738434.db2.gz XJZFJVOVSFCLCE-SFHVURJKSA-N 1 2 304.418 4.004 20 30 DIEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000369752780 1044813933 /nfs/dbraw/zinc/81/39/33/1044813933.db2.gz CGVUMUKDADZXJZ-AWEZNQCLSA-N 1 2 319.811 4.044 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000575136192 1044988931 /nfs/dbraw/zinc/98/89/31/1044988931.db2.gz WSFLTBJIWXFLGX-CQSZACIVSA-N 1 2 311.429 4.079 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000575136192 1044988944 /nfs/dbraw/zinc/98/89/44/1044988944.db2.gz WSFLTBJIWXFLGX-CQSZACIVSA-N 1 2 311.429 4.079 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447398829 1045128658 /nfs/dbraw/zinc/12/86/58/1045128658.db2.gz TYMNKCIUNUIXHK-UHFFFAOYSA-N 1 2 315.848 4.440 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447398829 1045128661 /nfs/dbraw/zinc/12/86/61/1045128661.db2.gz TYMNKCIUNUIXHK-UHFFFAOYSA-N 1 2 315.848 4.440 20 30 DIEDLO C[C@@H](C[N@H+](CCC#N)Cc1ccco1)c1cccc(Cl)c1 ZINC000527106573 1045196487 /nfs/dbraw/zinc/19/64/87/1045196487.db2.gz BBKRDXTUKRNZLT-AWEZNQCLSA-N 1 2 302.805 4.452 20 30 DIEDLO C[C@@H](C[N@@H+](CCC#N)Cc1ccco1)c1cccc(Cl)c1 ZINC000527106573 1045196491 /nfs/dbraw/zinc/19/64/91/1045196491.db2.gz BBKRDXTUKRNZLT-AWEZNQCLSA-N 1 2 302.805 4.452 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000578714382 1045267379 /nfs/dbraw/zinc/26/73/79/1045267379.db2.gz JAQPHXKOZPIINP-UHFFFAOYSA-N 1 2 320.314 4.359 20 30 DIEDLO C=CC(C)(C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000448715760 1045289316 /nfs/dbraw/zinc/28/93/16/1045289316.db2.gz SMZBNEIKBCSADD-UHFFFAOYSA-N 1 2 309.413 4.037 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)Cc1cc(Cl)cc(F)c1O ZINC000779171262 1045349724 /nfs/dbraw/zinc/34/97/24/1045349724.db2.gz ZCOSNHVDRZHIBK-UHFFFAOYSA-N 1 2 309.768 4.008 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)Cc1cc(Cl)cc(F)c1O ZINC000779171262 1045349727 /nfs/dbraw/zinc/34/97/27/1045349727.db2.gz ZCOSNHVDRZHIBK-UHFFFAOYSA-N 1 2 309.768 4.008 20 30 DIEDLO CCCCCCCCC/C=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779213489 1045371944 /nfs/dbraw/zinc/37/19/44/1045371944.db2.gz KFLKUFKOHPZPPI-SXSDINLZSA-N 1 2 317.477 4.011 20 30 DIEDLO CCCCCCCCC/C=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779213486 1045372262 /nfs/dbraw/zinc/37/22/62/1045372262.db2.gz KFLKUFKOHPZPPI-DVQDXYAYSA-N 1 2 317.477 4.011 20 30 DIEDLO Cc1cc(Cl)ccc1C1=CC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000528740444 1045406911 /nfs/dbraw/zinc/40/69/11/1045406911.db2.gz GEPUYFBSMUNZQH-OAHLLOKOSA-N 1 2 313.832 4.181 20 30 DIEDLO Cc1cc(Cl)ccc1C1=CC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000528740444 1045406914 /nfs/dbraw/zinc/40/69/14/1045406914.db2.gz GEPUYFBSMUNZQH-OAHLLOKOSA-N 1 2 313.832 4.181 20 30 DIEDLO CC(=O)c1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000450450880 1045507600 /nfs/dbraw/zinc/50/76/00/1045507600.db2.gz IBHZREDOGGUCBW-RTWAWAEBSA-N 1 2 318.420 4.161 20 30 DIEDLO CC(=O)c1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000450450880 1045507603 /nfs/dbraw/zinc/50/76/03/1045507603.db2.gz IBHZREDOGGUCBW-RTWAWAEBSA-N 1 2 318.420 4.161 20 30 DIEDLO C=CC[N@@H+](CCOC)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000191140110 1045660551 /nfs/dbraw/zinc/66/05/51/1045660551.db2.gz KNFKBDRCRMUGJR-CYBMUJFWSA-N 1 2 320.820 4.190 20 30 DIEDLO C=CC[N@H+](CCOC)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000191140110 1045660558 /nfs/dbraw/zinc/66/05/58/1045660558.db2.gz KNFKBDRCRMUGJR-CYBMUJFWSA-N 1 2 320.820 4.190 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000530733036 1045716293 /nfs/dbraw/zinc/71/62/93/1045716293.db2.gz XIBFVRZYHVPAAR-LPHOPBHVSA-N 1 2 312.363 4.237 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000530733036 1045716306 /nfs/dbraw/zinc/71/63/06/1045716306.db2.gz XIBFVRZYHVPAAR-LPHOPBHVSA-N 1 2 312.363 4.237 20 30 DIEDLO CC(C)n1cncc1/C=C1/CC/C(=C/c2c[nH+]cn2C(C)C)C1=O ZINC000901417895 1045728479 /nfs/dbraw/zinc/72/84/79/1045728479.db2.gz WSCWTMKQLDUYHD-DUGOVBPYSA-N 1 2 324.428 4.071 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(F)cc1OC(F)F ZINC000901481457 1045744988 /nfs/dbraw/zinc/74/49/88/1045744988.db2.gz VGEZCHQHAJBGHW-GQCTYLIASA-N 1 2 324.302 4.101 20 30 DIEDLO CCSc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1 ZINC000901486344 1045746923 /nfs/dbraw/zinc/74/69/23/1045746923.db2.gz DBXKVRIRSDVOJU-JXMROGBWSA-N 1 2 300.427 4.472 20 30 DIEDLO C=CCc1cccc(C[N@@H+](C)Cc2csc(C(C)C)n2)c1O ZINC001138627548 1045794637 /nfs/dbraw/zinc/79/46/37/1045794637.db2.gz ABZZMESFONVNPE-UHFFFAOYSA-N 1 2 316.470 4.333 20 30 DIEDLO C=CCc1cccc(C[N@H+](C)Cc2csc(C(C)C)n2)c1O ZINC001138627548 1045794644 /nfs/dbraw/zinc/79/46/44/1045794644.db2.gz ABZZMESFONVNPE-UHFFFAOYSA-N 1 2 316.470 4.333 20 30 DIEDLO Cc1ccc2cc(C(=O)/C=C\c3c[nH+]c4ccccn34)oc2c1 ZINC000754824045 1045929960 /nfs/dbraw/zinc/92/99/60/1045929960.db2.gz HSJJDFYWNNTILD-FPLPWBNLSA-N 1 2 302.333 4.285 20 30 DIEDLO CCN(CC)c1ccc(N[C@H](C)c2ccc(OCC#N)cc2)c[nH+]1 ZINC000192992141 1045958341 /nfs/dbraw/zinc/95/83/41/1045958341.db2.gz PHFQBBKEBIZEHM-OAHLLOKOSA-N 1 2 324.428 4.003 20 30 DIEDLO C#CC1CC[NH+](Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1 ZINC001137990096 1046047565 /nfs/dbraw/zinc/04/75/65/1046047565.db2.gz AGOBVPSLCFADCO-UHFFFAOYSA-N 1 2 319.729 4.343 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138051959 1046075280 /nfs/dbraw/zinc/07/52/80/1046075280.db2.gz SEQKJCVSCPWKAE-UHFFFAOYSA-N 1 2 304.743 4.484 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138051959 1046075292 /nfs/dbraw/zinc/07/52/92/1046075292.db2.gz SEQKJCVSCPWKAE-UHFFFAOYSA-N 1 2 304.743 4.484 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)c1cc(C#N)ccn1 ZINC000902874419 1046097872 /nfs/dbraw/zinc/09/78/72/1046097872.db2.gz FQBKFHULBRKAIC-GHMZBOCLSA-N 1 2 303.768 4.158 20 30 DIEDLO COc1c(C)cc(C[N@H+](CCC#N)Cc2ccccc2)cc1C ZINC001138425216 1046178033 /nfs/dbraw/zinc/17/80/33/1046178033.db2.gz FYQCSMPDCLSLAV-UHFFFAOYSA-N 1 2 308.425 4.228 20 30 DIEDLO COc1c(C)cc(C[N@@H+](CCC#N)Cc2ccccc2)cc1C ZINC001138425216 1046178044 /nfs/dbraw/zinc/17/80/44/1046178044.db2.gz FYQCSMPDCLSLAV-UHFFFAOYSA-N 1 2 308.425 4.228 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001138477656 1046196344 /nfs/dbraw/zinc/19/63/44/1046196344.db2.gz JHFAETDRAACUGB-UHFFFAOYSA-N 1 2 301.217 4.128 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001138477656 1046196350 /nfs/dbraw/zinc/19/63/50/1046196350.db2.gz JHFAETDRAACUGB-UHFFFAOYSA-N 1 2 301.217 4.128 20 30 DIEDLO N#CCC[N@H+](Cc1cnc(-c2ccccc2)s1)C1CCCC1 ZINC001138529510 1046214812 /nfs/dbraw/zinc/21/48/12/1046214812.db2.gz QZBYJJVSCWYESA-UHFFFAOYSA-N 1 2 311.454 4.468 20 30 DIEDLO N#CCC[N@@H+](Cc1cnc(-c2ccccc2)s1)C1CCCC1 ZINC001138529510 1046214823 /nfs/dbraw/zinc/21/48/23/1046214823.db2.gz QZBYJJVSCWYESA-UHFFFAOYSA-N 1 2 311.454 4.468 20 30 DIEDLO CC(C)(C)c1coc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000903312902 1046234388 /nfs/dbraw/zinc/23/43/88/1046234388.db2.gz CIQFOBFFINYJEM-QGZVFWFLSA-N 1 2 323.440 4.401 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000758723523 1046287628 /nfs/dbraw/zinc/28/76/28/1046287628.db2.gz XIGPRMIDDBLCBV-STXHMFSFSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000758723523 1046287638 /nfs/dbraw/zinc/28/76/38/1046287638.db2.gz XIGPRMIDDBLCBV-STXHMFSFSA-N 1 2 324.399 4.048 20 30 DIEDLO CCCCCCCCCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759468414 1046358650 /nfs/dbraw/zinc/35/86/50/1046358650.db2.gz GGVSVOOXNZOOEB-MSOLQXFVSA-N 1 2 319.493 4.433 20 30 DIEDLO C=CCOc1ccccc1C[N@H+](C)Cc1nc2ccccc2o1 ZINC001139030343 1046365479 /nfs/dbraw/zinc/36/54/79/1046365479.db2.gz JVYQJKZKMAWTGX-UHFFFAOYSA-N 1 2 308.381 4.025 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1nc2ccccc2o1 ZINC001139030343 1046365491 /nfs/dbraw/zinc/36/54/91/1046365491.db2.gz JVYQJKZKMAWTGX-UHFFFAOYSA-N 1 2 308.381 4.025 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cc2ccccc2s1 ZINC000780189430 1046377419 /nfs/dbraw/zinc/37/74/19/1046377419.db2.gz ZZNCBYJNWDIUEC-HJWRWDBZSA-N 1 2 304.374 4.445 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(Oc2ccccc2)nc1 ZINC001139245153 1046418402 /nfs/dbraw/zinc/41/84/02/1046418402.db2.gz LNASJZDDXBRAJA-UHFFFAOYSA-N 1 2 309.413 4.390 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Oc2ccccc2)nc1 ZINC001139245153 1046418408 /nfs/dbraw/zinc/41/84/08/1046418408.db2.gz LNASJZDDXBRAJA-UHFFFAOYSA-N 1 2 309.413 4.390 20 30 DIEDLO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C#N)C3)s2)cc1 ZINC001139287351 1046425814 /nfs/dbraw/zinc/42/58/14/1046425814.db2.gz LYZJWABHVXCHGX-CQSZACIVSA-N 1 2 312.438 4.159 20 30 DIEDLO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](C#N)C3)s2)cc1 ZINC001139287351 1046425824 /nfs/dbraw/zinc/42/58/24/1046425824.db2.gz LYZJWABHVXCHGX-CQSZACIVSA-N 1 2 312.438 4.159 20 30 DIEDLO C[C@H](C#N)C[N@H+](Cc1cccc(SC(F)(F)F)c1)C1CC1 ZINC000781337533 1046441408 /nfs/dbraw/zinc/44/14/08/1046441408.db2.gz FPHLEUMPXPAZOY-LLVKDONJSA-N 1 2 314.376 4.423 20 30 DIEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(SC(F)(F)F)c1)C1CC1 ZINC000781337533 1046441412 /nfs/dbraw/zinc/44/14/12/1046441412.db2.gz FPHLEUMPXPAZOY-LLVKDONJSA-N 1 2 314.376 4.423 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417507 1046448802 /nfs/dbraw/zinc/44/88/02/1046448802.db2.gz KLIDBAPDPDFMJV-CYBMUJFWSA-N 1 2 300.789 4.336 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417507 1046448809 /nfs/dbraw/zinc/44/88/09/1046448809.db2.gz KLIDBAPDPDFMJV-CYBMUJFWSA-N 1 2 300.789 4.336 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417290 1046449127 /nfs/dbraw/zinc/44/91/27/1046449127.db2.gz XEADZJYNWAVCDS-KRWDZBQOSA-N 1 2 300.789 4.336 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417290 1046449134 /nfs/dbraw/zinc/44/91/34/1046449134.db2.gz XEADZJYNWAVCDS-KRWDZBQOSA-N 1 2 300.789 4.336 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000826861683 1046475379 /nfs/dbraw/zinc/47/53/79/1046475379.db2.gz IPALFXRSQOVHTM-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000826861683 1046475385 /nfs/dbraw/zinc/47/53/85/1046475385.db2.gz IPALFXRSQOVHTM-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO CCOc1ccncc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001139631453 1046491167 /nfs/dbraw/zinc/49/11/67/1046491167.db2.gz ZBSVKFCSDBDOFE-UHFFFAOYSA-N 1 2 315.461 4.309 20 30 DIEDLO CCOc1ccncc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001139631453 1046491168 /nfs/dbraw/zinc/49/11/68/1046491168.db2.gz ZBSVKFCSDBDOFE-UHFFFAOYSA-N 1 2 315.461 4.309 20 30 DIEDLO N#CC1(c2cccc(Nc3cccc(-n4cc[nH+]c4)c3)c2)CC1 ZINC001213320868 1046530003 /nfs/dbraw/zinc/53/00/03/1046530003.db2.gz PYQMQMJTRAEFAW-UHFFFAOYSA-N 1 2 300.365 4.171 20 30 DIEDLO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139878729 1046540441 /nfs/dbraw/zinc/54/04/41/1046540441.db2.gz VQUJRXFHNXUWEK-LJQANCHMSA-N 1 2 324.399 4.181 20 30 DIEDLO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139878729 1046540454 /nfs/dbraw/zinc/54/04/54/1046540454.db2.gz VQUJRXFHNXUWEK-LJQANCHMSA-N 1 2 324.399 4.181 20 30 DIEDLO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)c1 ZINC001139875457 1046540591 /nfs/dbraw/zinc/54/05/91/1046540591.db2.gz OUUAMBJPDWKOEO-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)c1 ZINC001139875457 1046540602 /nfs/dbraw/zinc/54/06/02/1046540602.db2.gz OUUAMBJPDWKOEO-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO CC(C)c1nc(C[N@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cs1 ZINC001140115249 1046593523 /nfs/dbraw/zinc/59/35/23/1046593523.db2.gz ROXAUDLGMOKLED-UHFFFAOYSA-N 1 2 324.453 4.251 20 30 DIEDLO CC(C)c1nc(C[N@@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cs1 ZINC001140115249 1046593538 /nfs/dbraw/zinc/59/35/38/1046593538.db2.gz ROXAUDLGMOKLED-UHFFFAOYSA-N 1 2 324.453 4.251 20 30 DIEDLO O=C1c2ccccc2SC/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783699360 1046623725 /nfs/dbraw/zinc/62/37/25/1046623725.db2.gz CIGVLMLNDJIZQB-GHXNOFRVSA-N 1 2 324.430 4.306 20 30 DIEDLO Cc1ccc(C)c(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783701086 1046624094 /nfs/dbraw/zinc/62/40/94/1046624094.db2.gz SPAVXYNFRUXAIJ-WAYWQWQTSA-N 1 2 308.406 4.447 20 30 DIEDLO Cc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cc1C ZINC000783697932 1046624407 /nfs/dbraw/zinc/62/44/07/1046624407.db2.gz XEYGJDSXLYSNJD-AATRIKPKSA-N 1 2 308.406 4.447 20 30 DIEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1F ZINC001140753625 1046883658 /nfs/dbraw/zinc/88/36/58/1046883658.db2.gz JCOGVIRCBLPCTB-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1F ZINC001140753625 1046883673 /nfs/dbraw/zinc/88/36/73/1046883673.db2.gz JCOGVIRCBLPCTB-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccccc1Cl ZINC001140754268 1046883739 /nfs/dbraw/zinc/88/37/39/1046883739.db2.gz STYBMQWDCACBAF-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccccc1Cl ZINC001140754268 1046883748 /nfs/dbraw/zinc/88/37/48/1046883748.db2.gz STYBMQWDCACBAF-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1Cl ZINC001140811790 1046910308 /nfs/dbraw/zinc/91/03/08/1046910308.db2.gz XQSJSDVLINRIAA-KRWDZBQOSA-N 1 2 311.816 4.334 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1Cl ZINC001140811790 1046910322 /nfs/dbraw/zinc/91/03/22/1046910322.db2.gz XQSJSDVLINRIAA-KRWDZBQOSA-N 1 2 311.816 4.334 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001140882453 1046940525 /nfs/dbraw/zinc/94/05/25/1046940525.db2.gz FFMDGLIUROTYQP-UHFFFAOYSA-N 1 2 318.289 4.109 20 30 DIEDLO Cc1ccc(C[N@H+](CCC#N)Cc2ccc(Cl)cc2)c(O)c1 ZINC001140958316 1046961554 /nfs/dbraw/zinc/96/15/54/1046961554.db2.gz XPNYXTNIBVFECL-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO Cc1ccc(C[N@@H+](CCC#N)Cc2ccc(Cl)cc2)c(O)c1 ZINC001140958316 1046961560 /nfs/dbraw/zinc/96/15/60/1046961560.db2.gz XPNYXTNIBVFECL-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1nc2ccc(F)cc2o1 ZINC000162593268 1047009761 /nfs/dbraw/zinc/00/97/61/1047009761.db2.gz BHGHXVCYXNIRNG-UHFFFAOYSA-N 1 2 302.374 4.217 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1nc2ccc(F)cc2o1 ZINC000162593268 1047009774 /nfs/dbraw/zinc/00/97/74/1047009774.db2.gz BHGHXVCYXNIRNG-UHFFFAOYSA-N 1 2 302.374 4.217 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000271714983 1047013291 /nfs/dbraw/zinc/01/32/91/1047013291.db2.gz OYRIUIQTHRVVCQ-LBPRGKRZSA-N 1 2 310.344 4.016 20 30 DIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000536663414 1047052990 /nfs/dbraw/zinc/05/29/90/1047052990.db2.gz JCVGKUKZADNRTE-JTQLQIEISA-N 1 2 316.754 4.483 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000536663414 1047053003 /nfs/dbraw/zinc/05/30/03/1047053003.db2.gz JCVGKUKZADNRTE-JTQLQIEISA-N 1 2 316.754 4.483 20 30 DIEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)ccc1OCc1ccccc1 ZINC001141254172 1047066209 /nfs/dbraw/zinc/06/62/09/1047066209.db2.gz DQNLHNBANOHILO-HXUWFJFHSA-N 1 2 320.436 4.310 20 30 DIEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)ccc1OCc1ccccc1 ZINC001141254172 1047066219 /nfs/dbraw/zinc/06/62/19/1047066219.db2.gz DQNLHNBANOHILO-HXUWFJFHSA-N 1 2 320.436 4.310 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC(C)C)ccn1 ZINC000649475978 1047136575 /nfs/dbraw/zinc/13/65/75/1047136575.db2.gz RISKKOUESMPNDS-UHFFFAOYSA-N 1 2 302.443 4.119 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(OC(C)C)ccn1 ZINC000649475978 1047136568 /nfs/dbraw/zinc/13/65/68/1047136568.db2.gz RISKKOUESMPNDS-UHFFFAOYSA-N 1 2 302.443 4.119 20 30 DIEDLO COc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1F ZINC001116445680 1047141615 /nfs/dbraw/zinc/14/16/15/1047141615.db2.gz RLINYNVOGDQTRS-MJGOQNOKSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1F ZINC001116445680 1047141620 /nfs/dbraw/zinc/14/16/20/1047141620.db2.gz RLINYNVOGDQTRS-MJGOQNOKSA-N 1 2 324.399 4.106 20 30 DIEDLO C#CC[N@@H+](C)[C@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 ZINC001116753181 1047173198 /nfs/dbraw/zinc/17/31/98/1047173198.db2.gz NPESNPXNSPORFD-SNVBAGLBSA-N 1 2 309.196 4.274 20 30 DIEDLO C#CC[N@H+](C)[C@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 ZINC001116753181 1047173203 /nfs/dbraw/zinc/17/32/03/1047173203.db2.gz NPESNPXNSPORFD-SNVBAGLBSA-N 1 2 309.196 4.274 20 30 DIEDLO N#Cc1ccc(C2CC[NH+](Cc3nc(Cl)cs3)CC2)cc1 ZINC000897589048 1047212508 /nfs/dbraw/zinc/21/25/08/1047212508.db2.gz RDRSQEZMDJQUPY-UHFFFAOYSA-N 1 2 317.845 4.048 20 30 DIEDLO C=C(C)C[N@@H+](CC)Cc1c(F)ccc(Br)c1F ZINC001141778386 1047288234 /nfs/dbraw/zinc/28/82/34/1047288234.db2.gz XAYJLNVHBRZRCN-UHFFFAOYSA-N 1 2 304.178 4.125 20 30 DIEDLO C=C(C)C[N@H+](CC)Cc1c(F)ccc(Br)c1F ZINC001141778386 1047288242 /nfs/dbraw/zinc/28/82/42/1047288242.db2.gz XAYJLNVHBRZRCN-UHFFFAOYSA-N 1 2 304.178 4.125 20 30 DIEDLO Cc1ccc(C[N@@H+](C)Cc2c(F)ccc(C#N)c2F)cc1C ZINC001143175926 1047538834 /nfs/dbraw/zinc/53/88/34/1047538834.db2.gz LMBCXXMXSOVVGP-UHFFFAOYSA-N 1 2 300.352 4.085 20 30 DIEDLO Cc1ccc(C[N@H+](C)Cc2c(F)ccc(C#N)c2F)cc1C ZINC001143175926 1047538841 /nfs/dbraw/zinc/53/88/41/1047538841.db2.gz LMBCXXMXSOVVGP-UHFFFAOYSA-N 1 2 300.352 4.085 20 30 DIEDLO CC(C)c1nn(-c2ccccc2)cc1C[N@H+](CCC#N)CC1CC1 ZINC000093091217 1047542873 /nfs/dbraw/zinc/54/28/73/1047542873.db2.gz CQOWLSHTUZGEKX-UHFFFAOYSA-N 1 2 322.456 4.121 20 30 DIEDLO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091217 1047542878 /nfs/dbraw/zinc/54/28/78/1047542878.db2.gz CQOWLSHTUZGEKX-UHFFFAOYSA-N 1 2 322.456 4.121 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000093091048 1047543211 /nfs/dbraw/zinc/54/32/11/1047543211.db2.gz WMBDLURHHLDJMZ-HNNXBMFYSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000093091048 1047543216 /nfs/dbraw/zinc/54/32/16/1047543216.db2.gz WMBDLURHHLDJMZ-HNNXBMFYSA-N 1 2 312.388 4.139 20 30 DIEDLO Cn1ccc2cc(CNc3[nH+]ccc4ccc(C#N)cc43)ccc21 ZINC001154803699 1047657528 /nfs/dbraw/zinc/65/75/28/1047657528.db2.gz BUKTUGRELIWOGT-UHFFFAOYSA-N 1 2 312.376 4.210 20 30 DIEDLO CC1(C)CN(c2[nH+]ccc3ccc(C#N)cc32)Cc2ccccc21 ZINC001155469446 1047682814 /nfs/dbraw/zinc/68/28/14/1047682814.db2.gz HMMUMYFXSPZOCY-UHFFFAOYSA-N 1 2 313.404 4.404 20 30 DIEDLO C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(C#N)c(F)c1 ZINC000538511951 1047685231 /nfs/dbraw/zinc/68/52/31/1047685231.db2.gz SLAZRCJEDHKGAB-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO CC(C)(C)c1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)nc1 ZINC001155854195 1047689827 /nfs/dbraw/zinc/68/98/27/1047689827.db2.gz USQMCCAPPWIQCG-UHFFFAOYSA-N 1 2 321.346 4.435 20 30 DIEDLO N#Cc1cc(Cl)cc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001155959119 1047692946 /nfs/dbraw/zinc/69/29/46/1047692946.db2.gz GFGFVAOIZVZKHR-UHFFFAOYSA-N 1 2 314.820 4.212 20 30 DIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CC1 ZINC000538762909 1047711171 /nfs/dbraw/zinc/71/11/71/1047711171.db2.gz RCPUROTXZLVADP-SNVBAGLBSA-N 1 2 314.763 4.065 20 30 DIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CC1 ZINC000538762909 1047711175 /nfs/dbraw/zinc/71/11/75/1047711175.db2.gz RCPUROTXZLVADP-SNVBAGLBSA-N 1 2 314.763 4.065 20 30 DIEDLO Cc1nc(N2CCC(C#Cc3ccccc3)CC2)cc(C(C)C)[nH+]1 ZINC001157525940 1047745155 /nfs/dbraw/zinc/74/51/55/1047745155.db2.gz HMDDVUOKUZVXHI-UHFFFAOYSA-N 1 2 319.452 4.177 20 30 DIEDLO C#C[C@@](C)(CC)Nc1ccc(-c2ccc(C(=O)OC)cc2)c(C)[nH+]1 ZINC001158743352 1047796822 /nfs/dbraw/zinc/79/68/22/1047796822.db2.gz USKITLRYKYXROQ-FQEVSTJZSA-N 1 2 322.408 4.057 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001197620737 1047850285 /nfs/dbraw/zinc/85/02/85/1047850285.db2.gz CXWKGYPINBFATD-IBGZPJMESA-N 1 2 306.409 4.001 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001197620737 1047850306 /nfs/dbraw/zinc/85/03/06/1047850306.db2.gz CXWKGYPINBFATD-IBGZPJMESA-N 1 2 306.409 4.001 20 30 DIEDLO CCCCCCCCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927098071 1047853172 /nfs/dbraw/zinc/85/31/72/1047853172.db2.gz ASXIRDXSAKANPY-UHFFFAOYSA-N 1 2 317.477 4.235 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001182998734 1047872811 /nfs/dbraw/zinc/87/28/11/1047872811.db2.gz BJPGQWYHXGZFKA-IBGZPJMESA-N 1 2 310.372 4.354 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001182998734 1047872825 /nfs/dbraw/zinc/87/28/25/1047872825.db2.gz BJPGQWYHXGZFKA-IBGZPJMESA-N 1 2 310.372 4.354 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC001182999739 1047875828 /nfs/dbraw/zinc/87/58/28/1047875828.db2.gz IZDCBKPQCYLWOL-LJQANCHMSA-N 1 2 310.372 4.354 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC001182999739 1047875845 /nfs/dbraw/zinc/87/58/45/1047875845.db2.gz IZDCBKPQCYLWOL-LJQANCHMSA-N 1 2 310.372 4.354 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1ncc(CC)s1)c1ccc(F)c(F)c1 ZINC000479422148 1047884304 /nfs/dbraw/zinc/88/43/04/1047884304.db2.gz KGBGZFVPFNIZQA-INIZCTEOSA-N 1 2 308.397 4.391 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)CCC1CCCC1)C(=O)OCC ZINC001183311834 1047916827 /nfs/dbraw/zinc/91/68/27/1047916827.db2.gz GWXDSJIZENCYGE-HIFRSBDPSA-N 1 2 301.858 4.009 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554305162 1048060281 /nfs/dbraw/zinc/06/02/81/1048060281.db2.gz IYMIZXYJDSHXSL-MRXNPFEDSA-N 1 2 315.420 4.480 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554305162 1048060294 /nfs/dbraw/zinc/06/02/94/1048060294.db2.gz IYMIZXYJDSHXSL-MRXNPFEDSA-N 1 2 315.420 4.480 20 30 DIEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000554310714 1048067052 /nfs/dbraw/zinc/06/70/52/1048067052.db2.gz NSWIVQYBTMQRRX-SFHVURJKSA-N 1 2 312.388 4.289 20 30 DIEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000554310714 1048067064 /nfs/dbraw/zinc/06/70/64/1048067064.db2.gz NSWIVQYBTMQRRX-SFHVURJKSA-N 1 2 312.388 4.289 20 30 DIEDLO Cc1cc(C#N)c(Nc2ccc[nH+]c2N2CCCC2)cc1Cl ZINC001185042154 1048121589 /nfs/dbraw/zinc/12/15/89/1048121589.db2.gz BCHVOZLYUMTBOD-UHFFFAOYSA-N 1 2 312.804 4.259 20 30 DIEDLO C=CCOc1ccccc1C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000105498883 1048139436 /nfs/dbraw/zinc/13/94/36/1048139436.db2.gz UDXGEFRVXBTXCP-UHFFFAOYSA-N 1 2 316.470 4.295 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N[C@@H](c3ccnc(F)c3)C3CC3)c2c1 ZINC001161839762 1048182275 /nfs/dbraw/zinc/18/22/75/1048182275.db2.gz FLKSISNWKLDXCG-GOSISDBHSA-N 1 2 318.355 4.204 20 30 DIEDLO Cc1cc(C#N)cc(Cl)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351557 1048271088 /nfs/dbraw/zinc/27/10/88/1048271088.db2.gz JANGQYKTPQXLGN-UHFFFAOYSA-N 1 2 312.804 4.259 20 30 DIEDLO CC(C)[NH2+]c1ccc(Nc2cccc(C#CC(C)(C)O)c2)cc1 ZINC001201499881 1048286385 /nfs/dbraw/zinc/28/63/85/1048286385.db2.gz SKOKBXLMKAFHPP-UHFFFAOYSA-N 1 2 308.425 4.373 20 30 DIEDLO C=CC[C@@H](Nc1[nH+]cccc1/C=C/C(=O)OCC)c1ccccc1 ZINC001162901785 1048381971 /nfs/dbraw/zinc/38/19/71/1048381971.db2.gz BWUXJJMGQBCLCK-KAUXGEHWSA-N 1 2 322.408 4.387 20 30 DIEDLO C[C@@H](C#N)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175717904 1048423471 /nfs/dbraw/zinc/42/34/71/1048423471.db2.gz WUUHPGNJEYXNKW-VIFPVBQESA-N 1 2 306.291 4.053 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](c1cccnc1)C(F)(F)F ZINC001164175737 1048597508 /nfs/dbraw/zinc/59/75/08/1048597508.db2.gz JMDHZAHZZJNRNC-AWEZNQCLSA-N 1 2 307.319 4.229 20 30 DIEDLO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(Cl)c1O ZINC000850488652 1048671234 /nfs/dbraw/zinc/67/12/34/1048671234.db2.gz OJTXDRLKDJVNFP-KRWDZBQOSA-N 1 2 314.816 4.201 20 30 DIEDLO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)n[nH]1 ZINC001176484337 1048694926 /nfs/dbraw/zinc/69/49/26/1048694926.db2.gz FWNJGJGCZSGSFH-LJQANCHMSA-N 1 2 322.456 4.247 20 30 DIEDLO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2C(C)(C)C#N)n[nH]1 ZINC001176484337 1048694934 /nfs/dbraw/zinc/69/49/34/1048694934.db2.gz FWNJGJGCZSGSFH-LJQANCHMSA-N 1 2 322.456 4.247 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000775398043 1048754489 /nfs/dbraw/zinc/75/44/89/1048754489.db2.gz DLBNKGVEODIKPL-OAHLLOKOSA-N 1 2 308.406 4.257 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N3CCCC[C@H]3c3cccnc3)c2c1 ZINC001166576363 1048765402 /nfs/dbraw/zinc/76/54/02/1048765402.db2.gz VEOGYLDWSSPHHX-IBGZPJMESA-N 1 2 314.392 4.233 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000775401621 1048767450 /nfs/dbraw/zinc/76/74/50/1048767450.db2.gz WRAMAEKAAZMIOF-GOSISDBHSA-N 1 2 320.367 4.335 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1ccc(F)cc1F ZINC001190708491 1048774826 /nfs/dbraw/zinc/77/48/26/1048774826.db2.gz TXGXKMFUVHEBPD-CYBMUJFWSA-N 1 2 303.327 4.300 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1ccc(F)cc1F ZINC001190708491 1048774836 /nfs/dbraw/zinc/77/48/36/1048774836.db2.gz TXGXKMFUVHEBPD-CYBMUJFWSA-N 1 2 303.327 4.300 20 30 DIEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC001176814730 1048790882 /nfs/dbraw/zinc/79/08/82/1048790882.db2.gz QGGSEYXWMKQPSA-MRXNPFEDSA-N 1 2 322.408 4.068 20 30 DIEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC001176814730 1048790897 /nfs/dbraw/zinc/79/08/97/1048790897.db2.gz QGGSEYXWMKQPSA-MRXNPFEDSA-N 1 2 322.408 4.068 20 30 DIEDLO C=CC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC001191013822 1048819832 /nfs/dbraw/zinc/81/98/32/1048819832.db2.gz OUENVLZINYPPRE-UHFFFAOYSA-N 1 2 316.189 4.125 20 30 DIEDLO C=CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001191013880 1048821875 /nfs/dbraw/zinc/82/18/75/1048821875.db2.gz QYMXCQBNZGUXEV-UHFFFAOYSA-N 1 2 315.200 4.300 20 30 DIEDLO CC(C)c1nc(CN(C)c2[nH+]ccc3ccc(C#N)cc32)cs1 ZINC001167006086 1048826571 /nfs/dbraw/zinc/82/65/71/1048826571.db2.gz ZNNGSMMMUXXZAG-UHFFFAOYSA-N 1 2 322.437 4.323 20 30 DIEDLO CC(C)c1cccc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852333183 1048837046 /nfs/dbraw/zinc/83/70/46/1048837046.db2.gz ZESQZRYBUPBMBD-NRFANRHFSA-N 1 2 319.452 4.262 20 30 DIEDLO CC(C)c1cccc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852333183 1048837058 /nfs/dbraw/zinc/83/70/58/1048837058.db2.gz ZESQZRYBUPBMBD-NRFANRHFSA-N 1 2 319.452 4.262 20 30 DIEDLO N#Cc1cc(NCc2cc(-n3cc[nH+]c3)cs2)ccc1C1CC1 ZINC001203486161 1048911038 /nfs/dbraw/zinc/91/10/38/1048911038.db2.gz VZWRPEJBGXFBHX-UHFFFAOYSA-N 1 2 320.421 4.295 20 30 DIEDLO CN(Cc1ccccc1)c1ccc(Nc2ccsc2C#N)c[nH+]1 ZINC001203515891 1048916946 /nfs/dbraw/zinc/91/69/46/1048916946.db2.gz TWWBZAFFWRLDMR-UHFFFAOYSA-N 1 2 320.421 4.395 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2ccc(Br)c(C#N)c2)c1 ZINC001203663845 1048953884 /nfs/dbraw/zinc/95/38/84/1048953884.db2.gz WYGNHBVEVYFMAW-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2ccccc2-c2ccc(C#N)cn2)c1 ZINC001203670011 1048957374 /nfs/dbraw/zinc/95/73/74/1048957374.db2.gz YEEGZCWPDVLFHQ-UHFFFAOYSA-N 1 2 300.365 4.376 20 30 DIEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1nc2ccccc2cc1C ZINC000776785080 1049007700 /nfs/dbraw/zinc/00/77/00/1049007700.db2.gz SHBPDASGJFRCMF-UHFFFAOYSA-N 1 2 304.397 4.188 20 30 DIEDLO Cc1cc(C[N@H+](Cc2ccccc2)Cc2ccc(C#N)cc2)on1 ZINC001203904960 1049028353 /nfs/dbraw/zinc/02/83/53/1049028353.db2.gz LUXXYCCUTMOCEI-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Cc1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(C#N)cc2)on1 ZINC001203904960 1049028370 /nfs/dbraw/zinc/02/83/70/1049028370.db2.gz LUXXYCCUTMOCEI-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Fc1cccc(C(F)(F)F)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001204466884 1049168813 /nfs/dbraw/zinc/16/88/13/1049168813.db2.gz UBVTVWHRTPJWDK-MRVPVSSYSA-N 1 2 315.232 4.229 20 30 DIEDLO Fc1cccc(C(F)(F)F)c1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001204466884 1049168815 /nfs/dbraw/zinc/16/88/15/1049168815.db2.gz UBVTVWHRTPJWDK-MRVPVSSYSA-N 1 2 315.232 4.229 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ncc(-c2ccccc2)o1 ZINC001193105351 1049179361 /nfs/dbraw/zinc/17/93/61/1049179361.db2.gz XUSKCTKFAKKXFC-GFCCVEGCSA-N 1 2 309.394 4.126 20 30 DIEDLO CCCCCCCC[C@@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857946523 1049213304 /nfs/dbraw/zinc/21/33/04/1049213304.db2.gz WFHGZXZSUBPCMK-SJORKVTESA-N 1 2 319.493 4.091 20 30 DIEDLO CCCCCCCCC/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987423 1049213979 /nfs/dbraw/zinc/21/39/79/1049213979.db2.gz YNXWWFMEVDGPQH-BLIJAFNYSA-N 1 2 303.450 4.141 20 30 DIEDLO CSc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC001179961190 1049251257 /nfs/dbraw/zinc/25/12/57/1049251257.db2.gz BJSSQJBMEFBDII-IRXDYDNUSA-N 1 2 312.438 4.273 20 30 DIEDLO CSc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC001179961190 1049251263 /nfs/dbraw/zinc/25/12/63/1049251263.db2.gz BJSSQJBMEFBDII-IRXDYDNUSA-N 1 2 312.438 4.273 20 30 DIEDLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC001180188876 1049298274 /nfs/dbraw/zinc/29/82/74/1049298274.db2.gz KNHOQECGFAHRKE-LJQANCHMSA-N 1 2 324.399 4.433 20 30 DIEDLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC001180188876 1049298285 /nfs/dbraw/zinc/29/82/85/1049298285.db2.gz KNHOQECGFAHRKE-LJQANCHMSA-N 1 2 324.399 4.433 20 30 DIEDLO CCCCCCCOC(=O)N[C@@H](C)c1c[nH+]c2c(C)cccn12 ZINC001194019988 1049300141 /nfs/dbraw/zinc/30/01/41/1049300141.db2.gz WZEQAWGAASAUEC-HNNXBMFYSA-N 1 2 317.433 4.400 20 30 DIEDLO C[N@H+](CCC(F)(F)F)Cc1cccc(F)c1OC(F)(F)F ZINC001204899195 1049304897 /nfs/dbraw/zinc/30/48/97/1049304897.db2.gz PCMSNVGRXNXOQW-UHFFFAOYSA-N 1 2 319.220 4.109 20 30 DIEDLO C[N@@H+](CCC(F)(F)F)Cc1cccc(F)c1OC(F)(F)F ZINC001204899195 1049304903 /nfs/dbraw/zinc/30/49/03/1049304903.db2.gz PCMSNVGRXNXOQW-UHFFFAOYSA-N 1 2 319.220 4.109 20 30 DIEDLO C#CC[N@H+](Cc1nc2c(s1)CCCC2)[C@H]1CCc2ccccc21 ZINC001204931498 1049314713 /nfs/dbraw/zinc/31/47/13/1049314713.db2.gz YGCGQQDQMKCIKS-SFHVURJKSA-N 1 2 322.477 4.145 20 30 DIEDLO C#CC[N@@H+](Cc1nc2c(s1)CCCC2)[C@H]1CCc2ccccc21 ZINC001204931498 1049314724 /nfs/dbraw/zinc/31/47/24/1049314724.db2.gz YGCGQQDQMKCIKS-SFHVURJKSA-N 1 2 322.477 4.145 20 30 DIEDLO C=CCC[C@H](CCC)[NH2+]Cc1cccc(Br)c1O ZINC001181463960 1049480644 /nfs/dbraw/zinc/48/06/44/1049480644.db2.gz IAOVHHZXLOVTFR-ZDUSSCGKSA-N 1 2 312.251 4.379 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(Cl)c1O ZINC000775657774 1049535433 /nfs/dbraw/zinc/53/54/33/1049535433.db2.gz HVASXPZQUGCKRB-UHFFFAOYSA-N 1 2 317.816 4.242 20 30 DIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(Cl)c1O ZINC000775657774 1049535444 /nfs/dbraw/zinc/53/54/44/1049535444.db2.gz HVASXPZQUGCKRB-UHFFFAOYSA-N 1 2 317.816 4.242 20 30 DIEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001205898436 1049595486 /nfs/dbraw/zinc/59/54/86/1049595486.db2.gz CBENVYHKDIPEEF-HOTGVXAUSA-N 1 2 301.434 4.263 20 30 DIEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000794719035 1049685259 /nfs/dbraw/zinc/68/52/59/1049685259.db2.gz FHVPXAWKYACZMJ-LBPRGKRZSA-N 1 2 313.788 4.014 20 30 DIEDLO Cc1ccc(Nc2ccc(C#N)cc2OC(F)(F)F)c(C)[nH+]1 ZINC001203373375 1049698033 /nfs/dbraw/zinc/69/80/33/1049698033.db2.gz MGAGIGXAMIHSIR-UHFFFAOYSA-N 1 2 307.275 4.212 20 30 DIEDLO COCc1cc(C)c(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(C)c1 ZINC001206331706 1049714832 /nfs/dbraw/zinc/71/48/32/1049714832.db2.gz YTVJMJUWUCALNB-LPYMAVHISA-N 1 2 321.424 4.210 20 30 DIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(COc2ccccc2)n1 ZINC000489394772 1049753055 /nfs/dbraw/zinc/75/30/55/1049753055.db2.gz DLJZWWHCMWGCMK-INIZCTEOSA-N 1 2 314.454 4.263 20 30 DIEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(COc2ccccc2)n1 ZINC000489394772 1049753065 /nfs/dbraw/zinc/75/30/65/1049753065.db2.gz DLJZWWHCMWGCMK-INIZCTEOSA-N 1 2 314.454 4.263 20 30 DIEDLO N#Cc1cc(F)ccc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000489553088 1049766782 /nfs/dbraw/zinc/76/67/82/1049766782.db2.gz YJKXJYSQAUGLSY-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000489553088 1049766788 /nfs/dbraw/zinc/76/67/88/1049766788.db2.gz YJKXJYSQAUGLSY-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000490820244 1049867582 /nfs/dbraw/zinc/86/75/82/1049867582.db2.gz MPNOHMSHQPIURR-JTQLQIEISA-N 1 2 324.211 4.060 20 30 DIEDLO C#CC[N@H+](CC)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000490820244 1049867602 /nfs/dbraw/zinc/86/76/02/1049867602.db2.gz MPNOHMSHQPIURR-JTQLQIEISA-N 1 2 324.211 4.060 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(Cl)s3)n2c1 ZINC000151376200 1049876166 /nfs/dbraw/zinc/87/61/66/1049876166.db2.gz XQTRSFYRHJEMCJ-ONEGZZNKSA-N 1 2 302.786 4.254 20 30 DIEDLO CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001207412888 1049888958 /nfs/dbraw/zinc/88/89/58/1049888958.db2.gz MTCKPKZGPXYKPJ-QZTJIDSGSA-N 1 2 304.478 4.032 20 30 DIEDLO CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001207412888 1049888961 /nfs/dbraw/zinc/88/89/61/1049888961.db2.gz MTCKPKZGPXYKPJ-QZTJIDSGSA-N 1 2 304.478 4.032 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC001207517917 1049902580 /nfs/dbraw/zinc/90/25/80/1049902580.db2.gz AKCHEXFVECJIRY-MRXNPFEDSA-N 1 2 310.372 4.354 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC001207517917 1049902588 /nfs/dbraw/zinc/90/25/88/1049902588.db2.gz AKCHEXFVECJIRY-MRXNPFEDSA-N 1 2 310.372 4.354 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC000570938949 1049916099 /nfs/dbraw/zinc/91/60/99/1049916099.db2.gz COVWZQSDFTXXGV-SFHVURJKSA-N 1 2 323.440 4.059 20 30 DIEDLO Cc1cc(C#N)cc(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)n1 ZINC000588013825 1049953311 /nfs/dbraw/zinc/95/33/11/1049953311.db2.gz MHXCNVSLJKTNNI-OAHLLOKOSA-N 1 2 321.428 4.088 20 30 DIEDLO CCCCCCC/C=C/C[N@@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001208120200 1049975015 /nfs/dbraw/zinc/97/50/15/1049975015.db2.gz NTCZMJPOYZNPFT-DVQDXYAYSA-N 1 2 319.493 4.323 20 30 DIEDLO CCCCCCC/C=C/C[N@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001208120200 1049975022 /nfs/dbraw/zinc/97/50/22/1049975022.db2.gz NTCZMJPOYZNPFT-DVQDXYAYSA-N 1 2 319.493 4.323 20 30 DIEDLO CCCCCCC/C=C/C[N@@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001208120201 1049975792 /nfs/dbraw/zinc/97/57/92/1049975792.db2.gz NTCZMJPOYZNPFT-SXSDINLZSA-N 1 2 319.493 4.323 20 30 DIEDLO CCCCCCC/C=C/C[N@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001208120201 1049975795 /nfs/dbraw/zinc/97/57/95/1049975795.db2.gz NTCZMJPOYZNPFT-SXSDINLZSA-N 1 2 319.493 4.323 20 30 DIEDLO Cc1cc(Oc2ccc(Nc3ccc(C#N)nc3)cc2)cc[nH+]1 ZINC001209646842 1050073973 /nfs/dbraw/zinc/07/39/73/1050073973.db2.gz OVUFTZGIARGZED-UHFFFAOYSA-N 1 2 302.337 4.193 20 30 DIEDLO Cc1cc(Nc2cnc(C#N)c(C(F)(F)F)c2)ccc1[NH+](C)C ZINC001210042024 1050127672 /nfs/dbraw/zinc/12/76/72/1050127672.db2.gz BOWQDGMBRJIDFX-UHFFFAOYSA-N 1 2 320.318 4.090 20 30 DIEDLO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770391808 1050154401 /nfs/dbraw/zinc/15/44/01/1050154401.db2.gz QCQVZKLGVLRNKE-RKCQOLGWSA-N 1 2 318.420 4.035 20 30 DIEDLO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770391808 1050154409 /nfs/dbraw/zinc/15/44/09/1050154409.db2.gz QCQVZKLGVLRNKE-RKCQOLGWSA-N 1 2 318.420 4.035 20 30 DIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3csc(C4CC4)n3)CC2)cc1 ZINC000347950806 1050163425 /nfs/dbraw/zinc/16/34/25/1050163425.db2.gz NVEFOCOFQXKINT-UHFFFAOYSA-N 1 2 321.449 4.181 20 30 DIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3csc(C4CC4)n3)CC2)cc1 ZINC000347950806 1050163430 /nfs/dbraw/zinc/16/34/30/1050163430.db2.gz NVEFOCOFQXKINT-UHFFFAOYSA-N 1 2 321.449 4.181 20 30 DIEDLO C#CCCOc1ccc(CNc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000770480786 1050165558 /nfs/dbraw/zinc/16/55/58/1050165558.db2.gz RAJRXJYYAVXVRG-UHFFFAOYSA-N 1 2 320.436 4.301 20 30 DIEDLO Cc1cc(NC(=[NH2+])c2ccc3ccccc3n2)ccc1OC(C)C ZINC001171048278 1050187549 /nfs/dbraw/zinc/18/75/49/1050187549.db2.gz NPXYEYNFCXJXGF-UHFFFAOYSA-N 1 2 319.408 4.367 20 30 DIEDLO CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592072980 1050267557 /nfs/dbraw/zinc/26/75/57/1050267557.db2.gz UBFDIXUGEILXGN-GOSISDBHSA-N 1 2 309.413 4.226 20 30 DIEDLO CCc1ccc([C@H]2CCCCC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592072980 1050267570 /nfs/dbraw/zinc/26/75/70/1050267570.db2.gz UBFDIXUGEILXGN-GOSISDBHSA-N 1 2 309.413 4.226 20 30 DIEDLO N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000592080475 1050268917 /nfs/dbraw/zinc/26/89/17/1050268917.db2.gz ROYUMJKPTFORKU-FQEVSTJZSA-N 1 2 316.408 4.162 20 30 DIEDLO N#Cc1cnccc1C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000592080475 1050268930 /nfs/dbraw/zinc/26/89/30/1050268930.db2.gz ROYUMJKPTFORKU-FQEVSTJZSA-N 1 2 316.408 4.162 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3c[nH]c4cc(F)ccc43)n2c1 ZINC000771858647 1050293079 /nfs/dbraw/zinc/29/30/79/1050293079.db2.gz JWDUHWZIKKHEPC-GQCTYLIASA-N 1 2 319.339 4.159 20 30 DIEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088451 1050306511 /nfs/dbraw/zinc/30/65/11/1050306511.db2.gz UWIAPUMRLZGIMG-BXUZGUMPSA-N 1 2 309.240 4.086 20 30 DIEDLO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088451 1050306526 /nfs/dbraw/zinc/30/65/26/1050306526.db2.gz UWIAPUMRLZGIMG-BXUZGUMPSA-N 1 2 309.240 4.086 20 30 DIEDLO N#CC1([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCCCCC1 ZINC001171093778 1050321144 /nfs/dbraw/zinc/32/11/44/1050321144.db2.gz IDRWXRFXUCCTMN-KRWDZBQOSA-N 1 2 302.849 4.403 20 30 DIEDLO C[N@H+](CCc1cccc(F)c1)Cc1c(Cl)cccc1C#N ZINC001143732906 1050343645 /nfs/dbraw/zinc/34/36/45/1050343645.db2.gz XIEDVNUFSJAFFF-UHFFFAOYSA-N 1 2 302.780 4.025 20 30 DIEDLO C[N@@H+](CCc1cccc(F)c1)Cc1c(Cl)cccc1C#N ZINC001143732906 1050343654 /nfs/dbraw/zinc/34/36/54/1050343654.db2.gz XIEDVNUFSJAFFF-UHFFFAOYSA-N 1 2 302.780 4.025 20 30 DIEDLO CCCCCCCCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000746540399 1050358466 /nfs/dbraw/zinc/35/84/66/1050358466.db2.gz SQWZTQXKMSRMJJ-UHFFFAOYSA-N 1 2 315.461 4.052 20 30 DIEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCCO[C@@H]2C(C)(C)C)c(O)c1 ZINC000735619416 1050412731 /nfs/dbraw/zinc/41/27/31/1050412731.db2.gz MVZNJYPXCUNBSW-KUDSMGGUSA-N 1 2 319.445 4.051 20 30 DIEDLO C[N@H+](Cc1csc(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000046519214 1050495428 /nfs/dbraw/zinc/49/54/28/1050495428.db2.gz FQHAVIBTDNOZHD-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO C[N@@H+](Cc1csc(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000046519214 1050495439 /nfs/dbraw/zinc/49/54/39/1050495439.db2.gz FQHAVIBTDNOZHD-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3ccc(C#N)cc3)nc2c1 ZINC000574726164 1050504611 /nfs/dbraw/zinc/50/46/11/1050504611.db2.gz VLTKGKIIYKWNPA-IBGZPJMESA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3ccc(C#N)cc3)nc2c1 ZINC000574726164 1050504623 /nfs/dbraw/zinc/50/46/23/1050504623.db2.gz VLTKGKIIYKWNPA-IBGZPJMESA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000574726164 1050504637 /nfs/dbraw/zinc/50/46/37/1050504637.db2.gz VLTKGKIIYKWNPA-IBGZPJMESA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2nc([C@@H]3CCC[N@H+]3Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000574726164 1050504652 /nfs/dbraw/zinc/50/46/52/1050504652.db2.gz VLTKGKIIYKWNPA-IBGZPJMESA-N 1 2 316.408 4.080 20 30 DIEDLO N#CC1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCCCC1 ZINC000594981320 1050588450 /nfs/dbraw/zinc/58/84/50/1050588450.db2.gz NCMARGYIPFEXAY-UHFFFAOYSA-N 1 2 311.454 4.374 20 30 DIEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ncc(-c2ccccc2)n1C ZINC000595092200 1050611475 /nfs/dbraw/zinc/61/14/75/1050611475.db2.gz ZEMPHPLMAPGLER-INIZCTEOSA-N 1 2 322.456 4.212 20 30 DIEDLO CC(C)COc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000740764264 1050625617 /nfs/dbraw/zinc/62/56/17/1050625617.db2.gz PPQFSOIVZVGJKC-DHZHZOJOSA-N 1 2 320.392 4.265 20 30 DIEDLO N#CC1(c2cccc(Nc3cc(Cl)c4[nH+]ccn4c3)c2)CC1 ZINC001213316966 1050626788 /nfs/dbraw/zinc/62/67/88/1050626788.db2.gz OHGAQBQIENLMDI-UHFFFAOYSA-N 1 2 308.772 4.286 20 30 DIEDLO N#CC1(c2cccc(Nc3ccc[nH+]c3N3CCCCC3)c2)CC1 ZINC001213314212 1050627128 /nfs/dbraw/zinc/62/71/28/1050627128.db2.gz PSYLEYWYPNQCEA-UHFFFAOYSA-N 1 2 318.424 4.371 20 30 DIEDLO N#CC1(c2cccc(Nc3ccc(Cn4cc[nH+]c4)cc3)c2)CC1 ZINC001213323035 1050628611 /nfs/dbraw/zinc/62/86/11/1050628611.db2.gz AJVBDMZCPLMCDQ-UHFFFAOYSA-N 1 2 314.392 4.230 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c(F)c1 ZINC000595675294 1050661334 /nfs/dbraw/zinc/66/13/34/1050661334.db2.gz MAJNDIBLVSHUHP-SFHVURJKSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c(F)c1 ZINC000595675294 1050661339 /nfs/dbraw/zinc/66/13/39/1050661339.db2.gz MAJNDIBLVSHUHP-SFHVURJKSA-N 1 2 310.372 4.408 20 30 DIEDLO CC(C)O[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000593122846 1050670366 /nfs/dbraw/zinc/67/03/66/1050670366.db2.gz AGJIMHMQPBRZBU-FQEVSTJZSA-N 1 2 306.409 4.040 20 30 DIEDLO CC(C)O[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000593122846 1050670374 /nfs/dbraw/zinc/67/03/74/1050670374.db2.gz AGJIMHMQPBRZBU-FQEVSTJZSA-N 1 2 306.409 4.040 20 30 DIEDLO Cc1cc(C)c(Nc2nc(-c3ccc(C#N)s3)cs2)c[nH+]1 ZINC001213513502 1050677499 /nfs/dbraw/zinc/67/74/99/1050677499.db2.gz PZLSSPXBRDCWOK-UHFFFAOYSA-N 1 2 312.423 4.499 20 30 DIEDLO CCOc1cccc(/C=[NH+]\C[C@@H](C)Cc2cccs2)c1O ZINC000741464304 1050680182 /nfs/dbraw/zinc/68/01/82/1050680182.db2.gz NQXOOPKOCCVWBZ-CYUIRQCWSA-N 1 2 303.427 4.150 20 30 DIEDLO CCOc1cccc(/C=[NH+]/CCc2c[nH]c3c2cccc3C)c1O ZINC000741466154 1050682232 /nfs/dbraw/zinc/68/22/32/1050682232.db2.gz GPEDDXIHNNIRHR-CIAFOILYSA-N 1 2 322.408 4.242 20 30 DIEDLO Cc1c[nH+]cc(Nc2ccccc2-c2ccc(C#N)cn2)c1C ZINC001213536219 1050682426 /nfs/dbraw/zinc/68/24/26/1050682426.db2.gz CEYADHGAKVVOPA-UHFFFAOYSA-N 1 2 300.365 4.376 20 30 DIEDLO CCOc1cccc(/C=[NH+]/C[C@@H](C)Cc2cccs2)c1O ZINC000741464308 1050682512 /nfs/dbraw/zinc/68/25/12/1050682512.db2.gz NQXOOPKOCCVWBZ-HTMJNSLASA-N 1 2 303.427 4.150 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3cc(C)c(F)c(C)c3)c[nH+]c12 ZINC000741466692 1050682587 /nfs/dbraw/zinc/68/25/87/1050682587.db2.gz AZPMDVYSDQIEDF-VOTSOKGWSA-N 1 2 308.356 4.295 20 30 DIEDLO CCOc1ccc(/C=[NH+]/CCc2c[nH]c3c2cccc3C)c(O)c1 ZINC000741466353 1050683242 /nfs/dbraw/zinc/68/32/42/1050683242.db2.gz NYCXBRFRVVGNEJ-CIAFOILYSA-N 1 2 322.408 4.242 20 30 DIEDLO N#CC[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000596325171 1050707479 /nfs/dbraw/zinc/70/74/79/1050707479.db2.gz HPWNPDSRZCYGEX-LLVKDONJSA-N 1 2 303.768 4.157 20 30 DIEDLO Cc1ncsc1-c1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000597026889 1050799327 /nfs/dbraw/zinc/79/93/27/1050799327.db2.gz RXGHVAXTYGBAQD-CYBMUJFWSA-N 1 2 311.454 4.243 20 30 DIEDLO Cc1ncsc1-c1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000597026889 1050799340 /nfs/dbraw/zinc/79/93/40/1050799340.db2.gz RXGHVAXTYGBAQD-CYBMUJFWSA-N 1 2 311.454 4.243 20 30 DIEDLO CN(c1ccc(Nc2c(O)cccc2C#N)c[nH+]1)C1CCCCC1 ZINC001212615369 1050816652 /nfs/dbraw/zinc/81/66/52/1050816652.db2.gz WYKPUEZLGVSRAZ-UHFFFAOYSA-N 1 2 322.412 4.171 20 30 DIEDLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597173885 1050819515 /nfs/dbraw/zinc/81/95/15/1050819515.db2.gz MPYUTCMCNGUWDG-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597173885 1050819533 /nfs/dbraw/zinc/81/95/33/1050819533.db2.gz MPYUTCMCNGUWDG-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000597230933 1050827764 /nfs/dbraw/zinc/82/77/64/1050827764.db2.gz VBXQQOPJQAOPGU-FQEVSTJZSA-N 1 2 324.399 4.140 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000597230933 1050827772 /nfs/dbraw/zinc/82/77/72/1050827772.db2.gz VBXQQOPJQAOPGU-FQEVSTJZSA-N 1 2 324.399 4.140 20 30 DIEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)c1cccc(C#N)c1 ZINC000789737972 1050882209 /nfs/dbraw/zinc/88/22/09/1050882209.db2.gz HPHNMEQEEKSGDW-LBPRGKRZSA-N 1 2 313.788 4.014 20 30 DIEDLO C=CC[C@H](C)[C@@H](C)[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000790500255 1050965161 /nfs/dbraw/zinc/96/51/61/1050965161.db2.gz ORVDXKJNMZPXFC-MWDXBVQZSA-N 1 2 302.462 4.313 20 30 DIEDLO Cc1ccc([C@@H]2OCCC[C@@H]2C/[NH+]=C\c2ccccc2O)cc1 ZINC000743045689 1050978330 /nfs/dbraw/zinc/97/83/30/1050978330.db2.gz UAYSIVXYFJEBAV-UJIAUOKBSA-N 1 2 309.409 4.287 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001171372087 1051027078 /nfs/dbraw/zinc/02/70/78/1051027078.db2.gz DNJCLPRQEMCRPK-HNNXBMFYSA-N 1 2 319.408 4.375 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1cccc(C(=[NH2+])OC)c1 ZINC001171374193 1051037143 /nfs/dbraw/zinc/03/71/43/1051037143.db2.gz OPVJULXFPDOQNF-AWEZNQCLSA-N 1 2 310.397 4.396 20 30 DIEDLO CCCCCCC[C@H](CC)[NH2+][C@H]1Oc2ccc(CCO)cc2O1 ZINC001172357057 1051372182 /nfs/dbraw/zinc/37/21/82/1051372182.db2.gz IZBHFJPNKPWTSR-LPHOPBHVSA-N 1 2 321.461 4.005 20 30 DIEDLO CCCCCCC[C@@H](CC)[NH2+][C@H]1Oc2ccc(CCO)cc2O1 ZINC001172357053 1051372607 /nfs/dbraw/zinc/37/26/07/1051372607.db2.gz IZBHFJPNKPWTSR-APWZRJJASA-N 1 2 321.461 4.005 20 30 DIEDLO CCCCCCC[C@@H](CC)[NH2+][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001172357072 1051372952 /nfs/dbraw/zinc/37/29/52/1051372952.db2.gz IZBHFJPNKPWTSR-VQIMIIECSA-N 1 2 321.461 4.005 20 30 DIEDLO N#CCOc1ccc(CNc2cc[nH+]c3c(Cl)cccc23)cc1 ZINC000804426617 1051398770 /nfs/dbraw/zinc/39/87/70/1051398770.db2.gz MOLCFHMGFQEUTR-UHFFFAOYSA-N 1 2 323.783 4.403 20 30 DIEDLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCC1(C#N)CCCCC1 ZINC001168873622 1051460777 /nfs/dbraw/zinc/46/07/77/1051460777.db2.gz QIKMRJOXKYHGAM-CQSZACIVSA-N 1 2 305.853 4.382 20 30 DIEDLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001168873622 1051460786 /nfs/dbraw/zinc/46/07/86/1051460786.db2.gz QIKMRJOXKYHGAM-CQSZACIVSA-N 1 2 305.853 4.382 20 30 DIEDLO CC(C)(C)n1cc(C#N)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693192 1051574538 /nfs/dbraw/zinc/57/45/38/1051574538.db2.gz HXUITSKHIZPMPJ-UHFFFAOYSA-N 1 2 319.412 4.103 20 30 DIEDLO C[C@H](CC(c1ccccc1)c1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC001173216922 1051634475 /nfs/dbraw/zinc/63/44/75/1051634475.db2.gz ZGENWHFMMPDDLZ-QGZVFWFLSA-N 1 2 304.437 4.443 20 30 DIEDLO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC001173216920 1051635155 /nfs/dbraw/zinc/63/51/55/1051635155.db2.gz ZGENWHFMMPDDLZ-KRWDZBQOSA-N 1 2 304.437 4.443 20 30 DIEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001169714769 1051682215 /nfs/dbraw/zinc/68/22/15/1051682215.db2.gz DINUHLKELYTQSW-LJQANCHMSA-N 1 2 312.363 4.077 20 30 DIEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001169714769 1051682219 /nfs/dbraw/zinc/68/22/19/1051682219.db2.gz DINUHLKELYTQSW-LJQANCHMSA-N 1 2 312.363 4.077 20 30 DIEDLO N#CC12CCC(Nc3cc(-c4ccncc4)cc[nH+]3)(CC1)CC2 ZINC001169746986 1051685791 /nfs/dbraw/zinc/68/57/91/1051685791.db2.gz USNHZSQQXYXEJJ-UHFFFAOYSA-N 1 2 304.397 4.172 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccccc1 ZINC000766851598 1051708482 /nfs/dbraw/zinc/70/84/82/1051708482.db2.gz FNVLWSDZZFMDJC-QGZVFWFLSA-N 1 2 319.433 4.059 20 30 DIEDLO Cc1ccccc1CC(N)=[NH+]OCc1ccccc1C(C)(C)C#N ZINC000767827404 1051856247 /nfs/dbraw/zinc/85/62/47/1051856247.db2.gz JKIHCSOJSRPCJR-UHFFFAOYSA-N 1 2 321.424 4.037 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1csc(C(C)C)n1 ZINC000768776187 1051965020 /nfs/dbraw/zinc/96/50/20/1051965020.db2.gz CKYWZMIEZPARPC-UHFFFAOYSA-N 1 2 310.426 4.073 20 30 DIEDLO C=CC[N@@H+](C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000494690405 1052004001 /nfs/dbraw/zinc/00/40/01/1052004001.db2.gz KNVNSBQZOUKAKR-UHFFFAOYSA-N 1 2 312.360 4.447 20 30 DIEDLO C=CC[N@H+](C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000494690405 1052004011 /nfs/dbraw/zinc/00/40/11/1052004011.db2.gz KNVNSBQZOUKAKR-UHFFFAOYSA-N 1 2 312.360 4.447 20 30 DIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000769542843 1052077331 /nfs/dbraw/zinc/07/73/31/1052077331.db2.gz CPANQAOTIGKUJT-LLVKDONJSA-N 1 2 314.376 4.423 20 30 DIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000769542843 1052077341 /nfs/dbraw/zinc/07/73/41/1052077341.db2.gz CPANQAOTIGKUJT-LLVKDONJSA-N 1 2 314.376 4.423 20 30 DIEDLO C[C@@H]1Sc2sccc2C(=O)/C1=C\c1cccc2[nH+]ccn21 ZINC000769608302 1052086486 /nfs/dbraw/zinc/08/64/86/1052086486.db2.gz AIACMIGCBMBADX-AVMBBCFPSA-N 1 2 312.419 4.156 20 30 DIEDLO N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1Cl ZINC001174399766 1052121809 /nfs/dbraw/zinc/12/18/09/1052121809.db2.gz CWCQIZINZPZROR-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO C#C[C@H](C)[N@@H+](C)Cc1cc2ccc(SC)cc2nc1Cl ZINC000769962689 1052130298 /nfs/dbraw/zinc/13/02/98/1052130298.db2.gz HQTFMLOSRDCSSV-NSHDSACASA-N 1 2 304.846 4.064 20 30 DIEDLO C#C[C@H](C)[N@H+](C)Cc1cc2ccc(SC)cc2nc1Cl ZINC000769962689 1052130302 /nfs/dbraw/zinc/13/03/02/1052130302.db2.gz HQTFMLOSRDCSSV-NSHDSACASA-N 1 2 304.846 4.064 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3cnc(C#N)c(Cl)c3)ccc21 ZINC001174382442 1052142791 /nfs/dbraw/zinc/14/27/91/1052142791.db2.gz PYKPKIPEISDGLS-UHFFFAOYSA-N 1 2 311.776 4.281 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2nc1Cl ZINC000914788881 1052254444 /nfs/dbraw/zinc/25/44/44/1052254444.db2.gz JBIDNKMXOVQLEU-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2nc1Cl ZINC000914788881 1052254453 /nfs/dbraw/zinc/25/44/53/1052254453.db2.gz JBIDNKMXOVQLEU-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO COc1cccc(/C=[NH+]\CCc2ccc3ccccc3c2)c1O ZINC000915112770 1052349642 /nfs/dbraw/zinc/34/96/42/1052349642.db2.gz FRYOROASXXJCSS-STZFKDTASA-N 1 2 305.377 4.216 20 30 DIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2csc(Cl)c2Cl)c1 ZINC000762448231 1052383334 /nfs/dbraw/zinc/38/33/34/1052383334.db2.gz JXOJIEGUPBQXEK-UHFFFAOYSA-N 1 2 315.200 4.355 20 30 DIEDLO CC(C)c1[nH+]c(/C=C/C(=O)c2ccccc2O)c2ccccn21 ZINC000762601084 1052406051 /nfs/dbraw/zinc/40/60/51/1052406051.db2.gz ZAMREBAVTYRHNW-ZHACJKMWSA-N 1 2 306.365 4.059 20 30 DIEDLO Cc1nc(CC/[NH+]=C\c2c(O)ccc3ccccc32)sc1C ZINC000763097054 1052499917 /nfs/dbraw/zinc/49/99/17/1052499917.db2.gz NSECUISHBDGMKH-ODLFYWEKSA-N 1 2 310.422 4.280 20 30 DIEDLO COc1cccc(CC/[NH+]=C/c2c(O)ccc3ccccc32)c1 ZINC000915980034 1052573121 /nfs/dbraw/zinc/57/31/21/1052573121.db2.gz WVPBQGNYDUVNPT-KGENOOAVSA-N 1 2 305.377 4.216 20 30 DIEDLO COc1cccc(/C=[NH+]\CCc2csc3ccccc23)c1O ZINC000915981922 1052574071 /nfs/dbraw/zinc/57/40/71/1052574071.db2.gz ZKTJXTPRCNATDO-ODLFYWEKSA-N 1 2 311.406 4.277 20 30 DIEDLO CCOc1ccc(/C=[NH+]/CCCn2ccc3ccccc32)c(O)c1 ZINC000920944221 1052956142 /nfs/dbraw/zinc/95/61/42/1052956142.db2.gz JPDIVOBLEGAYNG-RCCKNPSSSA-N 1 2 322.408 4.255 20 30 DIEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000610003993 1053002350 /nfs/dbraw/zinc/00/23/50/1053002350.db2.gz WXSWMQLLOODGJH-CQSZACIVSA-N 1 2 319.383 4.069 20 30 DIEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000610003993 1053002355 /nfs/dbraw/zinc/00/23/55/1053002355.db2.gz WXSWMQLLOODGJH-CQSZACIVSA-N 1 2 319.383 4.069 20 30 DIEDLO C=C1CC[NH+](Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC001319701550 1053263713 /nfs/dbraw/zinc/26/37/13/1053263713.db2.gz IGCFLNNTWQLWDG-UHFFFAOYSA-N 1 2 319.298 4.041 20 30 DIEDLO CCSCc1cc[nH+]c(NC2CC(C#N)(c3ccccc3)C2)c1 ZINC001320562009 1053343591 /nfs/dbraw/zinc/34/35/91/1053343591.db2.gz MXTSNYNHQJMRTE-UHFFFAOYSA-N 1 2 323.465 4.371 20 30 DIEDLO C=CC1(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC001434931664 1053390745 /nfs/dbraw/zinc/39/07/45/1053390745.db2.gz CATCERLZNGZFAY-UHFFFAOYSA-N 1 2 323.440 4.015 20 30 DIEDLO Cc1cc(N[C@@H](C)c2ccc(OCC#N)cc2)ccc1[NH+](C)C ZINC000182852515 1053532699 /nfs/dbraw/zinc/53/26/99/1053532699.db2.gz USXUGVAXBZKWLH-HNNXBMFYSA-N 1 2 309.413 4.137 20 30 DIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000619783038 1053559505 /nfs/dbraw/zinc/55/95/05/1053559505.db2.gz PGFSFKUPUGYNNS-UHFFFAOYSA-N 1 2 324.399 4.021 20 30 DIEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000619783038 1053559522 /nfs/dbraw/zinc/55/95/22/1053559522.db2.gz PGFSFKUPUGYNNS-UHFFFAOYSA-N 1 2 324.399 4.021 20 30 DIEDLO C=CC[N@@H+](Cc1nc2ccc(F)cc2o1)Cc1cccc(C#N)c1 ZINC000163182662 1053655092 /nfs/dbraw/zinc/65/50/92/1053655092.db2.gz YIIUQGCSLAHIGQ-UHFFFAOYSA-N 1 2 321.355 4.027 20 30 DIEDLO C=CC[N@H+](Cc1nc2ccc(F)cc2o1)Cc1cccc(C#N)c1 ZINC000163182662 1053655098 /nfs/dbraw/zinc/65/50/98/1053655098.db2.gz YIIUQGCSLAHIGQ-UHFFFAOYSA-N 1 2 321.355 4.027 20 30 DIEDLO C[C@H](Oc1ccc(-c2c[nH+]cn2C)cc1)c1ccccc1C#N ZINC001231084011 1053671363 /nfs/dbraw/zinc/67/13/63/1053671363.db2.gz SJWMKXQAZJPOKP-AWEZNQCLSA-N 1 2 303.365 4.099 20 30 DIEDLO C=C[C@H](CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000154907176 1053752442 /nfs/dbraw/zinc/75/24/42/1053752442.db2.gz XQTPWUGJYJGXRY-MRXNPFEDSA-N 1 2 317.392 4.171 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)c(Cl)c1)Cc1ccc(F)cc1F ZINC001232117097 1053964421 /nfs/dbraw/zinc/96/44/21/1053964421.db2.gz UXBIBPHGMKJZEG-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)c(Cl)c1)Cc1ccc(F)cc1F ZINC001232117097 1053964435 /nfs/dbraw/zinc/96/44/35/1053964435.db2.gz UXBIBPHGMKJZEG-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC(C)Oc1ccc[nH+]c1NCc1ccc(C(C)(C)C#N)cc1 ZINC001329113047 1053967120 /nfs/dbraw/zinc/96/71/20/1053967120.db2.gz IEKASJUQHACFAQ-UHFFFAOYSA-N 1 2 309.413 4.282 20 30 DIEDLO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232442243 1054043972 /nfs/dbraw/zinc/04/39/72/1054043972.db2.gz XOHNYBPQUJLWAQ-JTQLQIEISA-N 1 2 319.220 4.022 20 30 DIEDLO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232442243 1054043983 /nfs/dbraw/zinc/04/39/83/1054043983.db2.gz XOHNYBPQUJLWAQ-JTQLQIEISA-N 1 2 319.220 4.022 20 30 DIEDLO N#Cc1ccnc(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001232479177 1054054140 /nfs/dbraw/zinc/05/41/40/1054054140.db2.gz NZFUVPCYHHZOFY-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001232479177 1054054155 /nfs/dbraw/zinc/05/41/55/1054054155.db2.gz NZFUVPCYHHZOFY-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(C#N)ccc1O ZINC001232674686 1054097126 /nfs/dbraw/zinc/09/71/26/1054097126.db2.gz CRQSTKIWQILNTB-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(C#N)ccc1O ZINC001232674686 1054097135 /nfs/dbraw/zinc/09/71/35/1054097135.db2.gz CRQSTKIWQILNTB-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cccnc2)s1 ZINC001232844289 1054129819 /nfs/dbraw/zinc/12/98/19/1054129819.db2.gz WRSCRKITNHFQLW-UHFFFAOYSA-N 1 2 319.433 4.217 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cccnc2)s1 ZINC001232844289 1054129824 /nfs/dbraw/zinc/12/98/24/1054129824.db2.gz WRSCRKITNHFQLW-UHFFFAOYSA-N 1 2 319.433 4.217 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)s1 ZINC001232845376 1054130926 /nfs/dbraw/zinc/13/09/26/1054130926.db2.gz UCGOMIULAIBADB-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)s1 ZINC001232845376 1054130934 /nfs/dbraw/zinc/13/09/34/1054130934.db2.gz UCGOMIULAIBADB-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccccc1-n1cccc1 ZINC001232906862 1054146682 /nfs/dbraw/zinc/14/66/82/1054146682.db2.gz AGAQDCSMXLTDEV-UHFFFAOYSA-N 1 2 315.420 4.393 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccccc1-n1cccc1 ZINC001232906862 1054146690 /nfs/dbraw/zinc/14/66/90/1054146690.db2.gz AGAQDCSMXLTDEV-UHFFFAOYSA-N 1 2 315.420 4.393 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)n1 ZINC001232924589 1054149912 /nfs/dbraw/zinc/14/99/12/1054149912.db2.gz MDLGMVXETROKGS-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)n1 ZINC001232924589 1054149918 /nfs/dbraw/zinc/14/99/18/1054149918.db2.gz MDLGMVXETROKGS-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO N#CC1(c2ccccc2)CC[NH+](Cc2ccsc2Cl)CC1 ZINC001233053757 1054177479 /nfs/dbraw/zinc/17/74/79/1054177479.db2.gz UUNLYTGBOLHZTO-UHFFFAOYSA-N 1 2 316.857 4.459 20 30 DIEDLO N#Cc1nc(Nc2ccc(NC3CCCC3)[nH+]c2)ccc1Cl ZINC000486955929 1054408856 /nfs/dbraw/zinc/40/88/56/1054408856.db2.gz HKZIHOGOQMICCS-UHFFFAOYSA-N 1 2 313.792 4.100 20 30 DIEDLO CC[N@H+](Cc1ccc(C)c(C)c1)Cc1c(F)cc(C#N)cc1F ZINC001235660478 1054762511 /nfs/dbraw/zinc/76/25/11/1054762511.db2.gz FGERNQGOHCTQJT-UHFFFAOYSA-N 1 2 314.379 4.475 20 30 DIEDLO CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1c(F)cc(C#N)cc1F ZINC001235660478 1054762527 /nfs/dbraw/zinc/76/25/27/1054762527.db2.gz FGERNQGOHCTQJT-UHFFFAOYSA-N 1 2 314.379 4.475 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2cc3sccc3nc2Cl)CC1 ZINC001236863844 1055295907 /nfs/dbraw/zinc/29/59/07/1055295907.db2.gz JAWTYZBBXBZFPV-UHFFFAOYSA-N 1 2 305.834 4.075 20 30 DIEDLO C=C(C)c1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC001563364209 1055331028 /nfs/dbraw/zinc/33/10/28/1055331028.db2.gz SHJNJIRTCBIKDO-UHFFFAOYSA-N 1 2 324.428 4.129 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cc(O)cc2ccccc21 ZINC001237068454 1055360469 /nfs/dbraw/zinc/36/04/69/1055360469.db2.gz PWZWLPYZHXFSPZ-UHFFFAOYSA-N 1 2 316.404 4.461 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cc(O)cc2ccccc21 ZINC001237068454 1055360483 /nfs/dbraw/zinc/36/04/83/1055360483.db2.gz PWZWLPYZHXFSPZ-UHFFFAOYSA-N 1 2 316.404 4.461 20 30 DIEDLO N#CCC[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C1CCCC1 ZINC001237080467 1055364736 /nfs/dbraw/zinc/36/47/36/1055364736.db2.gz DBNKZVXCGKVQFV-UHFFFAOYSA-N 1 2 313.228 4.357 20 30 DIEDLO N#CCC[N@H+](Cc1c(O)ccc(Cl)c1Cl)C1CCCC1 ZINC001237080467 1055364752 /nfs/dbraw/zinc/36/47/52/1055364752.db2.gz DBNKZVXCGKVQFV-UHFFFAOYSA-N 1 2 313.228 4.357 20 30 DIEDLO Cn1cc(C[N@@H+]2Cc3ccc(Cl)cc3C2)c2cc(C#N)ccc21 ZINC001237473157 1055458487 /nfs/dbraw/zinc/45/84/87/1055458487.db2.gz GDLWSOBJVXENOW-UHFFFAOYSA-N 1 2 321.811 4.219 20 30 DIEDLO Cn1cc(C[N@H+]2Cc3ccc(Cl)cc3C2)c2cc(C#N)ccc21 ZINC001237473157 1055458491 /nfs/dbraw/zinc/45/84/91/1055458491.db2.gz GDLWSOBJVXENOW-UHFFFAOYSA-N 1 2 321.811 4.219 20 30 DIEDLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530032 1055470151 /nfs/dbraw/zinc/47/01/51/1055470151.db2.gz MEIWPBPMUHUGPQ-LJQANCHMSA-N 1 2 312.363 4.346 20 30 DIEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530032 1055470157 /nfs/dbraw/zinc/47/01/57/1055470157.db2.gz MEIWPBPMUHUGPQ-LJQANCHMSA-N 1 2 312.363 4.346 20 30 DIEDLO CCCCCCCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001537910455 1055473861 /nfs/dbraw/zinc/47/38/61/1055473861.db2.gz XNTWXLFBYCJVRR-INIZCTEOSA-N 1 2 322.518 4.314 20 30 DIEDLO N#CCC1CC[NH+](Cc2c(Cl)cc(F)cc2Cl)CC1 ZINC001237595938 1055483312 /nfs/dbraw/zinc/48/33/12/1055483312.db2.gz HSWKSTIIPVUXDP-UHFFFAOYSA-N 1 2 301.192 4.258 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(Cl)c(F)c3)c[nH+]c12 ZINC000765613352 1055514659 /nfs/dbraw/zinc/51/46/59/1055514659.db2.gz QCNPLJUKZPIWQP-ALCCZGGFSA-N 1 2 314.747 4.331 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237921900 1055560611 /nfs/dbraw/zinc/56/06/11/1055560611.db2.gz XDNCJAVZFDXZSH-IBGZPJMESA-N 1 2 306.409 4.001 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237921900 1055560614 /nfs/dbraw/zinc/56/06/14/1055560614.db2.gz XDNCJAVZFDXZSH-IBGZPJMESA-N 1 2 306.409 4.001 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238071076 1055600407 /nfs/dbraw/zinc/60/04/07/1055600407.db2.gz VLZBBKSSPSXMDG-IBGZPJMESA-N 1 2 312.457 4.381 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238071076 1055600415 /nfs/dbraw/zinc/60/04/15/1055600415.db2.gz VLZBBKSSPSXMDG-IBGZPJMESA-N 1 2 312.457 4.381 20 30 DIEDLO CC(C)c1cc(Br)cc(C[NH+]2CCC(C#N)CC2)c1 ZINC001238416005 1055653892 /nfs/dbraw/zinc/65/38/92/1055653892.db2.gz CINFXMOGEVIHMQ-UHFFFAOYSA-N 1 2 321.262 4.308 20 30 DIEDLO C=CC1(CC(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)CCCCC1 ZINC001595995321 1055658730 /nfs/dbraw/zinc/65/87/30/1055658730.db2.gz FXITWHWUOCKBNC-INIZCTEOSA-N 1 2 315.461 4.217 20 30 DIEDLO C#CC1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2F)CC1 ZINC001238496355 1055673416 /nfs/dbraw/zinc/67/34/16/1055673416.db2.gz USSKYEIRGXQUMM-UHFFFAOYSA-N 1 2 319.729 4.343 20 30 DIEDLO C=CCC[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001596909536 1055758988 /nfs/dbraw/zinc/75/89/88/1055758988.db2.gz BUFOHPOXMJFHQJ-INIZCTEOSA-N 1 2 305.381 4.000 20 30 DIEDLO Cc1[nH+]c(-c2ccc(C(F)(F)F)cc2C#N)cc2[nH]ccc21 ZINC001238838961 1055761255 /nfs/dbraw/zinc/76/12/55/1055761255.db2.gz AVSOQEWJGCXLBB-UHFFFAOYSA-N 1 2 301.271 4.429 20 30 DIEDLO CCCCCCC[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001597031310 1055776926 /nfs/dbraw/zinc/77/69/26/1055776926.db2.gz JJRXVZNHTHQIDM-HNNXBMFYSA-N 1 2 307.482 4.039 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)c(F)c1 ZINC000139924715 1055827268 /nfs/dbraw/zinc/82/72/68/1055827268.db2.gz ZOWLOCQGCUKUKL-UHFFFAOYSA-N 1 2 320.367 4.493 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)c(F)c1 ZINC000139924715 1055827274 /nfs/dbraw/zinc/82/72/74/1055827274.db2.gz ZOWLOCQGCUKUKL-UHFFFAOYSA-N 1 2 320.367 4.493 20 30 DIEDLO C=C(CC(C)C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001568236767 1055832610 /nfs/dbraw/zinc/83/26/10/1055832610.db2.gz ZETRAKJYFKTBHU-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001620603728 1055975533 /nfs/dbraw/zinc/97/55/33/1055975533.db2.gz PLKVVRAFCFQXQD-NSHDSACASA-N 1 2 303.755 4.424 20 30 DIEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001620603728 1055975539 /nfs/dbraw/zinc/97/55/39/1055975539.db2.gz PLKVVRAFCFQXQD-NSHDSACASA-N 1 2 303.755 4.424 20 30 DIEDLO CC(C)Oc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001239960164 1056198214 /nfs/dbraw/zinc/19/82/14/1056198214.db2.gz QJDLWAWLMFMOPJ-FYJGNVAPSA-N 1 2 307.397 4.234 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(F)cc3[nH]ccc32)cc1C#N ZINC001240036678 1056272285 /nfs/dbraw/zinc/27/22/85/1056272285.db2.gz LTVOMBRBGBIELJ-SSDVNMTOSA-N 1 2 306.344 4.067 20 30 DIEDLO C#CC[N@H+](Cc1nsc2ccccc21)[C@H]1CCc2ccccc21 ZINC001615264973 1056483981 /nfs/dbraw/zinc/48/39/81/1056483981.db2.gz KECLAIACRIQXEN-IBGZPJMESA-N 1 2 318.445 4.419 20 30 DIEDLO C#CC[N@@H+](Cc1nsc2ccccc21)[C@H]1CCc2ccccc21 ZINC001615264973 1056483985 /nfs/dbraw/zinc/48/39/85/1056483985.db2.gz KECLAIACRIQXEN-IBGZPJMESA-N 1 2 318.445 4.419 20 30 DIEDLO Cc1cc([NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1N1CCSCC1 ZINC000765922064 1056485706 /nfs/dbraw/zinc/48/57/06/1056485706.db2.gz XYXCCJPHBINJHH-CVEARBPZSA-N 1 2 315.486 4.043 20 30 DIEDLO C[NH+](C)Cc1c(F)cc(-c2ccc(Cl)c(C#N)c2)cc1F ZINC001240404030 1056486263 /nfs/dbraw/zinc/48/62/63/1056486263.db2.gz CLQIIKIYOPLXNS-UHFFFAOYSA-N 1 2 306.743 4.218 20 30 DIEDLO N#CCc1ccc(C(F)(F)F)cc1-c1ccn2cc[nH+]c2c1 ZINC001240512661 1056546165 /nfs/dbraw/zinc/54/61/65/1056546165.db2.gz WRIYZDOZAXDDQZ-UHFFFAOYSA-N 1 2 301.271 4.086 20 30 DIEDLO C=CCCC[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715768609 1056969838 /nfs/dbraw/zinc/96/98/38/1056969838.db2.gz FLFKUTXBNXRQKJ-JTQLQIEISA-N 1 2 316.214 4.128 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)s1 ZINC000131061380 1057018180 /nfs/dbraw/zinc/01/81/80/1057018180.db2.gz IEUVPZGBHHQRPP-UHFFFAOYSA-N 1 2 324.405 4.121 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)s1 ZINC000131061380 1057018188 /nfs/dbraw/zinc/01/81/88/1057018188.db2.gz IEUVPZGBHHQRPP-UHFFFAOYSA-N 1 2 324.405 4.121 20 30 DIEDLO N#Cc1csc(C[N@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000162216345 1057121830 /nfs/dbraw/zinc/12/18/30/1057121830.db2.gz AJCCXFQBNZOZKK-UHFFFAOYSA-N 1 2 308.406 4.415 20 30 DIEDLO N#Cc1csc(C[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000162216345 1057121833 /nfs/dbraw/zinc/12/18/33/1057121833.db2.gz AJCCXFQBNZOZKK-UHFFFAOYSA-N 1 2 308.406 4.415 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(OC(F)F)cc2)cc1C#N ZINC001242441764 1057368735 /nfs/dbraw/zinc/36/87/35/1057368735.db2.gz MVADHKCRAWRARD-SRZZPIQSSA-N 1 2 315.323 4.048 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000707988109 1057499904 /nfs/dbraw/zinc/49/99/04/1057499904.db2.gz VWWLPRPRMXHVAR-UHFFFAOYSA-N 1 2 307.235 4.095 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1Cc2ccc(Br)cc2C1 ZINC000707988109 1057499908 /nfs/dbraw/zinc/49/99/08/1057499908.db2.gz VWWLPRPRMXHVAR-UHFFFAOYSA-N 1 2 307.235 4.095 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnc(-c2cccs2)o1 ZINC000611387907 1057594311 /nfs/dbraw/zinc/59/43/11/1057594311.db2.gz HPRZCNHKYNOVPG-RYUDHWBXSA-N 1 2 324.409 4.082 20 30 DIEDLO CCCCCCCCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727938599 1057680618 /nfs/dbraw/zinc/68/06/18/1057680618.db2.gz WKTAHELUBNAVPX-MRXNPFEDSA-N 1 2 320.481 4.049 20 30 DIEDLO C=C1CC[NH+](Cc2cc(=O)oc3cc(CC)c(Cl)cc23)CC1 ZINC000731033202 1057733142 /nfs/dbraw/zinc/73/31/42/1057733142.db2.gz XIPNLZQJYGKJMA-UHFFFAOYSA-N 1 2 317.816 4.161 20 30 DIEDLO N#Cc1c(-c2ccc(Cn3cc[nH+]c3)cc2)ccc2ncccc12 ZINC001243661417 1057747767 /nfs/dbraw/zinc/74/77/67/1057747767.db2.gz AAWJDMZGNHUMRG-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000732210906 1057769912 /nfs/dbraw/zinc/76/99/12/1057769912.db2.gz VEKVEXKCSLAEEZ-SXGZJXTBSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000732210906 1057769915 /nfs/dbraw/zinc/76/99/15/1057769915.db2.gz VEKVEXKCSLAEEZ-SXGZJXTBSA-N 1 2 324.399 4.048 20 30 DIEDLO CC(C)c1ccc(N)c(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001244225995 1057903335 /nfs/dbraw/zinc/90/33/35/1057903335.db2.gz HSISMEYVENAXCK-WSDLNYQXSA-N 1 2 306.413 4.152 20 30 DIEDLO C=C[C@@H](CC)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001519380789 1058423437 /nfs/dbraw/zinc/42/34/37/1058423437.db2.gz LYLDMZQWNJFTDL-LBPRGKRZSA-N 1 2 303.793 4.067 20 30 DIEDLO Cc1cc(C)c(CNc2cc(C(F)(F)F)c(F)cc2C#N)c[nH+]1 ZINC001559212886 1059090732 /nfs/dbraw/zinc/09/07/32/1059090732.db2.gz YJEAEYKLMYKLRW-UHFFFAOYSA-N 1 2 323.293 4.340 20 30 DIEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1F ZINC001559489133 1059265055 /nfs/dbraw/zinc/26/50/55/1059265055.db2.gz GMXJRYDTWHLFQG-UHFFFAOYSA-N 1 2 321.317 4.328 20 30 DIEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1F ZINC001559489133 1059265066 /nfs/dbraw/zinc/26/50/66/1059265066.db2.gz GMXJRYDTWHLFQG-UHFFFAOYSA-N 1 2 321.317 4.328 20 30 DIEDLO C=CC[N@H+](Cc1nsc2ccccc21)Cc1ccc(OC)cc1 ZINC001559493058 1059271901 /nfs/dbraw/zinc/27/19/01/1059271901.db2.gz NGPDMXLEAHSRFF-UHFFFAOYSA-N 1 2 324.449 4.493 20 30 DIEDLO C=CC[N@@H+](Cc1nsc2ccccc21)Cc1ccc(OC)cc1 ZINC001559493058 1059271921 /nfs/dbraw/zinc/27/19/21/1059271921.db2.gz NGPDMXLEAHSRFF-UHFFFAOYSA-N 1 2 324.449 4.493 20 30 DIEDLO CCCCCCCCNC(=S)Nc1cccc2[nH+]c(C)cn21 ZINC001247122941 1059308174 /nfs/dbraw/zinc/30/81/74/1059308174.db2.gz MECZQSRTEFYEOS-UHFFFAOYSA-N 1 2 318.490 4.290 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1cc(F)ccc1F ZINC001559513498 1059308207 /nfs/dbraw/zinc/30/82/07/1059308207.db2.gz AZLDBWCKYLVAIX-CYBMUJFWSA-N 1 2 303.327 4.300 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1cc(F)ccc1F ZINC001559513498 1059308228 /nfs/dbraw/zinc/30/82/28/1059308228.db2.gz AZLDBWCKYLVAIX-CYBMUJFWSA-N 1 2 303.327 4.300 20 30 DIEDLO C=CCCCCCN1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC001559552520 1059362554 /nfs/dbraw/zinc/36/25/54/1059362554.db2.gz DXPSCZMQVFNBFZ-UHFFFAOYSA-N 1 2 306.519 4.175 20 30 DIEDLO Cc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)cc1C#N ZINC001559650487 1059480334 /nfs/dbraw/zinc/48/03/34/1059480334.db2.gz GBULKOFJMKPGST-ZDUSSCGKSA-N 1 2 312.363 4.264 20 30 DIEDLO Cc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)cc1C#N ZINC001559650487 1059480344 /nfs/dbraw/zinc/48/03/44/1059480344.db2.gz GBULKOFJMKPGST-ZDUSSCGKSA-N 1 2 312.363 4.264 20 30 DIEDLO C[C@H](CCSc1ccccc1)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC001559960089 1059770435 /nfs/dbraw/zinc/77/04/35/1059770435.db2.gz JIIHBRBIKZXKIQ-OAHLLOKOSA-N 1 2 308.450 4.445 20 30 DIEDLO C[C@H](CCSc1ccccc1)[N@H+]1Cc2cccc(C#N)c2C1 ZINC001559960089 1059770454 /nfs/dbraw/zinc/77/04/54/1059770454.db2.gz JIIHBRBIKZXKIQ-OAHLLOKOSA-N 1 2 308.450 4.445 20 30 DIEDLO N#C[C@H]1CCC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001560130500 1059936424 /nfs/dbraw/zinc/93/64/24/1059936424.db2.gz RJCGGKXPWXVLOQ-QGZVFWFLSA-N 1 2 322.408 4.093 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001560130500 1059936443 /nfs/dbraw/zinc/93/64/43/1059936443.db2.gz RJCGGKXPWXVLOQ-QGZVFWFLSA-N 1 2 322.408 4.093 20 30 DIEDLO C=CC[C@@H]1CC[N@H+]1Cc1cccc(Br)c1Cl ZINC001560205769 1059985049 /nfs/dbraw/zinc/98/50/49/1059985049.db2.gz HHLNLOZZSYHAGY-LLVKDONJSA-N 1 2 300.627 4.253 20 30 DIEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cccc(Br)c1Cl ZINC001560205769 1059985067 /nfs/dbraw/zinc/98/50/67/1059985067.db2.gz HHLNLOZZSYHAGY-LLVKDONJSA-N 1 2 300.627 4.253 20 30 DIEDLO CCCC[N@H+](Cc1c(C)oc(C)c1C)Cc1ccncc1C#N ZINC001560164378 1059955815 /nfs/dbraw/zinc/95/58/15/1059955815.db2.gz USLBKDNYUMWLNR-UHFFFAOYSA-N 1 2 311.429 4.274 20 30 DIEDLO CCCC[N@@H+](Cc1c(C)oc(C)c1C)Cc1ccncc1C#N ZINC001560164378 1059955833 /nfs/dbraw/zinc/95/58/33/1059955833.db2.gz USLBKDNYUMWLNR-UHFFFAOYSA-N 1 2 311.429 4.274 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(F)c2cc[nH]c21 ZINC001248814272 1059993496 /nfs/dbraw/zinc/99/34/96/1059993496.db2.gz GPVMTEKOVLNGDU-UHFFFAOYSA-N 1 2 307.372 4.223 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c2cc[nH]c21 ZINC001248814272 1059993520 /nfs/dbraw/zinc/99/35/20/1059993520.db2.gz GPVMTEKOVLNGDU-UHFFFAOYSA-N 1 2 307.372 4.223 20 30 DIEDLO Cc1cc(C)c2c(c1)CC[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001560241357 1060004776 /nfs/dbraw/zinc/00/47/76/1060004776.db2.gz IXGXCLUUTIOPTF-UHFFFAOYSA-N 1 2 310.828 4.387 20 30 DIEDLO Cc1cc(C)c2c(c1)CC[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001560241357 1060004796 /nfs/dbraw/zinc/00/47/96/1060004796.db2.gz IXGXCLUUTIOPTF-UHFFFAOYSA-N 1 2 310.828 4.387 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1F ZINC001249694093 1060353607 /nfs/dbraw/zinc/35/36/07/1060353607.db2.gz WBZOIWWUGUKEAF-QGZVFWFLSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1F ZINC001249694093 1060353624 /nfs/dbraw/zinc/35/36/24/1060353624.db2.gz WBZOIWWUGUKEAF-QGZVFWFLSA-N 1 2 316.326 4.313 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)Cc1c(F)ccc(F)c1Cl ZINC001560709608 1060566659 /nfs/dbraw/zinc/56/66/59/1060566659.db2.gz NPVYSCGDMULFPU-UHFFFAOYSA-N 1 2 311.759 4.442 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)Cc1c(F)ccc(F)c1Cl ZINC001560709608 1060566679 /nfs/dbraw/zinc/56/66/79/1060566679.db2.gz NPVYSCGDMULFPU-UHFFFAOYSA-N 1 2 311.759 4.442 20 30 DIEDLO C#CC[N@H+](Cc1ccccc1)Cc1cccc(OC2CC2)c1F ZINC001462216129 1061031822 /nfs/dbraw/zinc/03/18/22/1061031822.db2.gz OYHNGFJHXMFEIT-UHFFFAOYSA-N 1 2 309.384 4.002 20 30 DIEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(OC2CC2)c1F ZINC001462216129 1061031832 /nfs/dbraw/zinc/03/18/32/1061031832.db2.gz OYHNGFJHXMFEIT-UHFFFAOYSA-N 1 2 309.384 4.002 20 30 DIEDLO C#Cc1ccc(C[N@H+](C)Cc2cscc2Br)cc1 ZINC001462547891 1061253699 /nfs/dbraw/zinc/25/36/99/1061253699.db2.gz RTBSAMVHNFXVCL-UHFFFAOYSA-N 1 2 320.255 4.124 20 30 DIEDLO C#Cc1ccc(C[N@@H+](C)Cc2cscc2Br)cc1 ZINC001462547891 1061253720 /nfs/dbraw/zinc/25/37/20/1061253720.db2.gz RTBSAMVHNFXVCL-UHFFFAOYSA-N 1 2 320.255 4.124 20 30 DIEDLO C=CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OCC)c2cccc(Cl)c2)C1 ZINC001473626963 1061300982 /nfs/dbraw/zinc/30/09/82/1061300982.db2.gz AXHKPIPPEQLSES-RHSMWYFYSA-N 1 2 321.848 4.232 20 30 DIEDLO C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)OCC)c2cccc(Cl)c2)C1 ZINC001473626963 1061300995 /nfs/dbraw/zinc/30/09/95/1061300995.db2.gz AXHKPIPPEQLSES-RHSMWYFYSA-N 1 2 321.848 4.232 20 30 DIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc(Cl)ccc1F)C2 ZINC001473690905 1061350418 /nfs/dbraw/zinc/35/04/18/1061350418.db2.gz OZYZASCUDYIVNU-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(Cl)ccc1F)C2 ZINC001473690905 1061350438 /nfs/dbraw/zinc/35/04/38/1061350438.db2.gz OZYZASCUDYIVNU-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO C=CCCCCCC[C@@H](O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001253242576 1061842068 /nfs/dbraw/zinc/84/20/68/1061842068.db2.gz NJMBSTCNGOKGNU-LJQANCHMSA-N 1 2 313.445 4.172 20 30 DIEDLO C=CCCCCCC[C@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001253244836 1061844249 /nfs/dbraw/zinc/84/42/49/1061844249.db2.gz SPAJSZASAHLJOE-SFHVURJKSA-N 1 2 313.445 4.376 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(F)c(OC)cc1OC ZINC001474411884 1062079593 /nfs/dbraw/zinc/07/95/93/1062079593.db2.gz SQHJKSDFIRNTBJ-UHFFFAOYSA-N 1 2 321.417 4.093 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(F)c(OC)cc1OC ZINC001474411884 1062079617 /nfs/dbraw/zinc/07/96/17/1062079617.db2.gz SQHJKSDFIRNTBJ-UHFFFAOYSA-N 1 2 321.417 4.093 20 30 DIEDLO CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001254493026 1062134645 /nfs/dbraw/zinc/13/46/45/1062134645.db2.gz IVOAYPWGVXPQBQ-QZTJIDSGSA-N 1 2 315.482 4.062 20 30 DIEDLO CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001254493026 1062134672 /nfs/dbraw/zinc/13/46/72/1062134672.db2.gz IVOAYPWGVXPQBQ-QZTJIDSGSA-N 1 2 315.482 4.062 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C)c1F ZINC001474518663 1062203187 /nfs/dbraw/zinc/20/31/87/1062203187.db2.gz LGBWGYNHMPVTLS-UHFFFAOYSA-N 1 2 315.436 4.490 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C)c1F ZINC001474518663 1062203207 /nfs/dbraw/zinc/20/32/07/1062203207.db2.gz LGBWGYNHMPVTLS-UHFFFAOYSA-N 1 2 315.436 4.490 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc2ccccc2cc1OC)c1ccc(F)cc1 ZINC001474544975 1062240709 /nfs/dbraw/zinc/24/07/09/1062240709.db2.gz ZHBUSLLXMBWDPY-HXUWFJFHSA-N 1 2 319.379 4.452 20 30 DIEDLO C=CC[N@@H+](CCC#N)CCCOc1cccc(C(C)(C)C)c1 ZINC001460149031 1062666371 /nfs/dbraw/zinc/66/63/71/1062666371.db2.gz DMFMOEXWQVCUOR-UHFFFAOYSA-N 1 2 300.446 4.155 20 30 DIEDLO C=CC[N@H+](CCC#N)CCCOc1cccc(C(C)(C)C)c1 ZINC001460149031 1062666382 /nfs/dbraw/zinc/66/63/82/1062666382.db2.gz DMFMOEXWQVCUOR-UHFFFAOYSA-N 1 2 300.446 4.155 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256460445 1062829926 /nfs/dbraw/zinc/82/99/26/1062829926.db2.gz CXAJCPDSKGROKM-HIFRSBDPSA-N 1 2 322.424 4.061 20 30 DIEDLO C=CCCC[C@@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001461005170 1063181355 /nfs/dbraw/zinc/18/13/55/1063181355.db2.gz CDGPTHPJPXGFSP-HXUWFJFHSA-N 1 2 322.452 4.455 20 30 DIEDLO COc1ccc(CC[C@H](C)[NH2+]C2(C#N)CCCCCC2)cc1 ZINC001258388540 1063630408 /nfs/dbraw/zinc/63/04/08/1063630408.db2.gz CEBUXEFFSKGWJS-INIZCTEOSA-N 1 2 300.446 4.222 20 30 DIEDLO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258709592 1063766634 /nfs/dbraw/zinc/76/66/34/1063766634.db2.gz LTMYLQVQTGWBRB-ROUUACIJSA-N 1 2 315.482 4.062 20 30 DIEDLO CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258709592 1063766646 /nfs/dbraw/zinc/76/66/46/1063766646.db2.gz LTMYLQVQTGWBRB-ROUUACIJSA-N 1 2 315.482 4.062 20 30 DIEDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000615226261 1064247945 /nfs/dbraw/zinc/24/79/45/1064247945.db2.gz ULJDIVTZQVKLGJ-ZDUSSCGKSA-N 1 2 312.800 4.167 20 30 DIEDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000615226261 1064247947 /nfs/dbraw/zinc/24/79/47/1064247947.db2.gz ULJDIVTZQVKLGJ-ZDUSSCGKSA-N 1 2 312.800 4.167 20 30 DIEDLO C=CCCC[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001288364299 1064535252 /nfs/dbraw/zinc/53/52/52/1064535252.db2.gz LDAHOWQNDIRMGV-QGZVFWFLSA-N 1 2 319.408 4.162 20 30 DIEDLO CCCN(Cc1ccc(C#N)cc1)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001306997025 1065243279 /nfs/dbraw/zinc/24/32/79/1065243279.db2.gz KWBVODHFRWKBFN-UHFFFAOYSA-N 1 2 320.440 4.341 20 30 DIEDLO CC[C@@]1(C)CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001307494509 1065436859 /nfs/dbraw/zinc/43/68/59/1065436859.db2.gz UKUAYYFKWDFCIU-INIZCTEOSA-N 1 2 321.262 4.333 20 30 DIEDLO CC[C@@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001307494509 1065436863 /nfs/dbraw/zinc/43/68/63/1065436863.db2.gz UKUAYYFKWDFCIU-INIZCTEOSA-N 1 2 321.262 4.333 20 30 DIEDLO Cc1cccc(C[N@H+](Cc2ccco2)Cc2cc(C#N)ccn2)c1 ZINC001307534804 1065469178 /nfs/dbraw/zinc/46/91/78/1065469178.db2.gz GWQFVAKXRASROX-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Cc1cccc(C[N@@H+](Cc2ccco2)Cc2cc(C#N)ccn2)c1 ZINC001307534804 1065469187 /nfs/dbraw/zinc/46/91/87/1065469187.db2.gz GWQFVAKXRASROX-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO CCSCc1cc[nH+]c(NCc2c(C)cc(C#N)cc2C)c1 ZINC001308332439 1065919547 /nfs/dbraw/zinc/91/95/47/1065919547.db2.gz SRSUWEZGANIJAQ-UHFFFAOYSA-N 1 2 311.454 4.435 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cn(C)nc1C1CCCC1 ZINC001308590006 1066103542 /nfs/dbraw/zinc/10/35/42/1066103542.db2.gz ZPDKBJDXKHCPJL-UHFFFAOYSA-N 1 2 316.493 4.230 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cn(C)nc1C1CCCC1 ZINC001308590006 1066103545 /nfs/dbraw/zinc/10/35/45/1066103545.db2.gz ZPDKBJDXKHCPJL-UHFFFAOYSA-N 1 2 316.493 4.230 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cs1 ZINC001308624235 1066123094 /nfs/dbraw/zinc/12/30/94/1066123094.db2.gz OWWUZQVNLWTLIJ-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cs1 ZINC001308624235 1066123097 /nfs/dbraw/zinc/12/30/97/1066123097.db2.gz OWWUZQVNLWTLIJ-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO C=CCC[C@H](CCC)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001308730228 1066205975 /nfs/dbraw/zinc/20/59/75/1066205975.db2.gz FDGJPOYIRQOHSS-ULQDDVLXSA-N 1 2 317.477 4.242 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H](C)C[C@@H](C)CC(C)C)C(=O)OCC ZINC001308901200 1066380008 /nfs/dbraw/zinc/38/00/08/1066380008.db2.gz QNAMBIVPSPRSOT-QEJZJMRPSA-N 1 2 303.874 4.111 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H](C)C[C@H](C)CC(C)C)C(=O)OCC ZINC001308901201 1066380322 /nfs/dbraw/zinc/38/03/22/1066380322.db2.gz QNAMBIVPSPRSOT-SNPRPXQTSA-N 1 2 303.874 4.111 20 30 DIEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000287234438 335041855 /nfs/dbraw/zinc/04/18/55/335041855.db2.gz YJEDHULKUQIVME-NUTKFTJISA-N 1 2 309.837 4.068 20 30 DIEDLO C=CCC[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccco1 ZINC000287452200 335046285 /nfs/dbraw/zinc/04/62/85/335046285.db2.gz LKPKGSDNOYEADL-IBGZPJMESA-N 1 2 321.424 4.322 20 30 DIEDLO C=C(C)C[C@H](C)c1nc(Cn2c(CC)[nH+]c3ccccc32)no1 ZINC000289644876 335062360 /nfs/dbraw/zinc/06/23/60/335062360.db2.gz JRILFKAXZWJFLT-ZDUSSCGKSA-N 1 2 310.401 4.100 20 30 DIEDLO CC#CCCCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425563157 335090867 /nfs/dbraw/zinc/09/08/67/335090867.db2.gz DCGPIVOBSDYHIM-UHFFFAOYSA-N 1 2 321.424 4.019 20 30 DIEDLO Cc1ccc(C#N)c(Nc2ccc(Nc3ccccc3)[nH+]c2)n1 ZINC000557568617 331800130 /nfs/dbraw/zinc/80/01/30/331800130.db2.gz KHNMVMPDZJMBIQ-UHFFFAOYSA-N 1 2 301.353 4.144 20 30 DIEDLO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H](C#N)CCC#N ZINC000568976884 331815418 /nfs/dbraw/zinc/81/54/18/331815418.db2.gz IWCFYCGRFVFUNY-HIFRSBDPSA-N 1 2 309.335 4.022 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3c(F)cccc3Cl)CC2)c1 ZINC000560172645 332316959 /nfs/dbraw/zinc/31/69/59/332316959.db2.gz ASKHXJLBNXPEIL-UHFFFAOYSA-N 1 2 300.764 4.130 20 30 DIEDLO N#Cc1ccc(SCc2cn3cc(Cl)ccc3[nH+]2)c(F)c1 ZINC000525630041 332346188 /nfs/dbraw/zinc/34/61/88/332346188.db2.gz WGAPPILHKUKWFJ-UHFFFAOYSA-N 1 2 317.776 4.291 20 30 DIEDLO Cc1cc(C)c(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)cc1C ZINC000171538697 333050420 /nfs/dbraw/zinc/05/04/20/333050420.db2.gz XNMHEVXNTLULPH-SNAWJCMRSA-N 1 2 322.330 4.267 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185588827 333210074 /nfs/dbraw/zinc/21/00/74/333210074.db2.gz MFXXEXQXAVFLCU-MRXNPFEDSA-N 1 2 306.837 4.043 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185588827 333210076 /nfs/dbraw/zinc/21/00/76/333210076.db2.gz MFXXEXQXAVFLCU-MRXNPFEDSA-N 1 2 306.837 4.043 20 30 DIEDLO N#CC[C@@H]1CC[C@H](Nc2[nH+]cccc2OCc2ccccc2)C1 ZINC000582103437 333226633 /nfs/dbraw/zinc/22/66/33/333226633.db2.gz WHKQLXPPJOKKQD-RDJZCZTQSA-N 1 2 307.397 4.155 20 30 DIEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187801995 333238184 /nfs/dbraw/zinc/23/81/84/333238184.db2.gz VHIMIOARNZTQFY-MLGOLLRUSA-N 1 2 316.351 4.366 20 30 DIEDLO Cc1cc([NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1OC1CCOCC1 ZINC000193264775 333300881 /nfs/dbraw/zinc/30/08/81/333300881.db2.gz ZDKUFLNUBOXYOM-CVEARBPZSA-N 1 2 314.429 4.047 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc2nccn21 ZINC000540507658 333330211 /nfs/dbraw/zinc/33/02/11/333330211.db2.gz CLBUXPKPKSLQFT-UHFFFAOYSA-N 1 2 317.845 4.237 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc2nccn21 ZINC000540507658 333330213 /nfs/dbraw/zinc/33/02/13/333330213.db2.gz CLBUXPKPKSLQFT-UHFFFAOYSA-N 1 2 317.845 4.237 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000364859336 333332421 /nfs/dbraw/zinc/33/24/21/333332421.db2.gz LMMIONDNIZRODV-ZWKOTPCHSA-N 1 2 311.816 4.007 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000364859336 333332422 /nfs/dbraw/zinc/33/24/22/333332422.db2.gz LMMIONDNIZRODV-ZWKOTPCHSA-N 1 2 311.816 4.007 20 30 DIEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000531448856 333354265 /nfs/dbraw/zinc/35/42/65/333354265.db2.gz XHBLSNFCWAOYAD-IEBWSBKVSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000531448856 333354267 /nfs/dbraw/zinc/35/42/67/333354267.db2.gz XHBLSNFCWAOYAD-IEBWSBKVSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000531448857 333354276 /nfs/dbraw/zinc/35/42/76/333354276.db2.gz XHBLSNFCWAOYAD-MJGOQNOKSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000531448857 333354277 /nfs/dbraw/zinc/35/42/77/333354277.db2.gz XHBLSNFCWAOYAD-MJGOQNOKSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cccc(C[N@H+](CCC#N)CCC(C)C)c1OC(C)C ZINC000353419301 334060562 /nfs/dbraw/zinc/06/05/62/334060562.db2.gz KZMMBBYBNACXPS-UHFFFAOYSA-N 1 2 318.461 4.244 20 30 DIEDLO COc1cccc(C[N@@H+](CCC#N)CCC(C)C)c1OC(C)C ZINC000353419301 334060564 /nfs/dbraw/zinc/06/05/64/334060564.db2.gz KZMMBBYBNACXPS-UHFFFAOYSA-N 1 2 318.461 4.244 20 30 DIEDLO CC[N@H+](CCCC1(C#N)CCOCC1)c1cc(C)ccc1C ZINC000281953636 334129966 /nfs/dbraw/zinc/12/99/66/334129966.db2.gz JWCAAFIZCNTPGX-UHFFFAOYSA-N 1 2 300.446 4.230 20 30 DIEDLO CC[N@@H+](CCCC1(C#N)CCOCC1)c1cc(C)ccc1C ZINC000281953636 334129968 /nfs/dbraw/zinc/12/99/68/334129968.db2.gz JWCAAFIZCNTPGX-UHFFFAOYSA-N 1 2 300.446 4.230 20 30 DIEDLO N#CC1(c2ccccc2)CCC([NH2+][C@H](C2CC2)C(F)(F)F)CC1 ZINC000287275891 334156981 /nfs/dbraw/zinc/15/69/81/334156981.db2.gz JITJZPBUQRJOER-AQFXKWCLSA-N 1 2 322.374 4.321 20 30 DIEDLO Cc1cc[nH+]c(C)c1NC(=O)Nc1cccc(OCCCC#N)c1 ZINC000287494794 334157914 /nfs/dbraw/zinc/15/79/14/334157914.db2.gz LATSXHMSDXTOFC-UHFFFAOYSA-N 1 2 324.384 4.025 20 30 DIEDLO CCCCCCCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000293817172 334202635 /nfs/dbraw/zinc/20/26/35/334202635.db2.gz CXBDSCKYEKYLGD-SFHVURJKSA-N 1 2 313.445 4.318 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000366725334 334424334 /nfs/dbraw/zinc/42/43/34/334424334.db2.gz WNBJHQKIAGMPLL-UHFFFAOYSA-N 1 2 315.804 4.121 20 30 DIEDLO CCS[C@@H]1CCC[C@@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331234815 334849166 /nfs/dbraw/zinc/84/91/66/334849166.db2.gz KSHYKEVLDADAMD-HUUCEWRRSA-N 1 2 321.490 4.397 20 30 DIEDLO Cc1cc(C)c(NC([O-])=[NH+]c2cc(C)c(O)c(C)c2C)c(C)[nH+]1 ZINC000331291511 334855220 /nfs/dbraw/zinc/85/52/20/334855220.db2.gz BJLGUEKQFTYXPT-UHFFFAOYSA-N 1 2 313.401 4.295 20 30 DIEDLO C=CCC[C@H]([NH2+]Cc1ccn[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000345028580 335293188 /nfs/dbraw/zinc/29/31/88/335293188.db2.gz MHLWNGWJQFAVQF-HNNXBMFYSA-N 1 2 309.335 4.226 20 30 DIEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000345096896 335298164 /nfs/dbraw/zinc/29/81/64/335298164.db2.gz MPBQVERTQKGOIG-ZDUSSCGKSA-N 1 2 319.383 4.298 20 30 DIEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000345096896 335298165 /nfs/dbraw/zinc/29/81/65/335298165.db2.gz MPBQVERTQKGOIG-ZDUSSCGKSA-N 1 2 319.383 4.298 20 30 DIEDLO Cc1ccc(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)cc1 ZINC000345763764 335352578 /nfs/dbraw/zinc/35/25/78/335352578.db2.gz WRCCTXVYKFADJS-UHFFFAOYSA-N 1 2 324.399 4.049 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(Oc2ccccc2)nn1 ZINC000346278025 335391866 /nfs/dbraw/zinc/39/18/66/335391866.db2.gz NVTNZXYSQQROBY-UHFFFAOYSA-N 1 2 324.428 4.031 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(Oc2ccccc2)nn1 ZINC000346278025 335391867 /nfs/dbraw/zinc/39/18/67/335391867.db2.gz NVTNZXYSQQROBY-UHFFFAOYSA-N 1 2 324.428 4.031 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1conc1Cc1ccccc1 ZINC000351398699 336032030 /nfs/dbraw/zinc/03/20/30/336032030.db2.gz OJVVXZLPLHDAOB-UHFFFAOYSA-N 1 2 311.429 4.027 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1conc1Cc1ccccc1 ZINC000351398699 336032032 /nfs/dbraw/zinc/03/20/32/336032032.db2.gz OJVVXZLPLHDAOB-UHFFFAOYSA-N 1 2 311.429 4.027 20 30 DIEDLO C=CCN(CC1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000351603944 336049109 /nfs/dbraw/zinc/04/91/09/336049109.db2.gz XQXHCKMFNLHAJX-UHFFFAOYSA-N 1 2 323.440 4.081 20 30 DIEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000332144304 336160286 /nfs/dbraw/zinc/16/02/86/336160286.db2.gz FTEKSTHYVSYQEV-CORIIIEPSA-N 1 2 315.804 4.338 20 30 DIEDLO N#Cc1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000301173241 336293286 /nfs/dbraw/zinc/29/32/86/336293286.db2.gz KXMJZENVILAHKW-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO N#Cc1c(F)cccc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000301183377 336293723 /nfs/dbraw/zinc/29/37/23/336293723.db2.gz ITYJDLNTLFKWGU-UHFFFAOYSA-N 1 2 324.403 4.085 20 30 DIEDLO N#Cc1cc(Cl)ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301216799 336295438 /nfs/dbraw/zinc/29/54/38/336295438.db2.gz YVJOJAXSVPXPJG-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO N#Cc1cc(Cl)ccc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000301522811 336312242 /nfs/dbraw/zinc/31/22/42/336312242.db2.gz GIUKGIOLEMOMSS-UHFFFAOYSA-N 1 2 310.788 4.133 20 30 DIEDLO C=CCOc1ccccc1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000301546023 336313827 /nfs/dbraw/zinc/31/38/27/336313827.db2.gz WTOMERHLDCAELR-UHFFFAOYSA-N 1 2 308.303 4.277 20 30 DIEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(C(F)(F)F)cc1C#N ZINC000301783212 336329582 /nfs/dbraw/zinc/32/95/82/336329582.db2.gz UBNXLVXXPXHQNP-UHFFFAOYSA-N 1 2 322.334 4.042 20 30 DIEDLO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358557628 336634533 /nfs/dbraw/zinc/63/45/33/336634533.db2.gz CEKDVYNAMKNPGH-MNOVXSKESA-N 1 2 303.406 4.128 20 30 DIEDLO N#Cc1c(Cl)cccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000359020135 336653600 /nfs/dbraw/zinc/65/36/00/336653600.db2.gz HHWLIANUQISARO-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO N#Cc1cc(Cl)ccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360355746 336709652 /nfs/dbraw/zinc/70/96/52/336709652.db2.gz RWXCVQWZZPTTAR-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373062282 336946812 /nfs/dbraw/zinc/94/68/12/336946812.db2.gz BTSIISOKUYSUCU-KRWDZBQOSA-N 1 2 319.493 4.267 20 30 DIEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000377850445 337062478 /nfs/dbraw/zinc/06/24/78/337062478.db2.gz DWPRWKIMWPWHAT-ZDUSSCGKSA-N 1 2 312.800 4.147 20 30 DIEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000377850445 337062479 /nfs/dbraw/zinc/06/24/79/337062479.db2.gz DWPRWKIMWPWHAT-ZDUSSCGKSA-N 1 2 312.800 4.147 20 30 DIEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ncc(-c2ccccc2)o1 ZINC000174265679 337140061 /nfs/dbraw/zinc/14/00/61/337140061.db2.gz LXAMZTDYVIVCCW-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO N#CCC[N@@H+](Cc1cc(Cl)ccc1OC(F)F)CC1CC1 ZINC000176252536 337149903 /nfs/dbraw/zinc/14/99/03/337149903.db2.gz HVAWSCWEYMNOTN-UHFFFAOYSA-N 1 2 314.763 4.067 20 30 DIEDLO N#CCC[N@H+](Cc1cc(Cl)ccc1OC(F)F)CC1CC1 ZINC000176252536 337149904 /nfs/dbraw/zinc/14/99/04/337149904.db2.gz HVAWSCWEYMNOTN-UHFFFAOYSA-N 1 2 314.763 4.067 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1F ZINC000190370861 337287127 /nfs/dbraw/zinc/28/71/27/337287127.db2.gz YBIOXQCFHBMPNC-QGZVFWFLSA-N 1 2 323.396 4.033 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000584556839 337360920 /nfs/dbraw/zinc/36/09/20/337360920.db2.gz XPFKYJHAOIGMED-KDOFPFPSSA-N 1 2 315.413 4.067 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000584556839 337360921 /nfs/dbraw/zinc/36/09/21/337360921.db2.gz XPFKYJHAOIGMED-KDOFPFPSSA-N 1 2 315.413 4.067 20 30 DIEDLO Fc1ccc(C#CC[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000135569801 337452359 /nfs/dbraw/zinc/45/23/59/337452359.db2.gz MQRRRAFLQJUBRD-GOSISDBHSA-N 1 2 322.408 4.013 20 30 DIEDLO C[C@H](C#N)C[NH2+]Cc1c(Cl)cccc1Oc1ccccc1 ZINC000572109553 337591098 /nfs/dbraw/zinc/59/10/98/337591098.db2.gz RXHBJQZJKQYGSW-CYBMUJFWSA-N 1 2 300.789 4.382 20 30 DIEDLO C[C@@H](C#N)C[NH2+]Cc1c(Cl)cccc1Oc1ccccc1 ZINC000572109554 337591152 /nfs/dbraw/zinc/59/11/52/337591152.db2.gz RXHBJQZJKQYGSW-ZDUSSCGKSA-N 1 2 300.789 4.382 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000278761794 337667844 /nfs/dbraw/zinc/66/78/44/337667844.db2.gz XLVHIGAPNAIQNY-GFCCVEGCSA-N 1 2 310.344 4.016 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000091064283 337888894 /nfs/dbraw/zinc/88/88/94/337888894.db2.gz DHUANTBYOYUAFD-FQEVSTJZSA-N 1 2 316.408 4.007 20 30 DIEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(Br)c(OC)s1 ZINC000426549724 338034560 /nfs/dbraw/zinc/03/45/60/338034560.db2.gz TZCWLLJNAORCJV-JTQLQIEISA-N 1 2 316.264 4.060 20 30 DIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Br)c(OC)s1 ZINC000426549724 338034561 /nfs/dbraw/zinc/03/45/61/338034561.db2.gz TZCWLLJNAORCJV-JTQLQIEISA-N 1 2 316.264 4.060 20 30 DIEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1nc(C(C)(C)C)cs1 ZINC000428327764 338047491 /nfs/dbraw/zinc/04/74/91/338047491.db2.gz VDRNZMDSUIMWOM-LLVKDONJSA-N 1 2 317.433 4.302 20 30 DIEDLO C=CC[N@@H+](Cc1oc(C(C)C)nc1C)Cc1cccc(C#N)c1 ZINC000428464569 338053636 /nfs/dbraw/zinc/05/36/36/338053636.db2.gz VMYCLCBBMAMOCC-UHFFFAOYSA-N 1 2 309.413 4.166 20 30 DIEDLO C=CC[N@H+](Cc1oc(C(C)C)nc1C)Cc1cccc(C#N)c1 ZINC000428464569 338053637 /nfs/dbraw/zinc/05/36/37/338053637.db2.gz VMYCLCBBMAMOCC-UHFFFAOYSA-N 1 2 309.413 4.166 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000428854600 338062549 /nfs/dbraw/zinc/06/25/49/338062549.db2.gz GJQAQVVHEYYFGK-UHFFFAOYSA-N 1 2 301.393 4.127 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000428854600 338062550 /nfs/dbraw/zinc/06/25/50/338062550.db2.gz GJQAQVVHEYYFGK-UHFFFAOYSA-N 1 2 301.393 4.127 20 30 DIEDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428951852 338066352 /nfs/dbraw/zinc/06/63/52/338066352.db2.gz HEOQKYFCHKEVCN-GOSISDBHSA-N 1 2 312.388 4.289 20 30 DIEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428951852 338066353 /nfs/dbraw/zinc/06/63/53/338066353.db2.gz HEOQKYFCHKEVCN-GOSISDBHSA-N 1 2 312.388 4.289 20 30 DIEDLO N#CCCC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430241882 338102734 /nfs/dbraw/zinc/10/27/34/338102734.db2.gz QYDVAVRRPWSZHG-AWEZNQCLSA-N 1 2 311.198 4.029 20 30 DIEDLO N#CCCC[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430241882 338102735 /nfs/dbraw/zinc/10/27/35/338102735.db2.gz QYDVAVRRPWSZHG-AWEZNQCLSA-N 1 2 311.198 4.029 20 30 DIEDLO C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1ccc(C#N)cc1F ZINC000433102624 338181921 /nfs/dbraw/zinc/18/19/21/338181921.db2.gz JGXGXYZTISJDBY-SECBINFHSA-N 1 2 324.733 4.480 20 30 DIEDLO COc1cccc2c(N[C@@H](C)c3ccc(C#N)cc3)cc[nH+]c12 ZINC000436199080 338261700 /nfs/dbraw/zinc/26/17/00/338261700.db2.gz RJFKLPYUZGDVDP-ZDUSSCGKSA-N 1 2 303.365 4.288 20 30 DIEDLO CC[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000437594344 338315593 /nfs/dbraw/zinc/31/55/93/338315593.db2.gz WCEDZTGZZFXFCN-SNVBAGLBSA-N 1 2 304.743 4.340 20 30 DIEDLO CC[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000437594344 338315594 /nfs/dbraw/zinc/31/55/94/338315594.db2.gz WCEDZTGZZFXFCN-SNVBAGLBSA-N 1 2 304.743 4.340 20 30 DIEDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000439430824 338369273 /nfs/dbraw/zinc/36/92/73/338369273.db2.gz NSBZKXWKUTWGCH-LLVKDONJSA-N 1 2 318.779 4.210 20 30 DIEDLO Cc1[nH+]c2ccccc2n1CCCNc1c(Cl)cccc1C#N ZINC000462919670 339098013 /nfs/dbraw/zinc/09/80/13/339098013.db2.gz QZFYVRPCQXLMMQ-UHFFFAOYSA-N 1 2 324.815 4.372 20 30 DIEDLO C=CC[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1ccccc1F ZINC000464865861 339159172 /nfs/dbraw/zinc/15/91/72/339159172.db2.gz NUTAWQHTPYCNAL-UHFFFAOYSA-N 1 2 314.335 4.294 20 30 DIEDLO C=CC[N@H+](Cc1nc2cc(F)ccc2o1)Cc1ccccc1F ZINC000464865861 339159173 /nfs/dbraw/zinc/15/91/73/339159173.db2.gz NUTAWQHTPYCNAL-UHFFFAOYSA-N 1 2 314.335 4.294 20 30 DIEDLO CC#CCCCC(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000466438770 339205050 /nfs/dbraw/zinc/20/50/50/339205050.db2.gz PMJZJVRQEWKJBG-UHFFFAOYSA-N 1 2 323.440 4.482 20 30 DIEDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000469150401 339281481 /nfs/dbraw/zinc/28/14/81/339281481.db2.gz ZTBPATBOLWIVGV-MRXNPFEDSA-N 1 2 300.402 4.268 20 30 DIEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000469150401 339281482 /nfs/dbraw/zinc/28/14/82/339281482.db2.gz ZTBPATBOLWIVGV-MRXNPFEDSA-N 1 2 300.402 4.268 20 30 DIEDLO C=C(C)COc1cccc(NCc2ccc(N(C)CC)[nH+]c2)c1 ZINC000480302321 339568081 /nfs/dbraw/zinc/56/80/81/339568081.db2.gz SXZGQHDPXDBZSQ-UHFFFAOYSA-N 1 2 311.429 4.105 20 30 DIEDLO C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000505058586 340160358 /nfs/dbraw/zinc/16/03/58/340160358.db2.gz XKAGTIOGWPOUCE-QGZVFWFLSA-N 1 2 324.428 4.287 20 30 DIEDLO C=CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1cccs1 ZINC000506016375 340183382 /nfs/dbraw/zinc/18/33/82/340183382.db2.gz HGPFRZOKCWSXHO-UHFFFAOYSA-N 1 2 309.438 4.326 20 30 DIEDLO C=CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1cccs1 ZINC000506016375 340183383 /nfs/dbraw/zinc/18/33/83/340183383.db2.gz HGPFRZOKCWSXHO-UHFFFAOYSA-N 1 2 309.438 4.326 20 30 DIEDLO C=CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1cccs1 ZINC000506016375 340183384 /nfs/dbraw/zinc/18/33/84/340183384.db2.gz HGPFRZOKCWSXHO-UHFFFAOYSA-N 1 2 309.438 4.326 20 30 DIEDLO C=CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1cccs1 ZINC000506016375 340183385 /nfs/dbraw/zinc/18/33/85/340183385.db2.gz HGPFRZOKCWSXHO-UHFFFAOYSA-N 1 2 309.438 4.326 20 30 DIEDLO CC(C)[N@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1F ZINC000507167448 340210780 /nfs/dbraw/zinc/21/07/80/340210780.db2.gz LTPMNYYWICMELP-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC(C)[N@@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1F ZINC000507167448 340210781 /nfs/dbraw/zinc/21/07/81/340210781.db2.gz LTPMNYYWICMELP-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO N#Cc1cc(Cl)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000507607442 340225955 /nfs/dbraw/zinc/22/59/55/340225955.db2.gz QUIFPAQQOXVZOB-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000508633560 340248867 /nfs/dbraw/zinc/24/88/67/340248867.db2.gz BQRJCGGFCXCIJX-UHFFFAOYSA-N 1 2 322.383 4.196 20 30 DIEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000508633560 340248868 /nfs/dbraw/zinc/24/88/68/340248868.db2.gz BQRJCGGFCXCIJX-UHFFFAOYSA-N 1 2 322.383 4.196 20 30 DIEDLO C=C(C)CCc1noc(CCn2c(CCC)[nH+]c3ccccc32)n1 ZINC000508670484 340250113 /nfs/dbraw/zinc/25/01/13/340250113.db2.gz HPYMFVKVBOWODU-UHFFFAOYSA-N 1 2 324.428 4.123 20 30 DIEDLO CC[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C[C@@H](C)C#N ZINC000509808966 340279788 /nfs/dbraw/zinc/27/97/88/340279788.db2.gz CSBOECWLSJXOFG-INIZCTEOSA-N 1 2 324.472 4.151 20 30 DIEDLO CC[N@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C[C@@H](C)C#N ZINC000509808966 340279789 /nfs/dbraw/zinc/27/97/89/340279789.db2.gz CSBOECWLSJXOFG-INIZCTEOSA-N 1 2 324.472 4.151 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000512669203 340372245 /nfs/dbraw/zinc/37/22/45/340372245.db2.gz ZFQYVBBJIPQLBV-MNOVXSKESA-N 1 2 304.315 4.387 20 30 DIEDLO C=C(C)COc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000512814078 340378963 /nfs/dbraw/zinc/37/89/63/340378963.db2.gz KTLVHPGLVKHTQE-UHFFFAOYSA-N 1 2 323.440 4.117 20 30 DIEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000185350814 340500333 /nfs/dbraw/zinc/50/03/33/340500333.db2.gz RFWPAKRCVXGWQD-OAHLLOKOSA-N 1 2 323.440 4.427 20 30 DIEDLO C=CC[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000186797825 340516047 /nfs/dbraw/zinc/51/60/47/340516047.db2.gz WUDHZOJHJPFGDN-IBGZPJMESA-N 1 2 317.392 4.171 20 30 DIEDLO Cc1ccc2sc(/C=C/c3c[nH+]c4ccc(C#N)cn34)nc2c1 ZINC000524239296 340650618 /nfs/dbraw/zinc/65/06/18/340650618.db2.gz VLNKKYANXYWRLY-QPJJXVBHSA-N 1 2 316.389 4.295 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@H+](C)C[C@H](C)C#N)cc2)cc1 ZINC000542464786 341008133 /nfs/dbraw/zinc/00/81/33/341008133.db2.gz PHICTIRWGCFCNZ-OAHLLOKOSA-N 1 2 310.397 4.079 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@@H+](C)C[C@H](C)C#N)cc2)cc1 ZINC000542464786 341008134 /nfs/dbraw/zinc/00/81/34/341008134.db2.gz PHICTIRWGCFCNZ-OAHLLOKOSA-N 1 2 310.397 4.079 20 30 DIEDLO C=CC[C@H](C)[C@@H](C)[NH2+]c1ccc(NS(=O)(=O)CCCC)cc1 ZINC000543072239 341030525 /nfs/dbraw/zinc/03/05/25/341030525.db2.gz JRQIBVRXCGGBAZ-LSDHHAIUSA-N 1 2 324.490 4.241 20 30 DIEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4ccc(C#N)cc4)C3)[nH+]c2c1 ZINC000543438092 341044581 /nfs/dbraw/zinc/04/45/81/341044581.db2.gz ICLZFIASQKTDKW-INIZCTEOSA-N 1 2 316.408 4.127 20 30 DIEDLO Cc1c(F)cccc1-c1ccc(CNc2cc(CC#N)cc[nH+]2)o1 ZINC000545219220 341115121 /nfs/dbraw/zinc/11/51/21/341115121.db2.gz PSZISAJRIADBEO-UHFFFAOYSA-N 1 2 321.355 4.467 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2ccccc2OC2CCCC2)c1 ZINC000545927826 341146725 /nfs/dbraw/zinc/14/67/25/341146725.db2.gz FPHQPCMUEKNULN-UHFFFAOYSA-N 1 2 307.397 4.081 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2cccc(OC3CCCC3)c2)c1 ZINC000545927786 341146745 /nfs/dbraw/zinc/14/67/45/341146745.db2.gz KWKSNBNLVMBDTJ-UHFFFAOYSA-N 1 2 307.397 4.081 20 30 DIEDLO Cc1cc(CNc2[nH+]cccc2OCCCC#N)c(C)s1 ZINC000546635288 341176555 /nfs/dbraw/zinc/17/65/55/341176555.db2.gz QZIXKEANPHEMSW-UHFFFAOYSA-N 1 2 301.415 4.055 20 30 DIEDLO C=CCOc1ccc(CNc2cc(C(F)(F)F)cc[nH+]2)cc1 ZINC000546720609 341180147 /nfs/dbraw/zinc/18/01/47/341180147.db2.gz MEXNMRJYMWYTNK-UHFFFAOYSA-N 1 2 308.303 4.277 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000237916830 341222894 /nfs/dbraw/zinc/22/28/94/341222894.db2.gz SLEKNWHYDCUSAY-LJQANCHMSA-N 1 2 306.340 4.170 20 30 DIEDLO CC[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@H](C)C#N ZINC000551807619 341352361 /nfs/dbraw/zinc/35/23/61/341352361.db2.gz LABLCOTUWIWVEG-GFCCVEGCSA-N 1 2 319.861 4.445 20 30 DIEDLO CC[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@H](C)C#N ZINC000551807619 341352362 /nfs/dbraw/zinc/35/23/62/341352362.db2.gz LABLCOTUWIWVEG-GFCCVEGCSA-N 1 2 319.861 4.445 20 30 DIEDLO Cc1cc([C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)ccc1F ZINC000249280879 341395809 /nfs/dbraw/zinc/39/58/09/341395809.db2.gz NJZHGOPWVFZNKL-FOIQADDNSA-N 1 2 324.399 4.140 20 30 DIEDLO Cc1cc([C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)ccc1F ZINC000249280879 341395810 /nfs/dbraw/zinc/39/58/10/341395810.db2.gz NJZHGOPWVFZNKL-FOIQADDNSA-N 1 2 324.399 4.140 20 30 DIEDLO CCOc1ccc(CCC2CC[NH+](C(C)(C)C#N)CC2)cc1 ZINC000552852040 341406382 /nfs/dbraw/zinc/40/63/82/341406382.db2.gz FDPHAFWUAQMPSL-UHFFFAOYSA-N 1 2 300.446 4.032 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccc(C#N)cc1 ZINC000338340610 525562439 /nfs/dbraw/zinc/56/24/39/525562439.db2.gz CUVOOTUDTDFTRC-GFCCVEGCSA-N 1 2 309.394 4.126 20 30 DIEDLO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1c1ccc(CC#N)c(C)[nH+]1 ZINC001167132972 1036164282 /nfs/dbraw/zinc/16/42/82/1036164282.db2.gz QRQZXLJTQGGIJJ-MJGOQNOKSA-N 1 2 315.461 4.224 20 30 DIEDLO N#Cc1cncc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC001210084221 1036381697 /nfs/dbraw/zinc/38/16/97/1036381697.db2.gz SNYNHYIVTPCPAY-UHFFFAOYSA-N 1 2 314.270 4.264 20 30 DIEDLO C=C(C)c1cccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000890889655 1036437853 /nfs/dbraw/zinc/43/78/53/1036437853.db2.gz ZMBYAADGVUYYOF-CQSZACIVSA-N 1 2 323.318 4.048 20 30 DIEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](CCC#N)CCC(C)C ZINC001204496304 1036558266 /nfs/dbraw/zinc/55/82/66/1036558266.db2.gz FLCRSEFOSGPZLT-UHFFFAOYSA-N 1 2 324.472 4.251 20 30 DIEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](CCC#N)CCC(C)C ZINC001204496304 1036558273 /nfs/dbraw/zinc/55/82/73/1036558273.db2.gz FLCRSEFOSGPZLT-UHFFFAOYSA-N 1 2 324.472 4.251 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(Cl)s3)n2c1 ZINC000255162238 1036889490 /nfs/dbraw/zinc/88/94/90/1036889490.db2.gz XQTRSFYRHJEMCJ-ARJAWSKDSA-N 1 2 302.786 4.254 20 30 DIEDLO C[C@H](CCC#N)CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000602631064 1038059192 /nfs/dbraw/zinc/05/91/92/1038059192.db2.gz DEWFDPGBFQFERN-OAHLLOKOSA-N 1 2 308.429 4.238 20 30 DIEDLO C[C@@H](CCC#N)C[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000602638043 1038059856 /nfs/dbraw/zinc/05/98/56/1038059856.db2.gz QVQHGMYEEFNZIQ-ZDUSSCGKSA-N 1 2 301.821 4.050 20 30 DIEDLO C[C@@H](CCC#N)C[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000602638043 1038059877 /nfs/dbraw/zinc/05/98/77/1038059877.db2.gz QVQHGMYEEFNZIQ-ZDUSSCGKSA-N 1 2 301.821 4.050 20 30 DIEDLO COc1ccc(C[N@H+](C)[C@@H](C)c2c(F)cccc2F)cc1C#N ZINC000610991288 1038420336 /nfs/dbraw/zinc/42/03/36/1038420336.db2.gz CRFBRYSAIXFLTM-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccc(C[N@@H+](C)[C@@H](C)c2c(F)cccc2F)cc1C#N ZINC000610991288 1038420341 /nfs/dbraw/zinc/42/03/41/1038420341.db2.gz CRFBRYSAIXFLTM-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992582 1038423947 /nfs/dbraw/zinc/42/39/47/1038423947.db2.gz SERMNPJVZBOZSE-ZDUSSCGKSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992582 1038423952 /nfs/dbraw/zinc/42/39/52/1038423952.db2.gz SERMNPJVZBOZSE-ZDUSSCGKSA-N 1 2 311.816 4.332 20 30 DIEDLO C[N@H+](Cc1cccs1)Cc1ccc(Br)cc1C#N ZINC000381127420 1038570359 /nfs/dbraw/zinc/57/03/59/1038570359.db2.gz HHATWVMZCRVZKM-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1cccs1)Cc1ccc(Br)cc1C#N ZINC000381127420 1038570365 /nfs/dbraw/zinc/57/03/65/1038570365.db2.gz HHATWVMZCRVZKM-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000158329731 1038672699 /nfs/dbraw/zinc/67/26/99/1038672699.db2.gz WQNSBHYQMZKRFL-LLVKDONJSA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000158329731 1038672705 /nfs/dbraw/zinc/67/27/05/1038672705.db2.gz WQNSBHYQMZKRFL-LLVKDONJSA-N 1 2 304.315 4.169 20 30 DIEDLO Cc1cc(N[C@@H](CCCC#N)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000431503744 1039012960 /nfs/dbraw/zinc/01/29/60/1039012960.db2.gz XVUUOYUHTCVMAV-KRWDZBQOSA-N 1 2 308.429 4.756 20 30 DIEDLO N#Cc1oc2ccccc2c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086270 1039030222 /nfs/dbraw/zinc/03/02/22/1039030222.db2.gz LJPCCVWVSUZBJF-UHFFFAOYSA-N 1 2 300.321 4.438 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(Cl)s1 ZINC000162248304 1039081512 /nfs/dbraw/zinc/08/15/12/1039081512.db2.gz NYEVGEVTLYYLPW-UHFFFAOYSA-N 1 2 307.806 4.091 20 30 DIEDLO C=C[C@@H](CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)c1ccccc1 ZINC000535380678 1039198577 /nfs/dbraw/zinc/19/85/77/1039198577.db2.gz AUWQZIFTCLPODX-AWEZNQCLSA-N 1 2 305.381 4.170 20 30 DIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)C1CC1 ZINC000539862050 1039375074 /nfs/dbraw/zinc/37/50/74/1039375074.db2.gz MNIDPVGGCUPZBW-LBPRGKRZSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)C1CC1 ZINC000539862050 1039375085 /nfs/dbraw/zinc/37/50/85/1039375085.db2.gz MNIDPVGGCUPZBW-LBPRGKRZSA-N 1 2 316.351 4.349 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccc(F)cc1 ZINC000491316073 1039673730 /nfs/dbraw/zinc/67/37/30/1039673730.db2.gz SITADQNRSSLKJV-HNNXBMFYSA-N 1 2 302.418 4.044 20 30 DIEDLO Cc1cccc(NC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000153009989 1039692782 /nfs/dbraw/zinc/69/27/82/1039692782.db2.gz NRMLCWFUVSWKCW-UHFFFAOYSA-N 1 2 323.415 4.082 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3csc(C4CCCC4)n3)CC2)c1 ZINC000271803771 1039830995 /nfs/dbraw/zinc/83/09/95/1039830995.db2.gz PRFJVUNBJZNVBX-UHFFFAOYSA-N 1 2 323.465 4.451 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(C(C)(C)C)n1 ZINC000491424002 1039843730 /nfs/dbraw/zinc/84/37/30/1039843730.db2.gz QWTNUZNAGVVKLE-UHFFFAOYSA-N 1 2 304.459 4.264 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(C(C)(C)C)n1 ZINC000491424002 1039843755 /nfs/dbraw/zinc/84/37/55/1039843755.db2.gz QWTNUZNAGVVKLE-UHFFFAOYSA-N 1 2 304.459 4.264 20 30 DIEDLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000271925510 1039900094 /nfs/dbraw/zinc/90/00/94/1039900094.db2.gz GGVDWDNLNWHZKQ-QWRGUYRKSA-N 1 2 303.406 4.128 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(F)c(Cl)c1 ZINC000255678159 1040396510 /nfs/dbraw/zinc/39/65/10/1040396510.db2.gz JLBUPQMWGHSEDK-ALCCZGGFSA-N 1 2 300.720 4.023 20 30 DIEDLO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1Oc1cccnc1 ZINC000612406429 1040584187 /nfs/dbraw/zinc/58/41/87/1040584187.db2.gz LZXJTETZNQPADO-FQEVSTJZSA-N 1 2 321.424 4.308 20 30 DIEDLO Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1Oc1cccnc1 ZINC000612406429 1040584192 /nfs/dbraw/zinc/58/41/92/1040584192.db2.gz LZXJTETZNQPADO-FQEVSTJZSA-N 1 2 321.424 4.308 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(F)c(Cl)c1 ZINC000162255593 1040620830 /nfs/dbraw/zinc/62/08/30/1040620830.db2.gz JIQZZBINTKWZAD-UHFFFAOYSA-N 1 2 319.767 4.169 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000809566547 1041187681 /nfs/dbraw/zinc/18/76/81/1041187681.db2.gz MYSIGXSPRUVYDW-UHFFFAOYSA-N 1 2 305.208 4.024 20 30 DIEDLO C#CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000809566547 1041187690 /nfs/dbraw/zinc/18/76/90/1041187690.db2.gz MYSIGXSPRUVYDW-UHFFFAOYSA-N 1 2 305.208 4.024 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cncc2ccccc21)c1ccc(Cl)cc1F ZINC000809698683 1041216336 /nfs/dbraw/zinc/21/63/36/1041216336.db2.gz FNMKBNFOTWEIKE-LJQANCHMSA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(Cl)cc1F ZINC000809699765 1041217624 /nfs/dbraw/zinc/21/76/24/1041217624.db2.gz WIWMROXEGASMAZ-QGZVFWFLSA-N 1 2 312.775 4.425 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccnc2ccccc12)c1ccc(Cl)cc1F ZINC000809700055 1041218908 /nfs/dbraw/zinc/21/89/08/1041218908.db2.gz WSAJWVNOIVQZPC-SFHVURJKSA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)cc1F ZINC000809699566 1041219199 /nfs/dbraw/zinc/21/91/99/1041219199.db2.gz PWODACAJDALTMT-QGZVFWFLSA-N 1 2 317.791 4.266 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccc(Cl)cc1F ZINC000809698369 1041219761 /nfs/dbraw/zinc/21/97/61/1041219761.db2.gz AWVPXXSKMSUMKI-QGZVFWFLSA-N 1 2 312.775 4.425 20 30 DIEDLO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000810141164 1041319511 /nfs/dbraw/zinc/31/95/11/1041319511.db2.gz MVUJFOYSESNXAZ-LLVKDONJSA-N 1 2 311.410 4.174 20 30 DIEDLO C[NH+](C)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000810148808 1041324696 /nfs/dbraw/zinc/32/46/96/1041324696.db2.gz OFOWDZOFDIVGDJ-UHFFFAOYSA-N 1 2 319.330 4.255 20 30 DIEDLO N#CC1(C[NH2+][C@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000926873198 1041433107 /nfs/dbraw/zinc/43/31/07/1041433107.db2.gz DAOACVZUOHMHQT-MRXNPFEDSA-N 1 2 318.779 4.249 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cnc(C(C)C)s1)c1ccc(Cl)cc1 ZINC000811517605 1041530643 /nfs/dbraw/zinc/53/06/43/1041530643.db2.gz XLPRVEXFHJFCBN-OAHLLOKOSA-N 1 2 304.846 4.384 20 30 DIEDLO C#C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000811516226 1041535082 /nfs/dbraw/zinc/53/50/82/1041535082.db2.gz HAXVLSBWLWKWOV-AWEZNQCLSA-N 1 2 324.182 4.302 20 30 DIEDLO CCCCCCCC[C@@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000811933728 1041582472 /nfs/dbraw/zinc/58/24/72/1041582472.db2.gz GLHWDZOXOBKAGR-MRXNPFEDSA-N 1 2 305.466 4.002 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3csc(C(C)C)n3)n2c1 ZINC000812243762 1041606648 /nfs/dbraw/zinc/60/66/48/1041606648.db2.gz UMLOIVXFLJFMBE-AATRIKPKSA-N 1 2 311.410 4.119 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)c1ccc(F)cc1 ZINC000812793029 1041651169 /nfs/dbraw/zinc/65/11/69/1041651169.db2.gz MIEZFZZRDAZYBV-KRWDZBQOSA-N 1 2 314.429 4.404 20 30 DIEDLO C=C(Br)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814666062 1041851165 /nfs/dbraw/zinc/85/11/65/1041851165.db2.gz BSUKODIAIJMPHU-GFCCVEGCSA-N 1 2 300.627 4.038 20 30 DIEDLO C=C(Br)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814666062 1041851171 /nfs/dbraw/zinc/85/11/71/1041851171.db2.gz BSUKODIAIJMPHU-GFCCVEGCSA-N 1 2 300.627 4.038 20 30 DIEDLO CCC(=[NH+]Nc1ccccc1Br)c1cccc(N)c1 ZINC000814791575 1041866063 /nfs/dbraw/zinc/86/60/63/1041866063.db2.gz GCTOJHMTJUKFPC-UHFFFAOYSA-N 1 2 318.218 4.258 20 30 DIEDLO Cc1ccc([N+](=O)[O-])cc1N[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814824405 1041871877 /nfs/dbraw/zinc/87/18/77/1041871877.db2.gz UVIAXAFXDWRWON-LBPRGKRZSA-N 1 2 322.368 4.022 20 30 DIEDLO CCC(=[NH+]Nc1cc(F)cc(OC)c1)c1ccc(Cl)c(N)c1 ZINC000814870584 1041881632 /nfs/dbraw/zinc/88/16/32/1041881632.db2.gz IXEMIVZRDSGNSO-UHFFFAOYSA-N 1 2 321.783 4.296 20 30 DIEDLO CC(=[NH+]Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)c(N)c1 ZINC000814903183 1041886798 /nfs/dbraw/zinc/88/67/98/1041886798.db2.gz WOUGDFIHUFWREF-UHFFFAOYSA-N 1 2 319.195 4.283 20 30 DIEDLO CCC(=[NH+]Nc1ccc(F)cc1OC)c1ccc(Cl)c(N)c1 ZINC000814915967 1041894801 /nfs/dbraw/zinc/89/48/01/1041894801.db2.gz NMTAJFUMOPGYGY-UHFFFAOYSA-N 1 2 321.783 4.296 20 30 DIEDLO N#C[C@H]1CC[C@H](Nc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)CC1 ZINC001167845379 1042265719 /nfs/dbraw/zinc/26/57/19/1042265719.db2.gz PMWPQMBXKSZLEO-MGCOHNPYSA-N 1 2 308.307 4.076 20 30 DIEDLO COc1ccccc1[C@H](C)[N@H+](C)Cc1cccc(Cl)c1C#N ZINC001139692296 1042275118 /nfs/dbraw/zinc/27/51/18/1042275118.db2.gz VOBYBVZLABCUEJ-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1C#N ZINC001139692296 1042275121 /nfs/dbraw/zinc/27/51/21/1042275121.db2.gz VOBYBVZLABCUEJ-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnc(Cl)c1Cl ZINC000822525815 1042289338 /nfs/dbraw/zinc/28/93/38/1042289338.db2.gz NPRXBTSEKNCBRE-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(Cl)c1Cl ZINC000822525815 1042289341 /nfs/dbraw/zinc/28/93/41/1042289341.db2.gz NPRXBTSEKNCBRE-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO CC1(C#N)CCC([NH2+]c2ccc(N3CCSCC3)cc2)CC1 ZINC000823549954 1042334574 /nfs/dbraw/zinc/33/45/74/1042334574.db2.gz VHQZMZVKEJJWNG-UHFFFAOYSA-N 1 2 315.486 4.124 20 30 DIEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000893977068 1042399677 /nfs/dbraw/zinc/39/96/77/1042399677.db2.gz UZMWFPKOIUCKTJ-STQMWFEESA-N 1 2 304.438 4.096 20 30 DIEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000120510393 1042460691 /nfs/dbraw/zinc/46/06/91/1042460691.db2.gz PGAGPWGJOYKCNQ-NSHDSACASA-N 1 2 313.451 4.422 20 30 DIEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000120510393 1042460693 /nfs/dbraw/zinc/46/06/93/1042460693.db2.gz PGAGPWGJOYKCNQ-NSHDSACASA-N 1 2 313.451 4.422 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000614396657 1042490146 /nfs/dbraw/zinc/49/01/46/1042490146.db2.gz APPWCEAZNSBMKZ-CYBMUJFWSA-N 1 2 300.352 4.338 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000614396657 1042490148 /nfs/dbraw/zinc/49/01/48/1042490148.db2.gz APPWCEAZNSBMKZ-CYBMUJFWSA-N 1 2 300.352 4.338 20 30 DIEDLO COc1ccccc1[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccco1 ZINC000151104935 1042499695 /nfs/dbraw/zinc/49/96/95/1042499695.db2.gz HBCRIGHUUILZQY-HXUWFJFHSA-N 1 2 318.376 4.039 20 30 DIEDLO C=CCC[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000420817945 1042613794 /nfs/dbraw/zinc/61/37/94/1042613794.db2.gz MIOGWZSTICEEJU-LJQANCHMSA-N 1 2 323.440 4.205 20 30 DIEDLO CSCc1cnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425364736 1042798152 /nfs/dbraw/zinc/79/81/52/1042798152.db2.gz HKXFZUKYONUSQX-GFCCVEGCSA-N 1 2 317.483 4.071 20 30 DIEDLO CSCc1cnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425364736 1042798159 /nfs/dbraw/zinc/79/81/59/1042798159.db2.gz HKXFZUKYONUSQX-GFCCVEGCSA-N 1 2 317.483 4.071 20 30 DIEDLO COc1ccc2[nH+]cc(Cl)c(N3CCC[C@@H](CC#N)C3)c2c1 ZINC000894485308 1042961679 /nfs/dbraw/zinc/96/16/79/1042961679.db2.gz DEHLRDRIRQDIGZ-LBPRGKRZSA-N 1 2 315.804 4.027 20 30 DIEDLO Cc1cc(C)c(NC(=O)c2cnc(C(C)(C)C)s2)c(C)[nH+]1 ZINC000330653995 1043095636 /nfs/dbraw/zinc/09/56/36/1043095636.db2.gz OGAXXWGICMIQSB-UHFFFAOYSA-N 1 2 303.431 4.397 20 30 DIEDLO Cc1cccc(C(C)(C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000331315583 1043115927 /nfs/dbraw/zinc/11/59/27/1043115927.db2.gz IZWJYMHEBLFFAA-UHFFFAOYSA-N 1 2 311.429 4.386 20 30 DIEDLO CC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1c(C)noc1C ZINC000331352637 1043117597 /nfs/dbraw/zinc/11/75/97/1043117597.db2.gz ZNKGJWMAHFGRDO-AWEZNQCLSA-N 1 2 316.405 4.089 20 30 DIEDLO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866249833 1043166201 /nfs/dbraw/zinc/16/62/01/1043166201.db2.gz ONXHOUHQSWCDRB-UONOGXRCSA-N 1 2 310.397 4.074 20 30 DIEDLO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)c1cccc(C#N)c1O ZINC000866315512 1043179437 /nfs/dbraw/zinc/17/94/37/1043179437.db2.gz LCRLOOWVSSYNNA-AWEZNQCLSA-N 1 2 307.397 4.037 20 30 DIEDLO CSc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866353011 1043185567 /nfs/dbraw/zinc/18/55/67/1043185567.db2.gz NEAMHWCRGGQMBN-QWHCGFSZSA-N 1 2 312.438 4.398 20 30 DIEDLO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866351162 1043186100 /nfs/dbraw/zinc/18/61/00/1043186100.db2.gz NLHKDRFYYYSUKY-KZULUSFZSA-N 1 2 310.372 4.131 20 30 DIEDLO C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866351161 1043186557 /nfs/dbraw/zinc/18/65/57/1043186557.db2.gz NLHKDRFYYYSUKY-KPZWWZAWSA-N 1 2 310.372 4.131 20 30 DIEDLO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1O ZINC000866362450 1043187918 /nfs/dbraw/zinc/18/79/18/1043187918.db2.gz FFIQORVXLRBQBX-BEFAXECRSA-N 1 2 319.408 4.350 20 30 DIEDLO C[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866364927 1043189769 /nfs/dbraw/zinc/18/97/69/1043189769.db2.gz SVJFDTLYVHSKLW-KPZWWZAWSA-N 1 2 310.372 4.131 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1cccc(C#N)c1O ZINC000866362644 1043189926 /nfs/dbraw/zinc/18/99/26/1043189926.db2.gz GLPRBCRLVOXUHN-GFCCVEGCSA-N 1 2 316.351 4.226 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1nccnc1C)c1ccc(F)c(F)c1 ZINC000188485854 1043254923 /nfs/dbraw/zinc/25/49/23/1043254923.db2.gz BSVMHSDCYPVOKH-MLGOLLRUSA-N 1 2 303.356 4.031 20 30 DIEDLO C#CC[N@@H+](CC)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000268202449 1043314479 /nfs/dbraw/zinc/31/44/79/1043314479.db2.gz XUCUMMYDPJUXFP-SNVBAGLBSA-N 1 2 324.211 4.060 20 30 DIEDLO C#CC[N@H+](CC)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000268202449 1043314489 /nfs/dbraw/zinc/31/44/89/1043314489.db2.gz XUCUMMYDPJUXFP-SNVBAGLBSA-N 1 2 324.211 4.060 20 30 DIEDLO C=C1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000521252261 1043381276 /nfs/dbraw/zinc/38/12/76/1043381276.db2.gz FHAIUEBZGAHDHO-UHFFFAOYSA-N 1 2 312.457 4.004 20 30 DIEDLO CC[C@H]([NH2+]Cc1nc(C(C)C)cs1)c1cccc(C#N)c1O ZINC000925283250 1043406099 /nfs/dbraw/zinc/40/60/99/1043406099.db2.gz OQORMXSSRCJIDV-AWEZNQCLSA-N 1 2 315.442 4.085 20 30 DIEDLO N#CC1(C[NH2+][C@@H](Cc2cccc(F)c2Cl)c2ccco2)CC1 ZINC000926875259 1043645182 /nfs/dbraw/zinc/64/51/82/1043645182.db2.gz XHPDVYGGOUSUPH-AWEZNQCLSA-N 1 2 318.779 4.249 20 30 DIEDLO CC(C)c1ccc([C@H]([NH2+]CC2(C#N)CC2)c2cccnc2)cc1 ZINC000926873993 1043645868 /nfs/dbraw/zinc/64/58/68/1043645868.db2.gz LAFGIFFWPJJGDW-IBGZPJMESA-N 1 2 305.425 4.188 20 30 DIEDLO N#CC1(C[NH2+][C@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000926874315 1043646083 /nfs/dbraw/zinc/64/60/83/1043646083.db2.gz OKSAVZKHVOUMRE-OAHLLOKOSA-N 1 2 300.789 4.110 20 30 DIEDLO CC(C)[N@H+](CCC#N)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000535795928 1043668606 /nfs/dbraw/zinc/66/86/06/1043668606.db2.gz NWZOXSITQMULHP-UHFFFAOYSA-N 1 2 304.340 4.349 20 30 DIEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000535795928 1043668616 /nfs/dbraw/zinc/66/86/16/1043668616.db2.gz NWZOXSITQMULHP-UHFFFAOYSA-N 1 2 304.340 4.349 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000876543210 1043694021 /nfs/dbraw/zinc/69/40/21/1043694021.db2.gz HVJVHAZNQINISF-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000876543210 1043694022 /nfs/dbraw/zinc/69/40/22/1043694022.db2.gz HVJVHAZNQINISF-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO C=CCCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC000355468990 1043769911 /nfs/dbraw/zinc/76/99/11/1043769911.db2.gz TVQIEBDVSJUXPQ-UHFFFAOYSA-N 1 2 315.804 4.211 20 30 DIEDLO CC[N@H+](Cc1coc(C(C)(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929332060 1043810535 /nfs/dbraw/zinc/81/05/35/1043810535.db2.gz YVWSSFARWYDQMH-AWEZNQCLSA-N 1 2 311.429 4.427 20 30 DIEDLO CC[N@@H+](Cc1coc(C(C)(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929332060 1043810554 /nfs/dbraw/zinc/81/05/54/1043810554.db2.gz YVWSSFARWYDQMH-AWEZNQCLSA-N 1 2 311.429 4.427 20 30 DIEDLO CC[N@H+](Cc1csc(Cl)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289970996 1043900995 /nfs/dbraw/zinc/90/09/95/1043900995.db2.gz JCNHMNKMEJMQNH-NSHDSACASA-N 1 2 305.834 4.251 20 30 DIEDLO CC[N@@H+](Cc1csc(Cl)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289970996 1043901005 /nfs/dbraw/zinc/90/10/05/1043901005.db2.gz JCNHMNKMEJMQNH-NSHDSACASA-N 1 2 305.834 4.251 20 30 DIEDLO CC(C)COc1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000561771073 1044002272 /nfs/dbraw/zinc/00/22/72/1044002272.db2.gz MJDQADWULXMLKS-UHFFFAOYSA-N 1 2 302.462 4.483 20 30 DIEDLO CC(C)COc1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000561771073 1044002276 /nfs/dbraw/zinc/00/22/76/1044002276.db2.gz MJDQADWULXMLKS-UHFFFAOYSA-N 1 2 302.462 4.483 20 30 DIEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000561958511 1044035732 /nfs/dbraw/zinc/03/57/32/1044035732.db2.gz XDZMOUNIYOXDPE-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000561958511 1044035748 /nfs/dbraw/zinc/03/57/48/1044035748.db2.gz XDZMOUNIYOXDPE-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000561958512 1044037023 /nfs/dbraw/zinc/03/70/23/1044037023.db2.gz XDZMOUNIYOXDPE-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000561958512 1044037037 /nfs/dbraw/zinc/03/70/37/1044037037.db2.gz XDZMOUNIYOXDPE-MRXNPFEDSA-N 1 2 300.402 4.342 20 30 DIEDLO N#CC[N@@H+](CCn1ccc2cc(Cl)ccc21)C1CCCC1 ZINC000562034341 1044052180 /nfs/dbraw/zinc/05/21/80/1044052180.db2.gz WAYBQLKDCPEELC-UHFFFAOYSA-N 1 2 301.821 4.063 20 30 DIEDLO N#CC[N@H+](CCn1ccc2cc(Cl)ccc21)C1CCCC1 ZINC000562034341 1044052194 /nfs/dbraw/zinc/05/21/94/1044052194.db2.gz WAYBQLKDCPEELC-UHFFFAOYSA-N 1 2 301.821 4.063 20 30 DIEDLO Cc1csc(C2([NH2+][C@H](C)c3ccc(C#N)cc3F)CCC2)n1 ZINC000358439352 1044070649 /nfs/dbraw/zinc/07/06/49/1044070649.db2.gz HNDKPCGPZFSTNB-GFCCVEGCSA-N 1 2 315.417 4.192 20 30 DIEDLO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC1 ZINC000359422280 1044166632 /nfs/dbraw/zinc/16/66/32/1044166632.db2.gz AXNKHVARTIFXIU-UHFFFAOYSA-N 1 2 315.804 4.211 20 30 DIEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000778167522 1044194185 /nfs/dbraw/zinc/19/41/85/1044194185.db2.gz JUQGXNXZPUYXMT-MRXNPFEDSA-N 1 2 310.441 4.015 20 30 DIEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000778167522 1044194188 /nfs/dbraw/zinc/19/41/88/1044194188.db2.gz JUQGXNXZPUYXMT-MRXNPFEDSA-N 1 2 310.441 4.015 20 30 DIEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000778167520 1044194478 /nfs/dbraw/zinc/19/44/78/1044194478.db2.gz JUQGXNXZPUYXMT-INIZCTEOSA-N 1 2 310.441 4.015 20 30 DIEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000778167520 1044194483 /nfs/dbraw/zinc/19/44/83/1044194483.db2.gz JUQGXNXZPUYXMT-INIZCTEOSA-N 1 2 310.441 4.015 20 30 DIEDLO C=C(C)c1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000934876764 1044290713 /nfs/dbraw/zinc/29/07/13/1044290713.db2.gz QRZIQHWGUFNILI-CRAIPNDOSA-N 1 2 324.428 4.031 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cncc(C(F)(F)F)c1 ZINC000361307147 1044389554 /nfs/dbraw/zinc/38/95/54/1044389554.db2.gz CHGLDFLINSXNDS-UHFFFAOYSA-N 1 2 313.367 4.252 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cncc(C(F)(F)F)c1 ZINC000361307147 1044389568 /nfs/dbraw/zinc/38/95/68/1044389568.db2.gz CHGLDFLINSXNDS-UHFFFAOYSA-N 1 2 313.367 4.252 20 30 DIEDLO Cc1cc(C[NH+](Cc2ccco2)Cc2ccco2)ccc1C#N ZINC000362959865 1044569578 /nfs/dbraw/zinc/56/95/78/1044569578.db2.gz GBDLZGTYZFTYGT-UHFFFAOYSA-N 1 2 306.365 4.255 20 30 DIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1Cl ZINC000567916584 1044590966 /nfs/dbraw/zinc/59/09/66/1044590966.db2.gz ZNBAACIKHNWMCG-NSHDSACASA-N 1 2 308.834 4.212 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)o1 ZINC000125312525 1044798532 /nfs/dbraw/zinc/79/85/32/1044798532.db2.gz XPKOGHQSKOZRPN-CQSZACIVSA-N 1 2 312.266 4.074 20 30 DIEDLO N#CC1(CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CCCCC1 ZINC000411168431 1044982132 /nfs/dbraw/zinc/98/21/32/1044982132.db2.gz OCQDJTHQDGNQAS-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CCCCC1 ZINC000411168431 1044982153 /nfs/dbraw/zinc/98/21/53/1044982153.db2.gz OCQDJTHQDGNQAS-GOSISDBHSA-N 1 2 316.420 4.063 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)s1 ZINC000374283184 1045042927 /nfs/dbraw/zinc/04/29/27/1045042927.db2.gz LLZZEQVMUDADFI-MRXNPFEDSA-N 1 2 323.421 4.488 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)s1 ZINC000374283184 1045042939 /nfs/dbraw/zinc/04/29/39/1045042939.db2.gz LLZZEQVMUDADFI-MRXNPFEDSA-N 1 2 323.421 4.488 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3coc4ccccc34)c[nH+]c12 ZINC000159026174 1045095857 /nfs/dbraw/zinc/09/58/57/1045095857.db2.gz DDPMQTTZWXZJKO-CMDGGOBGSA-N 1 2 302.333 4.285 20 30 DIEDLO CCCCCCCC[C@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779095156 1045271314 /nfs/dbraw/zinc/27/13/14/1045271314.db2.gz KHNHZDVLQYMLBG-IRXDYDNUSA-N 1 2 319.493 4.091 20 30 DIEDLO C=C(Cl)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000779107330 1045284363 /nfs/dbraw/zinc/28/43/63/1045284363.db2.gz ZGGBSBLSGXOYTJ-MRXNPFEDSA-N 1 2 302.761 4.026 20 30 DIEDLO CC(C)[N@H+](CCC#N)Cc1ccc(Br)c(Cl)c1 ZINC000579422521 1045315424 /nfs/dbraw/zinc/31/54/24/1045315424.db2.gz GZQIGKHIKQULHF-UHFFFAOYSA-N 1 2 315.642 4.227 20 30 DIEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(Br)c(Cl)c1 ZINC000579422521 1045315430 /nfs/dbraw/zinc/31/54/30/1045315430.db2.gz GZQIGKHIKQULHF-UHFFFAOYSA-N 1 2 315.642 4.227 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1ccnn1C1CCCC1 ZINC000449009562 1045334674 /nfs/dbraw/zinc/33/46/74/1045334674.db2.gz VNUIVNUFHLYARH-UHFFFAOYSA-N 1 2 301.459 4.248 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccnn1C1CCCC1 ZINC000449009562 1045334680 /nfs/dbraw/zinc/33/46/80/1045334680.db2.gz VNUIVNUFHLYARH-UHFFFAOYSA-N 1 2 301.459 4.248 20 30 DIEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000449735755 1045432789 /nfs/dbraw/zinc/43/27/89/1045432789.db2.gz UVCJCAWVJHDBOE-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000449735755 1045432793 /nfs/dbraw/zinc/43/27/93/1045432793.db2.gz UVCJCAWVJHDBOE-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO N#CCCCCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450311850 1045486826 /nfs/dbraw/zinc/48/68/26/1045486826.db2.gz FSBQXRWZKQZFRQ-UHFFFAOYSA-N 1 2 322.181 4.242 20 30 DIEDLO Cc1cccn2c(/C=C3\C[C@@H](C)c4ccccc4C3=O)c[nH+]c12 ZINC000751534810 1045612099 /nfs/dbraw/zinc/61/20/99/1045612099.db2.gz FJHSEKYGCHAPPT-XDPMZMSMSA-N 1 2 302.377 4.416 20 30 DIEDLO Cc1cccn2c(/C=C3\C[C@H](C)c4ccccc4C3=O)c[nH+]c12 ZINC000751534808 1045612414 /nfs/dbraw/zinc/61/24/14/1045612414.db2.gz FJHSEKYGCHAPPT-AYYGCFCKSA-N 1 2 302.377 4.416 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(N2CCCCC2)cc1 ZINC000901430512 1045730024 /nfs/dbraw/zinc/73/00/24/1045730024.db2.gz ZAYQHFAJJVNESQ-KHPPLWFESA-N 1 2 323.440 4.350 20 30 DIEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(SCC(F)F)cc1 ZINC000901482461 1045743245 /nfs/dbraw/zinc/74/32/45/1045743245.db2.gz XTFNHAWJTNKWRK-VMPITWQZSA-N 1 2 322.380 4.156 20 30 DIEDLO Cc1[nH]c(/C=C2\CCSc3ccc(Cl)cc3C2=O)[nH+]c1C ZINC000901481825 1045744055 /nfs/dbraw/zinc/74/40/55/1045744055.db2.gz ZMIRQRREUKIKSZ-YRNVUSSQSA-N 1 2 318.829 4.442 20 30 DIEDLO CC(=[NH+]Nc1cccc(C#N)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000754713415 1045917900 /nfs/dbraw/zinc/91/79/00/1045917900.db2.gz IXNGDCGRLDBBNO-UHFFFAOYSA-N 1 2 319.195 4.283 20 30 DIEDLO C#CC[N@@H+](Cc1cc(F)cc(F)c1F)[C@@H]1CCc2ccccc21 ZINC001137872085 1045995041 /nfs/dbraw/zinc/99/50/41/1045995041.db2.gz BMPXPBRNFYCOKC-GOSISDBHSA-N 1 2 315.338 4.227 20 30 DIEDLO C#CC[N@H+](Cc1cc(F)cc(F)c1F)[C@@H]1CCc2ccccc21 ZINC001137872085 1045995050 /nfs/dbraw/zinc/99/50/50/1045995050.db2.gz BMPXPBRNFYCOKC-GOSISDBHSA-N 1 2 315.338 4.227 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1cc(C#N)ccn1 ZINC000902874421 1046097223 /nfs/dbraw/zinc/09/72/23/1046097223.db2.gz FQBKFHULBRKAIC-MNOVXSKESA-N 1 2 303.768 4.158 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000194392443 1046098720 /nfs/dbraw/zinc/09/87/20/1046098720.db2.gz WHWQWWIYDQSWBW-GOSISDBHSA-N 1 2 316.408 4.211 20 30 DIEDLO C[N@H+](Cc1nccs1)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138336026 1046153630 /nfs/dbraw/zinc/15/36/30/1046153630.db2.gz HUMNSLJIKDHDRY-UHFFFAOYSA-N 1 2 318.445 4.175 20 30 DIEDLO C[N@@H+](Cc1nccs1)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138336026 1046153631 /nfs/dbraw/zinc/15/36/31/1046153631.db2.gz HUMNSLJIKDHDRY-UHFFFAOYSA-N 1 2 318.445 4.175 20 30 DIEDLO Cc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cc1C ZINC000783697935 1046171999 /nfs/dbraw/zinc/17/19/99/1046171999.db2.gz XEYGJDSXLYSNJD-WAYWQWQTSA-N 1 2 308.406 4.447 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cc2cccc(F)c2o1 ZINC000475713972 1046176069 /nfs/dbraw/zinc/17/60/69/1046176069.db2.gz LFCZJNYBUXTDNX-NSHDSACASA-N 1 2 312.319 4.433 20 30 DIEDLO O=C1c2ccc(F)cc2CC/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783710343 1046190317 /nfs/dbraw/zinc/19/03/17/1046190317.db2.gz GDWDSBWACUANES-MDWZMJQESA-N 1 2 324.380 4.285 20 30 DIEDLO CC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(C#N)cc1 ZINC000903271936 1046215759 /nfs/dbraw/zinc/21/57/59/1046215759.db2.gz MBLWVCTZTGPFCQ-JENIJYKNSA-N 1 2 310.372 4.071 20 30 DIEDLO CC(=[NH+]Nc1ccccc1Br)c1ccc(N)cc1C ZINC000758097633 1046243763 /nfs/dbraw/zinc/24/37/63/1046243763.db2.gz FPFGRCHSBWGWSC-UHFFFAOYSA-N 1 2 318.218 4.176 20 30 DIEDLO C=CCCn1cc(C[N@@H+](CCCC)[C@@H](C)c2ccc(C)o2)nn1 ZINC000653522503 1046256522 /nfs/dbraw/zinc/25/65/22/1046256522.db2.gz KYEYKEULUOPPFJ-INIZCTEOSA-N 1 2 316.449 4.119 20 30 DIEDLO C=CCCn1cc(C[N@H+](CCCC)[C@@H](C)c2ccc(C)o2)nn1 ZINC000653522503 1046256531 /nfs/dbraw/zinc/25/65/31/1046256531.db2.gz KYEYKEULUOPPFJ-INIZCTEOSA-N 1 2 316.449 4.119 20 30 DIEDLO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC001138665291 1046259683 /nfs/dbraw/zinc/25/96/83/1046259683.db2.gz LTLJNRYQSNHVSE-MRXNPFEDSA-N 1 2 314.454 4.435 20 30 DIEDLO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC001138665291 1046259694 /nfs/dbraw/zinc/25/96/94/1046259694.db2.gz LTLJNRYQSNHVSE-MRXNPFEDSA-N 1 2 314.454 4.435 20 30 DIEDLO C=CCC(CC=C)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000758441955 1046270202 /nfs/dbraw/zinc/27/02/02/1046270202.db2.gz STLOWNJDSBXPEH-UHFFFAOYSA-N 1 2 309.413 4.400 20 30 DIEDLO CCC(=[NH+]Nc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000759204078 1046334805 /nfs/dbraw/zinc/33/48/05/1046334805.db2.gz ANEROKNUKSSNGF-UHFFFAOYSA-N 1 2 302.809 4.027 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC001139030055 1046364970 /nfs/dbraw/zinc/36/49/70/1046364970.db2.gz DXWRUGBKPHYUFC-OAHLLOKOSA-N 1 2 300.427 4.045 20 30 DIEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC001139030055 1046364991 /nfs/dbraw/zinc/36/49/91/1046364991.db2.gz DXWRUGBKPHYUFC-OAHLLOKOSA-N 1 2 300.427 4.045 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC001139030054 1046365179 /nfs/dbraw/zinc/36/51/79/1046365179.db2.gz DXWRUGBKPHYUFC-HNNXBMFYSA-N 1 2 300.427 4.045 20 30 DIEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC001139030054 1046365194 /nfs/dbraw/zinc/36/51/94/1046365194.db2.gz DXWRUGBKPHYUFC-HNNXBMFYSA-N 1 2 300.427 4.045 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc2ccccc2s1 ZINC000780188317 1046376968 /nfs/dbraw/zinc/37/69/68/1046376968.db2.gz LJHAJDOEJGQLIZ-CMDGGOBGSA-N 1 2 304.374 4.445 20 30 DIEDLO Cc1cccc2[nH]cc(C[N@H+](CCC#N)Cc3ccccc3)c21 ZINC001139190022 1046406513 /nfs/dbraw/zinc/40/65/13/1046406513.db2.gz BLHWEZKPMNMTFD-UHFFFAOYSA-N 1 2 303.409 4.392 20 30 DIEDLO Cc1cccc2[nH]cc(C[N@@H+](CCC#N)Cc3ccccc3)c21 ZINC001139190022 1046406520 /nfs/dbraw/zinc/40/65/20/1046406520.db2.gz BLHWEZKPMNMTFD-UHFFFAOYSA-N 1 2 303.409 4.392 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cn(C)c4ccccc34)n21 ZINC000748997178 1046422040 /nfs/dbraw/zinc/42/20/40/1046422040.db2.gz HDGANYHZCGBJMQ-ZHACJKMWSA-N 1 2 315.376 4.031 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cc4ccccc4o3)n21 ZINC000748993544 1046422461 /nfs/dbraw/zinc/42/24/61/1046422461.db2.gz ABFNJUVRKVSVGD-MDZDMXLPSA-N 1 2 302.333 4.285 20 30 DIEDLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(C#N)cc1F ZINC000781423969 1046444364 /nfs/dbraw/zinc/44/43/64/1046444364.db2.gz ZWEZYGAFBZAINR-ZDUSSCGKSA-N 1 2 309.388 4.253 20 30 DIEDLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(C#N)cc1F ZINC000781423969 1046444368 /nfs/dbraw/zinc/44/43/68/1046444368.db2.gz ZWEZYGAFBZAINR-ZDUSSCGKSA-N 1 2 309.388 4.253 20 30 DIEDLO CCCCCCCCCC[N@H+](C)Cc1c(N)ncnc1Cl ZINC001139442887 1046451126 /nfs/dbraw/zinc/45/11/26/1046451126.db2.gz SUJOXRJKVWJTDH-UHFFFAOYSA-N 1 2 312.889 4.285 20 30 DIEDLO CCCCCCCCCC[N@@H+](C)Cc1c(N)ncnc1Cl ZINC001139442887 1046451131 /nfs/dbraw/zinc/45/11/31/1046451131.db2.gz SUJOXRJKVWJTDH-UHFFFAOYSA-N 1 2 312.889 4.285 20 30 DIEDLO C[N@H+](CCC#N)Cc1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC001139481870 1046454403 /nfs/dbraw/zinc/45/44/03/1046454403.db2.gz ONNKBJOXVOQOHX-UHFFFAOYSA-N 1 2 319.330 4.113 20 30 DIEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC001139481870 1046454406 /nfs/dbraw/zinc/45/44/06/1046454406.db2.gz ONNKBJOXVOQOHX-UHFFFAOYSA-N 1 2 319.330 4.113 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)cc1F ZINC001139528141 1046463080 /nfs/dbraw/zinc/46/30/80/1046463080.db2.gz ZIFGNKVMBFPLQJ-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)cc1F ZINC001139528141 1046463083 /nfs/dbraw/zinc/46/30/83/1046463083.db2.gz ZIFGNKVMBFPLQJ-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO CC(C)c1nc(C[N@H+](C)Cc2c[nH]c3c2cccc3C#N)cs1 ZINC001139706518 1046502069 /nfs/dbraw/zinc/50/20/69/1046502069.db2.gz XKNKLGDNSGEFOD-UHFFFAOYSA-N 1 2 324.453 4.251 20 30 DIEDLO CC(C)c1nc(C[N@@H+](C)Cc2c[nH]c3c2cccc3C#N)cs1 ZINC001139706518 1046502080 /nfs/dbraw/zinc/50/20/80/1046502080.db2.gz XKNKLGDNSGEFOD-UHFFFAOYSA-N 1 2 324.453 4.251 20 30 DIEDLO C=CC[N@H+](Cc1cc(Cl)ncc1Br)C(C)(C)C ZINC001139809500 1046524854 /nfs/dbraw/zinc/52/48/54/1046524854.db2.gz NSXONFCGTGREFI-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO C=CC[N@@H+](Cc1cc(Cl)ncc1Br)C(C)(C)C ZINC001139809500 1046524865 /nfs/dbraw/zinc/52/48/65/1046524865.db2.gz NSXONFCGTGREFI-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1[nH]nc2ccccc21 ZINC000678125218 1046563479 /nfs/dbraw/zinc/56/34/79/1046563479.db2.gz QSVXQIVIPAUHLA-UHFFFAOYSA-N 1 2 317.845 4.466 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1[nH]nc2ccccc21 ZINC000678125218 1046563494 /nfs/dbraw/zinc/56/34/94/1046563494.db2.gz QSVXQIVIPAUHLA-UHFFFAOYSA-N 1 2 317.845 4.466 20 30 DIEDLO C=CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)Cc1ccccc1 ZINC000642098881 1046563712 /nfs/dbraw/zinc/56/37/12/1046563712.db2.gz CDAFSZRZBSKDOV-UHFFFAOYSA-N 1 2 319.408 4.233 20 30 DIEDLO C=CC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)Cc1ccccc1 ZINC000642098881 1046563721 /nfs/dbraw/zinc/56/37/21/1046563721.db2.gz CDAFSZRZBSKDOV-UHFFFAOYSA-N 1 2 319.408 4.233 20 30 DIEDLO N#CCC[N@@H+](Cc1ccc(O)cc1F)C1CCCCCCC1 ZINC001140127448 1046594316 /nfs/dbraw/zinc/59/43/16/1046594316.db2.gz USGHKVVJVFZUIM-UHFFFAOYSA-N 1 2 304.409 4.360 20 30 DIEDLO N#CCC[N@H+](Cc1ccc(O)cc1F)C1CCCCCCC1 ZINC001140127448 1046594326 /nfs/dbraw/zinc/59/43/26/1046594326.db2.gz USGHKVVJVFZUIM-UHFFFAOYSA-N 1 2 304.409 4.360 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000130212825 1046612124 /nfs/dbraw/zinc/61/21/24/1046612124.db2.gz CJUFXYIBPQVMHV-KBPBESRZSA-N 1 2 318.380 4.020 20 30 DIEDLO Cc1ccc(C)c(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783701082 1046623777 /nfs/dbraw/zinc/62/37/77/1046623777.db2.gz SPAVXYNFRUXAIJ-AATRIKPKSA-N 1 2 308.406 4.447 20 30 DIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000783697515 1046623974 /nfs/dbraw/zinc/62/39/74/1046623974.db2.gz RIDSNBBFKYAJOB-AATRIKPKSA-N 1 2 314.797 4.483 20 30 DIEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000783709094 1046625915 /nfs/dbraw/zinc/62/59/15/1046625915.db2.gz JYYLZHVDUKBAAW-OQLLNIDSSA-N 1 2 320.417 4.455 20 30 DIEDLO Cc1ccc(F)c(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783713693 1046628059 /nfs/dbraw/zinc/62/80/59/1046628059.db2.gz UXJVYSVTQGUNDP-HWKANZROSA-N 1 2 312.369 4.277 20 30 DIEDLO CC(=[NH+]Nc1ccc(C#N)c(Cl)c1)c1ccc(N)cc1Cl ZINC000783877402 1046640857 /nfs/dbraw/zinc/64/08/57/1046640857.db2.gz JWFXUSZKKSXVSF-UHFFFAOYSA-N 1 2 319.195 4.283 20 30 DIEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000784453190 1046690450 /nfs/dbraw/zinc/69/04/50/1046690450.db2.gz CCKDWCDZVVYPMM-CQSZACIVSA-N 1 2 314.376 4.424 20 30 DIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000784453190 1046690455 /nfs/dbraw/zinc/69/04/55/1046690455.db2.gz CCKDWCDZVVYPMM-CQSZACIVSA-N 1 2 314.376 4.424 20 30 DIEDLO C=CCCc1ccccc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000455373484 1046753760 /nfs/dbraw/zinc/75/37/60/1046753760.db2.gz BBXDQPQHCZBBKE-UHFFFAOYSA-N 1 2 309.413 4.139 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)C1 ZINC001140566843 1046785990 /nfs/dbraw/zinc/78/59/90/1046785990.db2.gz TTXNQKBIDOEXAT-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)C1 ZINC001140566843 1046786006 /nfs/dbraw/zinc/78/60/06/1046786006.db2.gz TTXNQKBIDOEXAT-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO C#CC[N@@H+](Cc1cc(C#N)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC001140601127 1046806448 /nfs/dbraw/zinc/80/64/48/1046806448.db2.gz HIIWZQOVOSVXET-HXUWFJFHSA-N 1 2 320.823 4.334 20 30 DIEDLO C#CC[N@H+](Cc1cc(C#N)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC001140601127 1046806459 /nfs/dbraw/zinc/80/64/59/1046806459.db2.gz HIIWZQOVOSVXET-HXUWFJFHSA-N 1 2 320.823 4.334 20 30 DIEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC#Cc1ccccc1Cl ZINC000679542688 1046862071 /nfs/dbraw/zinc/86/20/71/1046862071.db2.gz BAWBEMLRSVCLAF-TZMCWYRMSA-N 1 2 315.766 4.354 20 30 DIEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC#Cc1ccccc1Cl ZINC000679542688 1046862093 /nfs/dbraw/zinc/86/20/93/1046862093.db2.gz BAWBEMLRSVCLAF-TZMCWYRMSA-N 1 2 315.766 4.354 20 30 DIEDLO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000798936454 1046991004 /nfs/dbraw/zinc/99/10/04/1046991004.db2.gz HPFVUFFAHJQZPE-NXEZZACHSA-N 1 2 316.214 4.299 20 30 DIEDLO Cc1ccccc1OC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141164236 1047031348 /nfs/dbraw/zinc/03/13/48/1047031348.db2.gz REKFYKRZHFTXJB-UHFFFAOYSA-N 1 2 324.399 4.049 20 30 DIEDLO N#C[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCc4sccc4C3)cc2)C1 ZINC000799724296 1047057368 /nfs/dbraw/zinc/05/73/68/1047057368.db2.gz KJBCZWXQYLRCAU-PBHICJAKSA-N 1 2 323.465 4.415 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(Cl)n1 ZINC000796453732 1047295434 /nfs/dbraw/zinc/29/54/34/1047295434.db2.gz MILOQIDFCXMFLU-UHFFFAOYSA-N 1 2 318.852 4.091 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(Cl)n1 ZINC000796453732 1047295442 /nfs/dbraw/zinc/29/54/42/1047295442.db2.gz MILOQIDFCXMFLU-UHFFFAOYSA-N 1 2 318.852 4.091 20 30 DIEDLO C[N@@H+](Cc1ccc(C#Cc2ccccc2)s1)Cc1cncs1 ZINC001141978048 1047326014 /nfs/dbraw/zinc/32/60/14/1047326014.db2.gz YIUPJYKRPXCMCF-UHFFFAOYSA-N 1 2 324.474 4.236 20 30 DIEDLO C[N@H+](Cc1ccc(C#Cc2ccccc2)s1)Cc1cncs1 ZINC001141978048 1047326028 /nfs/dbraw/zinc/32/60/28/1047326028.db2.gz YIUPJYKRPXCMCF-UHFFFAOYSA-N 1 2 324.474 4.236 20 30 DIEDLO C[C@]1(C#N)CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000612163879 1047350288 /nfs/dbraw/zinc/35/02/88/1047350288.db2.gz ZPMDTJLDDSDVHP-MRXNPFEDSA-N 1 2 321.262 4.007 20 30 DIEDLO C[C@]1(C#N)CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000612163879 1047350298 /nfs/dbraw/zinc/35/02/98/1047350298.db2.gz ZPMDTJLDDSDVHP-MRXNPFEDSA-N 1 2 321.262 4.007 20 30 DIEDLO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Cl)c1 ZINC001142293218 1047423294 /nfs/dbraw/zinc/42/32/94/1047423294.db2.gz OJJGJAZCMVFEGP-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)c1 ZINC001142293218 1047423299 /nfs/dbraw/zinc/42/32/99/1047423299.db2.gz OJJGJAZCMVFEGP-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO N#CC1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000057875940 1047471351 /nfs/dbraw/zinc/47/13/51/1047471351.db2.gz SYMIWYWLFJZVTN-UHFFFAOYSA-N 1 2 317.845 4.199 20 30 DIEDLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143174342 1047537485 /nfs/dbraw/zinc/53/74/85/1047537485.db2.gz QKKFIYVFRGOPCB-GOSISDBHSA-N 1 2 312.363 4.346 20 30 DIEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143174342 1047537493 /nfs/dbraw/zinc/53/74/93/1047537493.db2.gz QKKFIYVFRGOPCB-GOSISDBHSA-N 1 2 312.363 4.346 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+](Cc2ccccc2)C2CCC2)c1F ZINC001143175633 1047538665 /nfs/dbraw/zinc/53/86/65/1047538665.db2.gz CQSRHKLFNOJFAO-UHFFFAOYSA-N 1 2 312.363 4.391 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2)C2CCC2)c1F ZINC001143175633 1047538669 /nfs/dbraw/zinc/53/86/69/1047538669.db2.gz CQSRHKLFNOJFAO-UHFFFAOYSA-N 1 2 312.363 4.391 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093090717 1047542604 /nfs/dbraw/zinc/54/26/04/1047542604.db2.gz BRXHBEMAVUTKQU-GFCCVEGCSA-N 1 2 315.398 4.057 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093090717 1047542613 /nfs/dbraw/zinc/54/26/13/1047542613.db2.gz BRXHBEMAVUTKQU-GFCCVEGCSA-N 1 2 315.398 4.057 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093090508 1047543665 /nfs/dbraw/zinc/54/36/65/1047543665.db2.gz SXXHYKCNVBPCBE-GFCCVEGCSA-N 1 2 315.398 4.057 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093090508 1047543672 /nfs/dbraw/zinc/54/36/72/1047543672.db2.gz SXXHYKCNVBPCBE-GFCCVEGCSA-N 1 2 315.398 4.057 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001143288791 1047550170 /nfs/dbraw/zinc/55/01/70/1047550170.db2.gz XCNRBBBPMIPHRB-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001143288791 1047550175 /nfs/dbraw/zinc/55/01/75/1047550175.db2.gz XCNRBBBPMIPHRB-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO CC(C)(C#N)CC[N@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000538466716 1047680500 /nfs/dbraw/zinc/68/05/00/1047680500.db2.gz ODGCAUZQBNTHPQ-UHFFFAOYSA-N 1 2 308.425 4.381 20 30 DIEDLO CC(C)(C#N)CC[N@@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000538466716 1047680505 /nfs/dbraw/zinc/68/05/05/1047680505.db2.gz ODGCAUZQBNTHPQ-UHFFFAOYSA-N 1 2 308.425 4.381 20 30 DIEDLO COc1ccc(CCCNc2[nH+]ccc3ccc(C#N)cc32)cc1 ZINC001156167186 1047703366 /nfs/dbraw/zinc/70/33/66/1047703366.db2.gz STJUQMUSWKHRFX-UHFFFAOYSA-N 1 2 317.392 4.160 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(NCc3cnc4ccccc4c3)c2c1 ZINC001156174928 1047704783 /nfs/dbraw/zinc/70/47/83/1047704783.db2.gz BNJHYCQJUAZXCJ-UHFFFAOYSA-N 1 2 310.360 4.267 20 30 DIEDLO CC(C)(Nc1[nH+]ccc2ccc(C#N)cc21)c1ccc(C#N)cc1 ZINC001156429624 1047712557 /nfs/dbraw/zinc/71/25/57/1047712557.db2.gz BQMHIDANTYYUOS-UHFFFAOYSA-N 1 2 312.376 4.325 20 30 DIEDLO CCSc1cc[nH+]c(N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001156765665 1047722040 /nfs/dbraw/zinc/72/20/40/1047722040.db2.gz FACAGNMZSANTAY-UHFFFAOYSA-N 1 2 323.465 4.449 20 30 DIEDLO Cc1c(CNc2cc(CC#N)cc[nH+]2)cccc1C(F)(F)F ZINC001157736823 1047751746 /nfs/dbraw/zinc/75/17/46/1047751746.db2.gz OEHVCKOCTFQJOT-UHFFFAOYSA-N 1 2 305.303 4.087 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N[C@H]3CCNc4ccccc43)c2c1 ZINC001157835622 1047757983 /nfs/dbraw/zinc/75/79/83/1047757983.db2.gz SLDDRHKIOUVWKY-SFHVURJKSA-N 1 2 300.365 4.075 20 30 DIEDLO Cc1[nH+]c(N[C@@](C)(C#N)c2ccccc2Cl)cc2[nH]ccc21 ZINC001158482094 1047785978 /nfs/dbraw/zinc/78/59/78/1047785978.db2.gz GOMOZIWIZHYEBX-KRWDZBQOSA-N 1 2 310.788 4.376 20 30 DIEDLO C#C[C@](C)(CC)Nc1ccc(-c2ccc(C(=O)OC)cc2)c(C)[nH+]1 ZINC001158743354 1047797068 /nfs/dbraw/zinc/79/70/68/1047797068.db2.gz USKITLRYKYXROQ-HXUWFJFHSA-N 1 2 322.408 4.057 20 30 DIEDLO N#CCc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1F ZINC001174524288 1047886754 /nfs/dbraw/zinc/88/67/54/1047886754.db2.gz DELUUZIWSIMJHE-UHFFFAOYSA-N 1 2 310.376 4.021 20 30 DIEDLO C[C@@H](C#N)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174524174 1047887068 /nfs/dbraw/zinc/88/70/68/1047887068.db2.gz HKEVGYHJVBZJBJ-HNNXBMFYSA-N 1 2 306.413 4.443 20 30 DIEDLO N#Cc1c(Cl)cccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523790 1047887859 /nfs/dbraw/zinc/88/78/59/1047887859.db2.gz RIXCTULZONELEH-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N)cc(Cl)[nH+]1 ZINC001160180408 1047988895 /nfs/dbraw/zinc/98/88/95/1047988895.db2.gz AHQHOJYKFBOFMO-LLVKDONJSA-N 1 2 303.793 4.055 20 30 DIEDLO CCCCCCC[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000775972863 1048069685 /nfs/dbraw/zinc/06/96/85/1048069685.db2.gz YUAGSJYVRFHMSC-DOTOQJQBSA-N 1 2 300.450 4.233 20 30 DIEDLO Cc1cc(F)c(C#N)c(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001184905989 1048103674 /nfs/dbraw/zinc/10/36/74/1048103674.db2.gz ULFHUDCYJNSHCL-UHFFFAOYSA-N 1 2 324.403 4.003 20 30 DIEDLO N#Cc1cc(Cl)c(Nc2cccc3[nH+]c[nH]c32)c(Cl)c1 ZINC001213030430 1048113080 /nfs/dbraw/zinc/11/30/80/1048113080.db2.gz BDQYUVJSWOLFHH-UHFFFAOYSA-N 1 2 303.152 4.485 20 30 DIEDLO N#Cc1cc(Cl)cc(Cl)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213032206 1048125186 /nfs/dbraw/zinc/12/51/86/1048125186.db2.gz XUHBGKFHQPFOLD-UHFFFAOYSA-N 1 2 303.152 4.485 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N[C@H](c3cncc(F)c3)C3CC3)c2c1 ZINC001161812670 1048175659 /nfs/dbraw/zinc/17/56/59/1048175659.db2.gz XFLWSLQNICDAEZ-SFHVURJKSA-N 1 2 318.355 4.204 20 30 DIEDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1ncccc1C#N ZINC001185792340 1048230359 /nfs/dbraw/zinc/23/03/59/1048230359.db2.gz AYIMUSAWQRXAQW-HNNXBMFYSA-N 1 2 306.413 4.384 20 30 DIEDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1ncccc1C#N ZINC001185792340 1048230368 /nfs/dbraw/zinc/23/03/68/1048230368.db2.gz AYIMUSAWQRXAQW-HNNXBMFYSA-N 1 2 306.413 4.384 20 30 DIEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1Nc1ccc(N)[nH+]c1 ZINC001201299595 1048233436 /nfs/dbraw/zinc/23/34/36/1048233436.db2.gz GTJVTRVWRIHFIK-UHFFFAOYSA-N 1 2 315.880 4.290 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC001175267992 1048246205 /nfs/dbraw/zinc/24/62/05/1048246205.db2.gz LLCDKGAWCPWNGM-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC001175267992 1048246219 /nfs/dbraw/zinc/24/62/19/1048246219.db2.gz LLCDKGAWCPWNGM-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(NCc3cncc4ccccc43)c2c1 ZINC001162747607 1048347254 /nfs/dbraw/zinc/34/72/54/1048347254.db2.gz MRYMZHPEVCIYFO-UHFFFAOYSA-N 1 2 310.360 4.267 20 30 DIEDLO N#Cc1cc(Cl)cc(C[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC001175561847 1048371554 /nfs/dbraw/zinc/37/15/54/1048371554.db2.gz ZDLMBECXXMZJFQ-INIZCTEOSA-N 1 2 306.743 4.151 20 30 DIEDLO CCCCCCCCC[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001201852874 1048382132 /nfs/dbraw/zinc/38/21/32/1048382132.db2.gz PWDGOHAHZJBIBA-UHFFFAOYSA-N 1 2 319.493 4.301 20 30 DIEDLO CCCCCCCCC[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001201852874 1048382145 /nfs/dbraw/zinc/38/21/45/1048382145.db2.gz PWDGOHAHZJBIBA-UHFFFAOYSA-N 1 2 319.493 4.301 20 30 DIEDLO C=CC(C)(C)CCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC001187525341 1048403190 /nfs/dbraw/zinc/40/31/90/1048403190.db2.gz NASGBWQUHCRZCK-UHFFFAOYSA-N 1 2 321.428 4.220 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2cccc(C#N)c2Br)c1 ZINC001203667179 1048432458 /nfs/dbraw/zinc/43/24/58/1048432458.db2.gz KVRZKAQTZNRLNV-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1nc(C)sc1C)c1ccc(F)c(F)c1 ZINC000481591021 1048437916 /nfs/dbraw/zinc/43/79/16/1048437916.db2.gz IKSRHEWLNUMOGH-INIZCTEOSA-N 1 2 308.397 4.445 20 30 DIEDLO C=CCC1(CNc2[nH+]cnc3c2cnn3C(C)(C)C)CCCC1 ZINC001163294509 1048448267 /nfs/dbraw/zinc/44/82/67/1048448267.db2.gz NJMUBSGHTMEFTR-UHFFFAOYSA-N 1 2 313.449 4.130 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC001203686662 1048534282 /nfs/dbraw/zinc/53/42/82/1048534282.db2.gz GVGHUVVFQSAMKO-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC001203686662 1048534286 /nfs/dbraw/zinc/53/42/86/1048534286.db2.gz GVGHUVVFQSAMKO-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO COc1cc[nH+]cc1Nc1sc(Cc2ccccc2)cc1C#N ZINC001176116835 1048572306 /nfs/dbraw/zinc/57/23/06/1048572306.db2.gz MGXHEDUXJPVFBS-UHFFFAOYSA-N 1 2 321.405 4.358 20 30 DIEDLO COc1cc[nH+]cc1Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001176125039 1048577191 /nfs/dbraw/zinc/57/71/91/1048577191.db2.gz XLANBAZVCRGBMI-UHFFFAOYSA-N 1 2 317.348 4.498 20 30 DIEDLO CC(C)c1cc(N(C)Cc2cc(C#N)cs2)nc(C(C)C)[nH+]1 ZINC001164248444 1048612874 /nfs/dbraw/zinc/61/28/74/1048612874.db2.gz BQQGKEHOALUYOC-UHFFFAOYSA-N 1 2 314.458 4.293 20 30 DIEDLO Cc1cc(NC(C)(C)c2ccc(C#N)cc2)cc(OC(F)F)[nH+]1 ZINC001165761136 1048715509 /nfs/dbraw/zinc/71/55/09/1048715509.db2.gz RPBPPJUUHLDIIL-UHFFFAOYSA-N 1 2 317.339 4.210 20 30 DIEDLO CN(Cc1ccccc1)c1ccc(Nc2sccc2C#N)c[nH+]1 ZINC001203512517 1048916314 /nfs/dbraw/zinc/91/63/14/1048916314.db2.gz BLCUBXVTZCEOAK-UHFFFAOYSA-N 1 2 320.421 4.395 20 30 DIEDLO C=CCOCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC001191443607 1048946488 /nfs/dbraw/zinc/94/64/88/1048946488.db2.gz CSQJXGRKVJZHTA-NSHDSACASA-N 1 2 300.229 4.115 20 30 DIEDLO C=CCOCC[N@H+]1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC001191443607 1048946498 /nfs/dbraw/zinc/94/64/98/1048946498.db2.gz CSQJXGRKVJZHTA-NSHDSACASA-N 1 2 300.229 4.115 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2cc(F)c(Br)cc2C#N)c1 ZINC001203669528 1048956921 /nfs/dbraw/zinc/95/69/21/1048956921.db2.gz UISSJAOYUAUTBY-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2cc(Br)cc(F)c2C#N)c1 ZINC001203667957 1048957140 /nfs/dbraw/zinc/95/71/40/1048957140.db2.gz RKTRSROBMRPISA-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO N#Cc1ncc(Cl)cc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203718914 1048975831 /nfs/dbraw/zinc/97/58/31/1048975831.db2.gz MVFUYVRDFKMESD-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO COc1cccc(Nc2ccc([NH+]3CCCCC3)cc2)c1C#N ZINC001203724117 1048979249 /nfs/dbraw/zinc/97/92/49/1048979249.db2.gz GBPDEXQBJAGBGL-UHFFFAOYSA-N 1 2 307.397 4.301 20 30 DIEDLO N#CC1(c2ccccc2)CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001204203048 1049109634 /nfs/dbraw/zinc/10/96/34/1049109634.db2.gz SJIUFYOIINLOSM-UHFFFAOYSA-N 1 2 312.363 4.022 20 30 DIEDLO CC(C)Oc1ccc(C[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001204453369 1049166527 /nfs/dbraw/zinc/16/65/27/1049166527.db2.gz VTCXMGJYVLYHLI-UHFFFAOYSA-N 1 2 308.425 4.390 20 30 DIEDLO CC(C)Oc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001204453369 1049166533 /nfs/dbraw/zinc/16/65/33/1049166533.db2.gz VTCXMGJYVLYHLI-UHFFFAOYSA-N 1 2 308.425 4.390 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cn(C)nc1C1CC1 ZINC001180422984 1049354687 /nfs/dbraw/zinc/35/46/87/1049354687.db2.gz QHZFJYMBRBCTFM-UHFFFAOYSA-N 1 2 321.877 4.201 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cn(C)nc1C1CC1 ZINC001180422984 1049354697 /nfs/dbraw/zinc/35/46/97/1049354697.db2.gz QHZFJYMBRBCTFM-UHFFFAOYSA-N 1 2 321.877 4.201 20 30 DIEDLO CCCCCCCCOC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001194743721 1049415817 /nfs/dbraw/zinc/41/58/17/1049415817.db2.gz OYYWHMZVIJEYJF-UHFFFAOYSA-N 1 2 307.438 4.017 20 30 DIEDLO Cc1cc(C[N@@H+](C)[C@@H](C)c2c(F)cccc2F)ccc1C#N ZINC000486733565 1049463341 /nfs/dbraw/zinc/46/33/41/1049463341.db2.gz FLUIKTAFBFAXDI-ZDUSSCGKSA-N 1 2 300.352 4.338 20 30 DIEDLO Cc1cc(C[N@H+](C)[C@@H](C)c2c(F)cccc2F)ccc1C#N ZINC000486733565 1049463345 /nfs/dbraw/zinc/46/33/45/1049463345.db2.gz FLUIKTAFBFAXDI-ZDUSSCGKSA-N 1 2 300.352 4.338 20 30 DIEDLO CC[N@H+](Cc1c(F)cccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000487000063 1049506222 /nfs/dbraw/zinc/50/62/22/1049506222.db2.gz KBLIUVZDXFEJAD-CYBMUJFWSA-N 1 2 300.352 4.420 20 30 DIEDLO CC[N@@H+](Cc1c(F)cccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000487000063 1049506231 /nfs/dbraw/zinc/50/62/31/1049506231.db2.gz KBLIUVZDXFEJAD-CYBMUJFWSA-N 1 2 300.352 4.420 20 30 DIEDLO CC(=[NH+]Nc1ccnc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000863180687 1049538338 /nfs/dbraw/zinc/53/83/38/1049538338.db2.gz HDDMCZCULPGHGE-UHFFFAOYSA-N 1 2 322.334 4.003 20 30 DIEDLO FC(F)(F)c1cc(N[NH+]=C2CCCNc3ccccc32)ccn1 ZINC000863182010 1049541060 /nfs/dbraw/zinc/54/10/60/1049541060.db2.gz WFAQXJXVEQZUMR-UHFFFAOYSA-N 1 2 320.318 4.122 20 30 DIEDLO CC(C)c1cccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c1 ZINC000863195834 1049541368 /nfs/dbraw/zinc/54/13/68/1049541368.db2.gz OCPXGDUFDYDICQ-CMDGGOBGSA-N 1 2 314.454 4.224 20 30 DIEDLO Fc1cc(N[NH+]=C2CCCNc3ccccc32)cc(F)c1F ZINC000774393977 1049656729 /nfs/dbraw/zinc/65/67/29/1049656729.db2.gz NTWCRIFFXVIPBX-UHFFFAOYSA-N 1 2 305.303 4.126 20 30 DIEDLO C#CC[N@@H+](CC)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000490820255 1049867474 /nfs/dbraw/zinc/86/74/74/1049867474.db2.gz MPNOHMSHQPIURR-SNVBAGLBSA-N 1 2 324.211 4.060 20 30 DIEDLO C#CC[N@H+](CC)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000490820255 1049867480 /nfs/dbraw/zinc/86/74/80/1049867480.db2.gz MPNOHMSHQPIURR-SNVBAGLBSA-N 1 2 324.211 4.060 20 30 DIEDLO C=CCCCCC[N@@H+]1CCc2nc(Br)sc2C1 ZINC001209427561 1050057657 /nfs/dbraw/zinc/05/76/57/1050057657.db2.gz SPEBOEHDLYCSAV-UHFFFAOYSA-N 1 2 315.280 4.010 20 30 DIEDLO C=CCCCCC[N@H+]1CCc2nc(Br)sc2C1 ZINC001209427561 1050057661 /nfs/dbraw/zinc/05/76/61/1050057661.db2.gz SPEBOEHDLYCSAV-UHFFFAOYSA-N 1 2 315.280 4.010 20 30 DIEDLO COCC[N@H+](CCC#N)Cc1sc2c(cccc2Cl)c1C ZINC000590349640 1050088903 /nfs/dbraw/zinc/08/89/03/1050088903.db2.gz LOQKJAAHMWTPOL-UHFFFAOYSA-N 1 2 322.861 4.225 20 30 DIEDLO COCC[N@@H+](CCC#N)Cc1sc2c(cccc2Cl)c1C ZINC000590349640 1050088908 /nfs/dbraw/zinc/08/89/08/1050088908.db2.gz LOQKJAAHMWTPOL-UHFFFAOYSA-N 1 2 322.861 4.225 20 30 DIEDLO Oc1ccccc1/C=[NH+]\CCCO[C@@H]1CCCc2ccccc21 ZINC000733750220 1050151643 /nfs/dbraw/zinc/15/16/43/1050151643.db2.gz PZIHUOJIDDRVPR-YLCCHKQJSA-N 1 2 309.409 4.295 20 30 DIEDLO C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770391809 1050154231 /nfs/dbraw/zinc/15/42/31/1050154231.db2.gz QCQVZKLGVLRNKE-ZIBIDDQLSA-N 1 2 318.420 4.035 20 30 DIEDLO C/C(=C/c1ccccc1)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770391809 1050154244 /nfs/dbraw/zinc/15/42/44/1050154244.db2.gz QCQVZKLGVLRNKE-ZIBIDDQLSA-N 1 2 318.420 4.035 20 30 DIEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc2cc(F)ccc2c[nH+]1 ZINC001171061168 1050229253 /nfs/dbraw/zinc/22/92/53/1050229253.db2.gz PKROZHVNDHGEEL-GOSISDBHSA-N 1 2 303.340 4.345 20 30 DIEDLO Cc1[nH+]c(C(C)(C)C)nc(N[C@@H]2CCc3c2cccc3C#N)c1C ZINC001171065013 1050240038 /nfs/dbraw/zinc/24/00/38/1050240038.db2.gz QAPVJGVJGWGEAW-QGZVFWFLSA-N 1 2 320.440 4.362 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc(F)c(OC)c1F ZINC001143321885 1050267880 /nfs/dbraw/zinc/26/78/80/1050267880.db2.gz QUAZEDLZNDIYGG-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(OC)c1F ZINC001143321885 1050267892 /nfs/dbraw/zinc/26/78/92/1050267892.db2.gz QUAZEDLZNDIYGG-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592065716 1050268591 /nfs/dbraw/zinc/26/85/91/1050268591.db2.gz XUBRZEXSHGRFKD-LBPRGKRZSA-N 1 2 319.330 4.165 20 30 DIEDLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592066312 1050268338 /nfs/dbraw/zinc/26/83/38/1050268338.db2.gz ZRCRQNGHGPEOOS-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592066312 1050268350 /nfs/dbraw/zinc/26/83/50/1050268350.db2.gz ZRCRQNGHGPEOOS-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO CC(C)[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(Cl)cc1F ZINC000592101362 1050268543 /nfs/dbraw/zinc/26/85/43/1050268543.db2.gz QYGKUQBLEJEJOU-QGZVFWFLSA-N 1 2 317.795 4.233 20 30 DIEDLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592065716 1050268578 /nfs/dbraw/zinc/26/85/78/1050268578.db2.gz XUBRZEXSHGRFKD-LBPRGKRZSA-N 1 2 319.330 4.165 20 30 DIEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592073096 1050269838 /nfs/dbraw/zinc/26/98/38/1050269838.db2.gz IHFUKTFZKJHVSV-ZDUSSCGKSA-N 1 2 311.816 4.332 20 30 DIEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592073096 1050269845 /nfs/dbraw/zinc/26/98/45/1050269845.db2.gz IHFUKTFZKJHVSV-ZDUSSCGKSA-N 1 2 311.816 4.332 20 30 DIEDLO N#Cc1cnccc1C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000592125651 1050272527 /nfs/dbraw/zinc/27/25/27/1050272527.db2.gz ZCALYJIYUXTRDG-IBGZPJMESA-N 1 2 303.409 4.071 20 30 DIEDLO N#Cc1cnccc1C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000592125651 1050272533 /nfs/dbraw/zinc/27/25/33/1050272533.db2.gz ZCALYJIYUXTRDG-IBGZPJMESA-N 1 2 303.409 4.071 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4cc(Cl)ccc4C3=O)n2c1 ZINC000771860336 1050292987 /nfs/dbraw/zinc/29/29/87/1050292987.db2.gz QVHGATGCUBBAKI-JYRVWZFOSA-N 1 2 308.768 4.119 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4cc(Cl)ccc4C3=O)n2c1 ZINC000771860357 1050294488 /nfs/dbraw/zinc/29/44/88/1050294488.db2.gz QVHGATGCUBBAKI-MDWZMJQESA-N 1 2 308.768 4.119 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]/CCC2CC(OC(C)(C)C)C2)c1 ZINC000760989789 1050326845 /nfs/dbraw/zinc/32/68/45/1050326845.db2.gz GSNFKLVAZWAFMW-DEDYPNTBSA-N 1 2 319.445 4.194 20 30 DIEDLO CCOc1c(F)cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001143745178 1050351204 /nfs/dbraw/zinc/35/12/04/1050351204.db2.gz OLSPOVPRDNFNDO-LBPRGKRZSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1c(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001143745178 1050351218 /nfs/dbraw/zinc/35/12/18/1050351218.db2.gz OLSPOVPRDNFNDO-LBPRGKRZSA-N 1 2 310.800 4.003 20 30 DIEDLO COc1cc(Nc2ccccc2-c2ccc(C#N)cn2)cc(C)[nH+]1 ZINC001210783680 1050369418 /nfs/dbraw/zinc/36/94/18/1050369418.db2.gz JEXFMOYJTXMWAC-UHFFFAOYSA-N 1 2 316.364 4.076 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(F)c1F ZINC001143915067 1050407019 /nfs/dbraw/zinc/40/70/19/1050407019.db2.gz SMJBPVFLMPAXIR-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(F)c1F ZINC001143915067 1050407027 /nfs/dbraw/zinc/40/70/27/1050407027.db2.gz SMJBPVFLMPAXIR-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCCO[C@H]2C(C)(C)C)c(O)c1 ZINC000735619422 1050412585 /nfs/dbraw/zinc/41/25/85/1050412585.db2.gz MVZNJYPXCUNBSW-UDBLOYCBSA-N 1 2 319.445 4.051 20 30 DIEDLO C=CCCC[N@@H+](C)Cn1nc(-c2sccc2C)oc1=S ZINC000736590576 1050483970 /nfs/dbraw/zinc/48/39/70/1050483970.db2.gz XKGVOVWLTGJJCM-UHFFFAOYSA-N 1 2 309.460 4.098 20 30 DIEDLO C=CCCC[N@H+](C)Cn1nc(-c2sccc2C)oc1=S ZINC000736590576 1050483974 /nfs/dbraw/zinc/48/39/74/1050483974.db2.gz XKGVOVWLTGJJCM-UHFFFAOYSA-N 1 2 309.460 4.098 20 30 DIEDLO C=CCC[N@@H+](Cc1n[nH]c2ccc(F)cc21)Cc1ccccc1 ZINC001144199315 1050492274 /nfs/dbraw/zinc/49/22/74/1050492274.db2.gz CTIHPSDXXLIWQH-UHFFFAOYSA-N 1 2 309.388 4.280 20 30 DIEDLO C=CCC[N@H+](Cc1n[nH]c2ccc(F)cc21)Cc1ccccc1 ZINC001144199315 1050492280 /nfs/dbraw/zinc/49/22/80/1050492280.db2.gz CTIHPSDXXLIWQH-UHFFFAOYSA-N 1 2 309.388 4.280 20 30 DIEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(F)c1Cl ZINC001213090884 1050587227 /nfs/dbraw/zinc/58/72/27/1050587227.db2.gz LCYFWSVXNORNIG-UHFFFAOYSA-N 1 2 312.735 4.484 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000739914624 1050596144 /nfs/dbraw/zinc/59/61/44/1050596144.db2.gz MCGGYBYKVMSDMB-UHFFFAOYSA-N 1 2 317.820 4.367 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000739914624 1050596156 /nfs/dbraw/zinc/59/61/56/1050596156.db2.gz MCGGYBYKVMSDMB-UHFFFAOYSA-N 1 2 317.820 4.367 20 30 DIEDLO N#CC1(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CCCCC1 ZINC000595090618 1050608926 /nfs/dbraw/zinc/60/89/26/1050608926.db2.gz JGAIJSGCGLYZPU-LJQANCHMSA-N 1 2 323.415 4.374 20 30 DIEDLO CC(C)Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000740763356 1050624245 /nfs/dbraw/zinc/62/42/45/1050624245.db2.gz AEVBQKNOXWADML-KHPPLWFESA-N 1 2 304.393 4.429 20 30 DIEDLO CSc1ccc2c(c1)CC/C(=C/c1c[nH+]c3ccccn13)C2=O ZINC000740765244 1050625752 /nfs/dbraw/zinc/62/57/52/1050625752.db2.gz SYBOPGABRRPLNG-UVTDQMKNSA-N 1 2 320.417 4.269 20 30 DIEDLO C#CC(C)(C)[N@H+](C)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000788000262 1050635541 /nfs/dbraw/zinc/63/55/41/1050635541.db2.gz SKYQPZCOEQSRBU-UHFFFAOYSA-N 1 2 318.873 4.231 20 30 DIEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000788000262 1050635552 /nfs/dbraw/zinc/63/55/52/1050635552.db2.gz SKYQPZCOEQSRBU-UHFFFAOYSA-N 1 2 318.873 4.231 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000595611585 1050658821 /nfs/dbraw/zinc/65/88/21/1050658821.db2.gz LNUNLXKTFRZXRH-AWEZNQCLSA-N 1 2 303.475 4.316 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000595611585 1050658826 /nfs/dbraw/zinc/65/88/26/1050658826.db2.gz LNUNLXKTFRZXRH-AWEZNQCLSA-N 1 2 303.475 4.316 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)ccc1F ZINC000595673920 1050660306 /nfs/dbraw/zinc/66/03/06/1050660306.db2.gz GIVMMADTMXPCTO-SFHVURJKSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1cc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)ccc1F ZINC000595673920 1050660321 /nfs/dbraw/zinc/66/03/21/1050660321.db2.gz GIVMMADTMXPCTO-SFHVURJKSA-N 1 2 310.372 4.408 20 30 DIEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001213495192 1050670084 /nfs/dbraw/zinc/67/00/84/1050670084.db2.gz VNVKVOKFWCDMCZ-UHFFFAOYSA-N 1 2 318.302 4.297 20 30 DIEDLO CC[N@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000595813081 1050670086 /nfs/dbraw/zinc/67/00/86/1050670086.db2.gz KHSDNIAFUPTWSG-CYBMUJFWSA-N 1 2 314.351 4.098 20 30 DIEDLO CC[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000595813081 1050670093 /nfs/dbraw/zinc/67/00/93/1050670093.db2.gz KHSDNIAFUPTWSG-CYBMUJFWSA-N 1 2 314.351 4.098 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(C#N)cc3Cl)n2c1 ZINC000788361056 1050673454 /nfs/dbraw/zinc/67/34/54/1050673454.db2.gz SJPQGQAYZNIHPT-XQRVVYSFSA-N 1 2 321.767 4.064 20 30 DIEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cc(F)c(F)c(C#N)c1F ZINC001213503742 1050674836 /nfs/dbraw/zinc/67/48/36/1050674836.db2.gz VTMPXPUBYRYZIU-UHFFFAOYSA-N 1 2 303.287 4.300 20 30 DIEDLO C=CCCCCCCCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001144798017 1050715747 /nfs/dbraw/zinc/71/57/47/1050715747.db2.gz YFCXRRAIUYRXNN-UHFFFAOYSA-N 1 2 317.477 4.353 20 30 DIEDLO C=CCCCCCCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001144797694 1050716154 /nfs/dbraw/zinc/71/61/54/1050716154.db2.gz IZINBLPZQOAHMP-KRWDZBQOSA-N 1 2 317.477 4.423 20 30 DIEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)s1 ZINC000737442223 1050724927 /nfs/dbraw/zinc/72/49/27/1050724927.db2.gz AGKJREFYCSCVKW-PLNGDYQASA-N 1 2 302.786 4.254 20 30 DIEDLO CN(c1ccc(Nc2ccc(C#N)cc2O)c[nH+]1)C1CCCCC1 ZINC001212615155 1050812031 /nfs/dbraw/zinc/81/20/31/1050812031.db2.gz JYEUOIGIIKVWHK-UHFFFAOYSA-N 1 2 322.412 4.171 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000597228177 1050826774 /nfs/dbraw/zinc/82/67/74/1050826774.db2.gz ATVJZKNYAJUEEV-KRWDZBQOSA-N 1 2 300.789 4.336 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000597228177 1050826787 /nfs/dbraw/zinc/82/67/87/1050826787.db2.gz ATVJZKNYAJUEEV-KRWDZBQOSA-N 1 2 300.789 4.336 20 30 DIEDLO CC(=[NH+]Nc1ncccc1C)c1ccc(N2CCCCC2)cc1 ZINC000790186716 1050923126 /nfs/dbraw/zinc/92/31/26/1050923126.db2.gz PWWTYOIJFRCBQR-UHFFFAOYSA-N 1 2 308.429 4.216 20 30 DIEDLO CC[C@@H](C)N[NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000790183319 1050928390 /nfs/dbraw/zinc/92/83/90/1050928390.db2.gz LVSUKBVYLTVGMB-SNVBAGLBSA-N 1 2 308.838 4.262 20 30 DIEDLO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000746888135 1050936906 /nfs/dbraw/zinc/93/69/06/1050936906.db2.gz NTSKVOAJPKBSRW-LJQANCHMSA-N 1 2 315.338 4.293 20 30 DIEDLO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000746888135 1050936910 /nfs/dbraw/zinc/93/69/10/1050936910.db2.gz NTSKVOAJPKBSRW-LJQANCHMSA-N 1 2 315.338 4.293 20 30 DIEDLO Cc1ccc([C@@H]2OCCC[C@@H]2C/[NH+]=C/c2ccccc2O)cc1 ZINC000743045688 1050978160 /nfs/dbraw/zinc/97/81/60/1050978160.db2.gz UAYSIVXYFJEBAV-MJWAHQGTSA-N 1 2 309.409 4.287 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(-c2ccc(F)cc2)no1 ZINC000348127842 1050991718 /nfs/dbraw/zinc/99/17/18/1050991718.db2.gz UCSHRTJLQYHGOF-UHFFFAOYSA-N 1 2 315.392 4.242 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(-c2ccc(F)cc2)no1 ZINC000348127842 1050991725 /nfs/dbraw/zinc/99/17/25/1050991725.db2.gz UCSHRTJLQYHGOF-UHFFFAOYSA-N 1 2 315.392 4.242 20 30 DIEDLO CCC(=NNc1cc[nH+]c2ccccc12)c1cc(F)ccc1F ZINC000743439795 1051033727 /nfs/dbraw/zinc/03/37/27/1051033727.db2.gz MKEOJNMGUVVXIB-UHFFFAOYSA-N 1 2 311.335 4.161 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC001171374441 1051039627 /nfs/dbraw/zinc/03/96/27/1051039627.db2.gz SCAXPEBNXVSHOI-INIZCTEOSA-N 1 2 323.440 4.420 20 30 DIEDLO CCOc1ccc(/C=[NH+]\CCc2ccc3ccccc3n2)c(O)c1 ZINC000743538150 1051042397 /nfs/dbraw/zinc/04/23/97/1051042397.db2.gz GUVZBLWRKJIONN-STZFKDTASA-N 1 2 320.392 4.001 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000792233078 1051128290 /nfs/dbraw/zinc/12/82/90/1051128290.db2.gz VJLLYYQMBBEUAZ-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000792233078 1051128294 /nfs/dbraw/zinc/12/82/94/1051128294.db2.gz VJLLYYQMBBEUAZ-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO Oc1ccc(C[N@H+](CC#Cc2ccccc2)Cc2ccco2)cc1 ZINC000792246890 1051128415 /nfs/dbraw/zinc/12/84/15/1051128415.db2.gz AYGGUMHAIQNOCE-UHFFFAOYSA-N 1 2 317.388 4.039 20 30 DIEDLO Oc1ccc(C[N@@H+](CC#Cc2ccccc2)Cc2ccco2)cc1 ZINC000792246890 1051128421 /nfs/dbraw/zinc/12/84/21/1051128421.db2.gz AYGGUMHAIQNOCE-UHFFFAOYSA-N 1 2 317.388 4.039 20 30 DIEDLO Cc1ccc(CC[C@@H](C)[N@H+](CCC#N)Cc2cccnc2)cc1 ZINC001171670554 1051189483 /nfs/dbraw/zinc/18/94/83/1051189483.db2.gz LSAFMOPOLFNWLB-GOSISDBHSA-N 1 2 307.441 4.127 20 30 DIEDLO Cc1ccc(CC[C@@H](C)[N@@H+](CCC#N)Cc2cccnc2)cc1 ZINC001171670554 1051189492 /nfs/dbraw/zinc/18/94/92/1051189492.db2.gz LSAFMOPOLFNWLB-GOSISDBHSA-N 1 2 307.441 4.127 20 30 DIEDLO CCCCCCC[C@H](CC)[NH2+][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001172357063 1051372668 /nfs/dbraw/zinc/37/26/68/1051372668.db2.gz IZBHFJPNKPWTSR-QFBILLFUSA-N 1 2 321.461 4.005 20 30 DIEDLO C[C@H](CCCC#N)[N@@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001172506424 1051424122 /nfs/dbraw/zinc/42/41/22/1051424122.db2.gz UBRUAHNGHRHDGE-NVXWUHKLSA-N 1 2 306.400 4.269 20 30 DIEDLO C[C@H](CCCC#N)[N@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001172506424 1051424129 /nfs/dbraw/zinc/42/41/29/1051424129.db2.gz UBRUAHNGHRHDGE-NVXWUHKLSA-N 1 2 306.400 4.269 20 30 DIEDLO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001172506426 1051425502 /nfs/dbraw/zinc/42/55/02/1051425502.db2.gz UBRUAHNGHRHDGE-WBVHZDCISA-N 1 2 306.400 4.269 20 30 DIEDLO C[C@H](CCCC#N)[N@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001172506426 1051425504 /nfs/dbraw/zinc/42/55/04/1051425504.db2.gz UBRUAHNGHRHDGE-WBVHZDCISA-N 1 2 306.400 4.269 20 30 DIEDLO CC(C)[C@@H]1c2ccccc2C(=O)/C1=C\c1cccc2[nH+]ccn21 ZINC000766507695 1051450484 /nfs/dbraw/zinc/45/04/84/1051450484.db2.gz WLMJIOVIATYKQE-LYPXWFNGSA-N 1 2 302.377 4.354 20 30 DIEDLO C=CCC[C@H](C(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC001129593934 1051453505 /nfs/dbraw/zinc/45/35/05/1051453505.db2.gz ILKWMFCUKFVMNB-KRWDZBQOSA-N 1 2 305.381 4.023 20 30 DIEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001172579187 1051463143 /nfs/dbraw/zinc/46/31/43/1051463143.db2.gz WJNKOLLZNKNARB-BZNIZROVSA-N 1 2 312.791 4.175 20 30 DIEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001172579187 1051463147 /nfs/dbraw/zinc/46/31/47/1051463147.db2.gz WJNKOLLZNKNARB-BZNIZROVSA-N 1 2 312.791 4.175 20 30 DIEDLO C=C(C)CCc1ccccc1NCCc1cn2ccccc2[nH+]1 ZINC001169003245 1051485485 /nfs/dbraw/zinc/48/54/85/1051485485.db2.gz BGTYNICDDSOBOI-UHFFFAOYSA-N 1 2 305.425 4.498 20 30 DIEDLO N#Cc1cc(Cl)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697621 1051586655 /nfs/dbraw/zinc/58/66/55/1051586655.db2.gz KEMDECMPWPNOBO-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO CC(C)(C#N)c1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212697730 1051588012 /nfs/dbraw/zinc/58/80/12/1051588012.db2.gz QDSMNMYCLDDKGI-UHFFFAOYSA-N 1 2 316.408 4.476 20 30 DIEDLO Cc1cccc2c1[C@@H](C)/C(=C\c1c[nH+]c3cccc(C)n13)C2=O ZINC000766694327 1051611659 /nfs/dbraw/zinc/61/16/59/1051611659.db2.gz DANUPQHHFCMRHG-FBJMNJBLSA-N 1 2 302.377 4.335 20 30 DIEDLO CCCCCCCCC/C=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804331803 1051653210 /nfs/dbraw/zinc/65/32/10/1051653210.db2.gz DDCGGZUGEDQVBX-SXSDINLZSA-N 1 2 317.477 4.011 20 30 DIEDLO C[C@H]1CCCCN1c1cccc(NC2=CC(=O)CC(C)(C)C2)[nH+]1 ZINC001169947275 1051734886 /nfs/dbraw/zinc/73/48/86/1051734886.db2.gz WXRMREJYDMGDGC-AWEZNQCLSA-N 1 2 313.445 4.145 20 30 DIEDLO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(Cl)c1O ZINC000806147254 1051755804 /nfs/dbraw/zinc/75/58/04/1051755804.db2.gz HFFHXRRQCSIQPC-INIZCTEOSA-N 1 2 318.779 4.297 20 30 DIEDLO N#Cc1ccc(C[N@@H+](C/C=C\Cl)Cc2cccc(F)c2)cc1 ZINC000767888238 1051857786 /nfs/dbraw/zinc/85/77/86/1051857786.db2.gz BAJOBIKPIJYDCM-MBXJOHMKSA-N 1 2 314.791 4.452 20 30 DIEDLO N#Cc1ccc(C[N@H+](C/C=C\Cl)Cc2cccc(F)c2)cc1 ZINC000767888238 1051857801 /nfs/dbraw/zinc/85/78/01/1051857801.db2.gz BAJOBIKPIJYDCM-MBXJOHMKSA-N 1 2 314.791 4.452 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2ccc(Br)cc2C#N)c1 ZINC000404496834 1051874226 /nfs/dbraw/zinc/87/42/26/1051874226.db2.gz VTNZIJLXJLHAMH-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000769164916 1052005128 /nfs/dbraw/zinc/00/51/28/1052005128.db2.gz VQNFVHNDVYDPRK-STXHMFSFSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000769164916 1052005143 /nfs/dbraw/zinc/00/51/43/1052005143.db2.gz VQNFVHNDVYDPRK-STXHMFSFSA-N 1 2 324.399 4.048 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc2c(c1)CCCC2 ZINC000769609098 1052086564 /nfs/dbraw/zinc/08/65/64/1052086564.db2.gz WSVJUEBBTIVELI-KHPPLWFESA-N 1 2 302.377 4.109 20 30 DIEDLO CSc1ccc2c(c1)CC/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000769609212 1052088000 /nfs/dbraw/zinc/08/80/00/1052088000.db2.gz ICKPOIMCUOECFE-KAMYIIQDSA-N 1 2 320.417 4.269 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494799815 1052107631 /nfs/dbraw/zinc/10/76/31/1052107631.db2.gz LUCPRABIULIMKD-UHFFFAOYSA-N 1 2 320.776 4.072 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494799815 1052107638 /nfs/dbraw/zinc/10/76/38/1052107638.db2.gz LUCPRABIULIMKD-UHFFFAOYSA-N 1 2 320.776 4.072 20 30 DIEDLO N#C[C@@H](Oc1ccc[nH+]c1N)c1cccc(Oc2ccccc2)c1 ZINC001218300278 1052219939 /nfs/dbraw/zinc/21/99/39/1052219939.db2.gz MVZBKXPDSLLJEY-GOSISDBHSA-N 1 2 317.348 4.100 20 30 DIEDLO Cc1cccn2c(/C=C3/Cc4ccc(Cl)cc4C3=O)c[nH+]c12 ZINC000762446843 1052382806 /nfs/dbraw/zinc/38/28/06/1052382806.db2.gz LUMSHPFXOAFOOL-JYRVWZFOSA-N 1 2 308.768 4.119 20 30 DIEDLO C=CC[N@H+](Cc1csc(COc2ccc(F)cc2)n1)C(C)C ZINC000917071169 1052692593 /nfs/dbraw/zinc/69/25/93/1052692593.db2.gz PDOPTEATIPUUQO-UHFFFAOYSA-N 1 2 320.433 4.258 20 30 DIEDLO C=CC[N@@H+](Cc1csc(COc2ccc(F)cc2)n1)C(C)C ZINC000917071169 1052692595 /nfs/dbraw/zinc/69/25/95/1052692595.db2.gz PDOPTEATIPUUQO-UHFFFAOYSA-N 1 2 320.433 4.258 20 30 DIEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000919647725 1052879009 /nfs/dbraw/zinc/87/90/09/1052879009.db2.gz LBTBFEAPSNWHLS-CYBMUJFWSA-N 1 2 300.627 4.386 20 30 DIEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000919647725 1052879011 /nfs/dbraw/zinc/87/90/11/1052879011.db2.gz LBTBFEAPSNWHLS-CYBMUJFWSA-N 1 2 300.627 4.386 20 30 DIEDLO N#CC1(c2ccc(Nc3ccc[nH+]c3N3CCCCC3)cc2)CC1 ZINC001212247470 1052924856 /nfs/dbraw/zinc/92/48/56/1052924856.db2.gz LAVQFNQVYPBWQS-UHFFFAOYSA-N 1 2 318.424 4.371 20 30 DIEDLO Fc1cc(F)cc(N[NH+]=Cc2ccc(N3CCCCC3)s2)c1 ZINC000920375144 1052936292 /nfs/dbraw/zinc/93/62/92/1052936292.db2.gz SVYFVEAHPJFXNA-UHFFFAOYSA-N 1 2 321.396 4.463 20 30 DIEDLO CCOc1cccc(/C=[NH+]\CCCn2ccc3ccccc32)c1O ZINC000920944305 1052955862 /nfs/dbraw/zinc/95/58/62/1052955862.db2.gz LMOJJHHYZMNLFR-QNGOZBTKSA-N 1 2 322.408 4.255 20 30 DIEDLO N#CC1(c2ccc(Nc3[nH+]cccc3N3CCCCC3)cc2)CC1 ZINC001212251423 1052957259 /nfs/dbraw/zinc/95/72/59/1052957259.db2.gz BKELAARDVZSTFM-UHFFFAOYSA-N 1 2 318.424 4.371 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(OC)c(F)c1)Cc1ccccc1F ZINC000615464094 1053019463 /nfs/dbraw/zinc/01/94/63/1053019463.db2.gz WNEVHPSTKMZYKN-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CC[N@H+](Cc1ccc(OC)c(F)c1)Cc1ccccc1F ZINC000615464094 1053019465 /nfs/dbraw/zinc/01/94/65/1053019465.db2.gz WNEVHPSTKMZYKN-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cc(F)ccc1F ZINC000179799055 1053027986 /nfs/dbraw/zinc/02/79/86/1053027986.db2.gz LEBYOCHVINYXRB-KRWDZBQOSA-N 1 2 304.315 4.216 20 30 DIEDLO C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cc3c(cc2OC)CC[NH+]=C3)C1 ZINC001228089821 1053042729 /nfs/dbraw/zinc/04/27/29/1053042729.db2.gz KYCQBCMXCMQXFB-QAPCUYQASA-N 1 2 311.425 4.350 20 30 DIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000616731130 1053070169 /nfs/dbraw/zinc/07/01/69/1053070169.db2.gz MNJTXKACTWTDLJ-SFHVURJKSA-N 1 2 316.351 4.350 20 30 DIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000616731130 1053070181 /nfs/dbraw/zinc/07/01/81/1053070181.db2.gz MNJTXKACTWTDLJ-SFHVURJKSA-N 1 2 316.351 4.350 20 30 DIEDLO C=C[C@]1(C)CC[C@H](Oc2ccc3[nH]c(C)[nH+]c3c2)C(C)(C)O1 ZINC001228328186 1053075841 /nfs/dbraw/zinc/07/58/41/1053075841.db2.gz CHOLYMLHUUCUNM-FUHWJXTLSA-N 1 2 300.402 4.152 20 30 DIEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(SC(C)C)cc1 ZINC000901472944 1053168993 /nfs/dbraw/zinc/16/89/93/1053168993.db2.gz XAWPDJKUIYRXFW-JXMROGBWSA-N 1 2 300.427 4.300 20 30 DIEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)cc1OC(F)F ZINC001320052659 1053298646 /nfs/dbraw/zinc/29/86/46/1053298646.db2.gz QHQBJXYQYNHWOI-NSHDSACASA-N 1 2 320.314 4.150 20 30 DIEDLO C=CCOc1ccc(C[N@@H+](Cc2cc(C)[nH]n2)C(C)(C)C)cc1 ZINC001320474981 1053338003 /nfs/dbraw/zinc/33/80/03/1053338003.db2.gz CFFBYWRDCJXLPM-UHFFFAOYSA-N 1 2 313.445 4.084 20 30 DIEDLO C=CCOc1ccc(C[N@H+](Cc2cc(C)[nH]n2)C(C)(C)C)cc1 ZINC001320474981 1053338014 /nfs/dbraw/zinc/33/80/14/1053338014.db2.gz CFFBYWRDCJXLPM-UHFFFAOYSA-N 1 2 313.445 4.084 20 30 DIEDLO CC(C)(C)n1c2ccccc2[nH+]c1NCc1ccc(C#N)s1 ZINC001321646053 1053426117 /nfs/dbraw/zinc/42/61/17/1053426117.db2.gz VCPYTZZKVUJQEV-UHFFFAOYSA-N 1 2 310.426 4.337 20 30 DIEDLO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1F ZINC000619725148 1053540127 /nfs/dbraw/zinc/54/01/27/1053540127.db2.gz CBRRQYGWPRKDAC-ZWKOTPCHSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1F ZINC000619725148 1053540136 /nfs/dbraw/zinc/54/01/36/1053540136.db2.gz CBRRQYGWPRKDAC-ZWKOTPCHSA-N 1 2 324.399 4.106 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 ZINC001323089416 1053565765 /nfs/dbraw/zinc/56/57/65/1053565765.db2.gz XGJMFFGYVVCLEP-JXMROGBWSA-N 1 2 320.314 4.063 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cc(Cl)cc(Cl)c1 ZINC001323544680 1053589458 /nfs/dbraw/zinc/58/94/58/1053589458.db2.gz IHVVFNSPUJLEGD-WAYWQWQTSA-N 1 2 321.207 4.351 20 30 DIEDLO C=CCCCCCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000326596948 1053619525 /nfs/dbraw/zinc/61/95/25/1053619525.db2.gz FHKZDHPRKVZAKB-UHFFFAOYSA-N 1 2 321.428 4.364 20 30 DIEDLO C=C[C@]1(C)CC[C@@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)C(C)(C)O1 ZINC001231081247 1053669768 /nfs/dbraw/zinc/66/97/68/1053669768.db2.gz KAQLJUQDNIEAMO-VQIMIIECSA-N 1 2 312.413 4.358 20 30 DIEDLO Cc1cc2cc(C(=O)/C=C\c3ccc[nH+]c3N(C)C)oc2cc1C ZINC001324705499 1053673397 /nfs/dbraw/zinc/67/33/97/1053673397.db2.gz CGOXWHVQMMXJPE-FPLPWBNLSA-N 1 2 320.392 4.407 20 30 DIEDLO CCCCCCCCCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC001327609093 1053869290 /nfs/dbraw/zinc/86/92/90/1053869290.db2.gz IGMDRRDVGLYQMP-UHFFFAOYSA-N 1 2 305.466 4.146 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C1 ZINC001231857300 1053890578 /nfs/dbraw/zinc/89/05/78/1053890578.db2.gz NAHVCSZDGPWFKN-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C1 ZINC001231857300 1053890588 /nfs/dbraw/zinc/89/05/88/1053890588.db2.gz NAHVCSZDGPWFKN-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO Cc1cc(O)c(C[N@H+](CCC#N)Cc2ccccc2)cc1Cl ZINC001231869280 1053898792 /nfs/dbraw/zinc/89/87/92/1053898792.db2.gz OWDKSFCWIRTRMG-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO Cc1cc(O)c(C[N@@H+](CCC#N)Cc2ccccc2)cc1Cl ZINC001231869280 1053898817 /nfs/dbraw/zinc/89/88/17/1053898817.db2.gz OWDKSFCWIRTRMG-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC2CCCCC2)nc1 ZINC001231877115 1053903086 /nfs/dbraw/zinc/90/30/86/1053903086.db2.gz WIOWHQZRYRHUCN-UHFFFAOYSA-N 1 2 315.461 4.309 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC2CCCCC2)nc1 ZINC001231877115 1053903093 /nfs/dbraw/zinc/90/30/93/1053903093.db2.gz WIOWHQZRYRHUCN-UHFFFAOYSA-N 1 2 315.461 4.309 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccnc2c(F)cccc12 ZINC001232207391 1053988094 /nfs/dbraw/zinc/98/80/94/1053988094.db2.gz IIYFUFCBAKBCEP-UHFFFAOYSA-N 1 2 319.383 4.290 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccnc2c(F)cccc12 ZINC001232207391 1053988105 /nfs/dbraw/zinc/98/81/05/1053988105.db2.gz IIYFUFCBAKBCEP-UHFFFAOYSA-N 1 2 319.383 4.290 20 30 DIEDLO Cc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1OCc1ccccc1 ZINC001232401727 1054040314 /nfs/dbraw/zinc/04/03/14/1054040314.db2.gz NVJAQXOLLGJQKD-NRFANRHFSA-N 1 2 320.436 4.310 20 30 DIEDLO Cc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1OCc1ccccc1 ZINC001232401727 1054040320 /nfs/dbraw/zinc/04/03/20/1054040320.db2.gz NVJAQXOLLGJQKD-NRFANRHFSA-N 1 2 320.436 4.310 20 30 DIEDLO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001232479175 1054052698 /nfs/dbraw/zinc/05/26/98/1054052698.db2.gz NZFUVPCYHHZOFY-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001232479175 1054052712 /nfs/dbraw/zinc/05/27/12/1054052712.db2.gz NZFUVPCYHHZOFY-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001232678408 1054097434 /nfs/dbraw/zinc/09/74/34/1054097434.db2.gz XZBZNYUWBQUJLF-KRWDZBQOSA-N 1 2 312.800 4.254 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001232678408 1054097441 /nfs/dbraw/zinc/09/74/41/1054097441.db2.gz XZBZNYUWBQUJLF-KRWDZBQOSA-N 1 2 312.800 4.254 20 30 DIEDLO Cc1cc(C)cc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2O)c1 ZINC001232678296 1054099357 /nfs/dbraw/zinc/09/93/57/1054099357.db2.gz TZBYIUHSGRHDKQ-IBGZPJMESA-N 1 2 306.409 4.218 20 30 DIEDLO Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2O)c1 ZINC001232678296 1054099368 /nfs/dbraw/zinc/09/93/68/1054099368.db2.gz TZBYIUHSGRHDKQ-IBGZPJMESA-N 1 2 306.409 4.218 20 30 DIEDLO CCc1nc([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cs1 ZINC000184707065 1054129606 /nfs/dbraw/zinc/12/96/06/1054129606.db2.gz MAQFQBANVRPWBB-GFCCVEGCSA-N 1 2 304.846 4.061 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCSC[C@H]2c2ccc(F)cc2)s1 ZINC001232845676 1054129610 /nfs/dbraw/zinc/12/96/10/1054129610.db2.gz JHCXWIMSPOUHMM-INIZCTEOSA-N 1 2 318.442 4.049 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2c2ccc(F)cc2)s1 ZINC001232845676 1054129615 /nfs/dbraw/zinc/12/96/15/1054129615.db2.gz JHCXWIMSPOUHMM-INIZCTEOSA-N 1 2 318.442 4.049 20 30 DIEDLO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2C#N)c1 ZINC001232891951 1054141370 /nfs/dbraw/zinc/14/13/70/1054141370.db2.gz VLUIUDNUBJVWJJ-FQEVSTJZSA-N 1 2 324.399 4.433 20 30 DIEDLO COc1cccc([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2C#N)c1 ZINC001232891951 1054141377 /nfs/dbraw/zinc/14/13/77/1054141377.db2.gz VLUIUDNUBJVWJJ-FQEVSTJZSA-N 1 2 324.399 4.433 20 30 DIEDLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)c(C#N)c1 ZINC001232966084 1054157996 /nfs/dbraw/zinc/15/79/96/1054157996.db2.gz GCXDSDDQPKLNKP-IBGZPJMESA-N 1 2 312.363 4.482 20 30 DIEDLO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)c(C#N)c1 ZINC001232966084 1054158007 /nfs/dbraw/zinc/15/80/07/1054158007.db2.gz GCXDSDDQPKLNKP-IBGZPJMESA-N 1 2 312.363 4.482 20 30 DIEDLO N#Cc1cc[nH]c1C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001233046701 1054177900 /nfs/dbraw/zinc/17/79/00/1054177900.db2.gz GWHWQUCPILYMCF-NRFANRHFSA-N 1 2 313.404 4.034 20 30 DIEDLO N#Cc1cc[nH]c1C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001233046701 1054177903 /nfs/dbraw/zinc/17/79/03/1054177903.db2.gz GWHWQUCPILYMCF-NRFANRHFSA-N 1 2 313.404 4.034 20 30 DIEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001233046622 1054178168 /nfs/dbraw/zinc/17/81/68/1054178168.db2.gz DABCTGVTBLKOKP-ZDUSSCGKSA-N 1 2 320.223 4.183 20 30 DIEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001233046622 1054178178 /nfs/dbraw/zinc/17/81/78/1054178178.db2.gz DABCTGVTBLKOKP-ZDUSSCGKSA-N 1 2 320.223 4.183 20 30 DIEDLO C=CCC[N@H+](Cc1ccccc1)Cc1c(F)ccc(O)c1F ZINC001233395633 1054260021 /nfs/dbraw/zinc/26/00/21/1054260021.db2.gz GWIJORXXRQQCNW-UHFFFAOYSA-N 1 2 303.352 4.249 20 30 DIEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(OCc2ccccc2)c1 ZINC001233644937 1054320545 /nfs/dbraw/zinc/32/05/45/1054320545.db2.gz BFNSMSGWFIFMDR-OAQYLSRUSA-N 1 2 320.436 4.310 20 30 DIEDLO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(OCc2ccccc2)c1 ZINC001233644937 1054320558 /nfs/dbraw/zinc/32/05/58/1054320558.db2.gz BFNSMSGWFIFMDR-OAQYLSRUSA-N 1 2 320.436 4.310 20 30 DIEDLO Fc1ccccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000172254279 1054421763 /nfs/dbraw/zinc/42/17/63/1054421763.db2.gz AAMIPZBISQERPZ-UHFFFAOYSA-N 1 2 315.232 4.142 20 30 DIEDLO Fc1ccccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000172254279 1054421768 /nfs/dbraw/zinc/42/17/68/1054421768.db2.gz AAMIPZBISQERPZ-UHFFFAOYSA-N 1 2 315.232 4.142 20 30 DIEDLO COc1cc(C)[nH+]c(CSCc2ccc(Cl)cc2C#N)c1 ZINC001342915515 1054434294 /nfs/dbraw/zinc/43/42/94/1054434294.db2.gz PDQKJBUPBUSWSH-UHFFFAOYSA-N 1 2 318.829 4.357 20 30 DIEDLO N#Cc1cccc(CSCc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001343547869 1054448081 /nfs/dbraw/zinc/44/80/81/1054448081.db2.gz PFAWDOGZLJCGNZ-UHFFFAOYSA-N 1 2 323.396 4.316 20 30 DIEDLO COc1ccccc1Sc1ccc(C[N@H+](C)CCC#N)cc1 ZINC001234308390 1054495119 /nfs/dbraw/zinc/49/51/19/1054495119.db2.gz HXFZRIHYFZVNIJ-UHFFFAOYSA-N 1 2 312.438 4.192 20 30 DIEDLO COc1ccccc1Sc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC001234308390 1054495122 /nfs/dbraw/zinc/49/51/22/1054495122.db2.gz HXFZRIHYFZVNIJ-UHFFFAOYSA-N 1 2 312.438 4.192 20 30 DIEDLO N#CCC[N@@H+](Cc1nc(Cl)ccc1N)C1CCCCCCC1 ZINC001235664323 1054764667 /nfs/dbraw/zinc/76/46/67/1054764667.db2.gz QQRCLXDDSJSSHJ-UHFFFAOYSA-N 1 2 320.868 4.146 20 30 DIEDLO N#CCC[N@H+](Cc1nc(Cl)ccc1N)C1CCCCCCC1 ZINC001235664323 1054764682 /nfs/dbraw/zinc/76/46/82/1054764682.db2.gz QQRCLXDDSJSSHJ-UHFFFAOYSA-N 1 2 320.868 4.146 20 30 DIEDLO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC001349616971 1054774382 /nfs/dbraw/zinc/77/43/82/1054774382.db2.gz YFHZBJSXWFSMAU-UHFFFAOYSA-N 1 2 309.413 4.337 20 30 DIEDLO N#CCC1CC[NH+](Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001236660702 1055218408 /nfs/dbraw/zinc/21/84/08/1055218408.db2.gz CYDYZYZTHNDMFB-UHFFFAOYSA-N 1 2 301.192 4.258 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237342576 1055434324 /nfs/dbraw/zinc/43/43/24/1055434324.db2.gz LRQCIPSADXUZTP-UHFFFAOYSA-N 1 2 317.433 4.159 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237342576 1055434326 /nfs/dbraw/zinc/43/43/26/1055434326.db2.gz LRQCIPSADXUZTP-UHFFFAOYSA-N 1 2 317.433 4.159 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(F)c2cccnc12 ZINC001237422809 1055451199 /nfs/dbraw/zinc/45/11/99/1055451199.db2.gz KIZXGUGCVWXTEH-UHFFFAOYSA-N 1 2 319.383 4.290 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c2cccnc12 ZINC001237422809 1055451204 /nfs/dbraw/zinc/45/12/04/1055451204.db2.gz KIZXGUGCVWXTEH-UHFFFAOYSA-N 1 2 319.383 4.290 20 30 DIEDLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530031 1055470078 /nfs/dbraw/zinc/47/00/78/1055470078.db2.gz MEIWPBPMUHUGPQ-IBGZPJMESA-N 1 2 312.363 4.346 20 30 DIEDLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530031 1055470082 /nfs/dbraw/zinc/47/00/82/1055470082.db2.gz MEIWPBPMUHUGPQ-IBGZPJMESA-N 1 2 312.363 4.346 20 30 DIEDLO C[N@H+](Cc1cc(Cl)cc(C#N)c1)Cc1cccc(F)c1F ZINC001237753786 1055521528 /nfs/dbraw/zinc/52/15/28/1055521528.db2.gz HALMJSDKQPPTFS-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)Cc1cccc(F)c1F ZINC001237753786 1055521542 /nfs/dbraw/zinc/52/15/42/1055521542.db2.gz HALMJSDKQPPTFS-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO Cc1cc(C#N)ccc1C[NH+](Cc1ccco1)Cc1ccco1 ZINC000186159032 1055555143 /nfs/dbraw/zinc/55/51/43/1055555143.db2.gz RSTVMMQNVZKGDL-UHFFFAOYSA-N 1 2 306.365 4.255 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238071077 1055600517 /nfs/dbraw/zinc/60/05/17/1055600517.db2.gz VLZBBKSSPSXMDG-LJQANCHMSA-N 1 2 312.457 4.381 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238071077 1055600529 /nfs/dbraw/zinc/60/05/29/1055600529.db2.gz VLZBBKSSPSXMDG-LJQANCHMSA-N 1 2 312.457 4.381 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(C#N)c1)Cc1cccc(F)c1F ZINC001238198966 1055617148 /nfs/dbraw/zinc/61/71/48/1055617148.db2.gz NVXNNSLDOAVSDD-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(C#N)c1)Cc1cccc(F)c1F ZINC001238198966 1055617155 /nfs/dbraw/zinc/61/71/55/1055617155.db2.gz NVXNNSLDOAVSDD-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC(C)Oc1c(F)cccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001238317669 1055638238 /nfs/dbraw/zinc/63/82/38/1055638238.db2.gz DWIJNKHCQYZCQZ-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1c(F)cccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001238317669 1055638246 /nfs/dbraw/zinc/63/82/46/1055638246.db2.gz DWIJNKHCQYZCQZ-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CCOc1ccc(C[N@H+](CCC#N)C2CCCC2)c(Cl)c1 ZINC001238400169 1055651486 /nfs/dbraw/zinc/65/14/86/1055651486.db2.gz OHRPHTUBBSJCCQ-UHFFFAOYSA-N 1 2 306.837 4.397 20 30 DIEDLO CCOc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(Cl)c1 ZINC001238400169 1055651490 /nfs/dbraw/zinc/65/14/90/1055651490.db2.gz OHRPHTUBBSJCCQ-UHFFFAOYSA-N 1 2 306.837 4.397 20 30 DIEDLO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)ccc1Oc1ccc(F)cc1 ZINC001238524853 1055678052 /nfs/dbraw/zinc/67/80/52/1055678052.db2.gz BDGDIUDSOOFUPV-MRXNPFEDSA-N 1 2 310.372 4.272 20 30 DIEDLO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)ccc1Oc1ccc(F)cc1 ZINC001238524853 1055678058 /nfs/dbraw/zinc/67/80/58/1055678058.db2.gz BDGDIUDSOOFUPV-MRXNPFEDSA-N 1 2 310.372 4.272 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001238589743 1055692272 /nfs/dbraw/zinc/69/22/72/1055692272.db2.gz WPLACFGCLJCODN-AWEZNQCLSA-N 1 2 312.363 4.367 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001238589743 1055692275 /nfs/dbraw/zinc/69/22/75/1055692275.db2.gz WPLACFGCLJCODN-AWEZNQCLSA-N 1 2 312.363 4.367 20 30 DIEDLO CC(C)Oc1cc(F)ccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001238696652 1055725163 /nfs/dbraw/zinc/72/51/63/1055725163.db2.gz YYGPALZGPYBYAO-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1cc(F)ccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001238696652 1055725172 /nfs/dbraw/zinc/72/51/72/1055725172.db2.gz YYGPALZGPYBYAO-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO C=C(Cl)C[N@H+]1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001620603727 1055974907 /nfs/dbraw/zinc/97/49/07/1055974907.db2.gz PLKVVRAFCFQXQD-LLVKDONJSA-N 1 2 303.755 4.424 20 30 DIEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001620603727 1055974917 /nfs/dbraw/zinc/97/49/17/1055974917.db2.gz PLKVVRAFCFQXQD-LLVKDONJSA-N 1 2 303.755 4.424 20 30 DIEDLO Cc1nc(N[C@@H]2CCCc3cc(C#N)ccc32)c2c([nH+]1)CCCC2 ZINC001612500933 1056299236 /nfs/dbraw/zinc/29/92/36/1056299236.db2.gz XFXXQXTWIIBSTQ-GOSISDBHSA-N 1 2 318.424 4.025 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCc2ccccc21 ZINC001615265850 1056484473 /nfs/dbraw/zinc/48/44/73/1056484473.db2.gz YONRLKFKTBUMMN-FQEVSTJZSA-N 1 2 320.823 4.334 20 30 DIEDLO C#CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCc2ccccc21 ZINC001615265850 1056484482 /nfs/dbraw/zinc/48/44/82/1056484482.db2.gz YONRLKFKTBUMMN-FQEVSTJZSA-N 1 2 320.823 4.334 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C#N ZINC001240821243 1056716792 /nfs/dbraw/zinc/71/67/92/1056716792.db2.gz QHXHUFWNGJSHAW-SSDVNMTOSA-N 1 2 317.314 4.465 20 30 DIEDLO CCCCCCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC001617331085 1056815198 /nfs/dbraw/zinc/81/51/98/1056815198.db2.gz CGWRKOLZBSFDHB-INIZCTEOSA-N 1 2 323.502 4.382 20 30 DIEDLO CCCCCCCC[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC001617331085 1056815208 /nfs/dbraw/zinc/81/52/08/1056815208.db2.gz CGWRKOLZBSFDHB-INIZCTEOSA-N 1 2 323.502 4.382 20 30 DIEDLO COc1cc(C)c(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1C ZINC001241136180 1056916822 /nfs/dbraw/zinc/91/68/22/1056916822.db2.gz KNFFNUPZYDKRFD-CIAFOILYSA-N 1 2 307.397 4.072 20 30 DIEDLO CC(C)(C)c1coc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000922190686 1056960906 /nfs/dbraw/zinc/96/09/06/1056960906.db2.gz OJOHRVVSDJMUBA-INIZCTEOSA-N 1 2 309.413 4.011 20 30 DIEDLO CCOc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(C)c1 ZINC001241272467 1056991052 /nfs/dbraw/zinc/99/10/52/1056991052.db2.gz FSOIYXWVXXPZQG-FYJGNVAPSA-N 1 2 307.397 4.154 20 30 DIEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162893259 1057153616 /nfs/dbraw/zinc/15/36/16/1057153616.db2.gz GIHLSWDECKXMFG-LLVKDONJSA-N 1 2 302.830 4.392 20 30 DIEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162893259 1057153618 /nfs/dbraw/zinc/15/36/18/1057153618.db2.gz GIHLSWDECKXMFG-LLVKDONJSA-N 1 2 302.830 4.392 20 30 DIEDLO C[NH+](C)Cc1c(F)cc(-c2cc(Cl)cc(C#N)c2)cc1F ZINC001242571063 1057409313 /nfs/dbraw/zinc/40/93/13/1057409313.db2.gz BRXNPBGLZDQPKS-UHFFFAOYSA-N 1 2 306.743 4.218 20 30 DIEDLO CSc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1F ZINC001242975503 1057531774 /nfs/dbraw/zinc/53/17/74/1057531774.db2.gz NRQJSOLWSSUGGA-RGVLZGJSSA-N 1 2 313.401 4.308 20 30 DIEDLO CCCCCCCCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727938598 1057680855 /nfs/dbraw/zinc/68/08/55/1057680855.db2.gz WKTAHELUBNAVPX-INIZCTEOSA-N 1 2 320.481 4.049 20 30 DIEDLO FC(F)(F)c1ccccc1C=NNc1cc[nH+]c2ccccc12 ZINC000730148587 1057704395 /nfs/dbraw/zinc/70/43/95/1057704395.db2.gz YGMNYEBNNYPSNK-UHFFFAOYSA-N 1 2 315.298 4.122 20 30 DIEDLO Fc1ccc2c(c1)C(=NNc1cc[nH+]c3ccccc13)CCS2 ZINC000730146740 1057704499 /nfs/dbraw/zinc/70/44/99/1057704499.db2.gz DTTTYPRVCJGYBW-UHFFFAOYSA-N 1 2 323.396 4.108 20 30 DIEDLO Clc1cccc(C=NNc2cc[nH+]c3ccccc23)c1Cl ZINC000730147613 1057704511 /nfs/dbraw/zinc/70/45/11/1057704511.db2.gz GONYPCBLSGKWJV-UHFFFAOYSA-N 1 2 316.191 4.410 20 30 DIEDLO CCOc1cccc(/C=[NH+]\CCCc2c[nH]c3ccccc23)c1O ZINC000730732611 1057722454 /nfs/dbraw/zinc/72/24/54/1057722454.db2.gz LPBFAMKXJVXEDO-BKUYFWCQSA-N 1 2 322.408 4.324 20 30 DIEDLO N#Cc1cc2ccccc2nc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243658281 1057746184 /nfs/dbraw/zinc/74/61/84/1057746184.db2.gz WWDFZVXQQRGCQM-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000732208844 1057769341 /nfs/dbraw/zinc/76/93/41/1057769341.db2.gz FWDCYNAYUGAASL-QEEYODRMSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000732208844 1057769346 /nfs/dbraw/zinc/76/93/46/1057769346.db2.gz FWDCYNAYUGAASL-QEEYODRMSA-N 1 2 324.399 4.048 20 30 DIEDLO COc1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1C1CC1 ZINC001244252954 1057911751 /nfs/dbraw/zinc/91/17/51/1057911751.db2.gz VXKGCRJCDOJMLJ-LPYMAVHISA-N 1 2 319.408 4.333 20 30 DIEDLO COc1cc(C)c(C)cc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001245023721 1058096161 /nfs/dbraw/zinc/09/61/61/1058096161.db2.gz QFCZWFPZNVVUBW-CIAFOILYSA-N 1 2 307.397 4.072 20 30 DIEDLO Cc1ccc2[nH]c(-c3ccc(/[NH+]=C/N(C)C)c(C#N)c3)cc2c1 ZINC001245573088 1058241592 /nfs/dbraw/zinc/24/15/92/1058241592.db2.gz ZEXOXQWRWUPSMZ-CIAFOILYSA-N 1 2 302.381 4.236 20 30 DIEDLO CCCCCCCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001558212025 1058852671 /nfs/dbraw/zinc/85/26/71/1058852671.db2.gz MSMPOPWVMYLKGS-SFHVURJKSA-N 1 2 320.452 4.049 20 30 DIEDLO C=CCN(Cc1ccccc1)c1nc2ccccc2n2c[nH+]cc12 ZINC001559151474 1059039034 /nfs/dbraw/zinc/03/90/34/1059039034.db2.gz GHIYTUGJGHTCLT-UHFFFAOYSA-N 1 2 314.392 4.075 20 30 DIEDLO C=CC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001559521945 1059319036 /nfs/dbraw/zinc/31/90/36/1059319036.db2.gz SIRPZUWAFFLATL-NHYWBVRUSA-N 1 2 300.229 4.331 20 30 DIEDLO C=CC[C@H](C)[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001559521945 1059319055 /nfs/dbraw/zinc/31/90/55/1059319055.db2.gz SIRPZUWAFFLATL-NHYWBVRUSA-N 1 2 300.229 4.331 20 30 DIEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001559557646 1059367879 /nfs/dbraw/zinc/36/78/79/1059367879.db2.gz DNFNPPMPLSWQNL-CQSZACIVSA-N 1 2 313.803 4.450 20 30 DIEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001559557646 1059367902 /nfs/dbraw/zinc/36/79/02/1059367902.db2.gz DNFNPPMPLSWQNL-CQSZACIVSA-N 1 2 313.803 4.450 20 30 DIEDLO C=C[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC001532001092 1059483650 /nfs/dbraw/zinc/48/36/50/1059483650.db2.gz BETLJZMCMWYRID-LJQANCHMSA-N 1 2 318.376 4.016 20 30 DIEDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)CC1(C)C ZINC001559733251 1059566457 /nfs/dbraw/zinc/56/64/57/1059566457.db2.gz HNBXYAWKXYGLQF-GFCCVEGCSA-N 1 2 321.262 4.189 20 30 DIEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)CC1(C)C ZINC001559733251 1059566470 /nfs/dbraw/zinc/56/64/70/1059566470.db2.gz HNBXYAWKXYGLQF-GFCCVEGCSA-N 1 2 321.262 4.189 20 30 DIEDLO C=C(Cl)C[N@@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001560034689 1059845827 /nfs/dbraw/zinc/84/58/27/1059845827.db2.gz AGMDPEFUPGENMW-UHFFFAOYSA-N 1 2 315.848 4.009 20 30 DIEDLO C=C(Cl)C[N@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001560034689 1059845856 /nfs/dbraw/zinc/84/58/56/1059845856.db2.gz AGMDPEFUPGENMW-UHFFFAOYSA-N 1 2 315.848 4.009 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001248524372 1059867026 /nfs/dbraw/zinc/86/70/26/1059867026.db2.gz ZVJGZGDVZMIAMI-GOSISDBHSA-N 1 2 311.816 4.138 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001248524372 1059867046 /nfs/dbraw/zinc/86/70/46/1059867046.db2.gz ZVJGZGDVZMIAMI-GOSISDBHSA-N 1 2 311.816 4.138 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(OC(C)C)cc(OC(C)C)c1 ZINC001248658654 1059928902 /nfs/dbraw/zinc/92/89/02/1059928902.db2.gz PUVZWYMFADOTSQ-UHFFFAOYSA-N 1 2 318.461 4.387 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(OC(C)C)cc(OC(C)C)c1 ZINC001248658654 1059928925 /nfs/dbraw/zinc/92/89/25/1059928925.db2.gz PUVZWYMFADOTSQ-UHFFFAOYSA-N 1 2 318.461 4.387 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001248846130 1060016632 /nfs/dbraw/zinc/01/66/32/1060016632.db2.gz MYWMCQGHPYTKLD-UHFFFAOYSA-N 1 2 324.350 4.097 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001248846130 1060016658 /nfs/dbraw/zinc/01/66/58/1060016658.db2.gz MYWMCQGHPYTKLD-UHFFFAOYSA-N 1 2 324.350 4.097 20 30 DIEDLO N#Cc1ccc2cc(C[N@H+]3CCc4c(Cl)cccc4C3)[nH]c2c1 ZINC001249430007 1060249460 /nfs/dbraw/zinc/24/94/60/1060249460.db2.gz ZSAWGMSUQSRRNT-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO N#Cc1ccc2cc(C[N@@H+]3CCc4c(Cl)cccc4C3)[nH]c2c1 ZINC001249430007 1060249480 /nfs/dbraw/zinc/24/94/80/1060249480.db2.gz ZSAWGMSUQSRRNT-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO C#CC[N@H+](Cc1nc(C2CC2)cs1)[C@@H]1CCc2ccccc21 ZINC001249529348 1060276987 /nfs/dbraw/zinc/27/69/87/1060276987.db2.gz HMEZNPNEVQZQQL-GOSISDBHSA-N 1 2 308.450 4.143 20 30 DIEDLO C#CC[N@@H+](Cc1nc(C2CC2)cs1)[C@@H]1CCc2ccccc21 ZINC001249529348 1060277008 /nfs/dbraw/zinc/27/70/08/1060277008.db2.gz HMEZNPNEVQZQQL-GOSISDBHSA-N 1 2 308.450 4.143 20 30 DIEDLO N#Cc1ccc(CNc2ccc(Nc3ccccc3)c[nH+]2)cc1 ZINC001560539245 1060343119 /nfs/dbraw/zinc/34/31/19/1060343119.db2.gz VDQVQHIGQILNED-UHFFFAOYSA-N 1 2 300.365 4.309 20 30 DIEDLO CC(C)(C)OC(=O)Nc1cc(Nc2ccc(C#N)cc2)cc[nH+]1 ZINC001249705098 1060360703 /nfs/dbraw/zinc/36/07/03/1060360703.db2.gz IWZLQYUXOTUMDM-UHFFFAOYSA-N 1 2 310.357 4.044 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1F ZINC001560725545 1060589374 /nfs/dbraw/zinc/58/93/74/1060589374.db2.gz GYXIFFFRSKLPAA-UHFFFAOYSA-N 1 2 321.417 4.093 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1F ZINC001560725545 1060589394 /nfs/dbraw/zinc/58/93/94/1060589394.db2.gz GYXIFFFRSKLPAA-UHFFFAOYSA-N 1 2 321.417 4.093 20 30 DIEDLO N#Cc1ccccc1-c1ccc(Cc2ccc3[nH+]ccn3c2)cc1 ZINC001250279934 1060750702 /nfs/dbraw/zinc/75/07/02/1060750702.db2.gz KHKOLESWKOSZQW-UHFFFAOYSA-N 1 2 309.372 4.464 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCC[C@@H](CC)CC1)C(=O)OCC ZINC001560967629 1060832175 /nfs/dbraw/zinc/83/21/75/1060832175.db2.gz MZPFUABTUISFKQ-ILXRZTDVSA-N 1 2 301.858 4.009 20 30 DIEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001252130035 1061585044 /nfs/dbraw/zinc/58/50/44/1061585044.db2.gz JDXIJSVWKUSJDP-SJORKVTESA-N 1 2 323.481 4.017 20 30 DIEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001252130035 1061585068 /nfs/dbraw/zinc/58/50/68/1061585068.db2.gz JDXIJSVWKUSJDP-SJORKVTESA-N 1 2 323.481 4.017 20 30 DIEDLO CCCCCCCCCC[C@@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001252980096 1061770385 /nfs/dbraw/zinc/77/03/85/1061770385.db2.gz QEBVLPZFKZXBTP-FUHWJXTLSA-N 1 2 322.493 4.439 20 30 DIEDLO C=CCCC(C)(C)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC001458522831 1061819424 /nfs/dbraw/zinc/81/94/24/1061819424.db2.gz NFHSNHBQVWIZJK-UHFFFAOYSA-N 1 2 321.428 4.220 20 30 DIEDLO C=CCCCCCC[C@@H](O)C[N@H+](CCC#N)Cc1ccccc1 ZINC001253226700 1061832517 /nfs/dbraw/zinc/83/25/17/1061832517.db2.gz ACEJQRYDHPFJLX-HXUWFJFHSA-N 1 2 314.473 4.290 20 30 DIEDLO C=CCCCCCC[C@@H](O)C[N@@H+](CCC#N)Cc1ccccc1 ZINC001253226700 1061832530 /nfs/dbraw/zinc/83/25/30/1061832530.db2.gz ACEJQRYDHPFJLX-HXUWFJFHSA-N 1 2 314.473 4.290 20 30 DIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1snc(OC)c1Cl ZINC001474383745 1062032072 /nfs/dbraw/zinc/03/20/72/1062032072.db2.gz GDGCTDCMBLFLBD-UHFFFAOYSA-N 1 2 322.861 4.036 20 30 DIEDLO C=CC[N@H+](CCc1ccccc1)Cc1snc(OC)c1Cl ZINC001474383745 1062032094 /nfs/dbraw/zinc/03/20/94/1062032094.db2.gz GDGCTDCMBLFLBD-UHFFFAOYSA-N 1 2 322.861 4.036 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1c(C)noc1CC ZINC001474405229 1062063238 /nfs/dbraw/zinc/06/32/38/1062063238.db2.gz PDZODVDIRLZCTO-UHFFFAOYSA-N 1 2 310.850 4.449 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1c(C)noc1CC ZINC001474405229 1062063254 /nfs/dbraw/zinc/06/32/54/1062063254.db2.gz PDZODVDIRLZCTO-UHFFFAOYSA-N 1 2 310.850 4.449 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254294701 1062073498 /nfs/dbraw/zinc/07/34/98/1062073498.db2.gz AHDZMNNHZBKRQD-OAHLLOKOSA-N 1 2 322.424 4.063 20 30 DIEDLO CC(C)C[C@H](C#N)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254350294 1062080684 /nfs/dbraw/zinc/08/06/84/1062080684.db2.gz ZTVGCWZBSVUZQD-JLAWEPINSA-N 1 2 313.420 4.058 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(C)nc1Cl)[C@H]1CCc2ccccc21 ZINC001459345480 1062101088 /nfs/dbraw/zinc/10/10/88/1062101088.db2.gz OSUSITMBWTXDAZ-SFHVURJKSA-N 1 2 310.828 4.166 20 30 DIEDLO C#CC[N@H+](Cc1ccc(C)nc1Cl)[C@H]1CCc2ccccc21 ZINC001459345480 1062101096 /nfs/dbraw/zinc/10/10/96/1062101096.db2.gz OSUSITMBWTXDAZ-SFHVURJKSA-N 1 2 310.828 4.166 20 30 DIEDLO N#Cc1ccc(OC2C[NH+](Cc3ccc(C4CCC4)cc3)C2)cc1 ZINC001474568389 1062275351 /nfs/dbraw/zinc/27/53/51/1062275351.db2.gz FJQRGQXDRSMEMQ-UHFFFAOYSA-N 1 2 318.420 4.089 20 30 DIEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC001255164844 1062349822 /nfs/dbraw/zinc/34/98/22/1062349822.db2.gz OUSBXFDZHIQAPW-SWLSCSKDSA-N 1 2 307.235 4.278 20 30 DIEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001255164844 1062349845 /nfs/dbraw/zinc/34/98/45/1062349845.db2.gz OUSBXFDZHIQAPW-SWLSCSKDSA-N 1 2 307.235 4.278 20 30 DIEDLO N#Cc1ccc(CSCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001255681319 1062516132 /nfs/dbraw/zinc/51/61/32/1062516132.db2.gz GWEIQHGJRVUSIK-UHFFFAOYSA-N 1 2 305.406 4.177 20 30 DIEDLO Cc1cncc([C@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)c1 ZINC001460658353 1062965979 /nfs/dbraw/zinc/96/59/79/1062965979.db2.gz HNBYHDWBHNDWCH-LJQANCHMSA-N 1 2 310.828 4.232 20 30 DIEDLO Cc1cncc([C@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)c1 ZINC001460658353 1062966001 /nfs/dbraw/zinc/96/60/01/1062966001.db2.gz HNBYHDWBHNDWCH-LJQANCHMSA-N 1 2 310.828 4.232 20 30 DIEDLO C#CC[N@H+](Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2ccccc21 ZINC001460839840 1063095016 /nfs/dbraw/zinc/09/50/16/1063095016.db2.gz XBSMALMPHNFCOI-HXUWFJFHSA-N 1 2 315.420 4.076 20 30 DIEDLO C#CC[N@@H+](Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2ccccc21 ZINC001460839840 1063095036 /nfs/dbraw/zinc/09/50/36/1063095036.db2.gz XBSMALMPHNFCOI-HXUWFJFHSA-N 1 2 315.420 4.076 20 30 DIEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCC=C(C)C ZINC001258076994 1063503630 /nfs/dbraw/zinc/50/36/30/1063503630.db2.gz VCFBBWWEXHFFQX-MJGOQNOKSA-N 1 2 315.457 4.051 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 ZINC001258513721 1063679486 /nfs/dbraw/zinc/67/94/86/1063679486.db2.gz ZQUAKBQQMYSAAB-SOFGYWHQSA-N 1 2 321.207 4.351 20 30 DIEDLO C=CCOc1ccccc1CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001306969152 1065226057 /nfs/dbraw/zinc/22/60/57/1065226057.db2.gz YPQAKYHADIUWPE-UHFFFAOYSA-N 1 2 309.413 4.229 20 30 DIEDLO Cc1ccc(OC(F)F)c(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC001307513897 1065454067 /nfs/dbraw/zinc/45/40/67/1065454067.db2.gz MFMWDVWPKPBIPU-UHFFFAOYSA-N 1 2 310.388 4.358 20 30 DIEDLO Cc1ccc(OC(F)F)c(C[N@H+](CCC#N)CCC(C)C)c1 ZINC001307513897 1065454069 /nfs/dbraw/zinc/45/40/69/1065454069.db2.gz MFMWDVWPKPBIPU-UHFFFAOYSA-N 1 2 310.388 4.358 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccccc1 ZINC001307631204 1065528274 /nfs/dbraw/zinc/52/82/74/1065528274.db2.gz BMXNOBBJEGTPQX-INIZCTEOSA-N 1 2 305.208 4.243 20 30 DIEDLO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)c1cccc(C#N)c1 ZINC001307874396 1065665048 /nfs/dbraw/zinc/66/50/48/1065665048.db2.gz BTZFQIDWGJKNIX-BEFAXECRSA-N 1 2 317.392 4.181 20 30 DIEDLO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1c(F)cccc1F ZINC001308094549 1065760885 /nfs/dbraw/zinc/76/08/85/1065760885.db2.gz JJKBBGMKDCMEON-LBPRGKRZSA-N 1 2 305.755 4.321 20 30 DIEDLO C#CC[N@H+](CC)Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001308631732 1066127679 /nfs/dbraw/zinc/12/76/79/1066127679.db2.gz POVKRRGEZVFNFA-UHFFFAOYSA-N 1 2 300.229 4.236 20 30 DIEDLO C#CC[N@@H+](CC)Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001308631732 1066127670 /nfs/dbraw/zinc/12/76/70/1066127670.db2.gz POVKRRGEZVFNFA-UHFFFAOYSA-N 1 2 300.229 4.236 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cncc(OCC)c1 ZINC001308651637 1066137908 /nfs/dbraw/zinc/13/79/08/1066137908.db2.gz UMKMRJIFUXVFGT-UHFFFAOYSA-N 1 2 322.861 4.383 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cncc(OCC)c1 ZINC001308651637 1066137912 /nfs/dbraw/zinc/13/79/12/1066137912.db2.gz UMKMRJIFUXVFGT-UHFFFAOYSA-N 1 2 322.861 4.383 20 30 DIEDLO Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1Oc1cc[nH+]cc1 ZINC000563768825 335000952 /nfs/dbraw/zinc/00/09/52/335000952.db2.gz MMVXNZDOBUVFEB-UHFFFAOYSA-N 1 2 321.380 4.061 20 30 DIEDLO C[C@@H]1CN(c2ccc([NH2+]CC(C)(C)CCC#N)cc2)C[C@@H](C)O1 ZINC000124817104 332440066 /nfs/dbraw/zinc/44/00/66/332440066.db2.gz ZYXJGJVAGGTRTC-HZPDHXFCSA-N 1 2 315.461 4.042 20 30 DIEDLO C[C@H]1CN(c2ccc([NH2+]CC(C)(C)CCC#N)cc2)C[C@H](C)O1 ZINC000124816846 332440100 /nfs/dbraw/zinc/44/01/00/332440100.db2.gz ZYXJGJVAGGTRTC-HOTGVXAUSA-N 1 2 315.461 4.042 20 30 DIEDLO CC(C)(CCC#N)CNc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000127037874 332469364 /nfs/dbraw/zinc/46/93/64/332469364.db2.gz ZTVKVFPVUDXWJQ-UHFFFAOYSA-N 1 2 302.809 4.268 20 30 DIEDLO CCCc1ccc(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)cc1 ZINC000171539601 333050471 /nfs/dbraw/zinc/05/04/71/333050471.db2.gz DPUJGYDINWCHCF-CMDGGOBGSA-N 1 2 322.330 4.294 20 30 DIEDLO Cc1cc(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)c(C)s1 ZINC000171538684 333050479 /nfs/dbraw/zinc/05/04/79/333050479.db2.gz HAGCAHUTIYWKOO-ONEGZZNKSA-N 1 2 314.332 4.020 20 30 DIEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000514312929 333111459 /nfs/dbraw/zinc/11/14/59/333111459.db2.gz QMFBTWBDXIJGGV-UHFFFAOYSA-N 1 2 322.368 4.119 20 30 DIEDLO N#C[C@H]1CCC[C@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000185741298 333213053 /nfs/dbraw/zinc/21/30/53/333213053.db2.gz JOSPYNZIBYLMHB-YJBOKZPZSA-N 1 2 320.440 4.381 20 30 DIEDLO C[C@@H]([NH2+][C@H](CCc1ccccc1)C(F)F)c1ccc(C#N)cc1 ZINC000497550053 333261562 /nfs/dbraw/zinc/26/15/62/333261562.db2.gz JKNVXMRUTGDAQF-RDTXWAMCSA-N 1 2 314.379 4.475 20 30 DIEDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000503044515 333313252 /nfs/dbraw/zinc/31/32/52/333313252.db2.gz UNMGMJLMHCZMMQ-QGZVFWFLSA-N 1 2 318.392 4.138 20 30 DIEDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000503044515 333313253 /nfs/dbraw/zinc/31/32/53/333313253.db2.gz UNMGMJLMHCZMMQ-QGZVFWFLSA-N 1 2 318.392 4.138 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1nccn1CC)c1ccc(F)c(F)c1 ZINC000296316245 335143434 /nfs/dbraw/zinc/14/34/34/335143434.db2.gz FMQOECVFDCFDEH-LRDDRELGSA-N 1 2 305.372 4.149 20 30 DIEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000411165109 333639059 /nfs/dbraw/zinc/63/90/59/333639059.db2.gz OHIYXQADIAOSBS-GFCCVEGCSA-N 1 2 303.793 4.125 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284494181 334143684 /nfs/dbraw/zinc/14/36/84/334143684.db2.gz XDHDXEZDZLAPSX-LLVKDONJSA-N 1 2 305.834 4.055 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284494181 334143685 /nfs/dbraw/zinc/14/36/85/334143685.db2.gz XDHDXEZDZLAPSX-LLVKDONJSA-N 1 2 305.834 4.055 20 30 DIEDLO N#CC1(c2ccccc2)CCC([NH2+][C@@H](C2CC2)C(F)(F)F)CC1 ZINC000287275899 334156950 /nfs/dbraw/zinc/15/69/50/334156950.db2.gz JITJZPBUQRJOER-CGZBRXJRSA-N 1 2 322.374 4.321 20 30 DIEDLO CC[C@H]([NH2+]CCCCC#N)c1cc(Cl)cc(Cl)c1O ZINC000287783534 334158638 /nfs/dbraw/zinc/15/86/38/334158638.db2.gz SGTCXXOQZCLALU-ZDUSSCGKSA-N 1 2 301.217 4.434 20 30 DIEDLO Cc1cc([C@@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)ccc1F ZINC000187700323 334269179 /nfs/dbraw/zinc/26/91/79/334269179.db2.gz NJZHGOPWVFZNKL-YWZLYKJASA-N 1 2 324.399 4.140 20 30 DIEDLO Cc1cc([C@@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)ccc1F ZINC000187700323 334269181 /nfs/dbraw/zinc/26/91/81/334269181.db2.gz NJZHGOPWVFZNKL-YWZLYKJASA-N 1 2 324.399 4.140 20 30 DIEDLO C=C1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000341989912 334503695 /nfs/dbraw/zinc/50/36/95/334503695.db2.gz BWVZGRRMYCPACX-UHFFFAOYSA-N 1 2 318.417 4.013 20 30 DIEDLO C=C1CC[NH+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000341992704 334504137 /nfs/dbraw/zinc/50/41/37/334504137.db2.gz CJXOQJVIXQWLSW-LBPRGKRZSA-N 1 2 303.793 4.103 20 30 DIEDLO C=CC[C@H](Cc1ccccc1)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000417124001 334696697 /nfs/dbraw/zinc/69/66/97/334696697.db2.gz MDNYYCDZWGYWAI-QGZVFWFLSA-N 1 2 309.413 4.007 20 30 DIEDLO Cc1cc[nH+]c(C)c1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000331238661 334849748 /nfs/dbraw/zinc/84/97/48/334849748.db2.gz IWMDDPYGLQICCE-UHFFFAOYSA-N 1 2 314.433 4.410 20 30 DIEDLO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C)[nH+]c1C ZINC000344065375 335214475 /nfs/dbraw/zinc/21/44/75/335214475.db2.gz WXDMFHIBNIOZFW-UHFFFAOYSA-N 1 2 309.413 4.309 20 30 DIEDLO N#Cc1ccc(Cl)cc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000346428363 335407269 /nfs/dbraw/zinc/40/72/69/335407269.db2.gz VIYYLEVFYYUFJZ-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO N#Cc1ccc(SCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445601686 338502037 /nfs/dbraw/zinc/50/20/37/338502037.db2.gz TXDSXVZGHSQMBM-UHFFFAOYSA-N 1 2 305.406 4.095 20 30 DIEDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330163503 336119490 /nfs/dbraw/zinc/11/94/90/336119490.db2.gz SPNRHFOMTAQSKY-KGLIPLIRSA-N 1 2 323.396 4.218 20 30 DIEDLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330264531 336131355 /nfs/dbraw/zinc/13/13/55/336131355.db2.gz YBBBXXIIOUZHLL-KSSFIOAISA-N 1 2 323.396 4.294 20 30 DIEDLO C=CCOc1ccccc1C[NH2+]Cc1ncoc1-c1ccccc1 ZINC000532428478 336246871 /nfs/dbraw/zinc/24/68/71/336246871.db2.gz YCQGOWYTASEFSV-UHFFFAOYSA-N 1 2 320.392 4.196 20 30 DIEDLO CCN(CC)c1ccc(CNc2ccc(C#N)c(Cl)c2)c[nH+]1 ZINC000301234394 336296071 /nfs/dbraw/zinc/29/60/71/336296071.db2.gz JPGVFJHYWYMEDZ-UHFFFAOYSA-N 1 2 314.820 4.065 20 30 DIEDLO Cc1cc(NCc2cc(C#N)ccc2F)c2cccc(F)c2[nH+]1 ZINC000301639111 336319978 /nfs/dbraw/zinc/31/99/78/336319978.db2.gz AXWGDPCAEDSPQP-UHFFFAOYSA-N 1 2 309.319 4.305 20 30 DIEDLO C=CCC(CC=C)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000356590765 336555495 /nfs/dbraw/zinc/55/54/95/336555495.db2.gz BLASFKPHAZEDKK-UHFFFAOYSA-N 1 2 306.369 4.158 20 30 DIEDLO Cc1cc(C)c(C#N)c(SCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000358367669 336626714 /nfs/dbraw/zinc/62/67/14/336626714.db2.gz KGGXTHPFQIZLAN-UHFFFAOYSA-N 1 2 320.421 4.048 20 30 DIEDLO Cc1sc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)nc1C(C)C ZINC000358558669 336634548 /nfs/dbraw/zinc/63/45/48/336634548.db2.gz CYAPPFNSFZPONX-LLVKDONJSA-N 1 2 317.433 4.437 20 30 DIEDLO Cc1cc(C)c(NC(=O)C[C@H](CC#N)c2ccccc2)c(C)[nH+]1 ZINC000361529440 336761082 /nfs/dbraw/zinc/76/10/82/336761082.db2.gz YBGPFKXJMFWQIW-KRWDZBQOSA-N 1 2 307.397 4.033 20 30 DIEDLO CCCCCCCC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000370719632 336892093 /nfs/dbraw/zinc/89/20/93/336892093.db2.gz LGTLTUNZYWZFDA-MRXNPFEDSA-N 1 2 305.466 4.317 20 30 DIEDLO C#CCCCCC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000378397917 337071801 /nfs/dbraw/zinc/07/18/01/337071801.db2.gz DXOXDIFFMPMPMA-UHFFFAOYSA-N 1 2 321.424 4.019 20 30 DIEDLO Cc1ccn2cc(CNc3cccc(C(F)F)c3C#N)[nH+]c2c1 ZINC000583304754 337310243 /nfs/dbraw/zinc/31/02/43/337310243.db2.gz JFBWOPUFHISWEE-UHFFFAOYSA-N 1 2 312.323 4.064 20 30 DIEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000264455482 337632504 /nfs/dbraw/zinc/63/25/04/337632504.db2.gz JBDNLAMANFRUEY-MRXNPFEDSA-N 1 2 300.446 4.097 20 30 DIEDLO CCCc1csc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000426421282 338031607 /nfs/dbraw/zinc/03/16/07/338031607.db2.gz QRUSHEOMCCPJIJ-UHFFFAOYSA-N 1 2 323.465 4.257 20 30 DIEDLO CCCc1csc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000426421282 338031608 /nfs/dbraw/zinc/03/16/08/338031608.db2.gz QRUSHEOMCCPJIJ-UHFFFAOYSA-N 1 2 323.465 4.257 20 30 DIEDLO CC(C)O[C@@H](C[N@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000428244600 338043995 /nfs/dbraw/zinc/04/39/95/338043995.db2.gz VNVIHEAFHKDQGZ-IBGZPJMESA-N 1 2 312.413 4.162 20 30 DIEDLO CC(C)O[C@@H](C[N@@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000428244600 338043996 /nfs/dbraw/zinc/04/39/96/338043996.db2.gz VNVIHEAFHKDQGZ-IBGZPJMESA-N 1 2 312.413 4.162 20 30 DIEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000428308631 338046730 /nfs/dbraw/zinc/04/67/30/338046730.db2.gz ADSVUMFVJZSSBM-INIZCTEOSA-N 1 2 322.305 4.481 20 30 DIEDLO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cc(F)ccc1F ZINC000428331236 338047724 /nfs/dbraw/zinc/04/77/24/338047724.db2.gz OXUKHRDOOLIABE-KRWDZBQOSA-N 1 2 304.315 4.216 20 30 DIEDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc(F)c1C#N ZINC000428454504 338052581 /nfs/dbraw/zinc/05/25/81/338052581.db2.gz RLJGHAMZZZIMPE-MRXNPFEDSA-N 1 2 300.402 4.268 20 30 DIEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428454504 338052582 /nfs/dbraw/zinc/05/25/82/338052582.db2.gz RLJGHAMZZZIMPE-MRXNPFEDSA-N 1 2 300.402 4.268 20 30 DIEDLO C[N@H+](Cc1cccc(F)c1C#N)Cc1ccccc1C(F)(F)F ZINC000428467285 338053797 /nfs/dbraw/zinc/05/37/97/338053797.db2.gz XVRJHNGTKGNURP-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C[N@@H+](Cc1cccc(F)c1C#N)Cc1ccccc1C(F)(F)F ZINC000428467285 338053798 /nfs/dbraw/zinc/05/37/98/338053798.db2.gz XVRJHNGTKGNURP-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C=CC[N@@H+](CCC#N)CCOC(c1ccccc1)c1ccccc1 ZINC000428852847 338062315 /nfs/dbraw/zinc/06/23/15/338062315.db2.gz VIJCNIBCGIDDKU-UHFFFAOYSA-N 1 2 320.436 4.194 20 30 DIEDLO C=CC[N@H+](CCC#N)CCOC(c1ccccc1)c1ccccc1 ZINC000428852847 338062316 /nfs/dbraw/zinc/06/23/16/338062316.db2.gz VIJCNIBCGIDDKU-UHFFFAOYSA-N 1 2 320.436 4.194 20 30 DIEDLO C=CC[N@@H+](CCC#N)[C@H]1CCCc2ccc(Br)cc21 ZINC000428861074 338062963 /nfs/dbraw/zinc/06/29/63/338062963.db2.gz OPGMZTLEUHDYDB-INIZCTEOSA-N 1 2 319.246 4.228 20 30 DIEDLO C=CC[N@H+](CCC#N)[C@H]1CCCc2ccc(Br)cc21 ZINC000428861074 338062964 /nfs/dbraw/zinc/06/29/64/338062964.db2.gz OPGMZTLEUHDYDB-INIZCTEOSA-N 1 2 319.246 4.228 20 30 DIEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)CC[C@H]1C(F)(F)F ZINC000428964158 338066893 /nfs/dbraw/zinc/06/68/93/338066893.db2.gz GHAYXQSQFFAHGY-CQSZACIVSA-N 1 2 314.326 4.108 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)CC[C@H]1C(F)(F)F ZINC000428964158 338066894 /nfs/dbraw/zinc/06/68/94/338066894.db2.gz GHAYXQSQFFAHGY-CQSZACIVSA-N 1 2 314.326 4.108 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432928253 338173626 /nfs/dbraw/zinc/17/36/26/338173626.db2.gz QWCFVTJHICMVRE-UHFFFAOYSA-N 1 2 301.192 4.258 20 30 DIEDLO C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1ccc(C#N)cc1F ZINC000433102627 338181884 /nfs/dbraw/zinc/18/18/84/338181884.db2.gz JGXGXYZTISJDBY-VIFPVBQESA-N 1 2 324.733 4.480 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc(C#N)c1F ZINC000433234094 338187209 /nfs/dbraw/zinc/18/72/09/338187209.db2.gz JAFKDXTYMGIQAC-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc(C#N)c1F ZINC000433234094 338187210 /nfs/dbraw/zinc/18/72/10/338187210.db2.gz JAFKDXTYMGIQAC-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccccc1OCC1CC1)Cc1cc(C#N)ccc1F ZINC000434992061 338229244 /nfs/dbraw/zinc/22/92/44/338229244.db2.gz SEBDSEQMISSCOJ-UHFFFAOYSA-N 1 2 324.399 4.118 20 30 DIEDLO C[N@H+](Cc1ccccc1OCC1CC1)Cc1cc(C#N)ccc1F ZINC000434992061 338229245 /nfs/dbraw/zinc/22/92/45/338229245.db2.gz SEBDSEQMISSCOJ-UHFFFAOYSA-N 1 2 324.399 4.118 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nc(C)cs1 ZINC000439434339 338369203 /nfs/dbraw/zinc/36/92/03/338369203.db2.gz BVXNHAJMVSDQSJ-AWEZNQCLSA-N 1 2 305.834 4.218 20 30 DIEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2Cl)sc1C ZINC000439448422 338369618 /nfs/dbraw/zinc/36/96/18/338369618.db2.gz GWKBJQSKAIXODP-UHFFFAOYSA-N 1 2 319.861 4.310 20 30 DIEDLO C=CCOc1ccccc1C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000447937323 338572135 /nfs/dbraw/zinc/57/21/35/338572135.db2.gz AODVDNUZGXUZEW-UHFFFAOYSA-N 1 2 316.470 4.295 20 30 DIEDLO CC1(C#N)CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450437359 338684084 /nfs/dbraw/zinc/68/40/84/338684084.db2.gz SUZUAFKKNWTHED-UHFFFAOYSA-N 1 2 319.330 4.384 20 30 DIEDLO N#CC1(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CCC1 ZINC000450602384 338693311 /nfs/dbraw/zinc/69/33/11/338693311.db2.gz WVLRQDKFJIOABN-QGZVFWFLSA-N 1 2 311.816 4.108 20 30 DIEDLO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000462950437 339098821 /nfs/dbraw/zinc/09/88/21/339098821.db2.gz CVBIRFPKKXGYGY-RBUKOAKNSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000462950437 339098822 /nfs/dbraw/zinc/09/88/22/339098822.db2.gz CVBIRFPKKXGYGY-RBUKOAKNSA-N 1 2 324.399 4.106 20 30 DIEDLO C=CC[N@H+](Cc1cncc(C(F)(F)F)c1)Cc1ccccc1F ZINC000463078706 339104827 /nfs/dbraw/zinc/10/48/27/339104827.db2.gz ZROZKTZDCNQJJR-UHFFFAOYSA-N 1 2 324.321 4.428 20 30 DIEDLO C=CC[N@@H+](Cc1cncc(C(F)(F)F)c1)Cc1ccccc1F ZINC000463078706 339104828 /nfs/dbraw/zinc/10/48/28/339104828.db2.gz ZROZKTZDCNQJJR-UHFFFAOYSA-N 1 2 324.321 4.428 20 30 DIEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000464725248 339149994 /nfs/dbraw/zinc/14/99/94/339149994.db2.gz MMCJNDRZCZZQMJ-BFUOFWGJSA-N 1 2 312.363 4.420 20 30 DIEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000464725248 339149995 /nfs/dbraw/zinc/14/99/95/339149995.db2.gz MMCJNDRZCZZQMJ-BFUOFWGJSA-N 1 2 312.363 4.420 20 30 DIEDLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000464725250 339150094 /nfs/dbraw/zinc/15/00/94/339150094.db2.gz MMCJNDRZCZZQMJ-ORAYPTAESA-N 1 2 312.363 4.420 20 30 DIEDLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000464725250 339150095 /nfs/dbraw/zinc/15/00/95/339150095.db2.gz MMCJNDRZCZZQMJ-ORAYPTAESA-N 1 2 312.363 4.420 20 30 DIEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000468120503 339254594 /nfs/dbraw/zinc/25/45/94/339254594.db2.gz KOZUYUPIPKPZAJ-FQEVSTJZSA-N 1 2 323.440 4.427 20 30 DIEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000468998586 339277234 /nfs/dbraw/zinc/27/72/34/339277234.db2.gz PVWDBLVRVIURAV-SFHVURJKSA-N 1 2 310.372 4.043 20 30 DIEDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000468998586 339277235 /nfs/dbraw/zinc/27/72/35/339277235.db2.gz PVWDBLVRVIURAV-SFHVURJKSA-N 1 2 310.372 4.043 20 30 DIEDLO C=C(C)C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1 ZINC000470914523 339331053 /nfs/dbraw/zinc/33/10/53/339331053.db2.gz BELOYPFANCKSKM-UHFFFAOYSA-N 1 2 319.408 4.315 20 30 DIEDLO C=C(C)C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1 ZINC000470914523 339331054 /nfs/dbraw/zinc/33/10/54/339331054.db2.gz BELOYPFANCKSKM-UHFFFAOYSA-N 1 2 319.408 4.315 20 30 DIEDLO C=C(C)C[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000470916496 339331260 /nfs/dbraw/zinc/33/12/60/339331260.db2.gz BNBLUYCYUFSESR-UHFFFAOYSA-N 1 2 311.429 4.306 20 30 DIEDLO C=C(C)C[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000470916496 339331261 /nfs/dbraw/zinc/33/12/61/339331261.db2.gz BNBLUYCYUFSESR-UHFFFAOYSA-N 1 2 311.429 4.306 20 30 DIEDLO N#Cc1csc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000473120844 339381410 /nfs/dbraw/zinc/38/14/10/339381410.db2.gz HIKNXRCRFJYISM-UHFFFAOYSA-N 1 2 316.376 4.187 20 30 DIEDLO N#Cc1csc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000473120844 339381411 /nfs/dbraw/zinc/38/14/11/339381411.db2.gz HIKNXRCRFJYISM-UHFFFAOYSA-N 1 2 316.376 4.187 20 30 DIEDLO CC(C)(C)c1cnc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000502520461 340106768 /nfs/dbraw/zinc/10/67/68/340106768.db2.gz BTUXSZXSFQDQKH-UHFFFAOYSA-N 1 2 321.424 4.133 20 30 DIEDLO CC(C)(C)c1cnc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000502520461 340106769 /nfs/dbraw/zinc/10/67/69/340106769.db2.gz BTUXSZXSFQDQKH-UHFFFAOYSA-N 1 2 321.424 4.133 20 30 DIEDLO C=C1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000506447534 340194712 /nfs/dbraw/zinc/19/47/12/340194712.db2.gz OKKNBOJNRLOLKB-UHFFFAOYSA-N 1 2 300.627 4.255 20 30 DIEDLO Cc1ccc(COc2ccc(C[N@@H+](C)C[C@H](C)C#N)cc2)cc1 ZINC000509765637 340278613 /nfs/dbraw/zinc/27/86/13/340278613.db2.gz HCTNENSMEBYFFL-QGZVFWFLSA-N 1 2 308.425 4.166 20 30 DIEDLO Cc1ccc(COc2ccc(C[N@H+](C)C[C@H](C)C#N)cc2)cc1 ZINC000509765637 340278614 /nfs/dbraw/zinc/27/86/14/340278614.db2.gz HCTNENSMEBYFFL-QGZVFWFLSA-N 1 2 308.425 4.166 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000302734228 340280198 /nfs/dbraw/zinc/28/01/98/340280198.db2.gz AAAIFWVCRRFLDN-UHFFFAOYSA-N 1 2 322.817 4.498 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000302734228 340280199 /nfs/dbraw/zinc/28/01/99/340280199.db2.gz AAAIFWVCRRFLDN-UHFFFAOYSA-N 1 2 322.817 4.498 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1F)Cc1cccc(OC)c1OC ZINC000511538222 340329880 /nfs/dbraw/zinc/32/98/80/340329880.db2.gz QXLLHTJVULXCKG-UHFFFAOYSA-N 1 2 315.388 4.031 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1cccc(OC)c1OC ZINC000511538222 340329881 /nfs/dbraw/zinc/32/98/81/340329881.db2.gz QXLLHTJVULXCKG-UHFFFAOYSA-N 1 2 315.388 4.031 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(F)cc1F ZINC000512199793 340351992 /nfs/dbraw/zinc/35/19/92/340351992.db2.gz DKGOVDUVLIPKFD-CYBMUJFWSA-N 1 2 321.367 4.189 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(F)cc1F ZINC000512199793 340351993 /nfs/dbraw/zinc/35/19/93/340351993.db2.gz DKGOVDUVLIPKFD-CYBMUJFWSA-N 1 2 321.367 4.189 20 30 DIEDLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(C#N)cc1F ZINC000512296706 340356122 /nfs/dbraw/zinc/35/61/22/340356122.db2.gz RVABZJFWHHPQNK-CQSZACIVSA-N 1 2 324.403 4.256 20 30 DIEDLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000187418373 340519874 /nfs/dbraw/zinc/51/98/74/340519874.db2.gz PJTRQLLKZTXIPB-LLVKDONJSA-N 1 2 318.779 4.210 20 30 DIEDLO Cc1cc[nH+]c(N[C@@H](C)c2ccc(C#N)cc2)c1Br ZINC000235541935 340660750 /nfs/dbraw/zinc/66/07/50/340660750.db2.gz QNOZJPRPPAMIFJ-NSHDSACASA-N 1 2 316.202 4.197 20 30 DIEDLO C=CC[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000130874694 341051291 /nfs/dbraw/zinc/05/12/91/341051291.db2.gz HVMSXSIEZCJPQG-UHFFFAOYSA-N 1 2 312.360 4.350 20 30 DIEDLO C=CC[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000130874694 341051292 /nfs/dbraw/zinc/05/12/92/341051292.db2.gz HVMSXSIEZCJPQG-UHFFFAOYSA-N 1 2 312.360 4.350 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2ccc(-c3ccccc3)s2)c1 ZINC000546633895 341176415 /nfs/dbraw/zinc/17/64/15/341176415.db2.gz PQZKBSSFACORNM-UHFFFAOYSA-N 1 2 305.406 4.488 20 30 DIEDLO COc1cc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000564309076 341181047 /nfs/dbraw/zinc/18/10/47/341181047.db2.gz NJRZRGCOAXTUGF-KRWDZBQOSA-N 1 2 312.800 4.167 20 30 DIEDLO COc1cc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000564309076 341181048 /nfs/dbraw/zinc/18/10/48/341181048.db2.gz NJRZRGCOAXTUGF-KRWDZBQOSA-N 1 2 312.800 4.167 20 30 DIEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCC(C)(C)C#N ZINC000548731589 341271055 /nfs/dbraw/zinc/27/10/55/341271055.db2.gz INAXJHBXPXSTLS-CJNGLKHVSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCC(C)(C)C#N ZINC000548731589 341271056 /nfs/dbraw/zinc/27/10/56/341271056.db2.gz INAXJHBXPXSTLS-CJNGLKHVSA-N 1 2 306.837 4.042 20 30 DIEDLO CCOc1cc(C#N)ccc1OCc1ccc(C(C)C)[nH+]c1C ZINC000549010270 341283453 /nfs/dbraw/zinc/28/34/53/341283453.db2.gz PVNIJVUDQJFSII-UHFFFAOYSA-N 1 2 310.397 4.363 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H](C)c1ccncc1F)c1ccc(F)c(F)c1 ZINC000551281713 341337039 /nfs/dbraw/zinc/33/70/39/341337039.db2.gz HEJNKPNKRIROMR-DIFFPNOSSA-N 1 2 306.331 4.467 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1ccncc1F)c1ccc(F)c(F)c1 ZINC000551281714 341337096 /nfs/dbraw/zinc/33/70/96/341337096.db2.gz HEJNKPNKRIROMR-GTNSWQLSSA-N 1 2 306.331 4.467 20 30 DIEDLO CC(C)(C)[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000564852757 341511438 /nfs/dbraw/zinc/51/14/38/341511438.db2.gz PKFBGXQZKHTWPX-LRDDRELGSA-N 1 2 305.372 4.085 20 30 DIEDLO N#Cc1csc(CNc2cccc([NH+]3CCCCCC3)c2)n1 ZINC000566707807 341565849 /nfs/dbraw/zinc/56/58/49/341565849.db2.gz ZNRDZXINFNTOKI-UHFFFAOYSA-N 1 2 312.442 4.007 20 30 DIEDLO CC(C)Oc1cccc([C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C(F)F)c1 ZINC000576052829 341822950 /nfs/dbraw/zinc/82/29/50/341822950.db2.gz WABYDOWZWWSFEW-JLJPHGGASA-N 1 2 322.399 4.452 20 30 DIEDLO CC(C)[N@H+](Cc1csc(C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000161564647 519663318 /nfs/dbraw/zinc/66/33/18/519663318.db2.gz WDROEUYAZPLOAZ-UHFFFAOYSA-N 1 2 311.454 4.303 20 30 DIEDLO CC(C)[N@@H+](Cc1csc(C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000161564647 519663322 /nfs/dbraw/zinc/66/33/22/519663322.db2.gz WDROEUYAZPLOAZ-UHFFFAOYSA-N 1 2 311.454 4.303 20 30 DIEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000103142000 526559137 /nfs/dbraw/zinc/55/91/37/526559137.db2.gz ZIEQQFWTRAZNBK-UHFFFAOYSA-N 1 2 316.420 4.011 20 30 DIEDLO Cc1c[nH+]cc(Nc2cc(Br)cc(F)c2C#N)c1C ZINC001213534192 1050681252 /nfs/dbraw/zinc/68/12/52/1050681252.db2.gz QRHHMRDLONYBIN-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO C=C(CC(C)C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001625788628 1035647628 /nfs/dbraw/zinc/64/76/28/1035647628.db2.gz XYXJUTJFCWYQJF-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO C=CC[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Cl)s1 ZINC000179694901 1035926755 /nfs/dbraw/zinc/92/67/55/1035926755.db2.gz OKQIABJFYYBBCN-UHFFFAOYSA-N 1 2 309.866 4.367 20 30 DIEDLO C=CC[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Cl)s1 ZINC000179694901 1035926767 /nfs/dbraw/zinc/92/67/67/1035926767.db2.gz OKQIABJFYYBBCN-UHFFFAOYSA-N 1 2 309.866 4.367 20 30 DIEDLO CC(C)c1ccc([C@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)cc1 ZINC000581183786 1037465566 /nfs/dbraw/zinc/46/55/66/1037465566.db2.gz QYHPCYRSHBQWFG-QGZVFWFLSA-N 1 2 311.454 4.475 20 30 DIEDLO CC(C)c1ccc([C@H]2CCC[N@H+]2Cc2nc(C#N)cs2)cc1 ZINC000581183786 1037465573 /nfs/dbraw/zinc/46/55/73/1037465573.db2.gz QYHPCYRSHBQWFG-QGZVFWFLSA-N 1 2 311.454 4.475 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3cc4ccccc4o3)c[nH+]c12 ZINC000255303483 1037630532 /nfs/dbraw/zinc/63/05/32/1037630532.db2.gz OPHLVYWSBRYMHN-HJWRWDBZSA-N 1 2 302.333 4.285 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cc4ccccc4o3)n2c1 ZINC000255361846 1037909484 /nfs/dbraw/zinc/90/94/84/1037909484.db2.gz KRASBKUKSVACON-FPLPWBNLSA-N 1 2 302.333 4.285 20 30 DIEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1csc(C#N)c1 ZINC000891517268 1038003141 /nfs/dbraw/zinc/00/31/41/1038003141.db2.gz TVPYWMUWUMUDIL-NSHDSACASA-N 1 2 313.451 4.422 20 30 DIEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000891517268 1038003162 /nfs/dbraw/zinc/00/31/62/1038003162.db2.gz TVPYWMUWUMUDIL-NSHDSACASA-N 1 2 313.451 4.422 20 30 DIEDLO C[C@@H](CCC#N)CNc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000602491735 1038018826 /nfs/dbraw/zinc/01/88/26/1038018826.db2.gz LZEFPFXMKWVAOX-HNNXBMFYSA-N 1 2 308.429 4.238 20 30 DIEDLO N#Cc1cccc2c1C[N@H+](CCCCCOc1ccccc1)C2 ZINC000593697034 1038250829 /nfs/dbraw/zinc/25/08/29/1038250829.db2.gz JZLDIZCCSNQGDD-UHFFFAOYSA-N 1 2 306.409 4.123 20 30 DIEDLO N#Cc1cccc2c1C[N@@H+](CCCCCOc1ccccc1)C2 ZINC000593697034 1038250841 /nfs/dbraw/zinc/25/08/41/1038250841.db2.gz JZLDIZCCSNQGDD-UHFFFAOYSA-N 1 2 306.409 4.123 20 30 DIEDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC000603603457 1038251813 /nfs/dbraw/zinc/25/18/13/1038251813.db2.gz HTTCTECNPUBNBV-AUUYWEPGSA-N 1 2 306.409 4.439 20 30 DIEDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC000603603457 1038251825 /nfs/dbraw/zinc/25/18/25/1038251825.db2.gz HTTCTECNPUBNBV-AUUYWEPGSA-N 1 2 306.409 4.439 20 30 DIEDLO CC[N@@H+](Cc1cc(C#N)ccc1F)Cc1ccccc1Cl ZINC000603630150 1038256657 /nfs/dbraw/zinc/25/66/57/1038256657.db2.gz UWCQSQABJXQURD-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC[N@H+](Cc1cc(C#N)ccc1F)Cc1ccccc1Cl ZINC000603630150 1038256668 /nfs/dbraw/zinc/25/66/68/1038256668.db2.gz UWCQSQABJXQURD-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000610771693 1038301418 /nfs/dbraw/zinc/30/14/18/1038301418.db2.gz SMLHHQIUXVXTLK-GOSISDBHSA-N 1 2 317.392 4.427 20 30 DIEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000610771693 1038301425 /nfs/dbraw/zinc/30/14/25/1038301425.db2.gz SMLHHQIUXVXTLK-GOSISDBHSA-N 1 2 317.392 4.427 20 30 DIEDLO CCOc1cccc(/C=[NH+]/CCc2c[nH]c3cccc(C)c23)c1O ZINC000728437337 1038483072 /nfs/dbraw/zinc/48/30/72/1038483072.db2.gz AQOCWMKYYQWBDR-CIAFOILYSA-N 1 2 322.408 4.242 20 30 DIEDLO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2Cl)C2CC2)o1 ZINC000615223695 1038563764 /nfs/dbraw/zinc/56/37/64/1038563764.db2.gz WNPXKUJLGORWLX-UHFFFAOYSA-N 1 2 300.789 4.278 20 30 DIEDLO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2Cl)C2CC2)o1 ZINC000615223695 1038563776 /nfs/dbraw/zinc/56/37/76/1038563776.db2.gz WNPXKUJLGORWLX-UHFFFAOYSA-N 1 2 300.789 4.278 20 30 DIEDLO C[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(C#N)cc1F ZINC000611589258 1038639327 /nfs/dbraw/zinc/63/93/27/1038639327.db2.gz VTAJIYADVCYLQV-QLJPJBMISA-N 1 2 316.763 4.135 20 30 DIEDLO C[C@@H](CCc1ccccc1)C[N@H+](CCC#N)Cc1ccccn1 ZINC000342748673 1038759908 /nfs/dbraw/zinc/75/99/08/1038759908.db2.gz XEGNCQBLUIZGKH-SFHVURJKSA-N 1 2 307.441 4.066 20 30 DIEDLO C[C@@H](CCc1ccccc1)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000342748673 1038759915 /nfs/dbraw/zinc/75/99/15/1038759915.db2.gz XEGNCQBLUIZGKH-SFHVURJKSA-N 1 2 307.441 4.066 20 30 DIEDLO CC(C)[N@H+](CCC#N)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000534341664 1039031510 /nfs/dbraw/zinc/03/15/10/1039031510.db2.gz NKNWFMNIYZCYPK-UHFFFAOYSA-N 1 2 302.752 4.065 20 30 DIEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000534341664 1039031528 /nfs/dbraw/zinc/03/15/28/1039031528.db2.gz NKNWFMNIYZCYPK-UHFFFAOYSA-N 1 2 302.752 4.065 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000539822527 1039347092 /nfs/dbraw/zinc/34/70/92/1039347092.db2.gz MJTSWIFXTYTQSP-RBUKOAKNSA-N 1 2 312.363 4.237 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000539822527 1039347106 /nfs/dbraw/zinc/34/71/06/1039347106.db2.gz MJTSWIFXTYTQSP-RBUKOAKNSA-N 1 2 312.363 4.237 20 30 DIEDLO C[C@H](C[N@@H+](CC#N)C1CCCC1)c1cccc(Br)c1 ZINC000539822874 1039352570 /nfs/dbraw/zinc/35/25/70/1039352570.db2.gz VTUHLQSVZYHQPN-CYBMUJFWSA-N 1 2 321.262 4.321 20 30 DIEDLO C[C@H](C[N@H+](CC#N)C1CCCC1)c1cccc(Br)c1 ZINC000539822874 1039352558 /nfs/dbraw/zinc/35/25/58/1039352558.db2.gz VTUHLQSVZYHQPN-CYBMUJFWSA-N 1 2 321.262 4.321 20 30 DIEDLO C=CCCCC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001272320333 1039390698 /nfs/dbraw/zinc/39/06/98/1039390698.db2.gz OQFLEXJVOGPIHT-UHFFFAOYSA-N 1 2 310.397 4.148 20 30 DIEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1SC(F)(F)F ZINC000161986485 1039562113 /nfs/dbraw/zinc/56/21/13/1039562113.db2.gz CXJWUZFSUYPMFK-JTQLQIEISA-N 1 2 318.364 4.041 20 30 DIEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1SC(F)(F)F ZINC000161986485 1039562132 /nfs/dbraw/zinc/56/21/32/1039562132.db2.gz CXJWUZFSUYPMFK-JTQLQIEISA-N 1 2 318.364 4.041 20 30 DIEDLO C[C@@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1cccc(Br)c1 ZINC000612406428 1040582590 /nfs/dbraw/zinc/58/25/90/1040582590.db2.gz LZJJINIFVHYDGF-XJKSGUPXSA-N 1 2 321.262 4.178 20 30 DIEDLO C[C@@H](C[N@H+]1CCC[C@](C)(C#N)C1)c1cccc(Br)c1 ZINC000612406428 1040582607 /nfs/dbraw/zinc/58/26/07/1040582607.db2.gz LZJJINIFVHYDGF-XJKSGUPXSA-N 1 2 321.262 4.178 20 30 DIEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC000570938947 1040949354 /nfs/dbraw/zinc/94/93/54/1040949354.db2.gz COVWZQSDFTXXGV-GOSISDBHSA-N 1 2 323.440 4.059 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc(OCC)cc1)c1ccc(Cl)cc1F ZINC000809699208 1041218639 /nfs/dbraw/zinc/21/86/39/1041218639.db2.gz LFXHGXVXUAFEIV-SFHVURJKSA-N 1 2 317.791 4.342 20 30 DIEDLO CCCCCCCCC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000747670919 1041477415 /nfs/dbraw/zinc/47/74/15/1041477415.db2.gz AIVNWGBSDNJOMN-UHFFFAOYSA-N 1 2 306.450 4.074 20 30 DIEDLO Oc1ccc2ccccc2c1/C=[NH+]/C[C@H]1COc2ccccc2C1 ZINC000747712540 1041514483 /nfs/dbraw/zinc/51/44/83/1041514483.db2.gz BCTUZNLPDNEIHX-NSMHLIOHSA-N 1 2 317.388 4.216 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccccc1 ZINC000893236313 1041570428 /nfs/dbraw/zinc/57/04/28/1041570428.db2.gz FQSUEYLMLPISEU-ZDUSSCGKSA-N 1 2 310.344 4.016 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc2cc(OC)ccc2o1)c1ccc(F)cc1 ZINC000812793891 1041650732 /nfs/dbraw/zinc/65/07/32/1041650732.db2.gz JFXVCLJQDYUQRR-GOSISDBHSA-N 1 2 309.340 4.045 20 30 DIEDLO CCC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(N)c1 ZINC000814694332 1041855263 /nfs/dbraw/zinc/85/52/63/1041855263.db2.gz FWPLEUINPOEPLQ-UHFFFAOYSA-N 1 2 318.764 4.057 20 30 DIEDLO CC(=[NH+]Nc1ccc(Br)cc1)c1cc(N)ccc1F ZINC000814795631 1041867782 /nfs/dbraw/zinc/86/77/82/1041867782.db2.gz DINGNEDTRVVVDO-UHFFFAOYSA-N 1 2 322.181 4.007 20 30 DIEDLO COc1cc(N[NH+]=C(C)c2ccc(Cl)c(N)c2)ccc1Cl ZINC000814919648 1041894643 /nfs/dbraw/zinc/89/46/43/1041894643.db2.gz OOWXRAZFXPHZQU-UHFFFAOYSA-N 1 2 324.211 4.420 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnc(Cl)c1Cl ZINC000822525816 1042288410 /nfs/dbraw/zinc/28/84/10/1042288410.db2.gz NPRXBTSEKNCBRE-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(Cl)c1Cl ZINC000822525816 1042288418 /nfs/dbraw/zinc/28/84/18/1042288418.db2.gz NPRXBTSEKNCBRE-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000823616632 1042334912 /nfs/dbraw/zinc/33/49/12/1042334912.db2.gz BGYHQSFAURRVPR-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000823616632 1042334918 /nfs/dbraw/zinc/33/49/18/1042334918.db2.gz BGYHQSFAURRVPR-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C#CC[N@H+](Cc1cc(-c2ccco2)on1)[C@H]1CCc2ccccc21 ZINC000728913164 1042364825 /nfs/dbraw/zinc/36/48/25/1042364825.db2.gz FXOJIWHQHCIERS-SFHVURJKSA-N 1 2 318.376 4.057 20 30 DIEDLO C#CC[N@@H+](Cc1cc(-c2ccco2)on1)[C@H]1CCc2ccccc21 ZINC000728913164 1042364829 /nfs/dbraw/zinc/36/48/29/1042364829.db2.gz FXOJIWHQHCIERS-SFHVURJKSA-N 1 2 318.376 4.057 20 30 DIEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000893977065 1042399988 /nfs/dbraw/zinc/39/99/88/1042399988.db2.gz UZMWFPKOIUCKTJ-OLZOCXBDSA-N 1 2 304.438 4.096 20 30 DIEDLO N#CCC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000425978440 1042427282 /nfs/dbraw/zinc/42/72/82/1042427282.db2.gz ZCXNTRKQUNSPKS-UHFFFAOYSA-N 1 2 304.752 4.275 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(F)c1F ZINC000614352877 1042476426 /nfs/dbraw/zinc/47/64/26/1042476426.db2.gz PTAHFWUOJPWRGM-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(F)c1F ZINC000614352877 1042476429 /nfs/dbraw/zinc/47/64/29/1042476429.db2.gz PTAHFWUOJPWRGM-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(Br)cs1 ZINC000513724611 1042608168 /nfs/dbraw/zinc/60/81/68/1042608168.db2.gz IBZVYWJPIPLCIM-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(Br)cs1 ZINC000513724611 1042608164 /nfs/dbraw/zinc/60/81/64/1042608164.db2.gz IBZVYWJPIPLCIM-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421323512 1042630029 /nfs/dbraw/zinc/63/00/29/1042630029.db2.gz WEGOZKCWCMYNGN-INIZCTEOSA-N 1 2 322.456 4.257 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421323512 1042630032 /nfs/dbraw/zinc/63/00/32/1042630032.db2.gz WEGOZKCWCMYNGN-INIZCTEOSA-N 1 2 322.456 4.257 20 30 DIEDLO Cc1cc(C)c(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000425687855 1042846287 /nfs/dbraw/zinc/84/62/87/1042846287.db2.gz VLFHKTVHBFOSDH-HNNXBMFYSA-N 1 2 322.412 4.103 20 30 DIEDLO C=CC[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC000188859571 1043130366 /nfs/dbraw/zinc/13/03/66/1043130366.db2.gz WZPAYQUEFJMOQR-GOSISDBHSA-N 1 2 317.392 4.375 20 30 DIEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(OC)cc1 ZINC000866216038 1043160664 /nfs/dbraw/zinc/16/06/64/1043160664.db2.gz PROZZWLHSFKRHG-UGSOOPFHSA-N 1 2 310.397 4.074 20 30 DIEDLO COc1ccc([C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C2CC2)cc1 ZINC000866221084 1043162933 /nfs/dbraw/zinc/16/29/33/1043162933.db2.gz NGHZWYMLNAGOEE-BFUOFWGJSA-N 1 2 322.408 4.074 20 30 DIEDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1OC ZINC000866228846 1043162965 /nfs/dbraw/zinc/16/29/65/1043162965.db2.gz LELHYJSHSMDPJO-SUMWQHHRSA-N 1 2 310.397 4.074 20 30 DIEDLO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866293447 1043175842 /nfs/dbraw/zinc/17/58/42/1043175842.db2.gz OTRPKIALXNPASF-ACJLOTCBSA-N 1 2 322.408 4.001 20 30 DIEDLO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)c1cccc(C#N)c1O ZINC000866315514 1043179407 /nfs/dbraw/zinc/17/94/07/1043179407.db2.gz LCRLOOWVSSYNNA-CQSZACIVSA-N 1 2 307.397 4.037 20 30 DIEDLO C[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866364930 1043189601 /nfs/dbraw/zinc/18/96/01/1043189601.db2.gz SVJFDTLYVHSKLW-XIKOKIGWSA-N 1 2 310.372 4.131 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185252320 1043198539 /nfs/dbraw/zinc/19/85/39/1043198539.db2.gz NCJGPYMZGBUIQJ-ZIAGYGMSSA-N 1 2 324.428 4.401 20 30 DIEDLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3ccc(C#N)cc3)nc2c1 ZINC000574726179 1043235671 /nfs/dbraw/zinc/23/56/71/1043235671.db2.gz VLTKGKIIYKWNPA-LJQANCHMSA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3ccc(C#N)cc3)nc2c1 ZINC000574726179 1043235676 /nfs/dbraw/zinc/23/56/76/1043235676.db2.gz VLTKGKIIYKWNPA-LJQANCHMSA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000574726179 1043235682 /nfs/dbraw/zinc/23/56/82/1043235682.db2.gz VLTKGKIIYKWNPA-LJQANCHMSA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000574726179 1043235687 /nfs/dbraw/zinc/23/56/87/1043235687.db2.gz VLTKGKIIYKWNPA-LJQANCHMSA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1csc([C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)C2CC2)n1 ZINC000187453488 1043245305 /nfs/dbraw/zinc/24/53/05/1043245305.db2.gz NHLDCELSTOBTBQ-HNNXBMFYSA-N 1 2 317.845 4.218 20 30 DIEDLO N#Cc1cccc(CNc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)c1 ZINC000192215884 1043267020 /nfs/dbraw/zinc/26/70/20/1043267020.db2.gz KDIGQRHGJBGSKV-FXAWDEMLSA-N 1 2 303.409 4.159 20 30 DIEDLO N#Cc1cccc(CNc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)c1 ZINC000192215884 1043267026 /nfs/dbraw/zinc/26/70/26/1043267026.db2.gz KDIGQRHGJBGSKV-FXAWDEMLSA-N 1 2 303.409 4.159 20 30 DIEDLO CCC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ncccc1Cl ZINC000925477500 1043420721 /nfs/dbraw/zinc/42/07/21/1043420721.db2.gz REORGZCPDVTYCC-MRXNPFEDSA-N 1 2 317.795 4.377 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(Br)cs1 ZINC000353420558 1043606347 /nfs/dbraw/zinc/60/63/47/1043606347.db2.gz SCFMNIYFKDVYHT-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(Br)cs1 ZINC000353420558 1043606353 /nfs/dbraw/zinc/60/63/53/1043606353.db2.gz SCFMNIYFKDVYHT-UHFFFAOYSA-N 1 2 315.280 4.272 20 30 DIEDLO CC[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1cccc(C#N)c1O ZINC000926712974 1043621082 /nfs/dbraw/zinc/62/10/82/1043621082.db2.gz UJYIJOXGVJACCT-GULBITTBSA-N 1 2 320.383 4.273 20 30 DIEDLO CCCCCCCCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125559818 1043635356 /nfs/dbraw/zinc/63/53/56/1043635356.db2.gz ZANHQWGENGAGBU-IRXDYDNUSA-N 1 2 305.466 4.043 20 30 DIEDLO CC[N@H+](Cc1nc(Cl)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000876597496 1043701107 /nfs/dbraw/zinc/70/11/07/1043701107.db2.gz DQTXYJITKDMBKR-LLVKDONJSA-N 1 2 305.834 4.251 20 30 DIEDLO CC[N@@H+](Cc1nc(Cl)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000876597496 1043701122 /nfs/dbraw/zinc/70/11/22/1043701122.db2.gz DQTXYJITKDMBKR-LLVKDONJSA-N 1 2 305.834 4.251 20 30 DIEDLO Cc1cc([NH2+]C2CCC(C#N)CC2)ccc1N1CCSCC1 ZINC000876855618 1043719767 /nfs/dbraw/zinc/71/97/67/1043719767.db2.gz XFVIHBCBAQLCSW-UHFFFAOYSA-N 1 2 315.486 4.043 20 30 DIEDLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(C#N)c(F)c1 ZINC000777655296 1043728394 /nfs/dbraw/zinc/72/83/94/1043728394.db2.gz HTQSODZHMCGHBW-ZDUSSCGKSA-N 1 2 309.388 4.253 20 30 DIEDLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(C#N)c(F)c1 ZINC000777655296 1043728404 /nfs/dbraw/zinc/72/84/04/1043728404.db2.gz HTQSODZHMCGHBW-ZDUSSCGKSA-N 1 2 309.388 4.253 20 30 DIEDLO C=CCC[C@@H]([NH2+]c1ccc(N2CCOC[C@H]2C)cc1)C1CC1 ZINC000777691806 1043756485 /nfs/dbraw/zinc/75/64/85/1043756485.db2.gz FTOKFJAYQGZGDE-DNVCBOLYSA-N 1 2 300.446 4.068 20 30 DIEDLO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(C#N)cs2)o1 ZINC000356127527 1043812708 /nfs/dbraw/zinc/81/27/08/1043812708.db2.gz WGQVFMWLSRZBIH-HNNXBMFYSA-N 1 2 315.442 4.287 20 30 DIEDLO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(C#N)cs2)o1 ZINC000356127527 1043812720 /nfs/dbraw/zinc/81/27/20/1043812720.db2.gz WGQVFMWLSRZBIH-HNNXBMFYSA-N 1 2 315.442 4.287 20 30 DIEDLO CC[N@H+](Cc1csc(Cl)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000289970986 1043901628 /nfs/dbraw/zinc/90/16/28/1043901628.db2.gz JCNHMNKMEJMQNH-LLVKDONJSA-N 1 2 305.834 4.251 20 30 DIEDLO CC[N@@H+](Cc1csc(Cl)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000289970986 1043901638 /nfs/dbraw/zinc/90/16/38/1043901638.db2.gz JCNHMNKMEJMQNH-LLVKDONJSA-N 1 2 305.834 4.251 20 30 DIEDLO Cc1cc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)ccc1C#N ZINC000561954890 1044036201 /nfs/dbraw/zinc/03/62/01/1044036201.db2.gz YWTUNGAKSKKJFG-UHFFFAOYSA-N 1 2 315.420 4.227 20 30 DIEDLO Cc1cc(C[N@H+]2CCCn3c(cc4ccccc43)C2)ccc1C#N ZINC000561954890 1044036217 /nfs/dbraw/zinc/03/62/17/1044036217.db2.gz YWTUNGAKSKKJFG-UHFFFAOYSA-N 1 2 315.420 4.227 20 30 DIEDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000561961951 1044039190 /nfs/dbraw/zinc/03/91/90/1044039190.db2.gz QXMOJONIPPXQNQ-GOSISDBHSA-N 1 2 312.388 4.289 20 30 DIEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000561961951 1044039204 /nfs/dbraw/zinc/03/92/04/1044039204.db2.gz QXMOJONIPPXQNQ-GOSISDBHSA-N 1 2 312.388 4.289 20 30 DIEDLO C=CC[C@@H]1N(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCCC1(C)C ZINC000443858367 1044045544 /nfs/dbraw/zinc/04/55/44/1044045544.db2.gz KEOXCXKFRZIYIV-SFHVURJKSA-N 1 2 323.440 4.079 20 30 DIEDLO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cc(F)ccc1OC ZINC000932470728 1044132253 /nfs/dbraw/zinc/13/22/53/1044132253.db2.gz YLJFLAZQWGHTOV-KRWDZBQOSA-N 1 2 316.351 4.086 20 30 DIEDLO CSc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1F ZINC000132717289 1044330984 /nfs/dbraw/zinc/33/09/84/1044330984.db2.gz OITOXDAXQXGIIV-VOTSOKGWSA-N 1 2 312.369 4.091 20 30 DIEDLO C=CC[N@H+](Cc1nnc(-c2cccc3ccccc32)o1)C1CC1 ZINC000639559463 1044374710 /nfs/dbraw/zinc/37/47/10/1044374710.db2.gz QAWQPRCOCAEJGJ-UHFFFAOYSA-N 1 2 305.381 4.040 20 30 DIEDLO C=CC[N@@H+](Cc1nnc(-c2cccc3ccccc32)o1)C1CC1 ZINC000639559463 1044374723 /nfs/dbraw/zinc/37/47/23/1044374723.db2.gz QAWQPRCOCAEJGJ-UHFFFAOYSA-N 1 2 305.381 4.040 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccc(C#N)cc1 ZINC000367677706 1044749785 /nfs/dbraw/zinc/74/97/85/1044749785.db2.gz GOKGZAIRAKJBFX-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO CC(C)(C)c1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)no1 ZINC000367708745 1044751286 /nfs/dbraw/zinc/75/12/86/1044751286.db2.gz RLQYBLAESXUPAL-UHFFFAOYSA-N 1 2 321.424 4.133 20 30 DIEDLO CC(C)(C)c1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)no1 ZINC000367708745 1044751299 /nfs/dbraw/zinc/75/12/99/1044751299.db2.gz RLQYBLAESXUPAL-UHFFFAOYSA-N 1 2 321.424 4.133 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000371784540 1044890384 /nfs/dbraw/zinc/89/03/84/1044890384.db2.gz AWOHNIMUKKUWGJ-WMZOPIPTSA-N 1 2 317.392 4.100 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000371784540 1044890403 /nfs/dbraw/zinc/89/04/03/1044890403.db2.gz AWOHNIMUKKUWGJ-WMZOPIPTSA-N 1 2 317.392 4.100 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000575136191 1044987287 /nfs/dbraw/zinc/98/72/87/1044987287.db2.gz WSFLTBJIWXFLGX-AWEZNQCLSA-N 1 2 311.429 4.079 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000575136191 1044987295 /nfs/dbraw/zinc/98/72/95/1044987295.db2.gz WSFLTBJIWXFLGX-AWEZNQCLSA-N 1 2 311.429 4.079 20 30 DIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428471638 1045100044 /nfs/dbraw/zinc/10/00/44/1045100044.db2.gz BLPIKBJGRKFGLO-NSHDSACASA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428471638 1045100051 /nfs/dbraw/zinc/10/00/51/1045100051.db2.gz BLPIKBJGRKFGLO-NSHDSACASA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428471637 1045100226 /nfs/dbraw/zinc/10/02/26/1045100226.db2.gz BLPIKBJGRKFGLO-LLVKDONJSA-N 1 2 304.315 4.169 20 30 DIEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428471637 1045100229 /nfs/dbraw/zinc/10/02/29/1045100229.db2.gz BLPIKBJGRKFGLO-LLVKDONJSA-N 1 2 304.315 4.169 20 30 DIEDLO CCCCCCC[C@@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)OC(C)(C)C ZINC001258039636 1045119553 /nfs/dbraw/zinc/11/95/53/1045119553.db2.gz VBWLAJOBCCXWLP-OAGGEKHMSA-N 1 2 315.498 4.070 20 30 DIEDLO CC[C@@H]([NH2+][C@H]1CCOc2c(C)cccc21)c1cccc(C#N)c1O ZINC000924888017 1045208396 /nfs/dbraw/zinc/20/83/96/1045208396.db2.gz VOBFOQFLFVOUPW-MSOLQXFVSA-N 1 2 322.408 4.137 20 30 DIEDLO N#CCC[N@@H+](Cc1cnc(-c2ccccc2F)s1)CC1CC1 ZINC000449024025 1045338049 /nfs/dbraw/zinc/33/80/49/1045338049.db2.gz XHBVAFZPDMTZSL-UHFFFAOYSA-N 1 2 315.417 4.075 20 30 DIEDLO N#CCC[N@H+](Cc1cnc(-c2ccccc2F)s1)CC1CC1 ZINC000449024025 1045338057 /nfs/dbraw/zinc/33/80/57/1045338057.db2.gz XHBVAFZPDMTZSL-UHFFFAOYSA-N 1 2 315.417 4.075 20 30 DIEDLO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000450450878 1045507369 /nfs/dbraw/zinc/50/73/69/1045507369.db2.gz IBHZREDOGGUCBW-LEWJYISDSA-N 1 2 318.420 4.161 20 30 DIEDLO CC(=O)c1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000450450878 1045507375 /nfs/dbraw/zinc/50/73/75/1045507375.db2.gz IBHZREDOGGUCBW-LEWJYISDSA-N 1 2 318.420 4.161 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3\C[C@@H](C)c4ccccc4C3=O)n21 ZINC000751537520 1045613645 /nfs/dbraw/zinc/61/36/45/1045613645.db2.gz XOPNLURJCCNWMZ-WDGDVPDHSA-N 1 2 302.377 4.416 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3/C[C@@H](C)c4ccccc4C3=O)n21 ZINC000751537519 1045613709 /nfs/dbraw/zinc/61/37/09/1045613709.db2.gz XOPNLURJCCNWMZ-LKKYZFDUSA-N 1 2 302.377 4.416 20 30 DIEDLO C=CCC1(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCCC1 ZINC000451363515 1045671122 /nfs/dbraw/zinc/67/11/22/1045671122.db2.gz SVHZLATWSIZDNW-UHFFFAOYSA-N 1 2 309.413 4.460 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2[nH]c3ccc(F)cc3c2C1=O ZINC000901453673 1045737146 /nfs/dbraw/zinc/73/71/46/1045737146.db2.gz MOLKREDJFRVORY-KPKJPENVSA-N 1 2 323.371 4.297 20 30 DIEDLO Cc1[nH]c(/C=C2/CCOc3c(Cl)cc(C)cc3C2=O)[nH+]c1C ZINC000901485619 1045746763 /nfs/dbraw/zinc/74/67/63/1045746763.db2.gz MKMUKQHFZXJPJQ-WQLSENKSSA-N 1 2 316.788 4.037 20 30 DIEDLO Cc1[nH]c(/C=C2\CCOc3c(C)cc(Cl)cc3C2=O)[nH+]c1C ZINC000901485570 1045746807 /nfs/dbraw/zinc/74/68/07/1045746807.db2.gz LCOBQNCEWCJZNS-KPKJPENVSA-N 1 2 316.788 4.037 20 30 DIEDLO CC(=[NH+]Nc1cc(C(F)(F)F)ccc1F)c1ccc(N)cc1 ZINC000753946362 1045821386 /nfs/dbraw/zinc/82/13/86/1045821386.db2.gz GXKGMMWOINLMRD-UHFFFAOYSA-N 1 2 311.282 4.263 20 30 DIEDLO Cc1cc(CNc2ccc(CCC#N)cc2)c2c([nH+]1)CCCC2 ZINC000902653606 1046039754 /nfs/dbraw/zinc/03/97/54/1046039754.db2.gz JTVXZCABFRJHRM-UHFFFAOYSA-N 1 2 305.425 4.337 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001138085644 1046087342 /nfs/dbraw/zinc/08/73/42/1046087342.db2.gz RADXZOPROAMDIS-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001138085644 1046087353 /nfs/dbraw/zinc/08/73/53/1046087353.db2.gz RADXZOPROAMDIS-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO C[N@H+](CCC#N)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC001138514343 1046206660 /nfs/dbraw/zinc/20/66/60/1046206660.db2.gz QGOSMSQFFVPSBP-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO C[N@@H+](CCC#N)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC001138514343 1046206678 /nfs/dbraw/zinc/20/66/78/1046206678.db2.gz QGOSMSQFFVPSBP-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO O=C1c2cccc(Cl)c2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000758038878 1046242389 /nfs/dbraw/zinc/24/23/89/1046242389.db2.gz GXZMWVWDOMUWCL-ZRDIBKRKSA-N 1 2 308.768 4.200 20 30 DIEDLO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](CCC#N)Cc1cccnc1 ZINC001168170522 1046243280 /nfs/dbraw/zinc/24/32/80/1046243280.db2.gz MOJMNAYPUPBQDB-HNNXBMFYSA-N 1 2 313.832 4.082 20 30 DIEDLO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001168170522 1046243290 /nfs/dbraw/zinc/24/32/90/1046243290.db2.gz MOJMNAYPUPBQDB-HNNXBMFYSA-N 1 2 313.832 4.082 20 30 DIEDLO C=CCc1cccc(C[N@H+](CCC#N)Cc2ccccc2)c1O ZINC001138623415 1046247767 /nfs/dbraw/zinc/24/77/67/1046247767.db2.gz FLUIODVESYCFNA-UHFFFAOYSA-N 1 2 306.409 4.037 20 30 DIEDLO C=CCc1cccc(C[N@@H+](CCC#N)Cc2ccccc2)c1O ZINC001138623415 1046247778 /nfs/dbraw/zinc/24/77/78/1046247778.db2.gz FLUIODVESYCFNA-UHFFFAOYSA-N 1 2 306.409 4.037 20 30 DIEDLO C=C(C)COc1ccccc1C[N@H+](C)Cc1nc2ccccc2o1 ZINC001138664952 1046260616 /nfs/dbraw/zinc/26/06/16/1046260616.db2.gz BNOSQJNGRRZDDG-UHFFFAOYSA-N 1 2 322.408 4.415 20 30 DIEDLO C=C(C)COc1ccccc1C[N@@H+](C)Cc1nc2ccccc2o1 ZINC001138664952 1046260619 /nfs/dbraw/zinc/26/06/19/1046260619.db2.gz BNOSQJNGRRZDDG-UHFFFAOYSA-N 1 2 322.408 4.415 20 30 DIEDLO C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC001138661956 1046261008 /nfs/dbraw/zinc/26/10/08/1046261008.db2.gz KHANZARMYTYKEA-HXUWFJFHSA-N 1 2 323.436 4.215 20 30 DIEDLO C=C(C)COc1ccccc1C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC001138661956 1046261016 /nfs/dbraw/zinc/26/10/16/1046261016.db2.gz KHANZARMYTYKEA-HXUWFJFHSA-N 1 2 323.436 4.215 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000758723517 1046288438 /nfs/dbraw/zinc/28/84/38/1046288438.db2.gz XIGPRMIDDBLCBV-QEEYODRMSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000758723517 1046288447 /nfs/dbraw/zinc/28/84/47/1046288447.db2.gz XIGPRMIDDBLCBV-QEEYODRMSA-N 1 2 324.399 4.048 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc2ccccc2s1 ZINC000780188318 1046378480 /nfs/dbraw/zinc/37/84/80/1046378480.db2.gz LJHAJDOEJGQLIZ-HJWRWDBZSA-N 1 2 304.374 4.445 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc2cc(O)ccc2c1 ZINC000749001679 1046423175 /nfs/dbraw/zinc/42/31/75/1046423175.db2.gz IFLSGUTXIARUKP-CLFYSBASSA-N 1 2 314.344 4.089 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3c[nH]c4ccccc34)n21 ZINC000748999924 1046423214 /nfs/dbraw/zinc/42/32/14/1046423214.db2.gz ZIULGLNGIQCUFE-KTKRTIGZSA-N 1 2 301.349 4.020 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001139303435 1046427234 /nfs/dbraw/zinc/42/72/34/1046427234.db2.gz VFLYMRAVWVZABN-LJQANCHMSA-N 1 2 310.372 4.354 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001139303435 1046427240 /nfs/dbraw/zinc/42/72/40/1046427240.db2.gz VFLYMRAVWVZABN-LJQANCHMSA-N 1 2 310.372 4.354 20 30 DIEDLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(C#N)cc1F ZINC000781423964 1046443992 /nfs/dbraw/zinc/44/39/92/1046443992.db2.gz ZWEZYGAFBZAINR-CYBMUJFWSA-N 1 2 309.388 4.253 20 30 DIEDLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(C#N)cc1F ZINC000781423964 1046443996 /nfs/dbraw/zinc/44/39/96/1046443996.db2.gz ZWEZYGAFBZAINR-CYBMUJFWSA-N 1 2 309.388 4.253 20 30 DIEDLO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000781423405 1046444639 /nfs/dbraw/zinc/44/46/39/1046444639.db2.gz UZSVKXAJIRJUGV-CQSZACIVSA-N 1 2 309.388 4.471 20 30 DIEDLO N#C[C@@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3s2)C1 ZINC001139668718 1046496593 /nfs/dbraw/zinc/49/65/93/1046496593.db2.gz GGYKDQKDOCZGFV-JTQLQIEISA-N 1 2 321.243 4.009 20 30 DIEDLO N#C[C@@H]1CC[N@H+](Cc2cc3cc(Br)ccc3s2)C1 ZINC001139668718 1046496598 /nfs/dbraw/zinc/49/65/98/1046496598.db2.gz GGYKDQKDOCZGFV-JTQLQIEISA-N 1 2 321.243 4.009 20 30 DIEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001139687369 1046499781 /nfs/dbraw/zinc/49/97/81/1046499781.db2.gz OZIFCYDWVKFEMY-UHFFFAOYSA-N 1 2 310.775 4.223 20 30 DIEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134465406 1046546251 /nfs/dbraw/zinc/54/62/51/1046546251.db2.gz FGOMQDIXWQUNLE-SECBINFHSA-N 1 2 310.772 4.094 20 30 DIEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134465406 1046546258 /nfs/dbraw/zinc/54/62/58/1046546258.db2.gz FGOMQDIXWQUNLE-SECBINFHSA-N 1 2 310.772 4.094 20 30 DIEDLO CSc1nccc(C[N@H+](CCC#N)C2CCCCCCC2)n1 ZINC001140037697 1046576341 /nfs/dbraw/zinc/57/63/41/1046576341.db2.gz BMPMXAFBQUHLAC-UHFFFAOYSA-N 1 2 318.490 4.027 20 30 DIEDLO CSc1nccc(C[N@@H+](CCC#N)C2CCCCCCC2)n1 ZINC001140037697 1046576353 /nfs/dbraw/zinc/57/63/53/1046576353.db2.gz BMPMXAFBQUHLAC-UHFFFAOYSA-N 1 2 318.490 4.027 20 30 DIEDLO CCOc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783699697 1046623764 /nfs/dbraw/zinc/62/37/64/1046623764.db2.gz FTPZAVYSWJBLMB-BQYQJAHWSA-N 1 2 324.405 4.229 20 30 DIEDLO CCc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)s1 ZINC000783702506 1046624210 /nfs/dbraw/zinc/62/42/10/1046624210.db2.gz YQALSJAWDCWYNU-HYXAFXHYSA-N 1 2 314.435 4.454 20 30 DIEDLO COc1cc(C)ccc1C(=O)/C=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783704625 1046624987 /nfs/dbraw/zinc/62/49/87/1046624987.db2.gz BGWKNCQDKVBARI-XQRVVYSFSA-N 1 2 324.405 4.147 20 30 DIEDLO Cc1cc(C)cc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783708377 1046625484 /nfs/dbraw/zinc/62/54/84/1046625484.db2.gz YAXWRRSPEJNDBA-ONEGZZNKSA-N 1 2 308.406 4.447 20 30 DIEDLO Cc1c(Cl)cccc1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783827432 1046634077 /nfs/dbraw/zinc/63/40/77/1046634077.db2.gz KTCPQLBIBLWNSX-UHFFFAOYSA-N 1 2 316.817 4.342 20 30 DIEDLO CC(=[NH+]Nc1ccc(C#N)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000783878483 1046640823 /nfs/dbraw/zinc/64/08/23/1046640823.db2.gz VUPNBTMHIXSJBD-UHFFFAOYSA-N 1 2 312.804 4.114 20 30 DIEDLO C[N@H+](Cc1csc(-c2ccccc2)n1)Cc1cccc(C#N)c1 ZINC000026324036 1046700808 /nfs/dbraw/zinc/70/08/08/1046700808.db2.gz SHAUSMZEJJFOEF-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO C[N@@H+](Cc1csc(-c2ccccc2)n1)Cc1cccc(C#N)c1 ZINC000026324036 1046700819 /nfs/dbraw/zinc/70/08/19/1046700819.db2.gz SHAUSMZEJJFOEF-UHFFFAOYSA-N 1 2 319.433 4.314 20 30 DIEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC#Cc1ccccc1Cl ZINC000679542687 1046863595 /nfs/dbraw/zinc/86/35/95/1046863595.db2.gz BAWBEMLRSVCLAF-OCCSQVGLSA-N 1 2 315.766 4.354 20 30 DIEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC#Cc1ccccc1Cl ZINC000679542687 1046863608 /nfs/dbraw/zinc/86/36/08/1046863608.db2.gz BAWBEMLRSVCLAF-OCCSQVGLSA-N 1 2 315.766 4.354 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000161942370 1046918422 /nfs/dbraw/zinc/91/84/22/1046918422.db2.gz DHLSPXRORXSNQX-HNNXBMFYSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000161942370 1046918434 /nfs/dbraw/zinc/91/84/34/1046918434.db2.gz DHLSPXRORXSNQX-HNNXBMFYSA-N 1 2 312.388 4.139 20 30 DIEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1ccc(C#N)cc1 ZINC000475997705 1046937354 /nfs/dbraw/zinc/93/73/54/1046937354.db2.gz NNANDJMTMALARI-UHFFFAOYSA-N 1 2 305.406 4.345 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141207489 1047046924 /nfs/dbraw/zinc/04/69/24/1047046924.db2.gz CNMLHRQKDXSVQZ-UHFFFAOYSA-N 1 2 311.404 4.403 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141207489 1047046939 /nfs/dbraw/zinc/04/69/39/1047046939.db2.gz CNMLHRQKDXSVQZ-UHFFFAOYSA-N 1 2 311.404 4.403 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141295731 1047079768 /nfs/dbraw/zinc/07/97/68/1047079768.db2.gz JDAQJPUCZYQODP-HXUWFJFHSA-N 1 2 317.392 4.086 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141295731 1047079785 /nfs/dbraw/zinc/07/97/85/1047079785.db2.gz JDAQJPUCZYQODP-HXUWFJFHSA-N 1 2 317.392 4.086 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141295729 1047080001 /nfs/dbraw/zinc/08/00/01/1047080001.db2.gz JDAQJPUCZYQODP-FQEVSTJZSA-N 1 2 317.392 4.086 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141295729 1047080020 /nfs/dbraw/zinc/08/00/20/1047080020.db2.gz JDAQJPUCZYQODP-FQEVSTJZSA-N 1 2 317.392 4.086 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317106 1047087752 /nfs/dbraw/zinc/08/77/52/1047087752.db2.gz KKDVHJRNMKIQEA-IBGZPJMESA-N 1 2 310.372 4.354 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317106 1047087769 /nfs/dbraw/zinc/08/77/69/1047087769.db2.gz KKDVHJRNMKIQEA-IBGZPJMESA-N 1 2 310.372 4.354 20 30 DIEDLO COc1ccc2c(c1)C[N@@H+](CC1(C#N)CC1)[C@H](c1ccccc1)C2 ZINC000537247836 1047156386 /nfs/dbraw/zinc/15/63/86/1047156386.db2.gz HKDJEXUGRZYCQE-FQEVSTJZSA-N 1 2 318.420 4.098 20 30 DIEDLO COc1ccc2c(c1)C[N@H+](CC1(C#N)CC1)[C@H](c1ccccc1)C2 ZINC000537247836 1047156395 /nfs/dbraw/zinc/15/63/95/1047156395.db2.gz HKDJEXUGRZYCQE-FQEVSTJZSA-N 1 2 318.420 4.098 20 30 DIEDLO C=CCC[C@H](CC)[NH2+][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000133070286 1047182365 /nfs/dbraw/zinc/18/23/65/1047182365.db2.gz GHGBVVQUUFGCTE-HOTGVXAUSA-N 1 2 319.836 4.455 20 30 DIEDLO C=CCC[C@@H](CC)[NH2+][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000133070494 1047183330 /nfs/dbraw/zinc/18/33/30/1047183330.db2.gz GHGBVVQUUFGCTE-CVEARBPZSA-N 1 2 319.836 4.455 20 30 DIEDLO C=C(C)C[N@@H+](CC)Cc1cc(F)c(F)cc1Br ZINC001142013358 1047344337 /nfs/dbraw/zinc/34/43/37/1047344337.db2.gz IIBLQWDSJULVRF-UHFFFAOYSA-N 1 2 304.178 4.125 20 30 DIEDLO C=C(C)C[N@H+](CC)Cc1cc(F)c(F)cc1Br ZINC001142013358 1047344343 /nfs/dbraw/zinc/34/43/43/1047344343.db2.gz IIBLQWDSJULVRF-UHFFFAOYSA-N 1 2 304.178 4.125 20 30 DIEDLO CCOc1ccc(/C=[NH+]/CCc2c(C)[nH]c3ccccc32)c(O)c1 ZINC000726890216 1047387125 /nfs/dbraw/zinc/38/71/25/1047387125.db2.gz JNUYUYSBIOWFOO-FYJGNVAPSA-N 1 2 322.408 4.242 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(C)nc1Cl)[C@@H]1CCc2ccccc21 ZINC001142140172 1047387367 /nfs/dbraw/zinc/38/73/67/1047387367.db2.gz OSUSITMBWTXDAZ-GOSISDBHSA-N 1 2 310.828 4.166 20 30 DIEDLO C#CC[N@H+](Cc1ccc(C)nc1Cl)[C@@H]1CCc2ccccc21 ZINC001142140172 1047387380 /nfs/dbraw/zinc/38/73/80/1047387380.db2.gz OSUSITMBWTXDAZ-GOSISDBHSA-N 1 2 310.828 4.166 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(Cl)c1O ZINC000842888518 1047512249 /nfs/dbraw/zinc/51/22/49/1047512249.db2.gz SBSXRILFGZCLIT-KRWDZBQOSA-N 1 2 314.816 4.353 20 30 DIEDLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143174346 1047537822 /nfs/dbraw/zinc/53/78/22/1047537822.db2.gz QKKFIYVFRGOPCB-SFHVURJKSA-N 1 2 312.363 4.346 20 30 DIEDLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143174346 1047537830 /nfs/dbraw/zinc/53/78/30/1047537830.db2.gz QKKFIYVFRGOPCB-SFHVURJKSA-N 1 2 312.363 4.346 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2cccs2)c1F ZINC001143170496 1047538015 /nfs/dbraw/zinc/53/80/15/1047538015.db2.gz HMTPIAXIIARLCS-AWEZNQCLSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2cccs2)c1F ZINC001143170496 1047538019 /nfs/dbraw/zinc/53/80/19/1047538019.db2.gz HMTPIAXIIARLCS-AWEZNQCLSA-N 1 2 304.365 4.235 20 30 DIEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1OCc1ccccc1 ZINC000093090367 1047542367 /nfs/dbraw/zinc/54/23/67/1047542367.db2.gz KKFUAVHUBQLOJW-INIZCTEOSA-N 1 2 324.424 4.008 20 30 DIEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1OCc1ccccc1 ZINC000093090367 1047542372 /nfs/dbraw/zinc/54/23/72/1047542372.db2.gz KKFUAVHUBQLOJW-INIZCTEOSA-N 1 2 324.424 4.008 20 30 DIEDLO COc1cc(C[N@H+](CCC#N)CCC(C)C)cc(Cl)c1OC ZINC000093100846 1047542930 /nfs/dbraw/zinc/54/29/30/1047542930.db2.gz KZZPUBZOZNHWTK-UHFFFAOYSA-N 1 2 324.852 4.119 20 30 DIEDLO COc1cc(C[N@@H+](CCC#N)CCC(C)C)cc(Cl)c1OC ZINC000093100846 1047542940 /nfs/dbraw/zinc/54/29/40/1047542940.db2.gz KZZPUBZOZNHWTK-UHFFFAOYSA-N 1 2 324.852 4.119 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)c(F)c1 ZINC000192631853 1047566934 /nfs/dbraw/zinc/56/69/34/1047566934.db2.gz HAXSVOFJNOVZRK-LJQANCHMSA-N 1 2 306.340 4.170 20 30 DIEDLO N#Cc1cc2c(nc1NC(=[NH2+])C13CC4CC(CC(C4)C1)C3)CCC2 ZINC001155962569 1047693761 /nfs/dbraw/zinc/69/37/61/1047693761.db2.gz UMEKNOIJLKVCSU-UHFFFAOYSA-N 1 2 320.440 4.048 20 30 DIEDLO N#Cc1ccccc1CNc1[nH+]cccc1OCc1ccccc1 ZINC001156786525 1047722733 /nfs/dbraw/zinc/72/27/33/1047722733.db2.gz DIUPTKFEWDPLNT-UHFFFAOYSA-N 1 2 315.376 4.144 20 30 DIEDLO CCCC[C@@H](CC)COCCCNc1cc(CC#N)cc[nH+]1 ZINC001157340908 1047740183 /nfs/dbraw/zinc/74/01/83/1047740183.db2.gz LLBZKDRNUHJQFL-MRXNPFEDSA-N 1 2 303.450 4.183 20 30 DIEDLO CC[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1cccc(C#N)c1O ZINC000927040326 1047771730 /nfs/dbraw/zinc/77/17/30/1047771730.db2.gz UMZCUWUYIPMGSO-ZBFHGGJFSA-N 1 2 316.470 4.123 20 30 DIEDLO Cc1sc(Nc2ccc(N3CCCCC3)[nH+]c2)c(C#N)c1C ZINC001174523478 1047885681 /nfs/dbraw/zinc/88/56/81/1047885681.db2.gz PPQOAIKYIIMIJH-UHFFFAOYSA-N 1 2 312.442 4.366 20 30 DIEDLO C[C@H](Nc1cc(CC#N)cc[nH+]1)c1ccccc1C(F)(F)F ZINC001159645340 1047892960 /nfs/dbraw/zinc/89/29/60/1047892960.db2.gz RHCVJUDVAMXOOW-NSHDSACASA-N 1 2 305.303 4.340 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000553879202 1047956227 /nfs/dbraw/zinc/95/62/27/1047956227.db2.gz MTMWGZJSRBQMMR-UHFFFAOYSA-N 1 2 318.289 4.109 20 30 DIEDLO CC(C)c1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)nc1 ZINC001160026371 1047972888 /nfs/dbraw/zinc/97/28/88/1047972888.db2.gz LSPCFYWSMGONPO-UHFFFAOYSA-N 1 2 305.381 4.101 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC001160180509 1047988532 /nfs/dbraw/zinc/98/85/32/1047988532.db2.gz BMXCSOUKUFHHCW-LBPRGKRZSA-N 1 2 308.385 4.004 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(C)[nH+]c(SC)n1 ZINC001160178785 1047989165 /nfs/dbraw/zinc/98/91/65/1047989165.db2.gz NIRLAVQWTDGZQT-CYBMUJFWSA-N 1 2 315.442 4.245 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001160183273 1047992793 /nfs/dbraw/zinc/99/27/93/1047992793.db2.gz ZXKDZZOUXBXOEQ-CQSZACIVSA-N 1 2 309.413 4.400 20 30 DIEDLO N#CCc1cc[nH+]c(N[C@@H](c2ccccc2)c2ccc(O)cc2)c1 ZINC001160494842 1048057502 /nfs/dbraw/zinc/05/75/02/1048057502.db2.gz FERVHLJGNWGYTA-FQEVSTJZSA-N 1 2 315.376 4.055 20 30 DIEDLO Cc1cccn2c([C@H](C)Nc3nc(C(C)C)ccc3C#N)c[nH+]c12 ZINC001160683757 1048078882 /nfs/dbraw/zinc/07/88/82/1048078882.db2.gz RLNQMGBVSKJURV-AWEZNQCLSA-N 1 2 319.412 4.206 20 30 DIEDLO Cc1noc2ccc(CNc3[nH+]ccc4ccc(C#N)cc43)cc12 ZINC001160865303 1048092803 /nfs/dbraw/zinc/09/28/03/1048092803.db2.gz VMDAUSFFHYEFRQ-UHFFFAOYSA-N 1 2 314.348 4.168 20 30 DIEDLO N#Cc1cccc2c(Nc3ccc[nH+]c3N3CCCC3)cccc12 ZINC001184969080 1048107436 /nfs/dbraw/zinc/10/74/36/1048107436.db2.gz WPHOYAKGFHJJKC-UHFFFAOYSA-N 1 2 314.392 4.450 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H](CC)c1ccn(C)n1)c1ccc(F)c(F)c1 ZINC000480659804 1048210203 /nfs/dbraw/zinc/21/02/03/1048210203.db2.gz DWGFFAZNWWMPRL-RDJZCZTQSA-N 1 2 305.372 4.056 20 30 DIEDLO Cc1cc(F)c(C#N)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001162073765 1048223462 /nfs/dbraw/zinc/22/34/62/1048223462.db2.gz LUVIINDAHXFEQG-UHFFFAOYSA-N 1 2 310.376 4.135 20 30 DIEDLO CCc1c(C)nc2sc(C#N)c(Nc3ccc(N)[nH+]c3)c2c1C ZINC001201279237 1048230912 /nfs/dbraw/zinc/23/09/12/1048230912.db2.gz MUIZGRLZOZICMQ-UHFFFAOYSA-N 1 2 323.425 4.068 20 30 DIEDLO N#Cc1oc2ccccc2c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350588 1048271480 /nfs/dbraw/zinc/27/14/80/1048271480.db2.gz WHYXTYDGCYMFHE-UHFFFAOYSA-N 1 2 304.353 4.043 20 30 DIEDLO N#Cc1cccc2c(Nc3ccc(N4CCCC4)[nH+]c3)cccc12 ZINC001175352624 1048273697 /nfs/dbraw/zinc/27/36/97/1048273697.db2.gz YPIMKSCIMRAJKR-UHFFFAOYSA-N 1 2 314.392 4.450 20 30 DIEDLO N#CC1(CNc2ccc3c(c2)[nH+]cn3-c2ccccc2)CCC1 ZINC001162412476 1048278408 /nfs/dbraw/zinc/27/84/08/1048278408.db2.gz URQHIGMVOJMOLE-UHFFFAOYSA-N 1 2 302.381 4.131 20 30 DIEDLO COc1cc(Nc2ccc(C(F)(F)F)cc2C#N)cc(C)[nH+]1 ZINC001201691439 1048359311 /nfs/dbraw/zinc/35/93/11/1048359311.db2.gz KDSZEADRTWIQQK-UHFFFAOYSA-N 1 2 307.275 4.033 20 30 DIEDLO C=CCOc1c(Cl)cc(C[N@H+](CCC#N)C(C)C)cc1OC ZINC000600111067 1048362401 /nfs/dbraw/zinc/36/24/01/1048362401.db2.gz KHPMTAGXNDSGKA-UHFFFAOYSA-N 1 2 322.836 4.037 20 30 DIEDLO C=CCOc1c(Cl)cc(C[N@@H+](CCC#N)C(C)C)cc1OC ZINC000600111067 1048362415 /nfs/dbraw/zinc/36/24/15/1048362415.db2.gz KHPMTAGXNDSGKA-UHFFFAOYSA-N 1 2 322.836 4.037 20 30 DIEDLO C#CCCC1(CCNc2cc(C3CCCCC3)[nH+]c(C)n2)N=N1 ZINC001163381138 1048462792 /nfs/dbraw/zinc/46/27/92/1048462792.db2.gz ROCUCXVOEKXFQF-UHFFFAOYSA-N 1 2 311.433 4.210 20 30 DIEDLO COc1cc[nH+]cc1Nc1ccccc1-c1ccc(C#N)cc1 ZINC001176123179 1048575305 /nfs/dbraw/zinc/57/53/05/1048575305.db2.gz LCWAUEMMKLZKNU-UHFFFAOYSA-N 1 2 301.349 4.372 20 30 DIEDLO N#CCC[N@H+](Cc1cc(Cl)ccc1OCC1CC1)CC1CC1 ZINC000482768981 1048676317 /nfs/dbraw/zinc/67/63/17/1048676317.db2.gz FOVXBMFMYORUSF-UHFFFAOYSA-N 1 2 318.848 4.254 20 30 DIEDLO N#CCC[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)CC1CC1 ZINC000482768981 1048676309 /nfs/dbraw/zinc/67/63/09/1048676309.db2.gz FOVXBMFMYORUSF-UHFFFAOYSA-N 1 2 318.848 4.254 20 30 DIEDLO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)n[nH]1 ZINC001176484336 1048695434 /nfs/dbraw/zinc/69/54/34/1048695434.db2.gz FWNJGJGCZSGSFH-IBGZPJMESA-N 1 2 322.456 4.247 20 30 DIEDLO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2C(C)(C)C#N)n[nH]1 ZINC001176484336 1048695437 /nfs/dbraw/zinc/69/54/37/1048695437.db2.gz FWNJGJGCZSGSFH-IBGZPJMESA-N 1 2 322.456 4.247 20 30 DIEDLO COc1cccc2[nH+]c(NC(C)(C)c3ccc(C#N)cc3)ccc21 ZINC001165734221 1048711037 /nfs/dbraw/zinc/71/10/37/1048711037.db2.gz CSOOSZNFURMNOW-UHFFFAOYSA-N 1 2 317.392 4.462 20 30 DIEDLO Cc1cccc(NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000160582763 1048716155 /nfs/dbraw/zinc/71/61/55/1048716155.db2.gz PFJRTQMZGIHQGU-UHFFFAOYSA-N 1 2 323.415 4.082 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000775401622 1048766711 /nfs/dbraw/zinc/76/67/11/1048766711.db2.gz WRAMAEKAAZMIOF-SFHVURJKSA-N 1 2 320.367 4.335 20 30 DIEDLO C#CC[N@@H+](CC)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC001191390861 1048932751 /nfs/dbraw/zinc/93/27/51/1048932751.db2.gz RHDJALRXJOTRMG-UHFFFAOYSA-N 1 2 309.196 4.104 20 30 DIEDLO C#CC[N@H+](CC)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC001191390861 1048932758 /nfs/dbraw/zinc/93/27/58/1048932758.db2.gz RHDJALRXJOTRMG-UHFFFAOYSA-N 1 2 309.196 4.104 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2c(C#N)cnn2-c2cccc(Cl)c2)c1 ZINC001203657573 1048950056 /nfs/dbraw/zinc/95/00/56/1048950056.db2.gz PGQFBEYCFSAQLF-UHFFFAOYSA-N 1 2 323.787 4.153 20 30 DIEDLO N#Cc1cc(Nc2ccc([NH+]3CCCCC3)cc2)c(O)cc1F ZINC001203724172 1048978663 /nfs/dbraw/zinc/97/86/63/1048978663.db2.gz HQAAYAZNUGIMGP-UHFFFAOYSA-N 1 2 311.360 4.137 20 30 DIEDLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000776767451 1049001628 /nfs/dbraw/zinc/00/16/28/1049001628.db2.gz ZAFBYUBIPGPEFF-HXUWFJFHSA-N 1 2 305.425 4.422 20 30 DIEDLO COc1ccc(Oc2cccc(C[N@@H+]3CCC[C@@H](C#N)C3)c2)cc1 ZINC001203817528 1049010439 /nfs/dbraw/zinc/01/04/39/1049010439.db2.gz ADSQCUIXSJVQDY-KRWDZBQOSA-N 1 2 322.408 4.223 20 30 DIEDLO COc1ccc(Oc2cccc(C[N@H+]3CCC[C@@H](C#N)C3)c2)cc1 ZINC001203817528 1049010450 /nfs/dbraw/zinc/01/04/50/1049010450.db2.gz ADSQCUIXSJVQDY-KRWDZBQOSA-N 1 2 322.408 4.223 20 30 DIEDLO N#Cc1c(C[N@@H+](Cc2cccc(F)c2)C2CC2)cn2ccccc12 ZINC000338995419 1049094492 /nfs/dbraw/zinc/09/44/92/1049094492.db2.gz IATBWWKYFOGICZ-UHFFFAOYSA-N 1 2 319.383 4.115 20 30 DIEDLO N#Cc1c(C[N@H+](Cc2cccc(F)c2)C2CC2)cn2ccccc12 ZINC000338995419 1049094505 /nfs/dbraw/zinc/09/45/05/1049094505.db2.gz IATBWWKYFOGICZ-UHFFFAOYSA-N 1 2 319.383 4.115 20 30 DIEDLO CCCCCCOc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001204294492 1049131889 /nfs/dbraw/zinc/13/18/89/1049131889.db2.gz QCHMDHYUOYOJNZ-IBGZPJMESA-N 1 2 300.446 4.381 20 30 DIEDLO CCCCCCOc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001204294492 1049131897 /nfs/dbraw/zinc/13/18/97/1049131897.db2.gz QCHMDHYUOYOJNZ-IBGZPJMESA-N 1 2 300.446 4.381 20 30 DIEDLO CCCCCCOc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001204294494 1049132552 /nfs/dbraw/zinc/13/25/52/1049132552.db2.gz QCHMDHYUOYOJNZ-LJQANCHMSA-N 1 2 300.446 4.381 20 30 DIEDLO CCCCCCOc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001204294494 1049132556 /nfs/dbraw/zinc/13/25/56/1049132556.db2.gz QCHMDHYUOYOJNZ-LJQANCHMSA-N 1 2 300.446 4.381 20 30 DIEDLO Fc1cccc(C(F)(F)F)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001204466889 1049168930 /nfs/dbraw/zinc/16/89/30/1049168930.db2.gz UBVTVWHRTPJWDK-QMMMGPOBSA-N 1 2 315.232 4.229 20 30 DIEDLO Fc1cccc(C(F)(F)F)c1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001204466889 1049168934 /nfs/dbraw/zinc/16/89/34/1049168934.db2.gz UBVTVWHRTPJWDK-QMMMGPOBSA-N 1 2 315.232 4.229 20 30 DIEDLO CCOc1cc(C[N@H+](CCC#N)CCC(C)C)cc(Cl)c1O ZINC001204498111 1049177195 /nfs/dbraw/zinc/17/71/95/1049177195.db2.gz XOVFMOMKRFBTNR-UHFFFAOYSA-N 1 2 324.852 4.206 20 30 DIEDLO CCOc1cc(C[N@@H+](CCC#N)CCC(C)C)cc(Cl)c1O ZINC001204498111 1049177199 /nfs/dbraw/zinc/17/71/99/1049177199.db2.gz XOVFMOMKRFBTNR-UHFFFAOYSA-N 1 2 324.852 4.206 20 30 DIEDLO C#CCOc1ccc(CNc2ccc3[nH+]c(C)cc(C)c3c2)cc1 ZINC001179588832 1049180609 /nfs/dbraw/zinc/18/06/09/1049180609.db2.gz OVZLXRJNCXPGQD-UHFFFAOYSA-N 1 2 316.404 4.476 20 30 DIEDLO N#CCC[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC001179772388 1049202487 /nfs/dbraw/zinc/20/24/87/1049202487.db2.gz YXQVKHGXYZCPRH-UHFFFAOYSA-N 1 2 304.752 4.275 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC001179997091 1049246243 /nfs/dbraw/zinc/24/62/43/1049246243.db2.gz CXDDRGAQWKRNKV-UHFFFAOYSA-N 1 2 305.780 4.373 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC001179997091 1049246251 /nfs/dbraw/zinc/24/62/51/1049246251.db2.gz CXDDRGAQWKRNKV-UHFFFAOYSA-N 1 2 305.780 4.373 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1F)Cc1c(C)cc(OC)nc1C ZINC001204736052 1049246350 /nfs/dbraw/zinc/24/63/50/1049246350.db2.gz HGQUGHCQGPASGA-UHFFFAOYSA-N 1 2 314.404 4.034 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1c(C)cc(OC)nc1C ZINC001204736052 1049246359 /nfs/dbraw/zinc/24/63/59/1049246359.db2.gz HGQUGHCQGPASGA-UHFFFAOYSA-N 1 2 314.404 4.034 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC001204946204 1049319649 /nfs/dbraw/zinc/31/96/49/1049319649.db2.gz MOSKITSYRPDUQA-OAQYLSRUSA-N 1 2 320.436 4.488 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC001204946204 1049319655 /nfs/dbraw/zinc/31/96/55/1049319655.db2.gz MOSKITSYRPDUQA-OAQYLSRUSA-N 1 2 320.436 4.488 20 30 DIEDLO COc1cc(C#N)ccc1COc1cc(C)[nH+]c2ccccc21 ZINC000486223514 1049401459 /nfs/dbraw/zinc/40/14/59/1049401459.db2.gz JZAQVQGVQQJYEI-UHFFFAOYSA-N 1 2 304.349 4.003 20 30 DIEDLO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC001194818246 1049433884 /nfs/dbraw/zinc/43/38/84/1049433884.db2.gz USFMIBYKJQLROS-OAHLLOKOSA-N 1 2 323.396 4.438 20 30 DIEDLO CC(C)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC001194818246 1049433888 /nfs/dbraw/zinc/43/38/88/1049433888.db2.gz USFMIBYKJQLROS-OAHLLOKOSA-N 1 2 323.396 4.438 20 30 DIEDLO CCCCCCCCCOC(=O)NCc1c[nH+]cn1C(C)C ZINC001194920631 1049449513 /nfs/dbraw/zinc/44/95/13/1049449513.db2.gz KJEOACTVUJSOIM-UHFFFAOYSA-N 1 2 309.454 4.441 20 30 DIEDLO CC(C)c1cccc2c1CC[N@H+](Cc1cccc(F)c1C#N)C2 ZINC001181410420 1049470016 /nfs/dbraw/zinc/47/00/16/1049470016.db2.gz LEAHKBUOYHAHCA-UHFFFAOYSA-N 1 2 308.400 4.379 20 30 DIEDLO CC(C)c1cccc2c1CC[N@@H+](Cc1cccc(F)c1C#N)C2 ZINC001181410420 1049470022 /nfs/dbraw/zinc/47/00/22/1049470022.db2.gz LEAHKBUOYHAHCA-UHFFFAOYSA-N 1 2 308.400 4.379 20 30 DIEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000119129602 1049518156 /nfs/dbraw/zinc/51/81/56/1049518156.db2.gz HZLPMMNDTZLIHF-MDZDMXLPSA-N 1 2 301.349 4.020 20 30 DIEDLO c1ccc2c(c1)NCCCC2=[NH+]Nc1cccc2ncccc21 ZINC000774369256 1049652573 /nfs/dbraw/zinc/65/25/73/1049652573.db2.gz HMZADFKCIKPALS-UHFFFAOYSA-N 1 2 302.381 4.257 20 30 DIEDLO CCCc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794695945 1049672084 /nfs/dbraw/zinc/67/20/84/1049672084.db2.gz BDTYJEXSMAHVIY-KHPPLWFESA-N 1 2 314.454 4.053 20 30 DIEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1C#N ZINC000490046390 1049798098 /nfs/dbraw/zinc/79/80/98/1049798098.db2.gz QMHRMNLBXOHEMG-SFHVURJKSA-N 1 2 314.816 4.031 20 30 DIEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1C#N ZINC000490046390 1049798106 /nfs/dbraw/zinc/79/81/06/1049798106.db2.gz QMHRMNLBXOHEMG-SFHVURJKSA-N 1 2 314.816 4.031 20 30 DIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc(F)cc(Cl)c1)C2 ZINC001207008829 1049821320 /nfs/dbraw/zinc/82/13/20/1049821320.db2.gz OZMUXGJTLDJGCE-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(F)cc(Cl)c1)C2 ZINC001207008829 1049821330 /nfs/dbraw/zinc/82/13/30/1049821330.db2.gz OZMUXGJTLDJGCE-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO Cc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(C#N)c3)cs2)o1 ZINC000029723878 1049881377 /nfs/dbraw/zinc/88/13/77/1049881377.db2.gz RKKCPHQGKFBEMF-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO Cc1ccc(-c2nc(C[N@H+](C)Cc3cccc(C#N)c3)cs2)o1 ZINC000029723878 1049881382 /nfs/dbraw/zinc/88/13/82/1049881382.db2.gz RKKCPHQGKFBEMF-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO Cc1cc(C#N)cc(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)n1 ZINC000588013824 1049953276 /nfs/dbraw/zinc/95/32/76/1049953276.db2.gz MHXCNVSLJKTNNI-HNNXBMFYSA-N 1 2 321.428 4.088 20 30 DIEDLO CCCCCCC/C=C/C[N@@H+]1CCc2onc(COCC)c2C1 ZINC001208118903 1049975599 /nfs/dbraw/zinc/97/55/99/1049975599.db2.gz RLEDBPWQSHFLPI-ZHACJKMWSA-N 1 2 320.477 4.486 20 30 DIEDLO CCCCCCC/C=C/C[N@H+]1CCc2onc(COCC)c2C1 ZINC001208118903 1049975603 /nfs/dbraw/zinc/97/56/03/1049975603.db2.gz RLEDBPWQSHFLPI-ZHACJKMWSA-N 1 2 320.477 4.486 20 30 DIEDLO C[C@H](C[N@@H+]1CC[C@H]2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710079 1050005504 /nfs/dbraw/zinc/00/55/04/1050005504.db2.gz NSEDMYHEPGTZPK-AUUYWEPGSA-N 1 2 323.461 4.217 20 30 DIEDLO C[C@H](C[N@H+]1CC[C@H]2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710079 1050005508 /nfs/dbraw/zinc/00/55/08/1050005508.db2.gz NSEDMYHEPGTZPK-AUUYWEPGSA-N 1 2 323.461 4.217 20 30 DIEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)c(C(F)(F)F)c1 ZINC000589517123 1050042252 /nfs/dbraw/zinc/04/22/52/1050042252.db2.gz YIIFBIVHIWIRKE-UHFFFAOYSA-N 1 2 318.289 4.245 20 30 DIEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000589820500 1050061883 /nfs/dbraw/zinc/06/18/83/1050061883.db2.gz SUORVHHVNYUFIR-LJQANCHMSA-N 1 2 309.388 4.210 20 30 DIEDLO N#Cc1c(F)cccc1C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000589820500 1050061885 /nfs/dbraw/zinc/06/18/85/1050061885.db2.gz SUORVHHVNYUFIR-LJQANCHMSA-N 1 2 309.388 4.210 20 30 DIEDLO Cc1ccc2[nH]cc(C[N@H+](CCC#N)Cc3ccccc3)c2c1 ZINC001209489925 1050062025 /nfs/dbraw/zinc/06/20/25/1050062025.db2.gz OQXJUOJLXFUOIE-UHFFFAOYSA-N 1 2 303.409 4.392 20 30 DIEDLO Cc1ccc2[nH]cc(C[N@@H+](CCC#N)Cc3ccccc3)c2c1 ZINC001209489925 1050062030 /nfs/dbraw/zinc/06/20/30/1050062030.db2.gz OQXJUOJLXFUOIE-UHFFFAOYSA-N 1 2 303.409 4.392 20 30 DIEDLO Clc1ncc(C[NH+]2CCC(C#Cc3ccccc3)CC2)s1 ZINC001209472166 1050062068 /nfs/dbraw/zinc/06/20/68/1050062068.db2.gz KYWLTOPZYGKOHL-UHFFFAOYSA-N 1 2 316.857 4.060 20 30 DIEDLO N#Cc1ncccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC001210141524 1050143283 /nfs/dbraw/zinc/14/32/83/1050143283.db2.gz SRBCSESFUNQMAC-UHFFFAOYSA-N 1 2 314.270 4.264 20 30 DIEDLO C#CCCOc1ccc(CNc2ccc3c(c2)CCC[N@H+]3C)cc1 ZINC000770540572 1050170027 /nfs/dbraw/zinc/17/00/27/1050170027.db2.gz IOASPLZXMAWWRR-UHFFFAOYSA-N 1 2 320.436 4.083 20 30 DIEDLO C#CCCOc1ccc(CNc2ccc3c(c2)CCC[N@@H+]3C)cc1 ZINC000770540572 1050170032 /nfs/dbraw/zinc/17/00/32/1050170032.db2.gz IOASPLZXMAWWRR-UHFFFAOYSA-N 1 2 320.436 4.083 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1ccnc(Cl)c1F)c1ccccc1 ZINC000824027511 1050175606 /nfs/dbraw/zinc/17/56/06/1050175606.db2.gz LXAAZZXYEGRSKZ-CQSZACIVSA-N 1 2 303.768 4.009 20 30 DIEDLO CCCc1cc(N[C@@H]2CCc3c2cccc3C#N)nc(CCC)[nH+]1 ZINC001171065396 1050242452 /nfs/dbraw/zinc/24/24/52/1050242452.db2.gz YXVPRRDHMLRBBG-GOSISDBHSA-N 1 2 320.440 4.353 20 30 DIEDLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592071463 1050269823 /nfs/dbraw/zinc/26/98/23/1050269823.db2.gz HERWCBOSGJHJEI-KSSFIOAISA-N 1 2 309.413 4.082 20 30 DIEDLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592071463 1050269830 /nfs/dbraw/zinc/26/98/30/1050269830.db2.gz HERWCBOSGJHJEI-KSSFIOAISA-N 1 2 309.413 4.082 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(OC(C)C)cc3)n2c1 ZINC000771851288 1050292282 /nfs/dbraw/zinc/29/22/82/1050292282.db2.gz RIEXDQSBSWRSKW-YFHOEESVSA-N 1 2 320.392 4.326 20 30 DIEDLO Cc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c(C#N)c1 ZINC001210565804 1050298004 /nfs/dbraw/zinc/29/80/04/1050298004.db2.gz QVJWWAADZONZQV-UHFFFAOYSA-N 1 2 324.384 4.352 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1F ZINC001143628169 1050321334 /nfs/dbraw/zinc/32/13/34/1050321334.db2.gz ZJYTWZIRFUNWQE-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1F ZINC001143628169 1050321339 /nfs/dbraw/zinc/32/13/39/1050321339.db2.gz ZJYTWZIRFUNWQE-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1N[C@H](C)c1cccc(C(=O)OC)c1 ZINC001171102412 1050355540 /nfs/dbraw/zinc/35/55/40/1050355540.db2.gz LTUOFBFIRQMTSQ-CQSZACIVSA-N 1 2 310.397 4.078 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(Cl)ccc1OCC#N ZINC000735309940 1050374405 /nfs/dbraw/zinc/37/44/05/1050374405.db2.gz WSWHVRJOGWTKEZ-UHFFFAOYSA-N 1 2 319.836 4.004 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(Cl)ccc1OCC#N ZINC000735309940 1050374412 /nfs/dbraw/zinc/37/44/12/1050374412.db2.gz WSWHVRJOGWTKEZ-UHFFFAOYSA-N 1 2 319.836 4.004 20 30 DIEDLO C=CC[NH+](CC=C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000574226467 1050378831 /nfs/dbraw/zinc/37/88/31/1050378831.db2.gz NBYYTTSRDGGDTB-LBPRGKRZSA-N 1 2 303.793 4.125 20 30 DIEDLO N#CC1(C[NH2+]Cc2c(Cl)cccc2OC(F)F)CCCC1 ZINC000593653028 1050432591 /nfs/dbraw/zinc/43/25/91/1050432591.db2.gz XRRCYTRFJNPLTF-UHFFFAOYSA-N 1 2 314.763 4.115 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001143990811 1050433588 /nfs/dbraw/zinc/43/35/88/1050433588.db2.gz KKKGRZSOYSAQQI-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001143990811 1050433593 /nfs/dbraw/zinc/43/35/93/1050433593.db2.gz KKKGRZSOYSAQQI-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001144079109 1050461009 /nfs/dbraw/zinc/46/10/09/1050461009.db2.gz BDUVHPJVOVOQEI-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001144079109 1050461016 /nfs/dbraw/zinc/46/10/16/1050461016.db2.gz BDUVHPJVOVOQEI-CYBMUJFWSA-N 1 2 303.818 4.005 20 30 DIEDLO N#CCCCOc1cccc(CNc2c[nH+]cc3c2CCCC3)c1 ZINC000594744231 1050553434 /nfs/dbraw/zinc/55/34/34/1050553434.db2.gz WMINUAGEINKZBX-UHFFFAOYSA-N 1 2 321.424 4.255 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3csc(Cl)c3)n21 ZINC000787185913 1050568887 /nfs/dbraw/zinc/56/88/87/1050568887.db2.gz JUNGANXGAAVULS-WAYWQWQTSA-N 1 2 302.786 4.254 20 30 DIEDLO N#Cc1nc2ccc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2s1 ZINC001213090154 1050584878 /nfs/dbraw/zinc/58/48/78/1050584878.db2.gz WUHJLPWZUMJAOJ-UHFFFAOYSA-N 1 2 317.377 4.302 20 30 DIEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213091023 1050585674 /nfs/dbraw/zinc/58/56/74/1050585674.db2.gz RJGRSKRLOJSBLQ-UHFFFAOYSA-N 1 2 312.735 4.484 20 30 DIEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1nc2c(s1)CCCC2 ZINC000595089969 1050610087 /nfs/dbraw/zinc/61/00/87/1050610087.db2.gz AXXGSPLLUROUJK-CYBMUJFWSA-N 1 2 303.475 4.147 20 30 DIEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000740764841 1050625168 /nfs/dbraw/zinc/62/51/68/1050625168.db2.gz HZLPMMNDTZLIHF-KTKRTIGZSA-N 1 2 301.349 4.020 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1c[nH]c2cc(Cl)ccc12 ZINC000740765188 1050626186 /nfs/dbraw/zinc/62/61/86/1050626186.db2.gz RQHCUGNWUZVOSO-FNORWQNLSA-N 1 2 321.767 4.365 20 30 DIEDLO N#CC1(c2cccc(Nc3[nH+]cccc3N3CCCCC3)c2)CC1 ZINC001213318402 1050628730 /nfs/dbraw/zinc/62/87/30/1050628730.db2.gz URMBCQNDOXNGHC-UHFFFAOYSA-N 1 2 318.424 4.371 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)ccc1F ZINC000595673915 1050660589 /nfs/dbraw/zinc/66/05/89/1050660589.db2.gz GIVMMADTMXPCTO-GOSISDBHSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1cc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)ccc1F ZINC000595673915 1050660596 /nfs/dbraw/zinc/66/05/96/1050660596.db2.gz GIVMMADTMXPCTO-GOSISDBHSA-N 1 2 310.372 4.408 20 30 DIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1C#N ZINC000595844437 1050672527 /nfs/dbraw/zinc/67/25/27/1050672527.db2.gz FBVJVNYXKWKFPO-IYBDPMFKSA-N 1 2 317.230 4.004 20 30 DIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1C#N ZINC000595844437 1050672537 /nfs/dbraw/zinc/67/25/37/1050672537.db2.gz FBVJVNYXKWKFPO-IYBDPMFKSA-N 1 2 317.230 4.004 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(C#N)cc3Cl)n21 ZINC000788361329 1050675227 /nfs/dbraw/zinc/67/52/27/1050675227.db2.gz ZXVUWHYSCCIIRY-VURMDHGXSA-N 1 2 321.767 4.064 20 30 DIEDLO COc1ccc([C@H](C)CC/[NH+]=C/c2cccc(OC)c2O)cc1 ZINC000741463563 1050682294 /nfs/dbraw/zinc/68/22/94/1050682294.db2.gz GQEXYSOGFPRGGM-GNUZOCDUSA-N 1 2 313.397 4.022 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2c[nH]c3c2cccc3C)c1 ZINC000741466266 1050682396 /nfs/dbraw/zinc/68/23/96/1050682396.db2.gz KPKNWHKNJMFUIE-CIAFOILYSA-N 1 2 322.408 4.242 20 30 DIEDLO Cc1cccn2c(/C=C3\CSc4ccc(F)cc4C3=O)c[nH+]c12 ZINC000741471470 1050684828 /nfs/dbraw/zinc/68/48/28/1050684828.db2.gz MTOGBIBVYLVOKB-KPKJPENVSA-N 1 2 324.380 4.154 20 30 DIEDLO CSc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000741473045 1050685019 /nfs/dbraw/zinc/68/50/19/1050685019.db2.gz YWHSYZJJBKRHKO-YFHOEESVSA-N 1 2 308.406 4.261 20 30 DIEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(-c2ncco2)cc1F ZINC001170095209 1050772768 /nfs/dbraw/zinc/77/27/68/1050772768.db2.gz PCUWKMCGHQBWLS-UHFFFAOYSA-N 1 2 320.367 4.116 20 30 DIEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2ncco2)cc1F ZINC001170095209 1050772780 /nfs/dbraw/zinc/77/27/80/1050772780.db2.gz PCUWKMCGHQBWLS-UHFFFAOYSA-N 1 2 320.367 4.116 20 30 DIEDLO O=C1c2cc(Cl)ccc2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000761206155 1050780837 /nfs/dbraw/zinc/78/08/37/1050780837.db2.gz OPPCQXMKRXNTBU-LCYFTJDESA-N 1 2 308.768 4.200 20 30 DIEDLO CC[NH+](CC)c1ccc(C)c(NCc2ccc(C#N)c(F)c2)c1 ZINC001170096364 1050785585 /nfs/dbraw/zinc/78/55/85/1050785585.db2.gz PHSVVAKCOSMXFT-UHFFFAOYSA-N 1 2 311.404 4.464 20 30 DIEDLO CC[C@H](CC#N)[NH2+]Cc1cc2ccc(SC)cc2nc1Cl ZINC000846993133 1050793291 /nfs/dbraw/zinc/79/32/91/1050793291.db2.gz MRWPJMRHFSUZRJ-CYBMUJFWSA-N 1 2 319.861 4.392 20 30 DIEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(Cl)nc(Cl)c1 ZINC000796640228 1050821329 /nfs/dbraw/zinc/82/13/29/1050821329.db2.gz ILSPFGRZGQRRAE-UHFFFAOYSA-N 1 2 305.208 4.024 20 30 DIEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)nc(Cl)c1 ZINC000796640228 1050821344 /nfs/dbraw/zinc/82/13/44/1050821344.db2.gz ILSPFGRZGQRRAE-UHFFFAOYSA-N 1 2 305.208 4.024 20 30 DIEDLO CCOc1cccc(/C=[NH+]/CC[C@H](OCC)C2CCCC2)c1O ZINC000746817419 1050832985 /nfs/dbraw/zinc/83/29/85/1050832985.db2.gz YOTCTAYVGHVIIT-TYSUYXETSA-N 1 2 319.445 4.195 20 30 DIEDLO Clc1cc(Cl)cc(NN=Cc2cccc3[nH+]ccn32)c1 ZINC000790202276 1050924823 /nfs/dbraw/zinc/92/48/23/1050924823.db2.gz QHGKBZSMGRKGRF-UHFFFAOYSA-N 1 2 305.168 4.087 20 30 DIEDLO CC(C)Sc1cccc(Cl)c1C=NNc1[nH+]ccn1C ZINC000790302532 1050948378 /nfs/dbraw/zinc/94/83/78/1050948378.db2.gz UEPZIDVWEIUXEP-UHFFFAOYSA-N 1 2 308.838 4.020 20 30 DIEDLO C=CCOc1ccccc1[C@H](C)Nc1[nH+]cc(OC)c2cc[nH]c21 ZINC001171372120 1051026387 /nfs/dbraw/zinc/02/63/87/1051026387.db2.gz FCSSFHXYPPZQHA-ZDUSSCGKSA-N 1 2 323.396 4.309 20 30 DIEDLO CC(C)c1cc(NCCOc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC001171482434 1051141901 /nfs/dbraw/zinc/14/19/01/1051141901.db2.gz PIBZILPHVNGYIT-UHFFFAOYSA-N 1 2 324.428 4.086 20 30 DIEDLO N#Cc1cccc(C[NH2+]C2(c3ccccc3Cl)CC2)c1F ZINC001171468261 1051147556 /nfs/dbraw/zinc/14/75/56/1051147556.db2.gz BIOBRNFZGGGHLD-UHFFFAOYSA-N 1 2 300.764 4.130 20 30 DIEDLO N#Cc1ccc(CNc2cc[nH+]c(OCc3ccccc3)c2)s1 ZINC001170200072 1051154269 /nfs/dbraw/zinc/15/42/69/1051154269.db2.gz URLULWMKLBPILY-UHFFFAOYSA-N 1 2 321.405 4.206 20 30 DIEDLO CC(C)(S)CNc1[nH+]ccc2cccc(C(F)(F)F)c21 ZINC001170302302 1051179483 /nfs/dbraw/zinc/17/94/83/1051179483.db2.gz DSKMTVQSTUXZEY-UHFFFAOYSA-N 1 2 300.349 4.374 20 30 DIEDLO Cc1c(C#N)cccc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001216173267 1051610008 /nfs/dbraw/zinc/61/00/08/1051610008.db2.gz DQWOLHZWCFHQNX-UHFFFAOYSA-N 1 2 324.384 4.352 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1scnc1Cl)c1ccc(F)c(F)c1 ZINC001169472862 1051626272 /nfs/dbraw/zinc/62/62/72/1051626272.db2.gz LIVCTCSLIINNSR-ZDUSSCGKSA-N 1 2 314.788 4.482 20 30 DIEDLO N#CC12CCC(Nc3cccc(Cc4ccncc4)[nH+]3)(CC1)CC2 ZINC001169747727 1051686256 /nfs/dbraw/zinc/68/62/56/1051686256.db2.gz CSJUUVZLUKMHJK-UHFFFAOYSA-N 1 2 318.424 4.096 20 30 DIEDLO Cc1[nH]c(-c2cccc(NC(=O)CCCCCC#N)c2)[nH+]c1C ZINC000806564030 1051821949 /nfs/dbraw/zinc/82/19/49/1051821949.db2.gz HRMPVHBIJMQBIQ-UHFFFAOYSA-N 1 2 310.401 4.106 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2F)cc1 ZINC000768246646 1051910415 /nfs/dbraw/zinc/91/04/15/1051910415.db2.gz ZOBWPFRSSKDTGR-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2F)cc1 ZINC000768246646 1051910422 /nfs/dbraw/zinc/91/04/22/1051910422.db2.gz ZOBWPFRSSKDTGR-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768553650 1051943006 /nfs/dbraw/zinc/94/30/06/1051943006.db2.gz DJDWOOCPSOLHMG-UHFFFAOYSA-N 1 2 309.797 4.010 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768553650 1051943014 /nfs/dbraw/zinc/94/30/14/1051943014.db2.gz DJDWOOCPSOLHMG-UHFFFAOYSA-N 1 2 309.797 4.010 20 30 DIEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccccc1Br ZINC000405161006 1051948680 /nfs/dbraw/zinc/94/86/80/1051948680.db2.gz OYCJDNJUNYARRY-LBPRGKRZSA-N 1 2 307.235 4.184 20 30 DIEDLO C=CC[N@@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000494632969 1051995266 /nfs/dbraw/zinc/99/52/66/1051995266.db2.gz PGTGMLBQPYFYOX-UHFFFAOYSA-N 1 2 323.259 4.190 20 30 DIEDLO C=CC[N@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000494632969 1051995283 /nfs/dbraw/zinc/99/52/83/1051995283.db2.gz PGTGMLBQPYFYOX-UHFFFAOYSA-N 1 2 323.259 4.190 20 30 DIEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC#Cc1ccccc1 ZINC000192080340 1051997697 /nfs/dbraw/zinc/99/76/97/1051997697.db2.gz JDOTZRJQSDUDIC-OAHLLOKOSA-N 1 2 306.434 4.341 20 30 DIEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192080340 1051997709 /nfs/dbraw/zinc/99/77/09/1051997709.db2.gz JDOTZRJQSDUDIC-OAHLLOKOSA-N 1 2 306.434 4.341 20 30 DIEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000769607369 1052086936 /nfs/dbraw/zinc/08/69/36/1052086936.db2.gz JGUNRXLLXQMFOR-MDZDMXLPSA-N 1 2 301.349 4.020 20 30 DIEDLO O=C1c2cccc3c2[C@@H](CCC3)/C1=C\c1cccc2[nH+]ccn21 ZINC000769614580 1052088593 /nfs/dbraw/zinc/08/85/93/1052088593.db2.gz KXVROQBTVTUUCX-YSKWHIJTSA-N 1 2 300.361 4.034 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(Cl)c(F)c1 ZINC000769614756 1052088991 /nfs/dbraw/zinc/08/89/91/1052088991.db2.gz MOBAQZMHBZCTDS-FNORWQNLSA-N 1 2 300.720 4.023 20 30 DIEDLO C=CCCCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000769989153 1052137029 /nfs/dbraw/zinc/13/70/29/1052137029.db2.gz PWNPSFZWPONGFT-JTQLQIEISA-N 1 2 316.214 4.301 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3cc(Cl)cnc3C#N)ccc21 ZINC001174382416 1052142724 /nfs/dbraw/zinc/14/27/24/1052142724.db2.gz OSVVTPAEWQARQL-UHFFFAOYSA-N 1 2 311.776 4.281 20 30 DIEDLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(Br)cc1C#N ZINC000311147086 1052277607 /nfs/dbraw/zinc/27/76/07/1052277607.db2.gz MIHRADOPIVIAGV-TXEJJXNPSA-N 1 2 307.235 4.084 20 30 DIEDLO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000311147086 1052277617 /nfs/dbraw/zinc/27/76/17/1052277617.db2.gz MIHRADOPIVIAGV-TXEJJXNPSA-N 1 2 307.235 4.084 20 30 DIEDLO Cc1cccn2c(/C=C3/C(=O)c4cccc5c4[C@@H]3CCC5)c[nH+]c12 ZINC000763289939 1052556481 /nfs/dbraw/zinc/55/64/81/1052556481.db2.gz OPXJFEWHLRMWHC-YCPFAOKUSA-N 1 2 314.388 4.343 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3/C(=O)c4cccc5c4[C@H]3CCC5)n21 ZINC000763287325 1052556617 /nfs/dbraw/zinc/55/66/17/1052556617.db2.gz BNHJFCPDSMGECV-GYKGCMEESA-N 1 2 314.388 4.343 20 30 DIEDLO COc1cccc(CC/[NH+]=C\c2c(O)ccc3ccccc32)c1 ZINC000915980035 1052573311 /nfs/dbraw/zinc/57/33/11/1052573311.db2.gz WVPBQGNYDUVNPT-STZFKDTASA-N 1 2 305.377 4.216 20 30 DIEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000916244863 1052598301 /nfs/dbraw/zinc/59/83/01/1052598301.db2.gz CVEHZZVPNSGZLH-UHFFFAOYSA-N 1 2 324.384 4.031 20 30 DIEDLO O=[N+]([O-])c1cccc(N[NH+]=Cc2ccccc2N2CCCCC2)c1 ZINC000916268978 1052600606 /nfs/dbraw/zinc/60/06/06/1052600606.db2.gz KBDKLHLQXVHZRA-UHFFFAOYSA-N 1 2 324.384 4.031 20 30 DIEDLO CCN(CC)c1ncc(C=[NH+]Nc2cc(C)cc(C)c2)s1 ZINC000916346781 1052604896 /nfs/dbraw/zinc/60/48/96/1052604896.db2.gz UOLZXPSPQQSEGF-UHFFFAOYSA-N 1 2 302.447 4.052 20 30 DIEDLO C#CC[N@H+](Cc1nc2ccccc2s1)[C@@H]1CCc2ccccc21 ZINC000917119810 1052703317 /nfs/dbraw/zinc/70/33/17/1052703317.db2.gz XKSZPVJSPVMFBA-GOSISDBHSA-N 1 2 318.445 4.419 20 30 DIEDLO C#CC[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CCc2ccccc21 ZINC000917119810 1052703322 /nfs/dbraw/zinc/70/33/22/1052703322.db2.gz XKSZPVJSPVMFBA-GOSISDBHSA-N 1 2 318.445 4.419 20 30 DIEDLO CC(=NNCc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000918152329 1052785118 /nfs/dbraw/zinc/78/51/18/1052785118.db2.gz DCWOTRVEEJICBT-UHFFFAOYSA-N 1 2 324.815 4.040 20 30 DIEDLO C=C[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000129418407 1052788775 /nfs/dbraw/zinc/78/87/75/1052788775.db2.gz RIXBUYRQCCRIGP-INIZCTEOSA-N 1 2 317.392 4.171 20 30 DIEDLO C[N@H+](CC#Cc1ccccc1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000556533251 1052860943 /nfs/dbraw/zinc/86/09/43/1052860943.db2.gz HBSPAJHERSUUSC-JOCHJYFZSA-N 1 2 317.432 4.009 20 30 DIEDLO C[N@@H+](CC#Cc1ccccc1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000556533251 1052860946 /nfs/dbraw/zinc/86/09/46/1052860946.db2.gz HBSPAJHERSUUSC-JOCHJYFZSA-N 1 2 317.432 4.009 20 30 DIEDLO N#CC[N@H+](CCCOc1ccc2ccccc2c1)C1CCCC1 ZINC000610003154 1053002051 /nfs/dbraw/zinc/00/20/51/1053002051.db2.gz SXGALGVQSNCEFG-UHFFFAOYSA-N 1 2 308.425 4.377 20 30 DIEDLO N#CC[N@@H+](CCCOc1ccc2ccccc2c1)C1CCCC1 ZINC000610003154 1053002054 /nfs/dbraw/zinc/00/20/54/1053002054.db2.gz SXGALGVQSNCEFG-UHFFFAOYSA-N 1 2 308.425 4.377 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)cc1F ZINC000179635444 1053020865 /nfs/dbraw/zinc/02/08/65/1053020865.db2.gz HLNPCQKMWNEVQM-KRWDZBQOSA-N 1 2 304.315 4.216 20 30 DIEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000179899871 1053032316 /nfs/dbraw/zinc/03/23/16/1053032316.db2.gz IZPAVVFIUSUBGD-HWWQOWPSSA-N 1 2 319.836 4.311 20 30 DIEDLO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000179899853 1053032651 /nfs/dbraw/zinc/03/26/51/1053032651.db2.gz IZPAVVFIUSUBGD-MKBNYLNASA-N 1 2 319.836 4.311 20 30 DIEDLO C=C[C@]1(C)CC[C@@H](Oc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)O1 ZINC001229954299 1053439108 /nfs/dbraw/zinc/43/91/08/1053439108.db2.gz MRRSWUPZCVURLM-IEBWSBKVSA-N 1 2 312.413 4.153 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cc(Cl)cc(Cl)c1 ZINC001323544678 1053588848 /nfs/dbraw/zinc/58/88/48/1053588848.db2.gz IHVVFNSPUJLEGD-AATRIKPKSA-N 1 2 321.207 4.351 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001231855666 1053889989 /nfs/dbraw/zinc/88/99/89/1053889989.db2.gz AKQFMJXWWUXSJP-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001231855666 1053890002 /nfs/dbraw/zinc/89/00/02/1053890002.db2.gz AKQFMJXWWUXSJP-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)c(Cl)c1)Cc1cccc(F)c1F ZINC001232119438 1053969496 /nfs/dbraw/zinc/96/94/96/1053969496.db2.gz YTNRZWAIEIUJEX-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)c(Cl)c1)Cc1cccc(F)c1F ZINC001232119438 1053969499 /nfs/dbraw/zinc/96/94/99/1053969499.db2.gz YTNRZWAIEIUJEX-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO N#CCC[N@@H+](Cc1c[nH]c2nccc(Cl)c12)Cc1ccccc1 ZINC001232453401 1054051598 /nfs/dbraw/zinc/05/15/98/1054051598.db2.gz BLKSWKAIBHJNST-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCC[N@H+](Cc1c[nH]c2nccc(Cl)c12)Cc1ccccc1 ZINC001232453401 1054051612 /nfs/dbraw/zinc/05/16/12/1054051612.db2.gz BLKSWKAIBHJNST-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO CCOc1ccnc(C[N@H+](CCC#N)C2CCCCCCC2)c1 ZINC001232581381 1054074279 /nfs/dbraw/zinc/07/42/79/1054074279.db2.gz NMPQQALYJHOVPO-UHFFFAOYSA-N 1 2 315.461 4.309 20 30 DIEDLO CCOc1ccnc(C[N@@H+](CCC#N)C2CCCCCCC2)c1 ZINC001232581381 1054074291 /nfs/dbraw/zinc/07/42/91/1054074291.db2.gz NMPQQALYJHOVPO-UHFFFAOYSA-N 1 2 315.461 4.309 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001232606346 1054078523 /nfs/dbraw/zinc/07/85/23/1054078523.db2.gz OGXZWTGBXWAZNY-UHFFFAOYSA-N 1 2 310.775 4.223 20 30 DIEDLO C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(Cl)cc1C#N ZINC001232607725 1054078951 /nfs/dbraw/zinc/07/89/51/1054078951.db2.gz VNIITAMBOYBWNC-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(Cl)cc1C#N ZINC001232607725 1054078964 /nfs/dbraw/zinc/07/89/64/1054078964.db2.gz VNIITAMBOYBWNC-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC001232679968 1054099015 /nfs/dbraw/zinc/09/90/15/1054099015.db2.gz WCVIZOCFOOUBOK-KRWDZBQOSA-N 1 2 312.800 4.254 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC001232679968 1054099024 /nfs/dbraw/zinc/09/90/24/1054099024.db2.gz WCVIZOCFOOUBOK-KRWDZBQOSA-N 1 2 312.800 4.254 20 30 DIEDLO N#CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2F)CC1 ZINC001232919414 1054150313 /nfs/dbraw/zinc/15/03/13/1054150313.db2.gz SIJIBMJJRAHEPB-UHFFFAOYSA-N 1 2 324.399 4.140 20 30 DIEDLO C=CCCCC[N@@H+](C)Cc1c(O)cc(Br)cc1F ZINC001233029960 1054174999 /nfs/dbraw/zinc/17/49/99/1054174999.db2.gz MCAHIDQPCGJYDS-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO C=CCCCC[N@H+](C)Cc1c(O)cc(Br)cc1F ZINC001233029960 1054175006 /nfs/dbraw/zinc/17/50/06/1054175006.db2.gz MCAHIDQPCGJYDS-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO C=CC[N@H+](Cc1c(O)cc(Br)cc1F)C(C)(C)C ZINC001233030574 1054175095 /nfs/dbraw/zinc/17/50/95/1054175095.db2.gz YVBINJSPXMQVOH-UHFFFAOYSA-N 1 2 316.214 4.080 20 30 DIEDLO C=CC[N@@H+](Cc1c(O)cc(Br)cc1F)C(C)(C)C ZINC001233030574 1054175097 /nfs/dbraw/zinc/17/50/97/1054175097.db2.gz YVBINJSPXMQVOH-UHFFFAOYSA-N 1 2 316.214 4.080 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001233082746 1054183994 /nfs/dbraw/zinc/18/39/94/1054183994.db2.gz WKUDAIXQFFHYIT-UHFFFAOYSA-N 1 2 302.377 4.171 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001233082746 1054184000 /nfs/dbraw/zinc/18/40/00/1054184000.db2.gz WKUDAIXQFFHYIT-UHFFFAOYSA-N 1 2 302.377 4.171 20 30 DIEDLO N#CCC[N@@H+](Cc1csc(C(F)(F)F)c1)C1CCCC1 ZINC001233175397 1054196644 /nfs/dbraw/zinc/19/66/44/1054196644.db2.gz CODHMLOCZVVMJY-UHFFFAOYSA-N 1 2 302.365 4.425 20 30 DIEDLO N#CCC[N@H+](Cc1csc(C(F)(F)F)c1)C1CCCC1 ZINC001233175397 1054196649 /nfs/dbraw/zinc/19/66/49/1054196649.db2.gz CODHMLOCZVVMJY-UHFFFAOYSA-N 1 2 302.365 4.425 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCSC[C@H]2c2nccs2)CCC1 ZINC001334795355 1054199000 /nfs/dbraw/zinc/19/90/00/1054199000.db2.gz YINDCVRIFRDOIO-AWEZNQCLSA-N 1 2 321.515 4.097 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCSC[C@H]2c2nccs2)CCC1 ZINC001334795355 1054199006 /nfs/dbraw/zinc/19/90/06/1054199006.db2.gz YINDCVRIFRDOIO-AWEZNQCLSA-N 1 2 321.515 4.097 20 30 DIEDLO Cc1ccccc1-c1cnc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000075596341 1054309586 /nfs/dbraw/zinc/30/95/86/1054309586.db2.gz JLVCDQPPLLEVDU-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO Cc1ccccc1-c1cnc(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000075596341 1054309594 /nfs/dbraw/zinc/30/95/94/1054309594.db2.gz JLVCDQPPLLEVDU-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(OCc2ccccc2)c1 ZINC001233644936 1054320365 /nfs/dbraw/zinc/32/03/65/1054320365.db2.gz BFNSMSGWFIFMDR-NRFANRHFSA-N 1 2 320.436 4.310 20 30 DIEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(OCc2ccccc2)c1 ZINC001233644936 1054320379 /nfs/dbraw/zinc/32/03/79/1054320379.db2.gz BFNSMSGWFIFMDR-NRFANRHFSA-N 1 2 320.436 4.310 20 30 DIEDLO C=C(CC(C)C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001347019124 1054555098 /nfs/dbraw/zinc/55/50/98/1054555098.db2.gz WZWWITQSJQEHMS-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO C=CCCC[C@@H](C(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC001358142482 1054608421 /nfs/dbraw/zinc/60/84/21/1054608421.db2.gz YANNXKPEKLRQPT-GOSISDBHSA-N 1 2 308.425 4.199 20 30 DIEDLO COc1ccc([C@@H](C)[N@H+](C)Cc2c(F)cc(C#N)cc2F)cc1 ZINC001235658410 1054762846 /nfs/dbraw/zinc/76/28/46/1054762846.db2.gz LTHUBEPHLKXZNE-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2c(F)cc(C#N)cc2F)cc1 ZINC001235658410 1054762859 /nfs/dbraw/zinc/76/28/59/1054762859.db2.gz LTHUBEPHLKXZNE-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c(F)c1 ZINC001235658239 1054763068 /nfs/dbraw/zinc/76/30/68/1054763068.db2.gz IWGAWISOJMDJMC-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c(F)c1 ZINC001235658239 1054763077 /nfs/dbraw/zinc/76/30/77/1054763077.db2.gz IWGAWISOJMDJMC-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3cc4c(s3)CCC4)c[nH+]c12 ZINC000764442930 1055187359 /nfs/dbraw/zinc/18/73/59/1055187359.db2.gz SRLUVVJEHYEAEN-BQYQJAHWSA-N 1 2 308.406 4.089 20 30 DIEDLO C=CCCCC[N@@H+](C)Cc1c(Br)ccnc1Cl ZINC001236596757 1055201282 /nfs/dbraw/zinc/20/12/82/1055201282.db2.gz YKOJCDIRLVFZNQ-UHFFFAOYSA-N 1 2 317.658 4.286 20 30 DIEDLO C=CCCCC[N@H+](C)Cc1c(Br)ccnc1Cl ZINC001236596757 1055201295 /nfs/dbraw/zinc/20/12/95/1055201295.db2.gz YKOJCDIRLVFZNQ-UHFFFAOYSA-N 1 2 317.658 4.286 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1F ZINC001236830415 1055279882 /nfs/dbraw/zinc/27/98/82/1055279882.db2.gz IYNJLGRLCTYEFI-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1F ZINC001236830415 1055279897 /nfs/dbraw/zinc/27/98/97/1055279897.db2.gz IYNJLGRLCTYEFI-UHFFFAOYSA-N 1 2 303.352 4.162 20 30 DIEDLO Cc1cccc(-c2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)cn2)c1C ZINC001236986319 1055325994 /nfs/dbraw/zinc/32/59/94/1055325994.db2.gz UQEKWBLPJGHWIZ-HXUWFJFHSA-N 1 2 305.425 4.101 20 30 DIEDLO Cc1cccc(-c2ccc(C[N@H+]3CC[C@](C)(C#N)C3)cn2)c1C ZINC001236986319 1055326008 /nfs/dbraw/zinc/32/60/08/1055326008.db2.gz UQEKWBLPJGHWIZ-HXUWFJFHSA-N 1 2 305.425 4.101 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237019883 1055343955 /nfs/dbraw/zinc/34/39/55/1055343955.db2.gz MKYLZHUBXDWHBQ-GOSISDBHSA-N 1 2 311.816 4.138 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237019883 1055343969 /nfs/dbraw/zinc/34/39/69/1055343969.db2.gz MKYLZHUBXDWHBQ-GOSISDBHSA-N 1 2 311.816 4.138 20 30 DIEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(F)cc1F ZINC001237524117 1055467753 /nfs/dbraw/zinc/46/77/53/1055467753.db2.gz GBYIHGWSAAIRDX-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(F)cc1F ZINC001237524117 1055467759 /nfs/dbraw/zinc/46/77/59/1055467759.db2.gz GBYIHGWSAAIRDX-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(F)cc(C(F)(F)F)cc2F)C1 ZINC001237709700 1055513185 /nfs/dbraw/zinc/51/31/85/1055513185.db2.gz XIVGMEAKVQJHIO-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2c(F)cc(C(F)(F)F)cc2F)C1 ZINC001237709700 1055513194 /nfs/dbraw/zinc/51/31/94/1055513194.db2.gz XIVGMEAKVQJHIO-SNVBAGLBSA-N 1 2 318.289 4.109 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(Cl)c(F)c3)c[nH+]c12 ZINC000765613353 1055515085 /nfs/dbraw/zinc/51/50/85/1055515085.db2.gz QCNPLJUKZPIWQP-FNORWQNLSA-N 1 2 314.747 4.331 20 30 DIEDLO CCCCCCC[N@H+](C)Cc1scnc1Br ZINC001238038264 1055592109 /nfs/dbraw/zinc/59/21/09/1055592109.db2.gz QKNCRNBESPBRNF-UHFFFAOYSA-N 1 2 305.285 4.308 20 30 DIEDLO CCCCCCC[N@@H+](C)Cc1scnc1Br ZINC001238038264 1055592117 /nfs/dbraw/zinc/59/21/17/1055592117.db2.gz QKNCRNBESPBRNF-UHFFFAOYSA-N 1 2 305.285 4.308 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238066974 1055596362 /nfs/dbraw/zinc/59/63/62/1055596362.db2.gz CFGYJEPMGZLZBR-FQEVSTJZSA-N 1 2 312.457 4.381 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238066974 1055596375 /nfs/dbraw/zinc/59/63/75/1055596375.db2.gz CFGYJEPMGZLZBR-FQEVSTJZSA-N 1 2 312.457 4.381 20 30 DIEDLO CC(C)Oc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(F)c1 ZINC001238445241 1055660463 /nfs/dbraw/zinc/66/04/63/1055660463.db2.gz SAPTXYXIHFQSAX-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(F)c1 ZINC001238445241 1055660467 /nfs/dbraw/zinc/66/04/67/1055660467.db2.gz SAPTXYXIHFQSAX-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)ccc1F ZINC001238454237 1055663546 /nfs/dbraw/zinc/66/35/46/1055663546.db2.gz KZPQKSPBJAEKEF-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)ccc1F ZINC001238454237 1055663552 /nfs/dbraw/zinc/66/35/52/1055663552.db2.gz KZPQKSPBJAEKEF-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CCOc1ccc(C)c(C[N@H+](CCC#N)Cc2ccccc2)c1 ZINC001238703244 1055727150 /nfs/dbraw/zinc/72/71/50/1055727150.db2.gz AXLBZOGJBHHPFX-UHFFFAOYSA-N 1 2 308.425 4.310 20 30 DIEDLO CCOc1ccc(C)c(C[N@@H+](CCC#N)Cc2ccccc2)c1 ZINC001238703244 1055727161 /nfs/dbraw/zinc/72/71/61/1055727161.db2.gz AXLBZOGJBHHPFX-UHFFFAOYSA-N 1 2 308.425 4.310 20 30 DIEDLO Cc1cc(F)cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1Cl ZINC001238776137 1055748789 /nfs/dbraw/zinc/74/87/89/1055748789.db2.gz HSKPVLFBUBWRHX-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO Cc1cc(F)cc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1Cl ZINC001238776137 1055748803 /nfs/dbraw/zinc/74/88/03/1055748803.db2.gz HSKPVLFBUBWRHX-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO C=CC1(CC(=O)Nc2ccccc2-n2cc[nH+]c2)CCCCC1 ZINC001540721224 1056067706 /nfs/dbraw/zinc/06/77/06/1056067706.db2.gz WLHYILJTBVTMTK-UHFFFAOYSA-N 1 2 309.413 4.337 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc2ccccc2s1 ZINC000765812526 1056154230 /nfs/dbraw/zinc/15/42/30/1056154230.db2.gz JUJVKJNOIPUIDN-LLVKDONJSA-N 1 2 311.385 4.158 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168615948 1056155705 /nfs/dbraw/zinc/15/57/05/1056155705.db2.gz QBKFSGSQSWOPCO-QFBILLFUSA-N 1 2 315.388 4.202 20 30 DIEDLO Cc1[nH]c(-c2ccc(NC(=O)CCCCCC#N)cc2)[nH+]c1C ZINC000921656275 1056166324 /nfs/dbraw/zinc/16/63/24/1056166324.db2.gz RNJQCPMDZDUXJD-UHFFFAOYSA-N 1 2 310.401 4.106 20 30 DIEDLO N#CCc1cc(C(F)(F)F)ccc1-c1ccc2[nH+]ccn2c1 ZINC001240218229 1056376134 /nfs/dbraw/zinc/37/61/34/1056376134.db2.gz GYOFYSMJDPNMNF-UHFFFAOYSA-N 1 2 301.271 4.086 20 30 DIEDLO Cc1cc([NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1N1CCSCC1 ZINC000765922067 1056485000 /nfs/dbraw/zinc/48/50/00/1056485000.db2.gz XYXCCJPHBINJHH-HZPDHXFCSA-N 1 2 315.486 4.043 20 30 DIEDLO Cc1cc([NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1N1CCSCC1 ZINC000765922068 1056485361 /nfs/dbraw/zinc/48/53/61/1056485361.db2.gz XYXCCJPHBINJHH-JKSUJKDBSA-N 1 2 315.486 4.043 20 30 DIEDLO C=CC[N@H+](CC1CCCCC1)[C@@H](C(=O)OC)c1ccsc1 ZINC001615506007 1056524402 /nfs/dbraw/zinc/52/44/02/1056524402.db2.gz UPHBAMQGCVIOFL-MRXNPFEDSA-N 1 2 307.459 4.031 20 30 DIEDLO C=CC[N@@H+](CC1CCCCC1)[C@@H](C(=O)OC)c1ccsc1 ZINC001615506007 1056524409 /nfs/dbraw/zinc/52/44/09/1056524409.db2.gz UPHBAMQGCVIOFL-MRXNPFEDSA-N 1 2 307.459 4.031 20 30 DIEDLO C=C[C@H](CC)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001586212411 1056693584 /nfs/dbraw/zinc/69/35/84/1056693584.db2.gz VDFAWCGZJCVSTB-OAHLLOKOSA-N 1 2 323.440 4.427 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC001616898858 1056734713 /nfs/dbraw/zinc/73/47/13/1056734713.db2.gz LAQDKSSNKDIJQN-CQSZACIVSA-N 1 2 313.832 4.207 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC001616898858 1056734717 /nfs/dbraw/zinc/73/47/17/1056734717.db2.gz LAQDKSSNKDIJQN-CQSZACIVSA-N 1 2 313.832 4.207 20 30 DIEDLO CCCCCCCC[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC001617331086 1056815505 /nfs/dbraw/zinc/81/55/05/1056815505.db2.gz CGWRKOLZBSFDHB-MRXNPFEDSA-N 1 2 323.502 4.382 20 30 DIEDLO CCCCCCCC[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC001617331086 1056815519 /nfs/dbraw/zinc/81/55/19/1056815519.db2.gz CGWRKOLZBSFDHB-MRXNPFEDSA-N 1 2 323.502 4.382 20 30 DIEDLO CC(C)(C#N)c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922521132 1057030148 /nfs/dbraw/zinc/03/01/48/1057030148.db2.gz GWBJTQVECIVMGX-HKUYNNGSSA-N 1 2 324.399 4.049 20 30 DIEDLO CO[C@@H](C)c1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001242033587 1057245209 /nfs/dbraw/zinc/24/52/09/1057245209.db2.gz BFLUOZLCEHTIFT-HADWXUJASA-N 1 2 307.397 4.154 20 30 DIEDLO CC1(C)CC(=O)C=C(c2cc(F)c(C[NH+]3CCCC3)c(F)c2)C1 ZINC001242318047 1057332673 /nfs/dbraw/zinc/33/26/73/1057332673.db2.gz MNDSHERXZQPTPX-UHFFFAOYSA-N 1 2 319.395 4.333 20 30 DIEDLO COCC[N@H+](CCC#N)Cc1cccc(-c2ccc(C)cc2)c1 ZINC000611268742 1057587715 /nfs/dbraw/zinc/58/77/15/1057587715.db2.gz NZDVPDDGAXUGCN-UHFFFAOYSA-N 1 2 308.425 4.024 20 30 DIEDLO COCC[N@@H+](CCC#N)Cc1cccc(-c2ccc(C)cc2)c1 ZINC000611268742 1057587721 /nfs/dbraw/zinc/58/77/21/1057587721.db2.gz NZDVPDDGAXUGCN-UHFFFAOYSA-N 1 2 308.425 4.024 20 30 DIEDLO Cc1ccc(-c2cnc(C[NH2+][C@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000611388929 1057594271 /nfs/dbraw/zinc/59/42/71/1057594271.db2.gz NYOSFLSPAOHJCI-OAHLLOKOSA-N 1 2 317.392 4.373 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000611407034 1057597930 /nfs/dbraw/zinc/59/79/30/1057597930.db2.gz WPNFIDRFAAYENQ-OAHLLOKOSA-N 1 2 309.344 4.102 20 30 DIEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc(N2CCCC2)[nH+]c1 ZINC000611476197 1057602855 /nfs/dbraw/zinc/60/28/55/1057602855.db2.gz URGRLADGVSDRAZ-LJQANCHMSA-N 1 2 318.424 4.043 20 30 DIEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(N2CCCC2)[nH+]c1 ZINC000611476195 1057602996 /nfs/dbraw/zinc/60/29/96/1057602996.db2.gz URGRLADGVSDRAZ-IBGZPJMESA-N 1 2 318.424 4.043 20 30 DIEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000730062472 1057701952 /nfs/dbraw/zinc/70/19/52/1057701952.db2.gz PPQICBHUQMSCOK-CQSZACIVSA-N 1 2 310.235 4.131 20 30 DIEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000730062472 1057701954 /nfs/dbraw/zinc/70/19/54/1057701954.db2.gz PPQICBHUQMSCOK-CQSZACIVSA-N 1 2 310.235 4.131 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(Cl)s1 ZINC000730147653 1057704538 /nfs/dbraw/zinc/70/45/38/1057704538.db2.gz HPYHLQQJAQSKAF-UHFFFAOYSA-N 1 2 301.802 4.208 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]\CCCc2c[nH]c3ccccc23)c1 ZINC000730732715 1057722288 /nfs/dbraw/zinc/72/22/88/1057722288.db2.gz NZEKOGZGMBZFEC-BKUYFWCQSA-N 1 2 322.408 4.324 20 30 DIEDLO CC1(C)Cc2occc2C(=NNc2cc[nH+]c3ccccc23)C1 ZINC000731486697 1057744641 /nfs/dbraw/zinc/74/46/41/1057744641.db2.gz BFVADQMUJCMSBU-UHFFFAOYSA-N 1 2 305.381 4.038 20 30 DIEDLO Cc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc(Cl)c1O ZINC001244550685 1057993588 /nfs/dbraw/zinc/99/35/88/1057993588.db2.gz IMMJNBFUNUITQL-KEBDBYFISA-N 1 2 313.788 4.114 20 30 DIEDLO CCc1cc(-c2cc(F)c(C[NH+](C)C)c(F)c2)ccc1C#N ZINC001244954169 1058079793 /nfs/dbraw/zinc/07/97/93/1058079793.db2.gz KYZCYDZORDTBGR-UHFFFAOYSA-N 1 2 300.352 4.127 20 30 DIEDLO Cc1cccc2[nH]c(-c3ccc(/[NH+]=C/N(C)C)c(C#N)c3)cc21 ZINC001245342712 1058147418 /nfs/dbraw/zinc/14/74/18/1058147418.db2.gz IQFUCFPROHLSHB-CIAFOILYSA-N 1 2 302.381 4.236 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cc3ccc(F)cc3[nH]2)cc1C#N ZINC001245589819 1058261714 /nfs/dbraw/zinc/26/17/14/1058261714.db2.gz BQLSYGOGOWHIHF-SRZZPIQSSA-N 1 2 306.344 4.067 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)c1cc(F)ccc1F ZINC001559513499 1059308081 /nfs/dbraw/zinc/30/80/81/1059308081.db2.gz AZLDBWCKYLVAIX-ZDUSSCGKSA-N 1 2 303.327 4.300 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1cc(F)ccc1F ZINC001559513499 1059308106 /nfs/dbraw/zinc/30/81/06/1059308106.db2.gz AZLDBWCKYLVAIX-ZDUSSCGKSA-N 1 2 303.327 4.300 20 30 DIEDLO C#CC[N@@H+](CC)Cc1ccc(SCC)cc1Br ZINC001559581678 1059414628 /nfs/dbraw/zinc/41/46/28/1059414628.db2.gz NZPSEOMMWUZHFV-UHFFFAOYSA-N 1 2 312.276 4.016 20 30 DIEDLO C#CC[N@H+](CC)Cc1ccc(SCC)cc1Br ZINC001559581678 1059414637 /nfs/dbraw/zinc/41/46/37/1059414637.db2.gz NZPSEOMMWUZHFV-UHFFFAOYSA-N 1 2 312.276 4.016 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC001559942200 1059758633 /nfs/dbraw/zinc/75/86/33/1059758633.db2.gz OONUDEGBWHVIIL-UHFFFAOYSA-N 1 2 302.830 4.140 20 30 DIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2sc(Cl)cc2C1 ZINC001559942200 1059758653 /nfs/dbraw/zinc/75/86/53/1059758653.db2.gz OONUDEGBWHVIIL-UHFFFAOYSA-N 1 2 302.830 4.140 20 30 DIEDLO Cc1c(Cl)ccc2c1C[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC001560089566 1059898431 /nfs/dbraw/zinc/89/84/31/1059898431.db2.gz OKQXSWFCULWKNR-UHFFFAOYSA-N 1 2 313.803 4.197 20 30 DIEDLO Cc1c(Cl)ccc2c1C[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC001560089566 1059898462 /nfs/dbraw/zinc/89/84/62/1059898462.db2.gz OKQXSWFCULWKNR-UHFFFAOYSA-N 1 2 313.803 4.197 20 30 DIEDLO COc1ccccc1Oc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001248760636 1059970160 /nfs/dbraw/zinc/97/01/60/1059970160.db2.gz ZULOGQLLDKPHFC-HXUWFJFHSA-N 1 2 322.408 4.223 20 30 DIEDLO COc1ccccc1Oc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001248760636 1059970178 /nfs/dbraw/zinc/97/01/78/1059970178.db2.gz ZULOGQLLDKPHFC-HXUWFJFHSA-N 1 2 322.408 4.223 20 30 DIEDLO CCCCCCCNC(=S)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001249625839 1060316982 /nfs/dbraw/zinc/31/69/82/1060316982.db2.gz XEPSFCZJGYLGGW-UHFFFAOYSA-N 1 2 316.474 4.129 20 30 DIEDLO Cc1ccc(C[N@H+](Cc2ccco2)Cc2cccc(C#N)n2)s1 ZINC001560695156 1060544248 /nfs/dbraw/zinc/54/42/48/1060544248.db2.gz ZCFQFVQVIYTIPC-UHFFFAOYSA-N 1 2 323.421 4.119 20 30 DIEDLO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2cccc(C#N)n2)s1 ZINC001560695156 1060544266 /nfs/dbraw/zinc/54/42/66/1060544266.db2.gz ZCFQFVQVIYTIPC-UHFFFAOYSA-N 1 2 323.421 4.119 20 30 DIEDLO CN(Cc1ccccc1)c1ccc(Cc2ccc(C#N)cc2)c[nH+]1 ZINC001250054474 1060571352 /nfs/dbraw/zinc/57/13/52/1060571352.db2.gz LTSLUGOCYQIDMU-UHFFFAOYSA-N 1 2 313.404 4.180 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cc(F)ncc1F)c1ccc(F)c(F)c1 ZINC001560764704 1060630676 /nfs/dbraw/zinc/63/06/76/1060630676.db2.gz OJTWOQXEPXYQRZ-INIZCTEOSA-N 1 2 310.294 4.045 20 30 DIEDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@H+]2C[C@@H](C)CCC#N ZINC001560895654 1060760111 /nfs/dbraw/zinc/76/01/11/1060760111.db2.gz VZKCIEBMYUSQGB-DOTOQJQBSA-N 1 2 300.446 4.270 20 30 DIEDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@@H+]2C[C@@H](C)CCC#N ZINC001560895654 1060760121 /nfs/dbraw/zinc/76/01/21/1060760121.db2.gz VZKCIEBMYUSQGB-DOTOQJQBSA-N 1 2 300.446 4.270 20 30 DIEDLO CCCOc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1C ZINC001560905912 1060767295 /nfs/dbraw/zinc/76/72/95/1060767295.db2.gz USFFVLXDKWWWAQ-UHFFFAOYSA-N 1 2 306.409 4.171 20 30 DIEDLO CCCOc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1C ZINC001560905912 1060767311 /nfs/dbraw/zinc/76/73/11/1060767311.db2.gz USFFVLXDKWWWAQ-UHFFFAOYSA-N 1 2 306.409 4.171 20 30 DIEDLO N#Cc1cccc(CCc2[nH+]c3ccc(F)c(F)c3n2C2CC2)c1 ZINC001250581589 1060914714 /nfs/dbraw/zinc/91/47/14/1060914714.db2.gz HDIMBSWUTRGFIZ-UHFFFAOYSA-N 1 2 323.346 4.306 20 30 DIEDLO C=CCC1(C[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CCCC1 ZINC001462230191 1061043395 /nfs/dbraw/zinc/04/33/95/1061043395.db2.gz HZVJLZXEIMVQLU-INIZCTEOSA-N 1 2 302.466 4.152 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@H](CC)CCc1ccccc1)C(=O)OCC ZINC001462504597 1061213094 /nfs/dbraw/zinc/21/30/94/1061213094.db2.gz IWQFRPTZSJPNCL-SJORKVTESA-N 1 2 323.864 4.062 20 30 DIEDLO C=C(Br)C[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC001473615736 1061290714 /nfs/dbraw/zinc/29/07/14/1061290714.db2.gz IKVYJSLFVRAOQA-LBPRGKRZSA-N 1 2 300.265 4.008 20 30 DIEDLO C=C(Br)C[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC001473615736 1061290724 /nfs/dbraw/zinc/29/07/24/1061290724.db2.gz IKVYJSLFVRAOQA-LBPRGKRZSA-N 1 2 300.265 4.008 20 30 DIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(Cl)cc1F)C2 ZINC001473690615 1061351580 /nfs/dbraw/zinc/35/15/80/1061351580.db2.gz IMHNPKOYIAXSJH-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(Cl)cc1F)C2 ZINC001473690615 1061351599 /nfs/dbraw/zinc/35/15/99/1061351599.db2.gz IMHNPKOYIAXSJH-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO C=CCC[C@@H]1CCC[N@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC001473857415 1061437696 /nfs/dbraw/zinc/43/76/96/1061437696.db2.gz RDNYUJSKRFFFRQ-SECBINFHSA-N 1 2 305.290 4.313 20 30 DIEDLO C=CCC[C@@H]1CCC[N@@H+]1Cc1c(F)c(F)c(F)c(F)c1F ZINC001473857415 1061437701 /nfs/dbraw/zinc/43/77/01/1061437701.db2.gz RDNYUJSKRFFFRQ-SECBINFHSA-N 1 2 305.290 4.313 20 30 DIEDLO C=CCCC[C@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001546145087 1061564149 /nfs/dbraw/zinc/56/41/49/1061564149.db2.gz BAAPGITXKHMJNR-HNNXBMFYSA-N 1 2 322.880 4.023 20 30 DIEDLO C=CCCC[C@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001546145087 1061564168 /nfs/dbraw/zinc/56/41/68/1061564168.db2.gz BAAPGITXKHMJNR-HNNXBMFYSA-N 1 2 322.880 4.023 20 30 DIEDLO CCCCCCCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001252130034 1061587104 /nfs/dbraw/zinc/58/71/04/1061587104.db2.gz JDXIJSVWKUSJDP-IRXDYDNUSA-N 1 2 323.481 4.017 20 30 DIEDLO CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001252130034 1061587126 /nfs/dbraw/zinc/58/71/26/1061587126.db2.gz JDXIJSVWKUSJDP-IRXDYDNUSA-N 1 2 323.481 4.017 20 30 DIEDLO CCCCCCCCCC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC001252984508 1061775924 /nfs/dbraw/zinc/77/59/24/1061775924.db2.gz ISQFOUSSVOIIKZ-QGZVFWFLSA-N 1 2 312.523 4.467 20 30 DIEDLO CCCCCCCCCC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC001252984508 1061775943 /nfs/dbraw/zinc/77/59/43/1061775943.db2.gz ISQFOUSSVOIIKZ-QGZVFWFLSA-N 1 2 312.523 4.467 20 30 DIEDLO CCCCCCCCCC[C@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC001252986206 1061776877 /nfs/dbraw/zinc/77/68/77/1061776877.db2.gz UDTABXLSETUNGO-IBGZPJMESA-N 1 2 304.478 4.289 20 30 DIEDLO CCCCCCCCCC[C@H](O)C[N@H+]1Cc2ccncc2C1 ZINC001252986206 1061776898 /nfs/dbraw/zinc/77/68/98/1061776898.db2.gz UDTABXLSETUNGO-IBGZPJMESA-N 1 2 304.478 4.289 20 30 DIEDLO C=CCCCCCC[C@@H](O)CNc1ccccc1-n1cc[nH+]c1 ZINC001253230365 1061835267 /nfs/dbraw/zinc/83/52/67/1061835267.db2.gz XYVRFAMPFIJEBC-QGZVFWFLSA-N 1 2 313.445 4.172 20 30 DIEDLO COc1cc(CNc2ccc3[nH+]c(C)cc(C)c3c2)ccc1C#N ZINC001474267769 1061835529 /nfs/dbraw/zinc/83/55/29/1061835529.db2.gz MVJFCRKZAJIHHU-UHFFFAOYSA-N 1 2 317.392 4.344 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001474334451 1061927479 /nfs/dbraw/zinc/92/74/79/1061927479.db2.gz PGOOOPMHGBPEMI-UHFFFAOYSA-N 1 2 316.788 4.436 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001474334451 1061927496 /nfs/dbraw/zinc/92/74/96/1061927496.db2.gz PGOOOPMHGBPEMI-UHFFFAOYSA-N 1 2 316.788 4.436 20 30 DIEDLO CCC(C#N)(CC)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254351896 1062085386 /nfs/dbraw/zinc/08/53/86/1062085386.db2.gz YZXZXGGYKOYGFL-UHFFFAOYSA-N 1 2 313.420 4.202 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(O)cc(Cl)c1)c1ccc(Cl)cc1 ZINC001474555999 1062257867 /nfs/dbraw/zinc/25/78/67/1062257867.db2.gz FZOJVDUKXIQOOI-INIZCTEOSA-N 1 2 306.192 4.163 20 30 DIEDLO CCCCCCCC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001470635372 1062826717 /nfs/dbraw/zinc/82/67/17/1062826717.db2.gz VOQLVSUVRCYKNH-QGZVFWFLSA-N 1 2 322.880 4.173 20 30 DIEDLO CCC(C#N)(CC)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257828258 1063398070 /nfs/dbraw/zinc/39/80/70/1063398070.db2.gz DZORXWHWECDTAK-UHFFFAOYSA-N 1 2 300.446 4.186 20 30 DIEDLO CCCCCCC[C@H](C)[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001258049598 1063482006 /nfs/dbraw/zinc/48/20/06/1063482006.db2.gz LSADQCCHSHMVNE-INIZCTEOSA-N 1 2 319.493 4.299 20 30 DIEDLO CCCCCCC[C@H](C)[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001258049598 1063482016 /nfs/dbraw/zinc/48/20/16/1063482016.db2.gz LSADQCCHSHMVNE-INIZCTEOSA-N 1 2 319.493 4.299 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(O)ccc(Cl)c1F ZINC001461903008 1063788521 /nfs/dbraw/zinc/78/85/21/1063788521.db2.gz XSDPHTNFUAHVKY-UHFFFAOYSA-N 1 2 312.816 4.337 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(O)ccc(Cl)c1F ZINC001461903008 1063788529 /nfs/dbraw/zinc/78/85/29/1063788529.db2.gz XSDPHTNFUAHVKY-UHFFFAOYSA-N 1 2 312.816 4.337 20 30 DIEDLO CC[C@]1(C)CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001307494510 1065437766 /nfs/dbraw/zinc/43/77/66/1065437766.db2.gz UKUAYYFKWDFCIU-MRXNPFEDSA-N 1 2 321.262 4.333 20 30 DIEDLO CC[C@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001307494510 1065437768 /nfs/dbraw/zinc/43/77/68/1065437768.db2.gz UKUAYYFKWDFCIU-MRXNPFEDSA-N 1 2 321.262 4.333 20 30 DIEDLO C=CCCC[N@@H+](C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001307572682 1065489547 /nfs/dbraw/zinc/48/95/47/1065489547.db2.gz BMDPJOMBUUAIMR-AWEZNQCLSA-N 1 2 316.228 4.106 20 30 DIEDLO C=CCCC[N@H+](C)[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001307572682 1065489561 /nfs/dbraw/zinc/48/95/61/1065489561.db2.gz BMDPJOMBUUAIMR-AWEZNQCLSA-N 1 2 316.228 4.106 20 30 DIEDLO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)c1cccc(C#N)c1 ZINC001307874397 1065665814 /nfs/dbraw/zinc/66/58/14/1065665814.db2.gz BTZFQIDWGJKNIX-DNVCBOLYSA-N 1 2 317.392 4.181 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cccn1C(F)F)c1ccc(Cl)cc1F ZINC001308757046 1066230729 /nfs/dbraw/zinc/23/07/29/1066230729.db2.gz ADKKZYNRVGPBTP-CQSZACIVSA-N 1 2 312.722 4.140 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1ccc(F)cc1 ZINC001308785231 1066259896 /nfs/dbraw/zinc/25/98/96/1066259896.db2.gz CGXHXXCODBVQIG-ZDUSSCGKSA-N 1 2 313.319 4.370 20 30 DIEDLO C=CC[N@H+](Cc1csc(C2CC2)n1)Cc1cccc(C#N)c1 ZINC000135172098 335024683 /nfs/dbraw/zinc/02/46/83/335024683.db2.gz KHYXMUGGTSDIII-UHFFFAOYSA-N 1 2 309.438 4.080 20 30 DIEDLO C=CC[N@@H+](Cc1csc(C2CC2)n1)Cc1cccc(C#N)c1 ZINC000135172098 335024684 /nfs/dbraw/zinc/02/46/84/335024684.db2.gz KHYXMUGGTSDIII-UHFFFAOYSA-N 1 2 309.438 4.080 20 30 DIEDLO CC(C)c1nc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000274393579 130231775 /nfs/dbraw/zinc/23/17/75/130231775.db2.gz CONFICFVWXPPIW-ZDUSSCGKSA-N 1 2 311.454 4.478 20 30 DIEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 ZINC000289777496 335065179 /nfs/dbraw/zinc/06/51/79/335065179.db2.gz KYKFVFPIOANNFK-SFHVURJKSA-N 1 2 321.424 4.046 20 30 DIEDLO C#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 ZINC000289777496 335065180 /nfs/dbraw/zinc/06/51/80/335065180.db2.gz KYKFVFPIOANNFK-SFHVURJKSA-N 1 2 321.424 4.046 20 30 DIEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 ZINC000289777487 335065253 /nfs/dbraw/zinc/06/52/53/335065253.db2.gz KYKFVFPIOANNFK-GOSISDBHSA-N 1 2 321.424 4.046 20 30 DIEDLO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 ZINC000289777487 335065254 /nfs/dbraw/zinc/06/52/54/335065254.db2.gz KYKFVFPIOANNFK-GOSISDBHSA-N 1 2 321.424 4.046 20 30 DIEDLO N#Cc1ccc(C(F)(F)F)nc1Nc1ccc2c(c1)CCC[NH2+]2 ZINC000261706320 331792491 /nfs/dbraw/zinc/79/24/91/331792491.db2.gz KLQKCKPHFNFPLE-UHFFFAOYSA-N 1 2 318.302 4.074 20 30 DIEDLO CCCCc1[nH]c2ccc(NC(=O)c3ccc(C#N)cc3)cc2[nH+]1 ZINC000409721760 332051196 /nfs/dbraw/zinc/05/11/96/332051196.db2.gz QWZAPJIPQVXYOI-UHFFFAOYSA-N 1 2 318.380 4.029 20 30 DIEDLO C=CCCc1ccccc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000410375081 332119513 /nfs/dbraw/zinc/11/95/13/332119513.db2.gz ZKCRUTAWSZPRJG-UHFFFAOYSA-N 1 2 319.408 4.102 20 30 DIEDLO CC(C)Sc1ccccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092171615 332120864 /nfs/dbraw/zinc/12/08/64/332120864.db2.gz OWJWRWCLTCDCQA-UHFFFAOYSA-N 1 2 322.437 4.319 20 30 DIEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1Cl ZINC000352834963 332383583 /nfs/dbraw/zinc/38/35/83/332383583.db2.gz MWPUIVJZZAJVBN-QMMMGPOBSA-N 1 2 312.225 4.172 20 30 DIEDLO Cc1cc([NH+](C)C)ccc1NCc1ccc(N(C)CCC#N)cc1 ZINC000121474858 332396293 /nfs/dbraw/zinc/39/62/93/332396293.db2.gz XFRJNPTXWVRZOD-UHFFFAOYSA-N 1 2 322.456 4.023 20 30 DIEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425581335 335106543 /nfs/dbraw/zinc/10/65/43/335106543.db2.gz ZOEPPFIUMXIJPB-OAHLLOKOSA-N 1 2 323.440 4.427 20 30 DIEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1c(F)cccc1Cl ZINC000428350677 332517947 /nfs/dbraw/zinc/51/79/47/332517947.db2.gz VBXFOJCNUJUQPT-JTQLQIEISA-N 1 2 306.743 4.341 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cn(C(C)C)nc1C)c1ccc(Cl)cc1F ZINC000491303556 333019821 /nfs/dbraw/zinc/01/98/21/333019821.db2.gz BJRFENZSOVGRHE-QGZVFWFLSA-N 1 2 319.811 4.029 20 30 DIEDLO N#C[C@H]1CCC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000185740716 333213051 /nfs/dbraw/zinc/21/30/51/333213051.db2.gz KRIPNAHHCAIODE-YJBOKZPZSA-N 1 2 320.440 4.381 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187502169 333233820 /nfs/dbraw/zinc/23/38/20/333233820.db2.gz HMZSPIGCVNGPRO-MRXNPFEDSA-N 1 2 324.827 4.182 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187502169 333233821 /nfs/dbraw/zinc/23/38/21/333233821.db2.gz HMZSPIGCVNGPRO-MRXNPFEDSA-N 1 2 324.827 4.182 20 30 DIEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187801970 333238287 /nfs/dbraw/zinc/23/82/87/333238287.db2.gz VHIMIOARNZTQFY-BLLLJJGKSA-N 1 2 316.351 4.366 20 30 DIEDLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000390300060 333261334 /nfs/dbraw/zinc/26/13/34/333261334.db2.gz RZAOOJOUEFINAZ-HNNXBMFYSA-N 1 2 306.413 4.117 20 30 DIEDLO C[C@H]([NH2+][C@@H](CCc1ccccc1)C(F)F)c1ccc(C#N)cc1 ZINC000497550052 333261555 /nfs/dbraw/zinc/26/15/55/333261555.db2.gz JKNVXMRUTGDAQF-KSSFIOAISA-N 1 2 314.379 4.475 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000364859333 333332412 /nfs/dbraw/zinc/33/24/12/333332412.db2.gz LMMIONDNIZRODV-MSOLQXFVSA-N 1 2 311.816 4.007 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000364859333 333332413 /nfs/dbraw/zinc/33/24/13/333332413.db2.gz LMMIONDNIZRODV-MSOLQXFVSA-N 1 2 311.816 4.007 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1nccn1CC)c1ccc(F)c(F)c1 ZINC000296316247 335143358 /nfs/dbraw/zinc/14/33/58/335143358.db2.gz FMQOECVFDCFDEH-MLGOLLRUSA-N 1 2 305.372 4.149 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(F)c(F)c1 ZINC000296503498 335146036 /nfs/dbraw/zinc/14/60/36/335146036.db2.gz QDEQIBIFQOIIML-UVBJJODRSA-N 1 2 303.356 4.074 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000272501363 334035915 /nfs/dbraw/zinc/03/59/15/334035915.db2.gz HCMQBBQCWXHRFI-UHFFFAOYSA-N 1 2 316.754 4.484 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000272596456 334037905 /nfs/dbraw/zinc/03/79/05/334037905.db2.gz QFNPYKHGBFANQV-UHFFFAOYSA-N 1 2 314.763 4.067 20 30 DIEDLO Cc1ccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)cc1 ZINC000272613967 334038087 /nfs/dbraw/zinc/03/80/87/334038087.db2.gz STWBEZMBGSSKII-UHFFFAOYSA-N 1 2 311.454 4.244 20 30 DIEDLO CCc1cc(OCCCC2(C#N)CCOCC2)c2ccccc2[nH+]1 ZINC000281235006 334124287 /nfs/dbraw/zinc/12/42/87/334124287.db2.gz FQXDGPQFQBTPEZ-UHFFFAOYSA-N 1 2 324.424 4.277 20 30 DIEDLO Cc1ccc[nH+]c1[C@@H]1CCC[C@H](Nc2cccc(OCC#N)c2)C1 ZINC000281497395 334126495 /nfs/dbraw/zinc/12/64/95/334126495.db2.gz GNQWLWGNUMKMSD-SJORKVTESA-N 1 2 321.424 4.431 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284315077 334142934 /nfs/dbraw/zinc/14/29/34/334142934.db2.gz JREZBLCKUHMOTO-NSHDSACASA-N 1 2 305.834 4.197 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284315077 334142936 /nfs/dbraw/zinc/14/29/36/334142936.db2.gz JREZBLCKUHMOTO-NSHDSACASA-N 1 2 305.834 4.197 20 30 DIEDLO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)c(Cl)c1O ZINC000295855918 334227950 /nfs/dbraw/zinc/22/79/50/334227950.db2.gz BGBLJMVUBKMUBS-VWYCJHECSA-N 1 2 313.228 4.432 20 30 DIEDLO Cc1[nH+]c(C(C)C)ccc1COC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000297316768 334240579 /nfs/dbraw/zinc/24/05/79/334240579.db2.gz RZVWKOLKAOOBEB-IBGZPJMESA-N 1 2 312.413 4.031 20 30 DIEDLO Cc1[nH+]c(C(C)C)ccc1CNc1ccccc1O[C@H](C)C#N ZINC000297933616 334245016 /nfs/dbraw/zinc/24/50/16/334245016.db2.gz XTJJHURGHBLROH-CQSZACIVSA-N 1 2 309.413 4.416 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3coc(-c4cccs4)n3)CC2)c1 ZINC000341971093 334498585 /nfs/dbraw/zinc/49/85/85/334498585.db2.gz OWOIFLKKVZJBEI-UHFFFAOYSA-N 1 2 321.405 4.054 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1cn(C)nc1C1CCCCC1 ZINC000346134014 335379711 /nfs/dbraw/zinc/37/97/11/335379711.db2.gz DNISHERFULURJE-UHFFFAOYSA-N 1 2 316.493 4.230 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1cn(C)nc1C1CCCCC1 ZINC000346134014 335379713 /nfs/dbraw/zinc/37/97/13/335379713.db2.gz DNISHERFULURJE-UHFFFAOYSA-N 1 2 316.493 4.230 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc([C@@H](C)OCC)n1 ZINC000352701392 336231195 /nfs/dbraw/zinc/23/11/95/336231195.db2.gz JHAQOEDGEPIWEY-CQSZACIVSA-N 1 2 320.458 4.064 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)Cc1csc([C@@H](C)OCC)n1 ZINC000352701392 336231196 /nfs/dbraw/zinc/23/11/96/336231196.db2.gz JHAQOEDGEPIWEY-CQSZACIVSA-N 1 2 320.458 4.064 20 30 DIEDLO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000532572731 336256772 /nfs/dbraw/zinc/25/67/72/336256772.db2.gz CFCMTMMOGZQEAT-OAHLLOKOSA-N 1 2 318.461 4.084 20 30 DIEDLO C=CCCCCC[N@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000532572731 336256773 /nfs/dbraw/zinc/25/67/73/336256773.db2.gz CFCMTMMOGZQEAT-OAHLLOKOSA-N 1 2 318.461 4.084 20 30 DIEDLO N#Cc1csc(C[NH2+]Cc2cccc(Oc3ccccc3)c2)n1 ZINC000352837297 336273121 /nfs/dbraw/zinc/27/31/21/336273121.db2.gz ZBVIMNBPHMRVJO-UHFFFAOYSA-N 1 2 321.405 4.097 20 30 DIEDLO Cc1cc(Nc2cccc(OCCCC#N)c2)nc(C(C)C)[nH+]1 ZINC000301099953 336289964 /nfs/dbraw/zinc/28/99/64/336289964.db2.gz QBJGZQHOUDACJR-UHFFFAOYSA-N 1 2 310.401 4.335 20 30 DIEDLO N#Cc1cccc(Cl)c1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000301209094 336294936 /nfs/dbraw/zinc/29/49/36/336294936.db2.gz SKHPRSYMQIONES-UHFFFAOYSA-N 1 2 317.179 4.125 20 30 DIEDLO CCn1c(CCNc2cc(Cl)ccc2C#N)[nH+]c2ccccc21 ZINC000301267022 336297783 /nfs/dbraw/zinc/29/77/83/336297783.db2.gz IFFAVNBQJJSSMN-UHFFFAOYSA-N 1 2 324.815 4.236 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000356459163 336550668 /nfs/dbraw/zinc/55/06/68/336550668.db2.gz QUROPYXPJGAHAF-UHFFFAOYSA-N 1 2 303.475 4.316 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ncc(-c2ccccc2)o1 ZINC000174061792 337139024 /nfs/dbraw/zinc/13/90/24/337139024.db2.gz LZZVRDYILLLXLN-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000181900745 337185148 /nfs/dbraw/zinc/18/51/48/337185148.db2.gz VRCADNWLEIRYMV-KBPBESRZSA-N 1 2 318.380 4.020 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000181900932 337185260 /nfs/dbraw/zinc/18/52/60/337185260.db2.gz VRCADNWLEIRYMV-UONOGXRCSA-N 1 2 318.380 4.020 20 30 DIEDLO Cc1cnc([C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)C2CC2)s1 ZINC000187488578 337266224 /nfs/dbraw/zinc/26/62/24/337266224.db2.gz HGUYRWPZZJHESI-HNNXBMFYSA-N 1 2 317.845 4.218 20 30 DIEDLO Cc1cnc([C@H]([NH2+]Cc2ccc(Cl)cc2C#N)C2CC2)s1 ZINC000187488561 337266240 /nfs/dbraw/zinc/26/62/40/337266240.db2.gz HGUYRWPZZJHESI-OAHLLOKOSA-N 1 2 317.845 4.218 20 30 DIEDLO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1c(C)noc1C ZINC000187492607 337266261 /nfs/dbraw/zinc/26/62/61/337266261.db2.gz DMPAPECHZLFJDS-OAHLLOKOSA-N 1 2 303.793 4.057 20 30 DIEDLO C=CC[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC000188859553 337275220 /nfs/dbraw/zinc/27/52/20/337275220.db2.gz WZPAYQUEFJMOQR-SFHVURJKSA-N 1 2 317.392 4.375 20 30 DIEDLO Cc1nc([C@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)cs1 ZINC000189749145 337281425 /nfs/dbraw/zinc/28/14/25/337281425.db2.gz ZBTKZFSHOAAWDH-QGZVFWFLSA-N 1 2 316.857 4.294 20 30 DIEDLO Cc1nc([C@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)cs1 ZINC000189749145 337281426 /nfs/dbraw/zinc/28/14/26/337281426.db2.gz ZBTKZFSHOAAWDH-QGZVFWFLSA-N 1 2 316.857 4.294 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000192183449 337303710 /nfs/dbraw/zinc/30/37/10/337303710.db2.gz DEEWAKXLHUXQIO-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO Cc1oc(-c2cccs2)nc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026329723 337387023 /nfs/dbraw/zinc/38/70/23/337387023.db2.gz WKDOIMKORDPFGB-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO Cc1oc(-c2cccs2)nc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026329723 337387024 /nfs/dbraw/zinc/38/70/24/337387024.db2.gz WKDOIMKORDPFGB-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000130213230 337432424 /nfs/dbraw/zinc/43/24/24/337432424.db2.gz CJUFXYIBPQVMHV-UONOGXRCSA-N 1 2 318.380 4.020 20 30 DIEDLO C#CCCCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277475298 337666375 /nfs/dbraw/zinc/66/63/75/337666375.db2.gz BEZFAGXEMGBDBA-UHFFFAOYSA-N 1 2 321.424 4.019 20 30 DIEDLO CCCc1nc(C)c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000428255316 338044540 /nfs/dbraw/zinc/04/45/40/338044540.db2.gz JWWIDQGRDJCIHW-MSOLQXFVSA-N 1 2 323.440 4.207 20 30 DIEDLO CCCc1nc(C)c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000428255316 338044541 /nfs/dbraw/zinc/04/45/41/338044541.db2.gz JWWIDQGRDJCIHW-MSOLQXFVSA-N 1 2 323.440 4.207 20 30 DIEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1OC(F)F ZINC000428297651 338046141 /nfs/dbraw/zinc/04/61/41/338046141.db2.gz GSRHHBFWFJOJKM-LLVKDONJSA-N 1 2 320.314 4.150 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)c(F)c1 ZINC000428423476 338050927 /nfs/dbraw/zinc/05/09/27/338050927.db2.gz QMDRRFCAJAYBAX-GOSISDBHSA-N 1 2 316.326 4.383 20 30 DIEDLO N#Cc1c(F)cccc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000428456138 338052717 /nfs/dbraw/zinc/05/27/17/338052717.db2.gz HCQQQEYQBIPWRD-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO N#Cc1c(F)cccc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000428456138 338052718 /nfs/dbraw/zinc/05/27/18/338052718.db2.gz HCQQQEYQBIPWRD-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO N#Cc1c(F)cccc1C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000428471665 338054336 /nfs/dbraw/zinc/05/43/36/338054336.db2.gz BUPPWLXHXSLWJY-UHFFFAOYSA-N 1 2 320.367 4.493 20 30 DIEDLO N#Cc1c(F)cccc1C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000428471665 338054337 /nfs/dbraw/zinc/05/43/37/338054337.db2.gz BUPPWLXHXSLWJY-UHFFFAOYSA-N 1 2 320.367 4.493 20 30 DIEDLO N#CC1(C[NH+]2CCC(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000428726347 338059674 /nfs/dbraw/zinc/05/96/74/338059674.db2.gz UOXVEWWBQBOASE-UHFFFAOYSA-N 1 2 309.240 4.477 20 30 DIEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428951853 338066487 /nfs/dbraw/zinc/06/64/87/338066487.db2.gz HEOQKYFCHKEVCN-SFHVURJKSA-N 1 2 312.388 4.289 20 30 DIEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428951853 338066488 /nfs/dbraw/zinc/06/64/88/338066488.db2.gz HEOQKYFCHKEVCN-SFHVURJKSA-N 1 2 312.388 4.289 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1c(OC(F)F)ccc2ccccc21 ZINC000430099408 338096439 /nfs/dbraw/zinc/09/64/39/338096439.db2.gz UJQASCWZIRWLJQ-UHFFFAOYSA-N 1 2 316.351 4.343 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1c(OC(F)F)ccc2ccccc21 ZINC000430099408 338096440 /nfs/dbraw/zinc/09/64/40/338096440.db2.gz UJQASCWZIRWLJQ-UHFFFAOYSA-N 1 2 316.351 4.343 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000430111841 338097458 /nfs/dbraw/zinc/09/74/58/338097458.db2.gz VCYXXPUWRURCII-UHFFFAOYSA-N 1 2 300.402 4.456 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000430111841 338097459 /nfs/dbraw/zinc/09/74/59/338097459.db2.gz VCYXXPUWRURCII-UHFFFAOYSA-N 1 2 300.402 4.456 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(F)cc1C#N ZINC000433253280 338188023 /nfs/dbraw/zinc/18/80/23/338188023.db2.gz RROQVROZJOBYLU-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(F)cc1C#N ZINC000433253280 338188024 /nfs/dbraw/zinc/18/80/24/338188024.db2.gz RROQVROZJOBYLU-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC(C)CCn1cccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000434983356 338228716 /nfs/dbraw/zinc/22/87/16/338228716.db2.gz UWJSPWBBECANRW-UHFFFAOYSA-N 1 2 313.420 4.177 20 30 DIEDLO CC(C)CCn1cccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000434983356 338228717 /nfs/dbraw/zinc/22/87/17/338228717.db2.gz UWJSPWBBECANRW-UHFFFAOYSA-N 1 2 313.420 4.177 20 30 DIEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)cs1 ZINC000439432769 338369246 /nfs/dbraw/zinc/36/92/46/338369246.db2.gz VRVYRGYXXSGTLI-MRXNPFEDSA-N 1 2 317.845 4.314 20 30 DIEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)cs1 ZINC000439432769 338369247 /nfs/dbraw/zinc/36/92/47/338369247.db2.gz VRVYRGYXXSGTLI-MRXNPFEDSA-N 1 2 317.845 4.314 20 30 DIEDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccc(C#N)cc1Cl ZINC000439459792 338370211 /nfs/dbraw/zinc/37/02/11/338370211.db2.gz WHRQURNGJWNWSB-UHFFFAOYSA-N 1 2 324.733 4.261 20 30 DIEDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccc(C#N)cc1Cl ZINC000439459792 338370212 /nfs/dbraw/zinc/37/02/12/338370212.db2.gz WHRQURNGJWNWSB-UHFFFAOYSA-N 1 2 324.733 4.261 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1F ZINC000449733340 338648617 /nfs/dbraw/zinc/64/86/17/338648617.db2.gz HSCMITCZVAGFMZ-KRWDZBQOSA-N 1 2 318.342 4.053 20 30 DIEDLO N#CC1(F)CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450532235 338689652 /nfs/dbraw/zinc/68/96/52/338689652.db2.gz WMDMRNWFPQNTDN-UHFFFAOYSA-N 1 2 323.293 4.086 20 30 DIEDLO COc1ccc([C@@H]([NH2+]CC2(C#N)CCC2)c2ccc(F)cc2)cc1 ZINC000450554100 338690484 /nfs/dbraw/zinc/69/04/84/338690484.db2.gz KTALRKKZKQOUDY-IBGZPJMESA-N 1 2 324.399 4.207 20 30 DIEDLO Cc1cc(C)c(CNc2ccc(C#N)cc2C(F)(F)F)c[nH+]1 ZINC000450904368 338711653 /nfs/dbraw/zinc/71/16/53/338711653.db2.gz FAORILRNIGCSRQ-UHFFFAOYSA-N 1 2 305.303 4.201 20 30 DIEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000459485371 339032268 /nfs/dbraw/zinc/03/22/68/339032268.db2.gz IPXTUTKMVNLXMQ-ZDUSSCGKSA-N 1 2 321.380 4.195 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nc2c(s1)CCC2 ZINC000459637554 339039758 /nfs/dbraw/zinc/03/97/58/339039758.db2.gz XWLPMOVWZMXXSO-JTQLQIEISA-N 1 2 317.845 4.008 20 30 DIEDLO N#CCC[C@H](C#N)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459764862 339047158 /nfs/dbraw/zinc/04/71/58/339047158.db2.gz ZRICIYDXIPDONI-IEBWSBKVSA-N 1 2 307.441 4.437 20 30 DIEDLO N#CCC[C@H](C#N)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459764862 339047159 /nfs/dbraw/zinc/04/71/59/339047159.db2.gz ZRICIYDXIPDONI-IEBWSBKVSA-N 1 2 307.441 4.437 20 30 DIEDLO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000462950440 339098765 /nfs/dbraw/zinc/09/87/65/339098765.db2.gz CVBIRFPKKXGYGY-RTBURBONSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000462950440 339098766 /nfs/dbraw/zinc/09/87/66/339098766.db2.gz CVBIRFPKKXGYGY-RTBURBONSA-N 1 2 324.399 4.106 20 30 DIEDLO N#Cc1ccc(CNc2ccc(-c3ccccc3)c[nH+]2)c(F)c1 ZINC000466627290 339210858 /nfs/dbraw/zinc/21/08/58/339210858.db2.gz LZMJBQIIBHCRRW-UHFFFAOYSA-N 1 2 303.340 4.371 20 30 DIEDLO N#Cc1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)ccc1F ZINC000468275704 339258554 /nfs/dbraw/zinc/25/85/54/339258554.db2.gz CEBTYVQZPJFKHU-UHFFFAOYSA-N 1 2 316.326 4.140 20 30 DIEDLO N#Cc1cc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)ccc1F ZINC000468275704 339258555 /nfs/dbraw/zinc/25/85/55/339258555.db2.gz CEBTYVQZPJFKHU-UHFFFAOYSA-N 1 2 316.326 4.140 20 30 DIEDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000469150341 339281519 /nfs/dbraw/zinc/28/15/19/339281519.db2.gz ZTBPATBOLWIVGV-INIZCTEOSA-N 1 2 300.402 4.268 20 30 DIEDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000469150341 339281520 /nfs/dbraw/zinc/28/15/20/339281520.db2.gz ZTBPATBOLWIVGV-INIZCTEOSA-N 1 2 300.402 4.268 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)s1 ZINC000473120837 339381330 /nfs/dbraw/zinc/38/13/30/339381330.db2.gz HESVDFINVSTHAD-UHFFFAOYSA-N 1 2 316.376 4.187 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)s1 ZINC000473120837 339381331 /nfs/dbraw/zinc/38/13/31/339381331.db2.gz HESVDFINVSTHAD-UHFFFAOYSA-N 1 2 316.376 4.187 20 30 DIEDLO N#Cc1ccc(SCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000488753199 339792390 /nfs/dbraw/zinc/79/23/90/339792390.db2.gz LUSYBBYOCQYRIN-UHFFFAOYSA-N 1 2 305.406 4.095 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000499066530 340029020 /nfs/dbraw/zinc/02/90/20/340029020.db2.gz XYUXQEPFBLVZOX-HNNXBMFYSA-N 1 2 314.454 4.072 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000499066530 340029021 /nfs/dbraw/zinc/02/90/21/340029021.db2.gz XYUXQEPFBLVZOX-HNNXBMFYSA-N 1 2 314.454 4.072 20 30 DIEDLO C=CCCc1ccccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000500453471 340059312 /nfs/dbraw/zinc/05/93/12/340059312.db2.gz VOBMVTCZLKVIKT-UHFFFAOYSA-N 1 2 307.441 4.413 20 30 DIEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000501267165 340077610 /nfs/dbraw/zinc/07/76/10/340077610.db2.gz QRFHZFAZKMBGOA-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000501267165 340077611 /nfs/dbraw/zinc/07/76/11/340077611.db2.gz QRFHZFAZKMBGOA-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO C[N@H+](Cc1ccc(F)cc1Cl)Cc1cc(C#N)ccc1F ZINC000503619573 340132378 /nfs/dbraw/zinc/13/23/78/340132378.db2.gz YHLNURFZSQZDEQ-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)cc1Cl)Cc1cc(C#N)ccc1F ZINC000503619573 340132379 /nfs/dbraw/zinc/13/23/79/340132379.db2.gz YHLNURFZSQZDEQ-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1F)Cc1ccc(F)cc1Cl ZINC000503620818 340132557 /nfs/dbraw/zinc/13/25/57/340132557.db2.gz YNKVGBOXZQMZAI-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1F)Cc1ccc(F)cc1Cl ZINC000503620818 340132558 /nfs/dbraw/zinc/13/25/58/340132558.db2.gz YNKVGBOXZQMZAI-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CC[N@@H+](Cc1ccc(-c2cccc(F)c2C)o1)C[C@@H](C)C#N ZINC000509799046 340279346 /nfs/dbraw/zinc/27/93/46/340279346.db2.gz LTXXWHOVAFVCJR-ZDUSSCGKSA-N 1 2 300.377 4.376 20 30 DIEDLO CC[N@H+](Cc1ccc(-c2cccc(F)c2C)o1)C[C@@H](C)C#N ZINC000509799046 340279347 /nfs/dbraw/zinc/27/93/47/340279347.db2.gz LTXXWHOVAFVCJR-ZDUSSCGKSA-N 1 2 300.377 4.376 20 30 DIEDLO CC[N@@H+](Cc1cc(-c2ccccc2)ccc1OC)C[C@@H](C)C#N ZINC000509808412 340279754 /nfs/dbraw/zinc/27/97/54/340279754.db2.gz QRBZXGPWFUABNO-INIZCTEOSA-N 1 2 308.425 4.344 20 30 DIEDLO CC[N@H+](Cc1cc(-c2ccccc2)ccc1OC)C[C@@H](C)C#N ZINC000509808412 340279755 /nfs/dbraw/zinc/27/97/55/340279755.db2.gz QRBZXGPWFUABNO-INIZCTEOSA-N 1 2 308.425 4.344 20 30 DIEDLO CC[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@@H](C)C#N ZINC000509814259 340279962 /nfs/dbraw/zinc/27/99/62/340279962.db2.gz SRWJYWMIXQHATI-JTQLQIEISA-N 1 2 304.743 4.340 20 30 DIEDLO CC[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@@H](C)C#N ZINC000509814259 340279963 /nfs/dbraw/zinc/27/99/63/340279963.db2.gz SRWJYWMIXQHATI-JTQLQIEISA-N 1 2 304.743 4.340 20 30 DIEDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000303218952 340313341 /nfs/dbraw/zinc/31/33/41/340313341.db2.gz USWKISFOVKUGRU-GOSISDBHSA-N 1 2 310.372 4.043 20 30 DIEDLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000303218952 340313342 /nfs/dbraw/zinc/31/33/42/340313342.db2.gz USWKISFOVKUGRU-GOSISDBHSA-N 1 2 310.372 4.043 20 30 DIEDLO C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000510972469 340316586 /nfs/dbraw/zinc/31/65/86/340316586.db2.gz YDIKTBFWIWLFSW-JTQLQIEISA-N 1 2 301.192 4.382 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000511596509 340331859 /nfs/dbraw/zinc/33/18/59/340331859.db2.gz RZSACDGSIQBPJQ-KRWDZBQOSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000511596509 340331860 /nfs/dbraw/zinc/33/18/60/340331860.db2.gz RZSACDGSIQBPJQ-KRWDZBQOSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000511625697 340333053 /nfs/dbraw/zinc/33/30/53/340333053.db2.gz RVNJOLXWZDEBGF-KRWDZBQOSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000511625697 340333054 /nfs/dbraw/zinc/33/30/54/340333054.db2.gz RVNJOLXWZDEBGF-KRWDZBQOSA-N 1 2 300.764 4.298 20 30 DIEDLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1F ZINC000512619147 340369444 /nfs/dbraw/zinc/36/94/44/340369444.db2.gz LERGNQUJIWRKEW-LLVKDONJSA-N 1 2 317.433 4.302 20 30 DIEDLO CCC(CC)c1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)on1 ZINC000512646825 340370793 /nfs/dbraw/zinc/37/07/93/340370793.db2.gz DKGCCFKVHABBQX-GFCCVEGCSA-N 1 2 315.392 4.440 20 30 DIEDLO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000513197628 340396605 /nfs/dbraw/zinc/39/66/05/340396605.db2.gz XNGSCAFXXUJJHT-GOSISDBHSA-N 1 2 312.363 4.455 20 30 DIEDLO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000513197628 340396606 /nfs/dbraw/zinc/39/66/06/340396606.db2.gz XNGSCAFXXUJJHT-GOSISDBHSA-N 1 2 312.363 4.455 20 30 DIEDLO N#Cc1cnc(Nc2ccc(Nc3ccccc3)[nH+]c2)c(Cl)c1 ZINC000513610101 340414988 /nfs/dbraw/zinc/41/49/88/340414988.db2.gz SPFYCQCQSXQXTE-UHFFFAOYSA-N 1 2 321.771 4.489 20 30 DIEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CC1 ZINC000521743123 340530584 /nfs/dbraw/zinc/53/05/84/340530584.db2.gz CLOYNSOPBHSQFK-JKSUJKDBSA-N 1 2 300.446 4.179 20 30 DIEDLO CC(C)CCc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000539935748 340910269 /nfs/dbraw/zinc/91/02/69/340910269.db2.gz NHXCAHMGEPNUMA-UHFFFAOYSA-N 1 2 318.424 4.407 20 30 DIEDLO Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)cc[nH+]1 ZINC000070890694 341018201 /nfs/dbraw/zinc/01/82/01/341018201.db2.gz SGMYHUQDQALRKG-UHFFFAOYSA-N 1 2 313.360 4.181 20 30 DIEDLO C=CCCCN(C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000077492072 341225650 /nfs/dbraw/zinc/22/56/50/341225650.db2.gz ZFNIKDMHATZYSO-UHFFFAOYSA-N 1 2 311.385 4.304 20 30 DIEDLO Cc1ccc(-c2cnc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)o2)cc1 ZINC000548936443 341281669 /nfs/dbraw/zinc/28/16/69/341281669.db2.gz FTRVBAQQSPBSGO-HNNXBMFYSA-N 1 2 317.392 4.373 20 30 DIEDLO C[C@H](Nc1cccc(OCCCC#N)c1)c1cn2ccccc2[nH+]1 ZINC000576715703 341859936 /nfs/dbraw/zinc/85/99/36/341859936.db2.gz LUODJYSHTJVYEU-HNNXBMFYSA-N 1 2 320.396 4.190 20 30 DIEDLO N#Cc1c(NCCCCNc2cccc[nH+]2)cccc1C(F)F ZINC000577565559 341918274 /nfs/dbraw/zinc/91/82/74/341918274.db2.gz CISKDKKYSKJLFD-UHFFFAOYSA-N 1 2 316.355 4.195 20 30 DIEDLO N#Cc1cscc1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000339603617 526785337 /nfs/dbraw/zinc/78/53/37/526785337.db2.gz STNYOTKXTZVYRX-UHFFFAOYSA-N 1 2 322.393 4.016 20 30 DIEDLO N#CCCCC[NH2+][C@H](c1ccc(Br)cc1)C(F)F ZINC000598677406 1042044931 /nfs/dbraw/zinc/04/49/31/1042044931.db2.gz GSWXXBKRXWBFBH-GFCCVEGCSA-N 1 2 317.177 4.039 20 30 DIEDLO CCC(=O)C(C)(C)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001208921220 1035941482 /nfs/dbraw/zinc/94/14/82/1035941482.db2.gz XUXZSVUDBPARKV-UHFFFAOYSA-N 1 2 306.837 4.061 20 30 DIEDLO CCC(=O)C(C)(C)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001208921220 1035941493 /nfs/dbraw/zinc/94/14/93/1035941493.db2.gz XUXZSVUDBPARKV-UHFFFAOYSA-N 1 2 306.837 4.061 20 30 DIEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(-c2cccs2)no1 ZINC000610343302 1036832694 /nfs/dbraw/zinc/83/26/94/1036832694.db2.gz DBIUVSJEXKOFFY-RYUDHWBXSA-N 1 2 324.409 4.082 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(C(F)(F)F)cc1 ZINC000255215578 1037207380 /nfs/dbraw/zinc/20/73/80/1037207380.db2.gz BJGWAKDPPFPNMO-HJWRWDBZSA-N 1 2 316.282 4.249 20 30 DIEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000341579904 1038145281 /nfs/dbraw/zinc/14/52/81/1038145281.db2.gz BGOFORGMHHHFBP-MRXNPFEDSA-N 1 2 322.305 4.481 20 30 DIEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000610771694 1038301361 /nfs/dbraw/zinc/30/13/61/1038301361.db2.gz SMLHHQIUXVXTLK-SFHVURJKSA-N 1 2 317.392 4.427 20 30 DIEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000610771694 1038301371 /nfs/dbraw/zinc/30/13/71/1038301371.db2.gz SMLHHQIUXVXTLK-SFHVURJKSA-N 1 2 317.392 4.427 20 30 DIEDLO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000599637292 1038325296 /nfs/dbraw/zinc/32/52/96/1038325296.db2.gz RREKIBJDVSEBNK-HNNXBMFYSA-N 1 2 319.246 4.198 20 30 DIEDLO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000599637292 1038325310 /nfs/dbraw/zinc/32/53/10/1038325310.db2.gz RREKIBJDVSEBNK-HNNXBMFYSA-N 1 2 319.246 4.198 20 30 DIEDLO C=C[C@](C)(CC)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000277210256 1038452801 /nfs/dbraw/zinc/45/28/01/1038452801.db2.gz YTSJXUACNOOVKS-HXUWFJFHSA-N 1 2 321.424 4.143 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3c[nH]c4ccccc34)n2c1 ZINC000255475590 1038557497 /nfs/dbraw/zinc/55/74/97/1038557497.db2.gz WZCOUSPEWDTJAV-FPLPWBNLSA-N 1 2 301.349 4.020 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(F)c(C)c(Br)c1 ZINC001140553474 1038584963 /nfs/dbraw/zinc/58/49/63/1038584963.db2.gz ABIXNWQKSYPVOU-UHFFFAOYSA-N 1 2 313.214 4.022 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(F)c(C)c(Br)c1 ZINC001140553474 1038584971 /nfs/dbraw/zinc/58/49/71/1038584971.db2.gz ABIXNWQKSYPVOU-UHFFFAOYSA-N 1 2 313.214 4.022 20 30 DIEDLO CC(C)(C)c1ccc(CC[N@H+](CCC#N)Cc2ccccn2)cc1 ZINC000582153700 1038601425 /nfs/dbraw/zinc/60/14/25/1038601425.db2.gz GZKCQGINGVRZKH-UHFFFAOYSA-N 1 2 321.468 4.337 20 30 DIEDLO CC(C)(C)c1ccc(CC[N@@H+](CCC#N)Cc2ccccn2)cc1 ZINC000582153700 1038601432 /nfs/dbraw/zinc/60/14/32/1038601432.db2.gz GZKCQGINGVRZKH-UHFFFAOYSA-N 1 2 321.468 4.337 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143441721 1038607213 /nfs/dbraw/zinc/60/72/13/1038607213.db2.gz BADFCARGAMFNOW-UHFFFAOYSA-N 1 2 318.314 4.240 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143441721 1038607216 /nfs/dbraw/zinc/60/72/16/1038607216.db2.gz BADFCARGAMFNOW-UHFFFAOYSA-N 1 2 318.314 4.240 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1 ZINC000127490259 1038643905 /nfs/dbraw/zinc/64/39/05/1038643905.db2.gz UAAUIHSKXHSFLQ-ZIAGYGMSSA-N 1 2 318.380 4.020 20 30 DIEDLO N#Cc1cc(C[NH+]2CC3(C2)CCCCC3)ccc1Br ZINC001232899038 1038986553 /nfs/dbraw/zinc/98/65/53/1038986553.db2.gz KCZOZAQJWVVQJR-UHFFFAOYSA-N 1 2 319.246 4.087 20 30 DIEDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(F)cc2C#N)s1 ZINC000122101750 1039022002 /nfs/dbraw/zinc/02/20/02/1039022002.db2.gz SXIZNVAJNJHATE-LBPRGKRZSA-N 1 2 317.433 4.218 20 30 DIEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(F)cc2C#N)s1 ZINC000122101750 1039022024 /nfs/dbraw/zinc/02/20/24/1039022024.db2.gz SXIZNVAJNJHATE-LBPRGKRZSA-N 1 2 317.433 4.218 20 30 DIEDLO CC(C)Oc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255566995 1039117805 /nfs/dbraw/zinc/11/78/05/1039117805.db2.gz INQZXQGDOAICLZ-FLIBITNWSA-N 1 2 306.365 4.018 20 30 DIEDLO Cc1cccc(CCCNc2ccc(C(F)(F)F)cc2C#N)[nH+]1 ZINC000343227775 1039325809 /nfs/dbraw/zinc/32/58/09/1039325809.db2.gz OODATYIEXRYDCS-UHFFFAOYSA-N 1 2 319.330 4.325 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1ccncc1Cl)c1ccc(F)c(F)c1 ZINC000187788514 1039739519 /nfs/dbraw/zinc/73/95/19/1039739519.db2.gz FXBKAKRLCZMVAL-INIZCTEOSA-N 1 2 308.759 4.420 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(Cl)c1 ZINC000162235416 1039947179 /nfs/dbraw/zinc/94/71/79/1039947179.db2.gz JCYAHVGOBITERT-UHFFFAOYSA-N 1 2 301.777 4.030 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(Cl)cc1C#N ZINC000480512383 1039987177 /nfs/dbraw/zinc/98/71/77/1039987177.db2.gz FRMHVLDLKRLNSS-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(Cl)cc1C#N ZINC000480512383 1039987189 /nfs/dbraw/zinc/98/71/89/1039987189.db2.gz FRMHVLDLKRLNSS-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=CCCC1(C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CCCC1 ZINC000658098686 1040302228 /nfs/dbraw/zinc/30/22/28/1040302228.db2.gz PKDRBZIJLWBEJO-OAHLLOKOSA-N 1 2 316.474 4.072 20 30 DIEDLO C[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1cccc(Br)c1 ZINC000612406426 1040582389 /nfs/dbraw/zinc/58/23/89/1040582389.db2.gz LZJJINIFVHYDGF-CJNGLKHVSA-N 1 2 321.262 4.178 20 30 DIEDLO C[C@H](C[N@H+]1CCC[C@@](C)(C#N)C1)c1cccc(Br)c1 ZINC000612406426 1040582407 /nfs/dbraw/zinc/58/24/07/1040582407.db2.gz LZJJINIFVHYDGF-CJNGLKHVSA-N 1 2 321.262 4.178 20 30 DIEDLO CC(C)(C#N)C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000612585361 1040646848 /nfs/dbraw/zinc/64/68/48/1040646848.db2.gz ZYMVUTHBUUKSBC-UHFFFAOYSA-N 1 2 306.837 4.301 20 30 DIEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCc1ccccc1 ZINC000170806771 1041045383 /nfs/dbraw/zinc/04/53/83/1041045383.db2.gz XKZNEEVMOWWIIS-INIZCTEOSA-N 1 2 324.424 4.008 20 30 DIEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCc1ccccc1 ZINC000170806771 1041045398 /nfs/dbraw/zinc/04/53/98/1041045398.db2.gz XKZNEEVMOWWIIS-INIZCTEOSA-N 1 2 324.424 4.008 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(F)ccc1C)c1ccc(Cl)cc1F ZINC000809698473 1041216536 /nfs/dbraw/zinc/21/65/36/1041216536.db2.gz DOYQLDBLLYRRRG-QGZVFWFLSA-N 1 2 305.755 4.391 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(Cl)cc1F ZINC000809699568 1041217325 /nfs/dbraw/zinc/21/73/25/1041217325.db2.gz QJLAINWMOQGAFN-GOSISDBHSA-N 1 2 324.786 4.491 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc(COC)cc1)c1ccc(Cl)cc1F ZINC000809699342 1041219936 /nfs/dbraw/zinc/21/99/36/1041219936.db2.gz QMTDEWMXVVDXKW-GOSISDBHSA-N 1 2 317.791 4.090 20 30 DIEDLO C[C@H](Nc1ccc(F)c(-n2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC001167709546 1041305311 /nfs/dbraw/zinc/30/53/11/1041305311.db2.gz QRLOSAHTFXYIJI-ZDUSSCGKSA-N 1 2 306.344 4.056 20 30 DIEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000811699043 1041561908 /nfs/dbraw/zinc/56/19/08/1041561908.db2.gz XPOFCKVRTXVSRM-CMDGGOBGSA-N 1 2 310.303 4.251 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc2cccc(OC)c2o1)c1ccc(F)cc1 ZINC000812794708 1041650917 /nfs/dbraw/zinc/65/09/17/1041650917.db2.gz CCMIFLHJTXTOBS-QGZVFWFLSA-N 1 2 309.340 4.045 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)s1)c1ccc(F)cc1 ZINC000812794280 1041651130 /nfs/dbraw/zinc/65/11/30/1041651130.db2.gz XPOPZVTXSJJYIZ-GOSISDBHSA-N 1 2 322.408 4.413 20 30 DIEDLO N#CC1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CCC1 ZINC000418144325 1041729584 /nfs/dbraw/zinc/72/95/84/1041729584.db2.gz SRRWCPGUYUVMGM-UHFFFAOYSA-N 1 2 323.421 4.340 20 30 DIEDLO CCC(=[NH+]Nc1nc2ccccc2cc1C)c1cccc(N)c1 ZINC000814896193 1041884462 /nfs/dbraw/zinc/88/44/62/1041884462.db2.gz NTOJXKVOZUGELB-UHFFFAOYSA-N 1 2 304.397 4.352 20 30 DIEDLO CCCCCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000816602487 1042071975 /nfs/dbraw/zinc/07/19/75/1042071975.db2.gz ZTJWJBIFFHEOFH-QAQDUYKDSA-N 1 2 317.477 4.281 20 30 DIEDLO CC[N@H+](Cc1ncc(C(C)(C)C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000125754244 1042100371 /nfs/dbraw/zinc/10/03/71/1042100371.db2.gz NAQRCWSHHFOYTI-CQSZACIVSA-N 1 2 311.429 4.427 20 30 DIEDLO CC[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000125754244 1042100375 /nfs/dbraw/zinc/10/03/75/1042100375.db2.gz NAQRCWSHHFOYTI-CQSZACIVSA-N 1 2 311.429 4.427 20 30 DIEDLO CC(C)n1c[nH+]cc1CNc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000818215185 1042143181 /nfs/dbraw/zinc/14/31/81/1042143181.db2.gz BGMHVSFKIUEMMW-UHFFFAOYSA-N 1 2 312.417 4.125 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1C#N ZINC001139692295 1042274243 /nfs/dbraw/zinc/27/42/43/1042274243.db2.gz VOBYBVZLABCUEJ-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1C#N ZINC001139692295 1042274246 /nfs/dbraw/zinc/27/42/46/1042274246.db2.gz VOBYBVZLABCUEJ-CYBMUJFWSA-N 1 2 314.816 4.413 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(CC)s1 ZINC000348879125 1042308175 /nfs/dbraw/zinc/30/81/75/1042308175.db2.gz SCWCLWSQWFSWEP-UHFFFAOYSA-N 1 2 318.490 4.061 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(CC)s1 ZINC000348879125 1042308180 /nfs/dbraw/zinc/30/81/80/1042308180.db2.gz SCWCLWSQWFSWEP-UHFFFAOYSA-N 1 2 318.490 4.061 20 30 DIEDLO C=CCCCC[C@@H](C)[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC000823501691 1042330495 /nfs/dbraw/zinc/33/04/95/1042330495.db2.gz QXGSGNBBXMAFCE-MRXNPFEDSA-N 1 2 302.462 4.195 20 30 DIEDLO C=CCCCC[C@@H](C)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000823501691 1042330502 /nfs/dbraw/zinc/33/05/02/1042330502.db2.gz QXGSGNBBXMAFCE-MRXNPFEDSA-N 1 2 302.462 4.195 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356188789 1042357314 /nfs/dbraw/zinc/35/73/14/1042357314.db2.gz FNKCGCMEYUBGHI-UHFFFAOYSA-N 1 2 314.351 4.173 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356188789 1042357319 /nfs/dbraw/zinc/35/73/19/1042357319.db2.gz FNKCGCMEYUBGHI-UHFFFAOYSA-N 1 2 314.351 4.173 20 30 DIEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000893976942 1042399851 /nfs/dbraw/zinc/39/98/51/1042399851.db2.gz UZMWFPKOIUCKTJ-CHWSQXEVSA-N 1 2 304.438 4.096 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OCCCc2ccccc2)c1 ZINC000513729128 1042613111 /nfs/dbraw/zinc/61/31/11/1042613111.db2.gz NIXYCVYLZIGGPD-SFHVURJKSA-N 1 2 322.452 4.432 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OCCCc2ccccc2)c1 ZINC000513729128 1042613113 /nfs/dbraw/zinc/61/31/13/1042613113.db2.gz NIXYCVYLZIGGPD-SFHVURJKSA-N 1 2 322.452 4.432 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000513737161 1042622915 /nfs/dbraw/zinc/62/29/15/1042622915.db2.gz WAAPKTCTRCDVMB-CYBMUJFWSA-N 1 2 316.351 4.491 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000513737161 1042622918 /nfs/dbraw/zinc/62/29/18/1042622918.db2.gz WAAPKTCTRCDVMB-CYBMUJFWSA-N 1 2 316.351 4.491 20 30 DIEDLO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ncccc1Cl ZINC000924980330 1042770250 /nfs/dbraw/zinc/77/02/50/1042770250.db2.gz PWYNJHVJLOPITP-MRXNPFEDSA-N 1 2 317.795 4.377 20 30 DIEDLO CSCc1cnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425364737 1042797539 /nfs/dbraw/zinc/79/75/39/1042797539.db2.gz HKXFZUKYONUSQX-LBPRGKRZSA-N 1 2 317.483 4.071 20 30 DIEDLO CSCc1cnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425364737 1042797545 /nfs/dbraw/zinc/79/75/45/1042797545.db2.gz HKXFZUKYONUSQX-LBPRGKRZSA-N 1 2 317.483 4.071 20 30 DIEDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ccccc1C#N ZINC000048579516 1042915802 /nfs/dbraw/zinc/91/58/02/1042915802.db2.gz JYCXNAISSNCQOE-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ccccc1C#N ZINC000048579516 1042915805 /nfs/dbraw/zinc/91/58/05/1042915805.db2.gz JYCXNAISSNCQOE-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328991932 1043084543 /nfs/dbraw/zinc/08/45/43/1043084543.db2.gz SPNRHFOMTAQSKY-KBPBESRZSA-N 1 2 323.396 4.218 20 30 DIEDLO CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331331986 1043116133 /nfs/dbraw/zinc/11/61/33/1043116133.db2.gz OXTVILXLHSVIGX-HUUCEWRRSA-N 1 2 321.490 4.397 20 30 DIEDLO CC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1nc(C)cs1 ZINC000331341730 1043116168 /nfs/dbraw/zinc/11/61/68/1043116168.db2.gz STDJWVACUFBNLE-CYBMUJFWSA-N 1 2 318.446 4.249 20 30 DIEDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866221996 1043162036 /nfs/dbraw/zinc/16/20/36/1043162036.db2.gz XFQPQNHJOBMDMB-KBPBESRZSA-N 1 2 310.397 4.074 20 30 DIEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1OC ZINC000866228843 1043162300 /nfs/dbraw/zinc/16/23/00/1043162300.db2.gz LELHYJSHSMDPJO-DYVFJYSZSA-N 1 2 310.397 4.074 20 30 DIEDLO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866249832 1043165270 /nfs/dbraw/zinc/16/52/70/1043165270.db2.gz ONXHOUHQSWCDRB-KGLIPLIRSA-N 1 2 310.397 4.074 20 30 DIEDLO CSc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866281651 1043173883 /nfs/dbraw/zinc/17/38/83/1043173883.db2.gz BTBSDTYGOILWDR-ZDUSSCGKSA-N 1 2 312.438 4.145 20 30 DIEDLO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866293448 1043175683 /nfs/dbraw/zinc/17/56/83/1043175683.db2.gz OTRPKIALXNPASF-FZKQIMNGSA-N 1 2 322.408 4.001 20 30 DIEDLO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866346081 1043184890 /nfs/dbraw/zinc/18/48/90/1043184890.db2.gz HHMHRBDXDDSEMG-QWRGUYRKSA-N 1 2 300.324 4.036 20 30 DIEDLO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866351164 1043186035 /nfs/dbraw/zinc/18/60/35/1043186035.db2.gz NLHKDRFYYYSUKY-XIKOKIGWSA-N 1 2 310.372 4.131 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)CCCO2 ZINC000866392930 1043196574 /nfs/dbraw/zinc/19/65/74/1043196574.db2.gz IDZOOSARMHRKOC-ZIAGYGMSSA-N 1 2 322.408 4.001 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1nccnc1C)c1ccc(F)c(F)c1 ZINC000188485877 1043255471 /nfs/dbraw/zinc/25/54/71/1043255471.db2.gz BSVMHSDCYPVOKH-BLLLJJGKSA-N 1 2 303.356 4.031 20 30 DIEDLO Cc1cc2c(cc1C)C(=O)/C(=C\c1cccc3[nH+]ccn31)CS2 ZINC000777471324 1043261495 /nfs/dbraw/zinc/26/14/95/1043261495.db2.gz RSAQTDNZXRNAHC-UVTDQMKNSA-N 1 2 320.417 4.323 20 30 DIEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000268202447 1043315198 /nfs/dbraw/zinc/31/51/98/1043315198.db2.gz XUCUMMYDPJUXFP-JTQLQIEISA-N 1 2 324.211 4.060 20 30 DIEDLO C#CC[N@H+](CC)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000268202447 1043315208 /nfs/dbraw/zinc/31/52/08/1043315208.db2.gz XUCUMMYDPJUXFP-JTQLQIEISA-N 1 2 324.211 4.060 20 30 DIEDLO Cc1ccccc1C[N@H+](Cc1ccc(C#N)o1)Cc1cccnc1 ZINC000349063601 1043488249 /nfs/dbraw/zinc/48/82/49/1043488249.db2.gz QVMJQJCNBKBPDG-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Cc1ccccc1C[N@@H+](Cc1ccc(C#N)o1)Cc1cccnc1 ZINC000349063601 1043488262 /nfs/dbraw/zinc/48/82/62/1043488262.db2.gz QVMJQJCNBKBPDG-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO C[C@H](CC(C)(C)C#N)[NH2+]c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000926073380 1043519107 /nfs/dbraw/zinc/51/91/07/1043519107.db2.gz LHTPEQBKJNTLEY-BZUAXINKSA-N 1 2 315.461 4.040 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cccc(OCc2ccccc2F)c1 ZINC000349861033 1043528789 /nfs/dbraw/zinc/52/87/89/1043528789.db2.gz MOHRXYOUMGASAI-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cccc(OCc2ccccc2F)c1 ZINC000349861033 1043528794 /nfs/dbraw/zinc/52/87/94/1043528794.db2.gz MOHRXYOUMGASAI-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000349871845 1043529486 /nfs/dbraw/zinc/52/94/86/1043529486.db2.gz HFKRCEVOBJPDHH-UHFFFAOYSA-N 1 2 324.268 4.460 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000349871845 1043529493 /nfs/dbraw/zinc/52/94/93/1043529493.db2.gz HFKRCEVOBJPDHH-UHFFFAOYSA-N 1 2 324.268 4.460 20 30 DIEDLO CC[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cccc(C#N)c1O ZINC000926581154 1043602148 /nfs/dbraw/zinc/60/21/48/1043602148.db2.gz HXXIJEUNYDJEDN-SFHVURJKSA-N 1 2 323.440 4.197 20 30 DIEDLO CC[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cccc(C#N)c1O ZINC000926581153 1043602943 /nfs/dbraw/zinc/60/29/43/1043602943.db2.gz HXXIJEUNYDJEDN-GOSISDBHSA-N 1 2 323.440 4.197 20 30 DIEDLO N#CCC[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)CC1CC1 ZINC000353404844 1043604299 /nfs/dbraw/zinc/60/42/99/1043604299.db2.gz QQOWIHNOIPPIHU-UHFFFAOYSA-N 1 2 316.351 4.350 20 30 DIEDLO N#CCC[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)CC1CC1 ZINC000353404844 1043604306 /nfs/dbraw/zinc/60/43/06/1043604306.db2.gz QQOWIHNOIPPIHU-UHFFFAOYSA-N 1 2 316.351 4.350 20 30 DIEDLO Cc1ccc([C@@H]([NH2+]CC2(C#N)CCCC2)c2cccnc2)cc1 ZINC000926881612 1043648559 /nfs/dbraw/zinc/64/85/59/1043648559.db2.gz WWZUFUBCAMWEPW-LJQANCHMSA-N 1 2 305.425 4.153 20 30 DIEDLO Cc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)ccc1[NH+](C)C ZINC000777643260 1043726212 /nfs/dbraw/zinc/72/62/12/1043726212.db2.gz LWNQWFFSXWJJTN-LJQANCHMSA-N 1 2 305.425 4.422 20 30 DIEDLO CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cc(F)ccc1F ZINC000877054966 1043739515 /nfs/dbraw/zinc/73/95/15/1043739515.db2.gz MDEVTZZALDAHIP-OAHLLOKOSA-N 1 2 321.758 4.126 20 30 DIEDLO C=CCC[C@@H]([NH2+]c1ccc(N2CCSCC2)cc1)C1CC1 ZINC000777688438 1043743081 /nfs/dbraw/zinc/74/30/81/1043743081.db2.gz CTAUZCCZCQXMOO-GOSISDBHSA-N 1 2 302.487 4.397 20 30 DIEDLO CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(C#N)cs2)o1 ZINC000356127529 1043813259 /nfs/dbraw/zinc/81/32/59/1043813259.db2.gz WGQVFMWLSRZBIH-OAHLLOKOSA-N 1 2 315.442 4.287 20 30 DIEDLO CCc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(C#N)cs2)o1 ZINC000356127529 1043813280 /nfs/dbraw/zinc/81/32/80/1043813280.db2.gz WGQVFMWLSRZBIH-OAHLLOKOSA-N 1 2 315.442 4.287 20 30 DIEDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCCC2(C#N)CCC2)o1 ZINC000929676638 1043832717 /nfs/dbraw/zinc/83/27/17/1043832717.db2.gz UMGFGVJDMKGTAH-KRWDZBQOSA-N 1 2 316.445 4.079 20 30 DIEDLO CCc1ccc([C@@H]2COCC[N@H+]2CCCCC2(C#N)CCC2)o1 ZINC000929676638 1043832729 /nfs/dbraw/zinc/83/27/29/1043832729.db2.gz UMGFGVJDMKGTAH-KRWDZBQOSA-N 1 2 316.445 4.079 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCCc3occc3C2)c(C(F)(F)F)c1 ZINC000356331571 1043833862 /nfs/dbraw/zinc/83/38/62/1043833862.db2.gz FABSUOKJQJRFRP-UHFFFAOYSA-N 1 2 320.314 4.118 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCCc3occc3C2)c(C(F)(F)F)c1 ZINC000356331571 1043833878 /nfs/dbraw/zinc/83/38/78/1043833878.db2.gz FABSUOKJQJRFRP-UHFFFAOYSA-N 1 2 320.314 4.118 20 30 DIEDLO CC[N@H+](Cc1nc2c(o1)CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000877991285 1043836826 /nfs/dbraw/zinc/83/68/26/1043836826.db2.gz OJQPWFSXKKQHBB-AWEZNQCLSA-N 1 2 309.413 4.008 20 30 DIEDLO CC[N@@H+](Cc1nc2c(o1)CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000877991285 1043836845 /nfs/dbraw/zinc/83/68/45/1043836845.db2.gz OJQPWFSXKKQHBB-AWEZNQCLSA-N 1 2 309.413 4.008 20 30 DIEDLO N#CCC[N@@H+](CCCc1ccc(Cl)cc1)Cc1ccco1 ZINC000357930810 1043999708 /nfs/dbraw/zinc/99/97/08/1043999708.db2.gz VGFCDLAPMBBTJA-UHFFFAOYSA-N 1 2 302.805 4.281 20 30 DIEDLO N#CCC[N@H+](CCCc1ccc(Cl)cc1)Cc1ccco1 ZINC000357930810 1043999715 /nfs/dbraw/zinc/99/97/15/1043999715.db2.gz VGFCDLAPMBBTJA-UHFFFAOYSA-N 1 2 302.805 4.281 20 30 DIEDLO C=CCCC[C@H]([NH2+]Cc1nnc(OCC)s1)c1ccccc1 ZINC000880388546 1044036261 /nfs/dbraw/zinc/03/62/61/1044036261.db2.gz LXEUBFOXZVTPIQ-HNNXBMFYSA-N 1 2 317.458 4.124 20 30 DIEDLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000562358055 1044106145 /nfs/dbraw/zinc/10/61/45/1044106145.db2.gz VAKMIFNWGVTRAK-AWEZNQCLSA-N 1 2 312.388 4.335 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1ccc(C#N)cc1F ZINC000346870418 1044167211 /nfs/dbraw/zinc/16/72/11/1044167211.db2.gz UTWBMMFCGICCCE-MNOVXSKESA-N 1 2 315.417 4.054 20 30 DIEDLO Cc1c(F)cccc1-c1ccc(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000563322176 1044248102 /nfs/dbraw/zinc/24/81/02/1044248102.db2.gz XEFBJYUPWVTJAZ-UHFFFAOYSA-N 1 2 300.377 4.376 20 30 DIEDLO Cc1c(F)cccc1-c1ccc(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000563322176 1044248117 /nfs/dbraw/zinc/24/81/17/1044248117.db2.gz XEFBJYUPWVTJAZ-UHFFFAOYSA-N 1 2 300.377 4.376 20 30 DIEDLO C#CC[N@@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCc2ccccc21 ZINC001137891261 1044301163 /nfs/dbraw/zinc/30/11/63/1044301163.db2.gz GWTYGUISZYTUOO-LJQANCHMSA-N 1 2 315.338 4.227 20 30 DIEDLO C#CC[N@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCc2ccccc21 ZINC001137891261 1044301171 /nfs/dbraw/zinc/30/11/71/1044301171.db2.gz GWTYGUISZYTUOO-LJQANCHMSA-N 1 2 315.338 4.227 20 30 DIEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000361052973 1044354144 /nfs/dbraw/zinc/35/41/44/1044354144.db2.gz KGKXFFXYEYZZGE-QGZVFWFLSA-N 1 2 314.454 4.353 20 30 DIEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000361052973 1044354158 /nfs/dbraw/zinc/35/41/58/1044354158.db2.gz KGKXFFXYEYZZGE-QGZVFWFLSA-N 1 2 314.454 4.353 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(C(F)(F)F)cc1 ZINC000133179826 1044360246 /nfs/dbraw/zinc/36/02/46/1044360246.db2.gz BJGWAKDPPFPNMO-CMDGGOBGSA-N 1 2 316.282 4.249 20 30 DIEDLO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000186330754 1044380368 /nfs/dbraw/zinc/38/03/68/1044380368.db2.gz YWIVBBGFRSJZPU-AWEZNQCLSA-N 1 2 324.428 4.148 20 30 DIEDLO Cn1cc(C[NH+]2Cc3ccccc3-c3ccccc3C2)cc1C#N ZINC000361567270 1044420606 /nfs/dbraw/zinc/42/06/06/1044420606.db2.gz UBVXERBMKQMNGS-UHFFFAOYSA-N 1 2 313.404 4.080 20 30 DIEDLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)nc2ccccc12 ZINC000566790873 1044516792 /nfs/dbraw/zinc/51/67/92/1044516792.db2.gz YJFMLCHUBRQBPH-OAHLLOKOSA-N 1 2 316.408 4.003 20 30 DIEDLO Cc1nc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)nc2ccccc12 ZINC000566790873 1044516807 /nfs/dbraw/zinc/51/68/07/1044516807.db2.gz YJFMLCHUBRQBPH-OAHLLOKOSA-N 1 2 316.408 4.003 20 30 DIEDLO N#CCc1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000566973078 1044531920 /nfs/dbraw/zinc/53/19/20/1044531920.db2.gz OUYCXEPHGHRTMZ-GOSISDBHSA-N 1 2 314.379 4.109 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(F)cc(Cl)c1 ZINC000362936668 1044566443 /nfs/dbraw/zinc/56/64/43/1044566443.db2.gz XGWISMIVNKDJTJ-UHFFFAOYSA-N 1 2 319.767 4.169 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1cc(Cl)ccc1F ZINC000444689124 1044602807 /nfs/dbraw/zinc/60/28/07/1044602807.db2.gz FGNSBGQTLPZQJD-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1cc(Cl)ccc1F ZINC000444689124 1044602812 /nfs/dbraw/zinc/60/28/12/1044602812.db2.gz FGNSBGQTLPZQJD-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000371784535 1044888744 /nfs/dbraw/zinc/88/87/44/1044888744.db2.gz AWOHNIMUKKUWGJ-FUHWJXTLSA-N 1 2 317.392 4.100 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000371784535 1044888763 /nfs/dbraw/zinc/88/87/63/1044888763.db2.gz AWOHNIMUKKUWGJ-FUHWJXTLSA-N 1 2 317.392 4.100 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(F)cccc1CC ZINC000575367946 1044998336 /nfs/dbraw/zinc/99/83/36/1044998336.db2.gz NWNAJMSXOTUVJC-UHFFFAOYSA-N 1 2 317.404 4.052 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(F)cccc1CC ZINC000575367946 1044998346 /nfs/dbraw/zinc/99/83/46/1044998346.db2.gz NWNAJMSXOTUVJC-UHFFFAOYSA-N 1 2 317.404 4.052 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000411486288 1045011513 /nfs/dbraw/zinc/01/15/13/1045011513.db2.gz CTQHMPRJTCSRBT-OAHLLOKOSA-N 1 2 323.396 4.121 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000411486288 1045011525 /nfs/dbraw/zinc/01/15/25/1045011525.db2.gz CTQHMPRJTCSRBT-OAHLLOKOSA-N 1 2 323.396 4.121 20 30 DIEDLO CC(C)(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1F ZINC000579043437 1045290961 /nfs/dbraw/zinc/29/09/61/1045290961.db2.gz NVXRLSNSWGAGAA-OAHLLOKOSA-N 1 2 321.396 4.170 20 30 DIEDLO C=CC[N@H+](Cc1ccnn1C1CCCC1)Cc1cccc(C#N)c1 ZINC000449016686 1045332980 /nfs/dbraw/zinc/33/29/80/1045332980.db2.gz FSPMEDAGVBEHJK-UHFFFAOYSA-N 1 2 320.440 4.058 20 30 DIEDLO C=CC[N@@H+](Cc1ccnn1C1CCCC1)Cc1cccc(C#N)c1 ZINC000449016686 1045332987 /nfs/dbraw/zinc/33/29/87/1045332987.db2.gz FSPMEDAGVBEHJK-UHFFFAOYSA-N 1 2 320.440 4.058 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)s1 ZINC000449737703 1045432960 /nfs/dbraw/zinc/43/29/60/1045432960.db2.gz ZRFUEABXAQFGFY-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)s1 ZINC000449737703 1045432965 /nfs/dbraw/zinc/43/29/65/1045432965.db2.gz ZRFUEABXAQFGFY-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO CC(C)Oc1cc(Cl)c(C[NH2+]C[C@@H](C)C#N)cc1Cl ZINC000529541865 1045491498 /nfs/dbraw/zinc/49/14/98/1045491498.db2.gz LZBLEVLKZMBPKU-JTQLQIEISA-N 1 2 301.217 4.030 20 30 DIEDLO CC[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1cccc(C#N)c1O ZINC001119631982 1045521080 /nfs/dbraw/zinc/52/10/80/1045521080.db2.gz JWQYZXINSXUGFD-INIZCTEOSA-N 1 2 316.351 4.442 20 30 DIEDLO N#Cc1cncc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC001119777841 1045525651 /nfs/dbraw/zinc/52/56/51/1045525651.db2.gz VYTLFQJYSSTIAM-UHFFFAOYSA-N 1 2 318.207 4.039 20 30 DIEDLO N#CCC[C@H](C#N)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC001120661269 1045540952 /nfs/dbraw/zinc/54/09/52/1045540952.db2.gz ODTNZJLKKYSTGT-DYVFJYSZSA-N 1 2 313.401 4.010 20 30 DIEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(F)c(Cl)cc1Cl ZINC000450666154 1045541215 /nfs/dbraw/zinc/54/12/15/1045541215.db2.gz XJLGLZSAHGGYSN-VIFPVBQESA-N 1 2 301.192 4.477 20 30 DIEDLO N#CC1(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CCC1 ZINC000450677579 1045542903 /nfs/dbraw/zinc/54/29/03/1045542903.db2.gz RLHAIEVLHIJTOH-CYBMUJFWSA-N 1 2 300.299 4.103 20 30 DIEDLO N#CC[C@@H]1CC[C@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000450675797 1045547994 /nfs/dbraw/zinc/54/79/94/1045547994.db2.gz VCFYTBZYYDWYMC-FZMZJTMJSA-N 1 2 319.330 4.748 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(F)c(F)c1 ZINC000628240729 1045552946 /nfs/dbraw/zinc/55/29/46/1045552946.db2.gz QJJMXEPGKUMXHD-INIZCTEOSA-N 1 2 304.340 4.237 20 30 DIEDLO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451021348 1045607111 /nfs/dbraw/zinc/60/71/11/1045607111.db2.gz PJPKJKSSOXIGDO-HNNXBMFYSA-N 1 2 316.836 4.293 20 30 DIEDLO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451021348 1045607117 /nfs/dbraw/zinc/60/71/17/1045607117.db2.gz PJPKJKSSOXIGDO-HNNXBMFYSA-N 1 2 316.836 4.293 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3\C[C@@H](C)c4ccccc4C3=O)n2c1 ZINC000751535963 1045612075 /nfs/dbraw/zinc/61/20/75/1045612075.db2.gz NTBJFGAQSMPWNT-MFYHJKBNSA-N 1 2 302.377 4.416 20 30 DIEDLO CCCCCCCC[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000190817395 1045614297 /nfs/dbraw/zinc/61/42/97/1045614297.db2.gz IEVNCHGELDKYQH-OAQYLSRUSA-N 1 2 306.475 4.252 20 30 DIEDLO C[N@@H+]1CCC(=O)C[C@H]1c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 ZINC000629713094 1045700843 /nfs/dbraw/zinc/70/08/43/1045700843.db2.gz FTCCCPIBMAFAJJ-IBGZPJMESA-N 1 2 324.811 4.214 20 30 DIEDLO C[N@H+]1CCC(=O)C[C@H]1c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 ZINC000629713094 1045700850 /nfs/dbraw/zinc/70/08/50/1045700850.db2.gz FTCCCPIBMAFAJJ-IBGZPJMESA-N 1 2 324.811 4.214 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1/C(=O)c2ccsc2S[C@H]1C ZINC000901477596 1045743153 /nfs/dbraw/zinc/74/31/53/1045743153.db2.gz PINMHXWCQDYWRF-FYTLYHSASA-N 1 2 304.440 4.286 20 30 DIEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191778671 1045749399 /nfs/dbraw/zinc/74/93/99/1045749399.db2.gz MJOQZKCHQPNSRP-NSHDSACASA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191778671 1045749413 /nfs/dbraw/zinc/74/94/13/1045749413.db2.gz MJOQZKCHQPNSRP-NSHDSACASA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000753586074 1045768259 /nfs/dbraw/zinc/76/82/59/1045768259.db2.gz FXLWLUDKYAKODJ-CQSZACIVSA-N 1 2 314.376 4.424 20 30 DIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000753586074 1045768268 /nfs/dbraw/zinc/76/82/68/1045768268.db2.gz FXLWLUDKYAKODJ-CQSZACIVSA-N 1 2 314.376 4.424 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccnc(N(C)C)c1 ZINC000753994564 1045830065 /nfs/dbraw/zinc/83/00/65/1045830065.db2.gz JFFQLCPLWWJENH-UHFFFAOYSA-N 1 2 321.877 4.051 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccnc(N(C)C)c1 ZINC000753994564 1045830086 /nfs/dbraw/zinc/83/00/86/1045830086.db2.gz JFFQLCPLWWJENH-UHFFFAOYSA-N 1 2 321.877 4.051 20 30 DIEDLO N#Cc1cccc(CNc2[nH+]c3ccccc3n2C2CCCC2)n1 ZINC000902036178 1045891620 /nfs/dbraw/zinc/89/16/20/1045891620.db2.gz GHUPIRLUCGCANM-UHFFFAOYSA-N 1 2 317.396 4.030 20 30 DIEDLO Cc1cc(N)cc(C)c1C=[NH+]Oc1ccccc1C(F)(F)F ZINC000754712295 1045916317 /nfs/dbraw/zinc/91/63/17/1045916317.db2.gz KJNISEPDKQIOHQ-UHFFFAOYSA-N 1 2 308.303 4.317 20 30 DIEDLO Fc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC001137864837 1045990724 /nfs/dbraw/zinc/99/07/24/1045990724.db2.gz OEDMLFXIAPUCFG-SECBINFHSA-N 1 2 315.232 4.229 20 30 DIEDLO Fc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC001137864837 1045990745 /nfs/dbraw/zinc/99/07/45/1045990745.db2.gz OEDMLFXIAPUCFG-SECBINFHSA-N 1 2 315.232 4.229 20 30 DIEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)c(Cl)ccc2C(F)(F)F)C1 ZINC001137984222 1046044947 /nfs/dbraw/zinc/04/49/47/1046044947.db2.gz GDOVKLXKJXZBLC-JTQLQIEISA-N 1 2 319.729 4.343 20 30 DIEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)c(Cl)ccc2C(F)(F)F)C1 ZINC001137984222 1046044962 /nfs/dbraw/zinc/04/49/62/1046044962.db2.gz GDOVKLXKJXZBLC-JTQLQIEISA-N 1 2 319.729 4.343 20 30 DIEDLO Cc1ccc2[nH+]c(C)cc(OCCCC3(C#N)CCOCC3)c2c1 ZINC000902692912 1046046529 /nfs/dbraw/zinc/04/65/29/1046046529.db2.gz GSLNQWIONMVOKZ-UHFFFAOYSA-N 1 2 324.424 4.331 20 30 DIEDLO N#CC1(CCCCn2nc(C(F)(F)F)c3c[nH+]ccc32)CCC1 ZINC000902721934 1046049515 /nfs/dbraw/zinc/04/95/15/1046049515.db2.gz MHINQLQYLKSPOT-UHFFFAOYSA-N 1 2 322.334 4.314 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(F)ccc1C(F)(F)F ZINC001138092624 1046091261 /nfs/dbraw/zinc/09/12/61/1046091261.db2.gz QCKPWBCFNIVMRD-UHFFFAOYSA-N 1 2 302.315 4.360 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)ccc1C(F)(F)F ZINC001138092624 1046091269 /nfs/dbraw/zinc/09/12/69/1046091269.db2.gz QCKPWBCFNIVMRD-UHFFFAOYSA-N 1 2 302.315 4.360 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000194392431 1046098410 /nfs/dbraw/zinc/09/84/10/1046098410.db2.gz WHWQWWIYDQSWBW-SFHVURJKSA-N 1 2 316.408 4.211 20 30 DIEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756769400 1046130141 /nfs/dbraw/zinc/13/01/41/1046130141.db2.gz QBUTZPGUMNPZSV-SJKOYZFVSA-N 1 2 316.351 4.366 20 30 DIEDLO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001168154653 1046195068 /nfs/dbraw/zinc/19/50/68/1046195068.db2.gz ASZMFQQNAQWWRN-NNGSBXSVSA-N 1 2 302.849 4.477 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1c(C)nn(Cc2ccccc2)c1C ZINC001138504576 1046204178 /nfs/dbraw/zinc/20/41/78/1046204178.db2.gz HBVRSFWZXAVSQH-UHFFFAOYSA-N 1 2 324.472 4.064 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1c(C)nn(Cc2ccccc2)c1C ZINC001138504576 1046204193 /nfs/dbraw/zinc/20/41/93/1046204193.db2.gz HBVRSFWZXAVSQH-UHFFFAOYSA-N 1 2 324.472 4.064 20 30 DIEDLO C=CCCc1ccccc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635896942 1046209153 /nfs/dbraw/zinc/20/91/53/1046209153.db2.gz MBHFKLPLDJQBAK-SFHVURJKSA-N 1 2 311.429 4.228 20 30 DIEDLO CC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1cccc(C#N)c1 ZINC000903264749 1046212463 /nfs/dbraw/zinc/21/24/63/1046212463.db2.gz CJQZCPFZRCCFLI-JENIJYKNSA-N 1 2 310.372 4.071 20 30 DIEDLO O=C1c2cccc(Cl)c2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000758038113 1046242691 /nfs/dbraw/zinc/24/26/91/1046242691.db2.gz CHVSHBKASHOCOA-QXMHVHEDSA-N 1 2 308.768 4.200 20 30 DIEDLO CC(=[NH+]Nc1ccccc1C(F)(F)F)c1ccc(N)cc1C ZINC000758089460 1046244381 /nfs/dbraw/zinc/24/43/81/1046244381.db2.gz KBXSPIZAUKDIRZ-UHFFFAOYSA-N 1 2 307.319 4.432 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1cnc2[nH]ccc2c1Cl ZINC001138936674 1046330964 /nfs/dbraw/zinc/33/09/64/1046330964.db2.gz RWJMGLRPMKNHRZ-UHFFFAOYSA-N 1 2 311.816 4.356 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cnc2[nH]ccc2c1Cl ZINC001138936674 1046330979 /nfs/dbraw/zinc/33/09/79/1046330979.db2.gz RWJMGLRPMKNHRZ-UHFFFAOYSA-N 1 2 311.816 4.356 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001139070297 1046378103 /nfs/dbraw/zinc/37/81/03/1046378103.db2.gz JSJABJUKEHVQOY-INIZCTEOSA-N 1 2 306.409 4.098 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001139070297 1046378121 /nfs/dbraw/zinc/37/81/21/1046378121.db2.gz JSJABJUKEHVQOY-INIZCTEOSA-N 1 2 306.409 4.098 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3\Cc4cc(Cl)ccc4C3=O)n21 ZINC000749004627 1046419514 /nfs/dbraw/zinc/41/95/14/1046419514.db2.gz FEKODFIMGKBPLA-UKTHLTGXSA-N 1 2 308.768 4.119 20 30 DIEDLO O=C1c2c3ccccc3[nH]c2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000781552570 1046455865 /nfs/dbraw/zinc/45/58/65/1046455865.db2.gz YIMTXVXFVQMRLP-ACCUITESSA-N 1 2 313.360 4.028 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1F ZINC001139530515 1046464899 /nfs/dbraw/zinc/46/48/99/1046464899.db2.gz NFCLSFQWEPYBEX-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1F ZINC001139530515 1046464903 /nfs/dbraw/zinc/46/49/03/1046464903.db2.gz NFCLSFQWEPYBEX-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO C[N@H+](Cc1cc(Br)cs1)Cc1ccccc1C#N ZINC000047751951 1046506613 /nfs/dbraw/zinc/50/66/13/1046506613.db2.gz XJOGSDXGXFCINI-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1cc(Br)cs1)Cc1ccccc1C#N ZINC000047751951 1046506625 /nfs/dbraw/zinc/50/66/25/1046506625.db2.gz XJOGSDXGXFCINI-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Cl)sc1Cl ZINC000783294735 1046575263 /nfs/dbraw/zinc/57/52/63/1046575263.db2.gz VHBBKKWMHSNPBF-MRVPVSSYSA-N 1 2 312.225 4.172 20 30 DIEDLO C=CCC[N@@H+](Cc1n[nH]c2ccc(OC)cc21)Cc1ccccc1 ZINC001140068199 1046581272 /nfs/dbraw/zinc/58/12/72/1046581272.db2.gz AZAMRAKKBXTCEX-UHFFFAOYSA-N 1 2 321.424 4.150 20 30 DIEDLO C=CCC[N@H+](Cc1n[nH]c2ccc(OC)cc21)Cc1ccccc1 ZINC001140068199 1046581285 /nfs/dbraw/zinc/58/12/85/1046581285.db2.gz AZAMRAKKBXTCEX-UHFFFAOYSA-N 1 2 321.424 4.150 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140096359 1046589801 /nfs/dbraw/zinc/58/98/01/1046589801.db2.gz RMXAOKWDJIGELZ-UHFFFAOYSA-N 1 2 303.406 4.075 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140096359 1046589810 /nfs/dbraw/zinc/58/98/10/1046589810.db2.gz RMXAOKWDJIGELZ-UHFFFAOYSA-N 1 2 303.406 4.075 20 30 DIEDLO CCCCCCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783493152 1046600172 /nfs/dbraw/zinc/60/01/72/1046600172.db2.gz QYVNHRFYDAVUMP-UHFFFAOYSA-N 1 2 319.493 4.262 20 30 DIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1F ZINC000783701097 1046623873 /nfs/dbraw/zinc/62/38/73/1046623873.db2.gz XHZWJIWEJKSFKC-RQOWECAXSA-N 1 2 316.332 4.108 20 30 DIEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1cc(-n3cc[nH+]c3)cs1)C2 ZINC000783706042 1046625532 /nfs/dbraw/zinc/62/55/32/1046625532.db2.gz GITLLMZESOMSJQ-RIYZIHGNSA-N 1 2 306.390 4.065 20 30 DIEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000533323451 1046696062 /nfs/dbraw/zinc/69/60/62/1046696062.db2.gz OXHSETNOBFRSGL-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000533323451 1046696064 /nfs/dbraw/zinc/69/60/64/1046696064.db2.gz OXHSETNOBFRSGL-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO Cc1cccc([C@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)n1 ZINC000533538556 1046749840 /nfs/dbraw/zinc/74/98/40/1046749840.db2.gz VJZNLSRNVUXICO-LJQANCHMSA-N 1 2 310.828 4.232 20 30 DIEDLO Cc1cccc([C@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)n1 ZINC000533538556 1046749853 /nfs/dbraw/zinc/74/98/53/1046749853.db2.gz VJZNLSRNVUXICO-LJQANCHMSA-N 1 2 310.828 4.232 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)cn1 ZINC001140544556 1046774007 /nfs/dbraw/zinc/77/40/07/1046774007.db2.gz TZDQLALMJBXXFD-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)cn1 ZINC001140544556 1046774020 /nfs/dbraw/zinc/77/40/20/1046774020.db2.gz TZDQLALMJBXXFD-ZDUSSCGKSA-N 1 2 303.818 4.005 20 30 DIEDLO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140602180 1046807075 /nfs/dbraw/zinc/80/70/75/1046807075.db2.gz FZZLMILTVIIMOA-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140602180 1046807095 /nfs/dbraw/zinc/80/70/95/1046807095.db2.gz FZZLMILTVIIMOA-ZDUSSCGKSA-N 1 2 314.816 4.413 20 30 DIEDLO C=CCC(C)(C)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000797253813 1046816899 /nfs/dbraw/zinc/81/68/99/1046816899.db2.gz TXBLAFWAQHTKGV-UHFFFAOYSA-N 1 2 324.424 4.394 20 30 DIEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1F ZINC001140751173 1046884277 /nfs/dbraw/zinc/88/42/77/1046884277.db2.gz MBYQXJOITCLECK-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1F ZINC001140751173 1046884297 /nfs/dbraw/zinc/88/42/97/1046884297.db2.gz MBYQXJOITCLECK-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO C#CCCCCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000798240191 1046940831 /nfs/dbraw/zinc/94/08/31/1046940831.db2.gz DSXWBUDRZBOQRF-UHFFFAOYSA-N 1 2 321.424 4.019 20 30 DIEDLO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000798936895 1046990196 /nfs/dbraw/zinc/99/01/96/1046990196.db2.gz MGKCWIDQFXVRQP-KOLCDFICSA-N 1 2 316.214 4.299 20 30 DIEDLO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000798936893 1046990356 /nfs/dbraw/zinc/99/03/56/1046990356.db2.gz MGKCWIDQFXVRQP-GXSJLCMTSA-N 1 2 316.214 4.299 20 30 DIEDLO C=CC[N@@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1 ZINC001141114171 1047017957 /nfs/dbraw/zinc/01/79/57/1047017957.db2.gz GPMGMYSZTROGJC-UHFFFAOYSA-N 1 2 317.845 4.044 20 30 DIEDLO C=CC[N@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1 ZINC001141114171 1047017968 /nfs/dbraw/zinc/01/79/68/1047017968.db2.gz GPMGMYSZTROGJC-UHFFFAOYSA-N 1 2 317.845 4.044 20 30 DIEDLO CN(Cc1ccccc1)c1ccc([NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000799724777 1047057728 /nfs/dbraw/zinc/05/77/28/1047057728.db2.gz RTDLQMVIYCTZFO-MJGOQNOKSA-N 1 2 305.425 4.427 20 30 DIEDLO CC(C)(C)n1c2ccccc2[nH+]c1NCc1cc(C#N)cs1 ZINC001116710077 1047169656 /nfs/dbraw/zinc/16/96/56/1047169656.db2.gz XSRYQXRAKPGMKF-UHFFFAOYSA-N 1 2 310.426 4.337 20 30 DIEDLO C=C(C)C[N@@H+](CC)Cc1c(F)cc(Br)cc1F ZINC001141561306 1047188820 /nfs/dbraw/zinc/18/88/20/1047188820.db2.gz AYSKZCIGCUFENF-UHFFFAOYSA-N 1 2 304.178 4.125 20 30 DIEDLO C=C(C)C[N@H+](CC)Cc1c(F)cc(Br)cc1F ZINC001141561306 1047188826 /nfs/dbraw/zinc/18/88/26/1047188826.db2.gz AYSKZCIGCUFENF-UHFFFAOYSA-N 1 2 304.178 4.125 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccnc(Cl)c1 ZINC000796453543 1047297940 /nfs/dbraw/zinc/29/79/40/1047297940.db2.gz JLPRCOFQMVMLJE-UHFFFAOYSA-N 1 2 318.852 4.091 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccnc(Cl)c1 ZINC000796453543 1047297946 /nfs/dbraw/zinc/29/79/46/1047297946.db2.gz JLPRCOFQMVMLJE-UHFFFAOYSA-N 1 2 318.852 4.091 20 30 DIEDLO COc1ccc([N@H+](CCCSCC#N)CCC(C)C)cc1 ZINC000796502778 1047356163 /nfs/dbraw/zinc/35/61/63/1047356163.db2.gz DTBMCNWFNPKYLL-UHFFFAOYSA-N 1 2 306.475 4.195 20 30 DIEDLO COc1ccc([N@@H+](CCCSCC#N)CCC(C)C)cc1 ZINC000796502778 1047356176 /nfs/dbraw/zinc/35/61/76/1047356176.db2.gz DTBMCNWFNPKYLL-UHFFFAOYSA-N 1 2 306.475 4.195 20 30 DIEDLO CCOc1cccc(/C=[NH+]/CCc2c(C)[nH]c3ccccc32)c1O ZINC000726889982 1047387730 /nfs/dbraw/zinc/38/77/30/1047387730.db2.gz ITHZBBMKXILCCZ-FYJGNVAPSA-N 1 2 322.408 4.242 20 30 DIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000749334260 1047410503 /nfs/dbraw/zinc/41/05/03/1047410503.db2.gz SLBDMRHCWZVXSC-MRXNPFEDSA-N 1 2 318.424 4.009 20 30 DIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000749334260 1047410506 /nfs/dbraw/zinc/41/05/06/1047410506.db2.gz SLBDMRHCWZVXSC-MRXNPFEDSA-N 1 2 318.424 4.009 20 30 DIEDLO N#Cc1ccc2c(C[N@H+]3Cc4ccc(Cl)cc4C3)c[nH]c2c1 ZINC001142922419 1047515029 /nfs/dbraw/zinc/51/50/29/1047515029.db2.gz HESFYJGGTCSPAH-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO N#Cc1ccc2c(C[N@@H+]3Cc4ccc(Cl)cc4C3)c[nH]c2c1 ZINC001142922419 1047515035 /nfs/dbraw/zinc/51/50/35/1047515035.db2.gz HESFYJGGTCSPAH-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000093091078 1047543118 /nfs/dbraw/zinc/54/31/18/1047543118.db2.gz SXMXETJOTPGBNE-HNNXBMFYSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000093091078 1047543124 /nfs/dbraw/zinc/54/31/24/1047543124.db2.gz SXMXETJOTPGBNE-HNNXBMFYSA-N 1 2 312.388 4.139 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001143288701 1047549560 /nfs/dbraw/zinc/54/95/60/1047549560.db2.gz UDNVTMSOWGZUJV-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001143288701 1047549564 /nfs/dbraw/zinc/54/95/64/1047549564.db2.gz UDNVTMSOWGZUJV-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001143288769 1047549670 /nfs/dbraw/zinc/54/96/70/1047549670.db2.gz WLONEEYGLNNOSL-UHFFFAOYSA-N 1 2 316.754 4.484 20 30 DIEDLO C=C[C@@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC000122772152 1047556499 /nfs/dbraw/zinc/55/64/99/1047556499.db2.gz MHUBYVQUFFGLPS-HNNXBMFYSA-N 1 2 317.392 4.375 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCC(C)(C)C#N ZINC000538465309 1047680429 /nfs/dbraw/zinc/68/04/29/1047680429.db2.gz SZXTZYQXMWMQHX-CJNGLKHVSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCC(C)(C)C#N ZINC000538465309 1047680430 /nfs/dbraw/zinc/68/04/30/1047680430.db2.gz SZXTZYQXMWMQHX-CJNGLKHVSA-N 1 2 306.837 4.042 20 30 DIEDLO C[C@@H](Nc1cc(CC#N)cc[nH+]1)c1ccc(Br)s1 ZINC001156103249 1047700269 /nfs/dbraw/zinc/70/02/69/1047700269.db2.gz KOOHEYVIXQMQMR-SECBINFHSA-N 1 2 322.231 4.145 20 30 DIEDLO CSc1cc[nH+]c(N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001156766203 1047721996 /nfs/dbraw/zinc/72/19/96/1047721996.db2.gz RWLJHIHRWNQESI-UHFFFAOYSA-N 1 2 309.438 4.059 20 30 DIEDLO CN(Cc1ccc2ccccc2c1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001156872300 1047725522 /nfs/dbraw/zinc/72/55/22/1047725522.db2.gz SCTJJBRFJLZCNH-UHFFFAOYSA-N 1 2 312.376 4.224 20 30 DIEDLO Cc1ccc(Nc2ccccc2-c2ccc(C#N)cn2)c(C)[nH+]1 ZINC001203380092 1047760426 /nfs/dbraw/zinc/76/04/26/1047760426.db2.gz HLHYEXQSQHJEDT-UHFFFAOYSA-N 1 2 300.365 4.376 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001182998735 1047872566 /nfs/dbraw/zinc/87/25/66/1047872566.db2.gz BJPGQWYHXGZFKA-LJQANCHMSA-N 1 2 310.372 4.354 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001182998735 1047872582 /nfs/dbraw/zinc/87/25/82/1047872582.db2.gz BJPGQWYHXGZFKA-LJQANCHMSA-N 1 2 310.372 4.354 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(F)c(F)c1 ZINC000479416021 1047888065 /nfs/dbraw/zinc/88/80/65/1047888065.db2.gz HCESHJUQGCTVOX-SFHVURJKSA-N 1 2 313.351 4.248 20 30 DIEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)C(=O)OCC ZINC001183312309 1047917052 /nfs/dbraw/zinc/91/70/52/1047917052.db2.gz HUSGZRICDASGPG-UYSNPLJNSA-N 1 2 313.869 4.009 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2cc(-c3cccc(Cl)c3)no2)c1 ZINC001159885331 1047941837 /nfs/dbraw/zinc/94/18/37/1047941837.db2.gz UDMRJTCJQGHEGR-UHFFFAOYSA-N 1 2 324.771 4.068 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC001160180506 1047989148 /nfs/dbraw/zinc/98/91/48/1047989148.db2.gz BMXCSOUKUFHHCW-GFCCVEGCSA-N 1 2 308.385 4.004 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1ccc(Cl)c(N)[nH+]1 ZINC001160183062 1047990880 /nfs/dbraw/zinc/99/08/80/1047990880.db2.gz UKIQISWWSOTZKH-LLVKDONJSA-N 1 2 303.793 4.055 20 30 DIEDLO CC(C)n1c2ccccc2[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC001184462285 1048043307 /nfs/dbraw/zinc/04/33/07/1048043307.db2.gz JZWMYQOECAWBBC-UHFFFAOYSA-N 1 2 308.360 4.240 20 30 DIEDLO Cc1cc(C)c(CNc2[nH+]ccc3ccc(C#N)cc32)c(O)c1 ZINC001160810911 1048085379 /nfs/dbraw/zinc/08/53/79/1048085379.db2.gz WAFBSVSTGZRVFF-UHFFFAOYSA-N 1 2 303.365 4.041 20 30 DIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc(F)ccc1Cl)C2 ZINC001175063523 1048091050 /nfs/dbraw/zinc/09/10/50/1048091050.db2.gz ZZHYPCHYPWJLRF-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(F)ccc1Cl)C2 ZINC001175063523 1048091062 /nfs/dbraw/zinc/09/10/62/1048091062.db2.gz ZZHYPCHYPWJLRF-UHFFFAOYSA-N 1 2 314.791 4.103 20 30 DIEDLO C=CC[NH+](CC=C)Cc1nc2ccc(Br)cc2s1 ZINC000774820527 1048129653 /nfs/dbraw/zinc/12/96/53/1048129653.db2.gz CKZJGBNALHPPAA-UHFFFAOYSA-N 1 2 323.259 4.233 20 30 DIEDLO N#Cc1ccc(C(F)(F)F)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213032797 1048130723 /nfs/dbraw/zinc/13/07/23/1048130723.db2.gz YEHYIMAUOFPYPZ-UHFFFAOYSA-N 1 2 302.259 4.197 20 30 DIEDLO C[C@@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1ccc2c(c1)OCO2 ZINC001161515415 1048137505 /nfs/dbraw/zinc/13/75/05/1048137505.db2.gz SGUAAOYMFQHYSJ-GFCCVEGCSA-N 1 2 317.348 4.008 20 30 DIEDLO N#CC1(c2ccc(NCCCn3cc[nH+]c3)cc2)CCCCC1 ZINC001161688681 1048155782 /nfs/dbraw/zinc/15/57/82/1048155782.db2.gz ZTDOHCJXZXQTSJ-UHFFFAOYSA-N 1 2 308.429 4.111 20 30 DIEDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1ncccc1C#N ZINC001185792341 1048229011 /nfs/dbraw/zinc/22/90/11/1048229011.db2.gz AYIMUSAWQRXAQW-OAHLLOKOSA-N 1 2 306.413 4.384 20 30 DIEDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1ncccc1C#N ZINC001185792341 1048229024 /nfs/dbraw/zinc/22/90/24/1048229024.db2.gz AYIMUSAWQRXAQW-OAHLLOKOSA-N 1 2 306.413 4.384 20 30 DIEDLO N#Cc1ccc(Oc2cccc(Nc3ccc(N)[nH+]c3)c2)cc1 ZINC001201294538 1048230247 /nfs/dbraw/zinc/23/02/47/1048230247.db2.gz DJCXTXFDKLPXOY-UHFFFAOYSA-N 1 2 302.337 4.071 20 30 DIEDLO N#CC1(CNc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)CCC1 ZINC001162414501 1048278165 /nfs/dbraw/zinc/27/81/65/1048278165.db2.gz CXRIUXFKNNYRHB-UHFFFAOYSA-N 1 2 302.381 4.336 20 30 DIEDLO CC(C)(C)Oc1cc[nH+]cc1NCc1ccc(C2(C#N)CC2)cc1 ZINC001201803649 1048374545 /nfs/dbraw/zinc/37/45/45/1048374545.db2.gz ZQEKNLLTFLUHCI-UHFFFAOYSA-N 1 2 321.424 4.426 20 30 DIEDLO N#Cc1oc2ccccc2c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175707147 1048438257 /nfs/dbraw/zinc/43/82/57/1048438257.db2.gz WSOVSYYGGLFRDL-UHFFFAOYSA-N 1 2 318.258 4.044 20 30 DIEDLO COc1c(F)cccc1[C@H](C)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001163333945 1048455384 /nfs/dbraw/zinc/45/53/84/1048455384.db2.gz CHCFXIILLZNTCD-LBPRGKRZSA-N 1 2 321.355 4.427 20 30 DIEDLO C#Cc1cccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c1 ZINC001175973254 1048512563 /nfs/dbraw/zinc/51/25/63/1048512563.db2.gz WSUOFKGIIXPZBN-UHFFFAOYSA-N 1 2 309.369 4.154 20 30 DIEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1cc(Cl)cc(Cl)c1F ZINC001175992810 1048521165 /nfs/dbraw/zinc/52/11/65/1048521165.db2.gz ZJVIQRXJMLRHCQ-SECBINFHSA-N 1 2 324.186 4.250 20 30 DIEDLO N#CCc1cc[nH+]c(N2CCC3(CCCc4ccccc43)CC2)c1 ZINC001165265215 1048672842 /nfs/dbraw/zinc/67/28/42/1048672842.db2.gz ZBSOUVPIVVSXFU-UHFFFAOYSA-N 1 2 317.436 4.022 20 30 DIEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1Br ZINC000160385680 1048681024 /nfs/dbraw/zinc/68/10/24/1048681024.db2.gz JVNMKNMMSPBDBP-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1Br ZINC000160385680 1048681029 /nfs/dbraw/zinc/68/10/29/1048681029.db2.gz JVNMKNMMSPBDBP-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO CC(C)(Nc1cc(-c2ccncc2)cc[nH+]1)c1ccc(C#N)cc1 ZINC001165734907 1048711422 /nfs/dbraw/zinc/71/14/22/1048711422.db2.gz QVOFRLIQNMHPIU-UHFFFAOYSA-N 1 2 314.392 4.362 20 30 DIEDLO CC(C)(Nc1ccc(F)c(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC001165792021 1048717921 /nfs/dbraw/zinc/71/79/21/1048717921.db2.gz CETOIRHUUNCTNU-UHFFFAOYSA-N 1 2 320.371 4.230 20 30 DIEDLO C=CCn1cc(Nc2ccc(Oc3cc[nH+]c(C)c3)cc2)cn1 ZINC001176549957 1048723481 /nfs/dbraw/zinc/72/34/81/1048723481.db2.gz BHZVDJAMOOSCSN-UHFFFAOYSA-N 1 2 306.369 4.308 20 30 DIEDLO N#Cc1csc(C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000160664082 1048728886 /nfs/dbraw/zinc/72/88/86/1048728886.db2.gz ZVOILPHYMIRDQH-UHFFFAOYSA-N 1 2 314.435 4.477 20 30 DIEDLO N#Cc1csc(C[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000160664082 1048728898 /nfs/dbraw/zinc/72/88/98/1048728898.db2.gz ZVOILPHYMIRDQH-UHFFFAOYSA-N 1 2 314.435 4.477 20 30 DIEDLO CN(CCCc1ccccc1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166555360 1048760225 /nfs/dbraw/zinc/76/02/25/1048760225.db2.gz UHCMBQPIHZFLMO-UHFFFAOYSA-N 1 2 301.393 4.175 20 30 DIEDLO CC[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)C[C@@H](C)C#N ZINC000483285211 1048771698 /nfs/dbraw/zinc/77/16/98/1048771698.db2.gz NGJIFECEIYKSGJ-LBPRGKRZSA-N 1 2 304.340 4.206 20 30 DIEDLO CC[N@H+](Cc1ccc(-c2cccc(F)c2F)o1)C[C@@H](C)C#N ZINC000483285211 1048771708 /nfs/dbraw/zinc/77/17/08/1048771708.db2.gz NGJIFECEIYKSGJ-LBPRGKRZSA-N 1 2 304.340 4.206 20 30 DIEDLO C#CC[N@@H+](Cc1c(F)cccc1Br)C1CCCCC1 ZINC001190707614 1048774962 /nfs/dbraw/zinc/77/49/62/1048774962.db2.gz KVYSQKZNTIBNNH-UHFFFAOYSA-N 1 2 324.237 4.356 20 30 DIEDLO C#CC[N@H+](Cc1c(F)cccc1Br)C1CCCCC1 ZINC001190707614 1048774970 /nfs/dbraw/zinc/77/49/70/1048774970.db2.gz KVYSQKZNTIBNNH-UHFFFAOYSA-N 1 2 324.237 4.356 20 30 DIEDLO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328466 1048834857 /nfs/dbraw/zinc/83/48/57/1048834857.db2.gz FSFXMKXSXXNXFN-UYAOXDASSA-N 1 2 323.415 4.229 20 30 DIEDLO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328466 1048834869 /nfs/dbraw/zinc/83/48/69/1048834869.db2.gz FSFXMKXSXXNXFN-UYAOXDASSA-N 1 2 323.415 4.229 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cn2c(=S)oc3cc(Cl)ccc32)C1 ZINC000853525289 1048907418 /nfs/dbraw/zinc/90/74/18/1048907418.db2.gz CQJUHSKYCQJNDF-NSHDSACASA-N 1 2 321.833 4.200 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cn2c(=S)oc3cc(Cl)ccc32)C1 ZINC000853525289 1048907429 /nfs/dbraw/zinc/90/74/29/1048907429.db2.gz CQJUHSKYCQJNDF-NSHDSACASA-N 1 2 321.833 4.200 20 30 DIEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C(F)(F)F ZINC000484372828 1048931786 /nfs/dbraw/zinc/93/17/86/1048931786.db2.gz KZCAYYWEGWOYPR-AWEZNQCLSA-N 1 2 314.326 4.108 20 30 DIEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C(F)(F)F ZINC000484372828 1048931797 /nfs/dbraw/zinc/93/17/97/1048931797.db2.gz KZCAYYWEGWOYPR-AWEZNQCLSA-N 1 2 314.326 4.108 20 30 DIEDLO N#Cc1ncc(Nc2ccc([NH+]3CCCCC3)cc2)cc1Cl ZINC001203718635 1048974988 /nfs/dbraw/zinc/97/49/88/1048974988.db2.gz IRKHITJHFMTEQL-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO Cc1cc(C[N@H+](Cc2ccccc2)Cc2cccc(C#N)c2)on1 ZINC001203764504 1048992802 /nfs/dbraw/zinc/99/28/02/1048992802.db2.gz RMROTCVOVUANCK-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Cc1cc(C[N@@H+](Cc2ccccc2)Cc2cccc(C#N)c2)on1 ZINC001203764504 1048992806 /nfs/dbraw/zinc/99/28/06/1048992806.db2.gz RMROTCVOVUANCK-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000776803221 1049029264 /nfs/dbraw/zinc/02/92/64/1049029264.db2.gz XJTKNGPVMOIJDC-CQSZACIVSA-N 1 2 309.388 4.471 20 30 DIEDLO N#CC1(c2ccccc2)CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC001204207080 1049111079 /nfs/dbraw/zinc/11/10/79/1049111079.db2.gz DBAZUCFVIUPKBX-UHFFFAOYSA-N 1 2 312.363 4.022 20 30 DIEDLO CCCCCCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001204365947 1049152116 /nfs/dbraw/zinc/15/21/16/1049152116.db2.gz BVPQAVKOBDAPFG-SFHVURJKSA-N 1 2 300.446 4.381 20 30 DIEDLO CCCCCCOc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001204365947 1049152117 /nfs/dbraw/zinc/15/21/17/1049152117.db2.gz BVPQAVKOBDAPFG-SFHVURJKSA-N 1 2 300.446 4.381 20 30 DIEDLO CCCCCCCOc1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001204369571 1049154039 /nfs/dbraw/zinc/15/40/39/1049154039.db2.gz XNUTXIAHPHHMGZ-UHFFFAOYSA-N 1 2 303.446 4.011 20 30 DIEDLO CCCCCCCOc1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001204369571 1049154047 /nfs/dbraw/zinc/15/40/47/1049154047.db2.gz XNUTXIAHPHHMGZ-UHFFFAOYSA-N 1 2 303.446 4.011 20 30 DIEDLO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001204474388 1049171534 /nfs/dbraw/zinc/17/15/34/1049171534.db2.gz MECMEGKLXYWNFN-SNVBAGLBSA-N 1 2 315.232 4.229 20 30 DIEDLO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001204474388 1049171540 /nfs/dbraw/zinc/17/15/40/1049171540.db2.gz MECMEGKLXYWNFN-SNVBAGLBSA-N 1 2 315.232 4.229 20 30 DIEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1c(C)cc(C#N)cc1C ZINC001179814574 1049211531 /nfs/dbraw/zinc/21/15/31/1049211531.db2.gz ANFGPKXVVUUNCP-UHFFFAOYSA-N 1 2 322.387 4.296 20 30 DIEDLO CCCCCCCCC/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857963017 1049213721 /nfs/dbraw/zinc/21/37/21/1049213721.db2.gz QAVLVUYFROPUGL-QXPKXGMISA-N 1 2 317.477 4.011 20 30 DIEDLO CSc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC001179961189 1049252668 /nfs/dbraw/zinc/25/26/68/1049252668.db2.gz BJSSQJBMEFBDII-IAGOWNOFSA-N 1 2 312.438 4.273 20 30 DIEDLO CSc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC001179961189 1049252678 /nfs/dbraw/zinc/25/26/78/1049252678.db2.gz BJSSQJBMEFBDII-IAGOWNOFSA-N 1 2 312.438 4.273 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204879506 1049294675 /nfs/dbraw/zinc/29/46/75/1049294675.db2.gz IAFZEIDXUJRJIB-UHFFFAOYSA-N 1 2 302.315 4.360 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204879506 1049294688 /nfs/dbraw/zinc/29/46/88/1049294688.db2.gz IAFZEIDXUJRJIB-UHFFFAOYSA-N 1 2 302.315 4.360 20 30 DIEDLO N#CC1(c2ccc(Nc3ccn4cc[nH+]c4c3)cc2)CCCC1 ZINC001204992018 1049332861 /nfs/dbraw/zinc/33/28/61/1049332861.db2.gz XNUOAWAZWPGGTQ-UHFFFAOYSA-N 1 2 302.381 4.413 20 30 DIEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000027209629 1049411991 /nfs/dbraw/zinc/41/19/91/1049411991.db2.gz NOSMQLNQVQQDIX-HNAYVOBHSA-N 1 2 323.827 4.463 20 30 DIEDLO CCCCCCCCOC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001194756556 1049426108 /nfs/dbraw/zinc/42/61/08/1049426108.db2.gz KWAQZNSJPYTKTO-UHFFFAOYSA-N 1 2 321.396 4.060 20 30 DIEDLO CCCCCCC[C@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001181122940 1049442956 /nfs/dbraw/zinc/44/29/56/1049442956.db2.gz ZENJQHOJJMTDLB-HNNXBMFYSA-N 1 2 305.466 4.112 20 30 DIEDLO CCCCCCC[C@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001181122940 1049442964 /nfs/dbraw/zinc/44/29/64/1049442964.db2.gz ZENJQHOJJMTDLB-HNNXBMFYSA-N 1 2 305.466 4.112 20 30 DIEDLO CCCCCCC[C@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001181122550 1049443421 /nfs/dbraw/zinc/44/34/21/1049443421.db2.gz MIGLMHGMBZWJDK-JKSUJKDBSA-N 1 2 305.466 4.112 20 30 DIEDLO C=CCN(C(=O)c1cccc(-c2c[nH+]cn2C)c1)C1CCCCC1 ZINC001194908443 1049446039 /nfs/dbraw/zinc/44/60/39/1049446039.db2.gz DNDOQUQQWKZLJV-UHFFFAOYSA-N 1 2 323.440 4.048 20 30 DIEDLO CCCCCCCCCOC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001194914348 1049447291 /nfs/dbraw/zinc/44/72/91/1049447291.db2.gz XQICQVMPPNPQCF-UHFFFAOYSA-N 1 2 321.465 4.407 20 30 DIEDLO CCCCCCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000862355665 1049490353 /nfs/dbraw/zinc/49/03/53/1049490353.db2.gz MOAQHHMORDLWKY-KRWDZBQOSA-N 1 2 313.445 4.018 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC)c1ccc(F)cc1 ZINC001205973773 1049615042 /nfs/dbraw/zinc/61/50/42/1049615042.db2.gz GHTHCGLZCAZAMY-QGZVFWFLSA-N 1 2 317.791 4.342 20 30 DIEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc3ccccc3c2)s1 ZINC000794692942 1049669250 /nfs/dbraw/zinc/66/92/50/1049669250.db2.gz ZTPJUALCVVKVGS-MDZDMXLPSA-N 1 2 322.433 4.254 20 30 DIEDLO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)[C@H]1c1cccnc1 ZINC001196546472 1049670214 /nfs/dbraw/zinc/67/02/14/1049670214.db2.gz ZDTKOVKNQXQOBK-SFHVURJKSA-N 1 2 310.828 4.170 20 30 DIEDLO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H]1c1cccnc1 ZINC001196546472 1049670230 /nfs/dbraw/zinc/67/02/30/1049670230.db2.gz ZDTKOVKNQXQOBK-SFHVURJKSA-N 1 2 310.828 4.170 20 30 DIEDLO C=CCC[C@@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC000489018504 1049719038 /nfs/dbraw/zinc/71/90/38/1049719038.db2.gz URLVLYZTEJHNIV-MRXNPFEDSA-N 1 2 305.381 4.023 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(COc3ccccc3)c2)C1 ZINC001207518014 1049902831 /nfs/dbraw/zinc/90/28/31/1049902831.db2.gz CAERRVXQBPCBFJ-IBGZPJMESA-N 1 2 306.409 4.001 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(COc3ccccc3)c2)C1 ZINC001207518014 1049902837 /nfs/dbraw/zinc/90/28/37/1049902837.db2.gz CAERRVXQBPCBFJ-IBGZPJMESA-N 1 2 306.409 4.001 20 30 DIEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000589272824 1050025838 /nfs/dbraw/zinc/02/58/38/1050025838.db2.gz DTAFCKYIKMMNMQ-ZBEGNZNMSA-N 1 2 322.239 4.478 20 30 DIEDLO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000589511482 1050042536 /nfs/dbraw/zinc/04/25/36/1050042536.db2.gz NJEPMHDQXOCKDJ-RXEWJAMOSA-N 1 2 320.383 4.317 20 30 DIEDLO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000589511482 1050042543 /nfs/dbraw/zinc/04/25/43/1050042543.db2.gz NJEPMHDQXOCKDJ-RXEWJAMOSA-N 1 2 320.383 4.317 20 30 DIEDLO Cn1nc(C[N@H+](CCC#N)C2CCCCCCC2)c2ccccc21 ZINC001209581057 1050068984 /nfs/dbraw/zinc/06/89/84/1050068984.db2.gz BQERZCGSLPABOY-UHFFFAOYSA-N 1 2 324.472 4.402 20 30 DIEDLO Cn1nc(C[N@@H+](CCC#N)C2CCCCCCC2)c2ccccc21 ZINC001209581057 1050068988 /nfs/dbraw/zinc/06/89/88/1050068988.db2.gz BQERZCGSLPABOY-UHFFFAOYSA-N 1 2 324.472 4.402 20 30 DIEDLO Cc1cc(Nc2ccc3nc(C#N)sc3c2)ccc1[NH+](C)C ZINC001210044237 1050128333 /nfs/dbraw/zinc/12/83/33/1050128333.db2.gz VXGQXNOSQXUEOG-UHFFFAOYSA-N 1 2 308.410 4.286 20 30 DIEDLO C[C@H](C#N)Oc1ccc(CNc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000770481019 1050166284 /nfs/dbraw/zinc/16/62/84/1050166284.db2.gz UOUWMEOXZBDMMD-MRXNPFEDSA-N 1 2 321.424 4.190 20 30 DIEDLO CCOc1ccc([C@H]([NH2+]CCC#N)c2cccc(Cl)c2)cc1 ZINC000591757045 1050203332 /nfs/dbraw/zinc/20/33/32/1050203332.db2.gz TWHCBRICKFZROX-SFHVURJKSA-N 1 2 314.816 4.331 20 30 DIEDLO C[C@@H](c1ccccc1)[N@H+](Cc1c[nH]cn1)Cc1cccc(C#N)c1 ZINC001136873000 1050208782 /nfs/dbraw/zinc/20/87/82/1050208782.db2.gz GAXSIGDFTCTYSM-INIZCTEOSA-N 1 2 316.408 4.045 20 30 DIEDLO C[C@@H](c1ccccc1)[N@@H+](Cc1c[nH]cn1)Cc1cccc(C#N)c1 ZINC001136873000 1050208794 /nfs/dbraw/zinc/20/87/94/1050208794.db2.gz GAXSIGDFTCTYSM-INIZCTEOSA-N 1 2 316.408 4.045 20 30 DIEDLO CCCCCCCCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000824440809 1050211217 /nfs/dbraw/zinc/21/12/17/1050211217.db2.gz BTVTXYWDYWTPAE-UHFFFAOYSA-N 1 2 322.518 4.143 20 30 DIEDLO Cn1c[nH+]cc1-c1cccc(N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001171063898 1050239025 /nfs/dbraw/zinc/23/90/25/1050239025.db2.gz SCNQEVOBQAUKIE-LJQANCHMSA-N 1 2 314.392 4.058 20 30 DIEDLO CC(C)[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(Cl)cc1F ZINC000592101351 1050269878 /nfs/dbraw/zinc/26/98/78/1050269878.db2.gz QYGKUQBLEJEJOU-KRWDZBQOSA-N 1 2 317.795 4.233 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3\CSc4ccc(F)cc4C3=O)n2c1 ZINC000771849891 1050291518 /nfs/dbraw/zinc/29/15/18/1050291518.db2.gz HQXVNFHXAQMAJP-WUXMJOGZSA-N 1 2 324.380 4.154 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cn(C)c4ccccc34)n2c1 ZINC000771860546 1050292942 /nfs/dbraw/zinc/29/29/42/1050292942.db2.gz SAPAZVQZYXJTLJ-HJWRWDBZSA-N 1 2 315.376 4.031 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088452 1050308420 /nfs/dbraw/zinc/30/84/20/1050308420.db2.gz UWIAPUMRLZGIMG-FZMZJTMJSA-N 1 2 309.240 4.086 20 30 DIEDLO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088452 1050308431 /nfs/dbraw/zinc/30/84/31/1050308431.db2.gz UWIAPUMRLZGIMG-FZMZJTMJSA-N 1 2 309.240 4.086 20 30 DIEDLO CCOc1ccc(/C=[NH+]\CCC2CC(OC(C)(C)C)C2)c(O)c1 ZINC000760989784 1050326404 /nfs/dbraw/zinc/32/64/04/1050326404.db2.gz GMAMQGAXBIFDNM-MOSHPQCFSA-N 1 2 319.445 4.194 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143810620 1050371195 /nfs/dbraw/zinc/37/11/95/1050371195.db2.gz UKDYIMMOXPJEQI-UHFFFAOYSA-N 1 2 304.743 4.484 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143810620 1050371209 /nfs/dbraw/zinc/37/12/09/1050371209.db2.gz UKDYIMMOXPJEQI-UHFFFAOYSA-N 1 2 304.743 4.484 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735491392 1050404039 /nfs/dbraw/zinc/40/40/39/1050404039.db2.gz JZFVZAJYSZJWRY-UHFFFAOYSA-N 1 2 316.788 4.436 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735491392 1050404047 /nfs/dbraw/zinc/40/40/47/1050404047.db2.gz JZFVZAJYSZJWRY-UHFFFAOYSA-N 1 2 316.788 4.436 20 30 DIEDLO N#Cc1cc2c(ccn2-c2ccccc2[NH+]2CCCCC2)c(N)c1 ZINC001210964561 1050436506 /nfs/dbraw/zinc/43/65/06/1050436506.db2.gz VKAWPTJWCYWSSQ-UHFFFAOYSA-N 1 2 316.408 4.075 20 30 DIEDLO CC1(CC(F)F)C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000592524025 1050437042 /nfs/dbraw/zinc/43/70/42/1050437042.db2.gz SRTNPAWZGABKHB-UHFFFAOYSA-N 1 2 318.289 4.054 20 30 DIEDLO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC001171134050 1050463086 /nfs/dbraw/zinc/46/30/86/1050463086.db2.gz VACWMOYJYLGZSK-LJQANCHMSA-N 1 2 315.338 4.293 20 30 DIEDLO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC001171134050 1050463090 /nfs/dbraw/zinc/46/30/90/1050463090.db2.gz VACWMOYJYLGZSK-LJQANCHMSA-N 1 2 315.338 4.293 20 30 DIEDLO C=CCCC[N@@H+](C)Cn1nc(-c2ccccc2Cl)oc1=S ZINC000736583549 1050483727 /nfs/dbraw/zinc/48/37/27/1050483727.db2.gz MDEJJURELINRLT-UHFFFAOYSA-N 1 2 323.849 4.381 20 30 DIEDLO C=CCCC[N@H+](C)Cn1nc(-c2ccccc2Cl)oc1=S ZINC000736583549 1050483732 /nfs/dbraw/zinc/48/37/32/1050483732.db2.gz MDEJJURELINRLT-UHFFFAOYSA-N 1 2 323.849 4.381 20 30 DIEDLO Cc1c[nH+]c(CCNc2cccc(C(F)F)c2C#N)c(C)c1 ZINC000594595818 1050534484 /nfs/dbraw/zinc/53/44/84/1050534484.db2.gz LPPPLOMHIUCYAR-UHFFFAOYSA-N 1 2 301.340 4.162 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1csc(Cl)c1 ZINC000787154112 1050556283 /nfs/dbraw/zinc/55/62/83/1050556283.db2.gz FMARJJQYJAIQAR-UHFFFAOYSA-N 1 2 301.802 4.208 20 30 DIEDLO CCc1ccc(F)c(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171181826 1050574666 /nfs/dbraw/zinc/57/46/66/1050574666.db2.gz CTWXPGKIKUZJEZ-UHFFFAOYSA-N 1 2 308.356 4.284 20 30 DIEDLO C=CC1CC[NH+](Cc2ccc(Cl)nc2C(F)(F)F)CC1 ZINC000787245781 1050575941 /nfs/dbraw/zinc/57/59/41/1050575941.db2.gz TZQGYPVPAHNTJO-UHFFFAOYSA-N 1 2 304.743 4.152 20 30 DIEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611113 1050658654 /nfs/dbraw/zinc/65/86/54/1050658654.db2.gz HDAAYAMODYROGP-CHWSQXEVSA-N 1 2 318.371 4.118 20 30 DIEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611113 1050658658 /nfs/dbraw/zinc/65/86/58/1050658658.db2.gz HDAAYAMODYROGP-CHWSQXEVSA-N 1 2 318.371 4.118 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1F ZINC000595678340 1050658893 /nfs/dbraw/zinc/65/88/93/1050658893.db2.gz YOFYKXWDKAFERD-GOSISDBHSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1F ZINC000595678340 1050658896 /nfs/dbraw/zinc/65/88/96/1050658896.db2.gz YOFYKXWDKAFERD-GOSISDBHSA-N 1 2 310.372 4.408 20 30 DIEDLO CC[N@H+](CCCCOc1ccccc1C(F)(F)F)[C@H](C)C#N ZINC000595813448 1050668991 /nfs/dbraw/zinc/66/89/91/1050668991.db2.gz NAHQYDHJYXUDPH-CYBMUJFWSA-N 1 2 314.351 4.098 20 30 DIEDLO CC[N@@H+](CCCCOc1ccccc1C(F)(F)F)[C@H](C)C#N ZINC000595813448 1050668994 /nfs/dbraw/zinc/66/89/94/1050668994.db2.gz NAHQYDHJYXUDPH-CYBMUJFWSA-N 1 2 314.351 4.098 20 30 DIEDLO CC[N@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC000595813090 1050670681 /nfs/dbraw/zinc/67/06/81/1050670681.db2.gz KHSDNIAFUPTWSG-ZDUSSCGKSA-N 1 2 314.351 4.098 20 30 DIEDLO CC[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC000595813090 1050670689 /nfs/dbraw/zinc/67/06/89/1050670689.db2.gz KHSDNIAFUPTWSG-ZDUSSCGKSA-N 1 2 314.351 4.098 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(C#N)cc3Cl)c[nH+]c12 ZINC000788360972 1050672918 /nfs/dbraw/zinc/67/29/18/1050672918.db2.gz QNVUPDBWZXPTLB-FNORWQNLSA-N 1 2 321.767 4.064 20 30 DIEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(C#N)c2ncccc12 ZINC001213503560 1050674415 /nfs/dbraw/zinc/67/44/15/1050674415.db2.gz MJWRUHJZQGDTKV-UHFFFAOYSA-N 1 2 300.365 4.431 20 30 DIEDLO Cc1cc(C)c(Nc2cccc(Br)c2C#N)c[nH+]1 ZINC001213515843 1050677707 /nfs/dbraw/zinc/67/77/07/1050677707.db2.gz OTSPZMPPPONVFL-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1c[nH+]cc(Nc2ccc(Br)cc2C#N)c1C ZINC001213531040 1050679946 /nfs/dbraw/zinc/67/99/46/1050679946.db2.gz SPRHSSZRPJOAGA-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1cc(C)c(Nc2cc(C#N)ccc2Br)c[nH+]1 ZINC001213521125 1050680422 /nfs/dbraw/zinc/68/04/22/1050680422.db2.gz VDAHRMACTIWXBF-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO COc1cc(N[NH+]=C2CCCNc3ccccc32)ccc1Cl ZINC000788467212 1050685913 /nfs/dbraw/zinc/68/59/13/1050685913.db2.gz FTMOGYGTKHTCTG-UHFFFAOYSA-N 1 2 315.804 4.371 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cccc(F)c1 ZINC000737444520 1050730185 /nfs/dbraw/zinc/73/01/85/1050730185.db2.gz SJDSQRBSZZKWAD-AATRIKPKSA-N 1 2 300.720 4.023 20 30 DIEDLO Cc1cc(NCc2ccc(C#N)c(F)c2)[nH+]cc1C(F)(F)F ZINC001170089158 1050738252 /nfs/dbraw/zinc/73/82/52/1050738252.db2.gz GNRKLCDMJXMMQN-UHFFFAOYSA-N 1 2 309.266 4.032 20 30 DIEDLO N#Cc1cccc(C2([NH2+][C@@H]3COCc4cccc(Cl)c43)CC2)c1 ZINC000788828642 1050759300 /nfs/dbraw/zinc/75/93/00/1050759300.db2.gz VLGPMTQDDPEBOU-QGZVFWFLSA-N 1 2 324.811 4.062 20 30 DIEDLO CC(C)c1cc(NCc2ccc(C#N)c(F)c2)nc(C(C)C)[nH+]1 ZINC001170091007 1050762111 /nfs/dbraw/zinc/76/21/11/1050762111.db2.gz TVJIDJQUDOIQEA-UHFFFAOYSA-N 1 2 312.392 4.346 20 30 DIEDLO C[C@H]([NH2+]CC(F)(F)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000788982696 1050769126 /nfs/dbraw/zinc/76/91/26/1050769126.db2.gz YPYXNXBRRJXCGJ-AWEZNQCLSA-N 1 2 316.351 4.032 20 30 DIEDLO C[C@@H]([NH2+]CC(F)(F)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000788982699 1050770749 /nfs/dbraw/zinc/77/07/49/1050770749.db2.gz YPYXNXBRRJXCGJ-CQSZACIVSA-N 1 2 316.351 4.032 20 30 DIEDLO CN(c1ccc(Nc2ccc(O)cc2C#N)c[nH+]1)C1CCCCC1 ZINC001212615445 1050822524 /nfs/dbraw/zinc/82/25/24/1050822524.db2.gz YTIUZHGGOVJINP-UHFFFAOYSA-N 1 2 322.412 4.171 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000597228900 1050826199 /nfs/dbraw/zinc/82/61/99/1050826199.db2.gz IBWAMCXMDZUFLF-MRXNPFEDSA-N 1 2 323.223 4.005 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000597228900 1050826212 /nfs/dbraw/zinc/82/62/12/1050826212.db2.gz IBWAMCXMDZUFLF-MRXNPFEDSA-N 1 2 323.223 4.005 20 30 DIEDLO CCOc1ccc(/C=[NH+]/CCSCc2ccccc2)c(O)c1 ZINC000743341298 1051012319 /nfs/dbraw/zinc/01/23/19/1051012319.db2.gz XYKVIVHWRISWSY-CPNJWEJPSA-N 1 2 315.438 4.143 20 30 DIEDLO CCOc1ccc(/C=[NH+]\CCSCc2ccccc2)c(O)c1 ZINC000743341308 1051012767 /nfs/dbraw/zinc/01/27/67/1051012767.db2.gz XYKVIVHWRISWSY-UYRXBGFRSA-N 1 2 315.438 4.143 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]cc(OC)c2cc[nH]c21 ZINC001171372119 1051026785 /nfs/dbraw/zinc/02/67/85/1051026785.db2.gz FCSSFHXYPPZQHA-CYBMUJFWSA-N 1 2 323.396 4.309 20 30 DIEDLO Clc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000743450126 1051027496 /nfs/dbraw/zinc/02/74/96/1051027496.db2.gz MBOFLTZXBADONM-UHFFFAOYSA-N 1 2 314.820 4.171 20 30 DIEDLO N#Cc1ccc(CNc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)s1 ZINC001170200092 1051154365 /nfs/dbraw/zinc/15/43/65/1051154365.db2.gz VTSPLYYJWVDCOF-UHFFFAOYSA-N 1 2 323.343 4.221 20 30 DIEDLO N#Cc1ccc(CNc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)s1 ZINC001170202909 1051155821 /nfs/dbraw/zinc/15/58/21/1051155821.db2.gz IAICBCIAONOTKH-UHFFFAOYSA-N 1 2 322.315 4.127 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1cc(CC)cc(C(C)(C)C)c1O ZINC000793561126 1051319035 /nfs/dbraw/zinc/31/90/35/1051319035.db2.gz TVVMPCOMOBBJTH-UHFFFAOYSA-N 1 2 300.446 4.154 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1cc(CC)cc(C(C)(C)C)c1O ZINC000793561126 1051319044 /nfs/dbraw/zinc/31/90/44/1051319044.db2.gz TVVMPCOMOBBJTH-UHFFFAOYSA-N 1 2 300.446 4.154 20 30 DIEDLO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001172506194 1051424753 /nfs/dbraw/zinc/42/47/53/1051424753.db2.gz PUJYUKGKKXRFIM-HOCLYGCPSA-N 1 2 324.390 4.408 20 30 DIEDLO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001172506194 1051424762 /nfs/dbraw/zinc/42/47/62/1051424762.db2.gz PUJYUKGKKXRFIM-HOCLYGCPSA-N 1 2 324.390 4.408 20 30 DIEDLO N#Cc1oc2ccccc2c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694133 1051582003 /nfs/dbraw/zinc/58/20/03/1051582003.db2.gz LGLIBBDZTWUHDZ-UHFFFAOYSA-N 1 2 314.348 4.293 20 30 DIEDLO C[C@H](C#N)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212696986 1051587748 /nfs/dbraw/zinc/58/77/48/1051587748.db2.gz YQQPJBBMDJHIAA-OAHLLOKOSA-N 1 2 302.381 4.302 20 30 DIEDLO N#Cc1ccc(Cl)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212697743 1051588302 /nfs/dbraw/zinc/58/83/02/1051588302.db2.gz QVTVDHHXEMYONM-UHFFFAOYSA-N 1 2 308.772 4.200 20 30 DIEDLO CC(C)(C#N)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212697727 1051589131 /nfs/dbraw/zinc/58/91/31/1051589131.db2.gz PZHKGBDAHBQCLJ-UHFFFAOYSA-N 1 2 316.408 4.476 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccccc1 ZINC000766851597 1051708741 /nfs/dbraw/zinc/70/87/41/1051708741.db2.gz FNVLWSDZZFMDJC-KRWDZBQOSA-N 1 2 319.433 4.059 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(Cl)c1O ZINC000806138681 1051738904 /nfs/dbraw/zinc/73/89/04/1051738904.db2.gz ZOHSHTBPLFUVJI-INIZCTEOSA-N 1 2 318.779 4.297 20 30 DIEDLO C=CC[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000186797845 1051828019 /nfs/dbraw/zinc/82/80/19/1051828019.db2.gz WUDHZOJHJPFGDN-LJQANCHMSA-N 1 2 317.392 4.171 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)c(F)c1 ZINC000187374551 1051844184 /nfs/dbraw/zinc/84/41/84/1051844184.db2.gz WOMRBGKBMYMQAH-SFHVURJKSA-N 1 2 313.351 4.020 20 30 DIEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc2cc(O)ccc2c1 ZINC000769611076 1052086371 /nfs/dbraw/zinc/08/63/71/1052086371.db2.gz VNHQUYFQAPKVKA-CLFYSBASSA-N 1 2 314.344 4.089 20 30 DIEDLO O=C1c2cc(Cl)ccc2OCC/C1=C/c1cccc2[nH+]ccn21 ZINC000769610514 1052087527 /nfs/dbraw/zinc/08/75/27/1052087527.db2.gz RXLTZKFSYCHIBR-BENRWUELSA-N 1 2 324.767 4.037 20 30 DIEDLO Cc1ccc(C)c2c1CC/C(=C\c1c[nH+]c3ccccn13)C2=O ZINC000769746305 1052106123 /nfs/dbraw/zinc/10/61/23/1052106123.db2.gz HICHCRYGRHONLE-RVDMUPIBSA-N 1 2 302.377 4.164 20 30 DIEDLO CC(C)n1c[nH+]c2cc(Nc3nc(Cl)ccc3C#N)ccc21 ZINC001174381563 1052141001 /nfs/dbraw/zinc/14/10/01/1052141001.db2.gz KSIGDEQCIZJOHH-UHFFFAOYSA-N 1 2 311.776 4.281 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccccc1C1CC1 ZINC000613443023 1052190427 /nfs/dbraw/zinc/19/04/27/1052190427.db2.gz XMZYNBUPWFWSCI-UHFFFAOYSA-N 1 2 307.397 4.254 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(-c2ccccc2)o1 ZINC000761805017 1052209564 /nfs/dbraw/zinc/20/95/64/1052209564.db2.gz VVRKSVQUZHYPPE-KTKRTIGZSA-N 1 2 314.344 4.490 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3\C(=O)c4cccc5c4[C@@H]3CCC5)n2c1 ZINC000763290647 1052557823 /nfs/dbraw/zinc/55/78/23/1052557823.db2.gz RRSMMCCIEDREHZ-LTKMBJGESA-N 1 2 314.388 4.343 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153895298 1052594857 /nfs/dbraw/zinc/59/48/57/1052594857.db2.gz WBRQJUJSWPMREP-UHFFFAOYSA-N 1 2 309.797 4.010 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153895298 1052594866 /nfs/dbraw/zinc/59/48/66/1052594866.db2.gz WBRQJUJSWPMREP-UHFFFAOYSA-N 1 2 309.797 4.010 20 30 DIEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(Cl)cc2)s1 ZINC000916247016 1052598254 /nfs/dbraw/zinc/59/82/54/1052598254.db2.gz VCFRHMWNEUFROY-UHFFFAOYSA-N 1 2 308.838 4.089 20 30 DIEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccccc2N2CCCCC2)cc1 ZINC000916244992 1052598746 /nfs/dbraw/zinc/59/87/46/1052598746.db2.gz LJCIDDLLUNNJFK-UHFFFAOYSA-N 1 2 324.384 4.031 20 30 DIEDLO CCCCCCCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000916444115 1052607935 /nfs/dbraw/zinc/60/79/35/1052607935.db2.gz JZHKPBWFCFXHKB-UHFFFAOYSA-N 1 2 317.477 4.049 20 30 DIEDLO C=C(C)CCCO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224280902 1052685581 /nfs/dbraw/zinc/68/55/81/1052685581.db2.gz GCFDFCPHYJSBCB-ZDUSSCGKSA-N 1 2 314.882 4.134 20 30 DIEDLO C=C(C)CCCO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224280902 1052685585 /nfs/dbraw/zinc/68/55/85/1052685585.db2.gz GCFDFCPHYJSBCB-ZDUSSCGKSA-N 1 2 314.882 4.134 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000127625493 1052700366 /nfs/dbraw/zinc/70/03/66/1052700366.db2.gz LKGTYEINIFTDPQ-UHFFFAOYSA-N 1 2 315.398 4.059 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000127625493 1052700369 /nfs/dbraw/zinc/70/03/69/1052700369.db2.gz LKGTYEINIFTDPQ-UHFFFAOYSA-N 1 2 315.398 4.059 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000127661296 1052701725 /nfs/dbraw/zinc/70/17/25/1052701725.db2.gz RKBNNPKKVMEHEL-UHFFFAOYSA-N 1 2 324.424 4.010 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000127661296 1052701728 /nfs/dbraw/zinc/70/17/28/1052701728.db2.gz RKBNNPKKVMEHEL-UHFFFAOYSA-N 1 2 324.424 4.010 20 30 DIEDLO C(=NNc1cccc2c1CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000917551582 1052737629 /nfs/dbraw/zinc/73/76/29/1052737629.db2.gz LHOUDSASYSGAHI-UHFFFAOYSA-N 1 2 316.408 4.197 20 30 DIEDLO COc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1C#N ZINC000556065598 1052796182 /nfs/dbraw/zinc/79/61/82/1052796182.db2.gz SPPIEUWVCIWYNM-QGZVFWFLSA-N 1 2 312.800 4.167 20 30 DIEDLO COc1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1C#N ZINC000556065598 1052796184 /nfs/dbraw/zinc/79/61/84/1052796184.db2.gz SPPIEUWVCIWYNM-QGZVFWFLSA-N 1 2 312.800 4.167 20 30 DIEDLO Fc1cccc(N[NH+]=Cc2ccc(N3CCCCC3)s2)c1 ZINC000920384369 1052937073 /nfs/dbraw/zinc/93/70/73/1052937073.db2.gz SJYZFOZJSZKDJH-UHFFFAOYSA-N 1 2 303.406 4.324 20 30 DIEDLO N#CC1(c2ccc(Nc3cc(Cl)c4[nH+]ccn4c3)cc2)CC1 ZINC001212251661 1052960691 /nfs/dbraw/zinc/96/06/91/1052960691.db2.gz OIZGPNCEHMRRBR-UHFFFAOYSA-N 1 2 308.772 4.286 20 30 DIEDLO N#CC1(c2ccc(Nc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC001212253713 1052966974 /nfs/dbraw/zinc/96/69/74/1052966974.db2.gz PDNQMZNPTKKGSZ-UHFFFAOYSA-N 1 2 300.365 4.171 20 30 DIEDLO N#CC1(c2ccc(Nc3cccc(Cn4cc[nH+]c4)c3)cc2)CC1 ZINC001212255914 1052973142 /nfs/dbraw/zinc/97/31/42/1052973142.db2.gz JVHYDNGNCYTGSR-UHFFFAOYSA-N 1 2 314.392 4.230 20 30 DIEDLO C=CC[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000064556559 1052993771 /nfs/dbraw/zinc/99/37/71/1052993771.db2.gz VKSOHJRBUCDJDT-UHFFFAOYSA-N 1 2 321.399 4.200 20 30 DIEDLO C=CC[N@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000064556559 1052993774 /nfs/dbraw/zinc/99/37/74/1052993774.db2.gz VKSOHJRBUCDJDT-UHFFFAOYSA-N 1 2 321.399 4.200 20 30 DIEDLO N#Cc1cc(F)ccc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179676548 1053020941 /nfs/dbraw/zinc/02/09/41/1053020941.db2.gz OATQHEMJCUFVPJ-UHFFFAOYSA-N 1 2 300.764 4.130 20 30 DIEDLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(C#N)cc1 ZINC000179917939 1053035417 /nfs/dbraw/zinc/03/54/17/1053035417.db2.gz ILMFZKLFVIWORK-OAHLLOKOSA-N 1 2 306.413 4.117 20 30 DIEDLO C=C(C)[C@H]1CC=C(C)[C@@H](Oc2cc3c(cc2OC)CC[NH+]=C3)C1 ZINC001228089822 1053042946 /nfs/dbraw/zinc/04/29/46/1053042946.db2.gz KYCQBCMXCMQXFB-YJBOKZPZSA-N 1 2 311.425 4.350 20 30 DIEDLO C=CC[C@@H](C)Oc1cccc(C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC001228105881 1053044611 /nfs/dbraw/zinc/04/46/11/1053044611.db2.gz ZMPFVTACVZCUJB-QGZVFWFLSA-N 1 2 323.436 4.345 20 30 DIEDLO C=CC[C@@H](C)Oc1cccc(C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC001228105881 1053044615 /nfs/dbraw/zinc/04/46/15/1053044615.db2.gz ZMPFVTACVZCUJB-QGZVFWFLSA-N 1 2 323.436 4.345 20 30 DIEDLO C=C[C@@]1(C)CC[C@H](Oc2ccc3[nH]c(C)[nH+]c3c2)C(C)(C)O1 ZINC001228328188 1053076085 /nfs/dbraw/zinc/07/60/85/1053076085.db2.gz CHOLYMLHUUCUNM-WMZOPIPTSA-N 1 2 300.402 4.152 20 30 DIEDLO C[N@H+](Cc1ccsc1)Cc1cc(C#N)ccc1Br ZINC000617194793 1053108926 /nfs/dbraw/zinc/10/89/26/1053108926.db2.gz WEPRVQWMLXHACP-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1ccsc1)Cc1cc(C#N)ccc1Br ZINC000617194793 1053108932 /nfs/dbraw/zinc/10/89/32/1053108932.db2.gz WEPRVQWMLXHACP-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO Cc1nc(N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc[nH+]1 ZINC000543896775 1053133014 /nfs/dbraw/zinc/13/30/14/1053133014.db2.gz FNVUCAZIFQXCKM-AWEZNQCLSA-N 1 2 314.392 4.497 20 30 DIEDLO Cc1csc(CCC/[NH+]=C/c2c(O)ccc3ccccc32)n1 ZINC001318173914 1053154216 /nfs/dbraw/zinc/15/42/16/1053154216.db2.gz GLJYAMSTGBKLBI-YBFXNURJSA-N 1 2 310.422 4.362 20 30 DIEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1c(F)cccc1Cl ZINC000181729955 1053285383 /nfs/dbraw/zinc/28/53/83/1053285383.db2.gz CLZCLHICAMFVQY-JTQLQIEISA-N 1 2 306.743 4.341 20 30 DIEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181737295 1053285701 /nfs/dbraw/zinc/28/57/01/1053285701.db2.gz LSZTWFGGTQZMOM-NSHDSACASA-N 1 2 318.779 4.210 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000093091119 1053362242 /nfs/dbraw/zinc/36/22/42/1053362242.db2.gz FJTSCOGMFQSOFF-VIFPVBQESA-N 1 2 324.268 4.458 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000093091119 1053362254 /nfs/dbraw/zinc/36/22/54/1053362254.db2.gz FJTSCOGMFQSOFF-VIFPVBQESA-N 1 2 324.268 4.458 20 30 DIEDLO CC[C@@H](C#Cc1ccccc1)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954316 1053438778 /nfs/dbraw/zinc/43/87/78/1053438778.db2.gz NFOMTYQSSAKZKV-IBGZPJMESA-N 1 2 302.377 4.081 20 30 DIEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(OC(C)(C)C)cc1 ZINC001323088767 1053564815 /nfs/dbraw/zinc/56/48/15/1053564815.db2.gz RYISACTYXUJIDL-RAXLEYEMSA-N 1 2 324.424 4.221 20 30 DIEDLO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc(-c3[nH]cc[nH+]3)cc2)O1 ZINC001231082307 1053671854 /nfs/dbraw/zinc/67/18/54/1053671854.db2.gz ULZOWQVHYPAEDP-QFBILLFUSA-N 1 2 312.413 4.358 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C1 ZINC001231857299 1053891490 /nfs/dbraw/zinc/89/14/90/1053891490.db2.gz NAHVCSZDGPWFKN-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C1 ZINC001231857299 1053891503 /nfs/dbraw/zinc/89/15/03/1053891503.db2.gz NAHVCSZDGPWFKN-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO C=CC[NH+](CC=C)Cc1c(Br)[nH]c2ccccc21 ZINC001232142746 1053971270 /nfs/dbraw/zinc/97/12/70/1053971270.db2.gz PBJPPKNIIWXDOK-UHFFFAOYSA-N 1 2 305.219 4.104 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCc2ccccc21 ZINC001232609098 1054079827 /nfs/dbraw/zinc/07/98/27/1054079827.db2.gz KEZOVDAVENDHHK-HXUWFJFHSA-N 1 2 320.823 4.334 20 30 DIEDLO C#CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCc2ccccc21 ZINC001232609098 1054079835 /nfs/dbraw/zinc/07/98/35/1054079835.db2.gz KEZOVDAVENDHHK-HXUWFJFHSA-N 1 2 320.823 4.334 20 30 DIEDLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232677538 1054097086 /nfs/dbraw/zinc/09/70/86/1054097086.db2.gz FEIRIWDLFRUDFU-GFCCVEGCSA-N 1 2 300.789 4.110 20 30 DIEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232677538 1054097097 /nfs/dbraw/zinc/09/70/97/1054097097.db2.gz FEIRIWDLFRUDFU-GFCCVEGCSA-N 1 2 300.789 4.110 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001232678409 1054099850 /nfs/dbraw/zinc/09/98/50/1054099850.db2.gz XZBZNYUWBQUJLF-QGZVFWFLSA-N 1 2 312.800 4.254 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001232678409 1054099857 /nfs/dbraw/zinc/09/98/57/1054099857.db2.gz XZBZNYUWBQUJLF-QGZVFWFLSA-N 1 2 312.800 4.254 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232677752 1054100173 /nfs/dbraw/zinc/10/01/73/1054100173.db2.gz JHLIUJCHTOXDNM-LBPRGKRZSA-N 1 2 300.789 4.110 20 30 DIEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232677752 1054100178 /nfs/dbraw/zinc/10/01/78/1054100178.db2.gz JHLIUJCHTOXDNM-LBPRGKRZSA-N 1 2 300.789 4.110 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)s1 ZINC001232843888 1054130215 /nfs/dbraw/zinc/13/02/15/1054130215.db2.gz GQNWYCLEMNNGAG-INIZCTEOSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)s1 ZINC001232843888 1054130219 /nfs/dbraw/zinc/13/02/19/1054130219.db2.gz GQNWYCLEMNNGAG-INIZCTEOSA-N 1 2 304.365 4.235 20 30 DIEDLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c(C#N)c1 ZINC001232969141 1054161988 /nfs/dbraw/zinc/16/19/88/1054161988.db2.gz ZESHBFWKGALEQD-IBGZPJMESA-N 1 2 312.363 4.482 20 30 DIEDLO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c(C#N)c1 ZINC001232969141 1054161993 /nfs/dbraw/zinc/16/19/93/1054161993.db2.gz ZESHBFWKGALEQD-IBGZPJMESA-N 1 2 312.363 4.482 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCSC[C@@H]2c2nccs2)CCC1 ZINC001334795356 1054199214 /nfs/dbraw/zinc/19/92/14/1054199214.db2.gz YINDCVRIFRDOIO-CQSZACIVSA-N 1 2 321.515 4.097 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCSC[C@@H]2c2nccs2)CCC1 ZINC001334795356 1054199226 /nfs/dbraw/zinc/19/92/26/1054199226.db2.gz YINDCVRIFRDOIO-CQSZACIVSA-N 1 2 321.515 4.097 20 30 DIEDLO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)cc(C)c1OCc1ccccc1 ZINC001233329299 1054231035 /nfs/dbraw/zinc/23/10/35/1054231035.db2.gz PISFRCQMNHCJJI-LJQANCHMSA-N 1 2 320.436 4.228 20 30 DIEDLO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)cc(C)c1OCc1ccccc1 ZINC001233329299 1054231047 /nfs/dbraw/zinc/23/10/47/1054231047.db2.gz PISFRCQMNHCJJI-LJQANCHMSA-N 1 2 320.436 4.228 20 30 DIEDLO N#CCC[N@@H+](Cc1c(O)ccc(F)c1F)C1CCCCCCC1 ZINC001233334554 1054234909 /nfs/dbraw/zinc/23/49/09/1054234909.db2.gz LLPLKVNORFRDOE-UHFFFAOYSA-N 1 2 322.399 4.499 20 30 DIEDLO N#CCC[N@H+](Cc1c(O)ccc(F)c1F)C1CCCCCCC1 ZINC001233334554 1054234922 /nfs/dbraw/zinc/23/49/22/1054234922.db2.gz LLPLKVNORFRDOE-UHFFFAOYSA-N 1 2 322.399 4.499 20 30 DIEDLO C#CC[N@H+](CC1CC1)Cn1c(=S)scc1-c1ccccc1 ZINC001341076623 1054376564 /nfs/dbraw/zinc/37/65/64/1054376564.db2.gz KNCPYXCGCPUNQA-UHFFFAOYSA-N 1 2 314.479 4.249 20 30 DIEDLO C#CC[N@@H+](CC1CC1)Cn1c(=S)scc1-c1ccccc1 ZINC001341076623 1054376578 /nfs/dbraw/zinc/37/65/78/1054376578.db2.gz KNCPYXCGCPUNQA-UHFFFAOYSA-N 1 2 314.479 4.249 20 30 DIEDLO C=C[C@H](CC)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001357127844 1054422052 /nfs/dbraw/zinc/42/20/52/1054422052.db2.gz BQEVUXAHHOBTNG-OAHLLOKOSA-N 1 2 323.440 4.427 20 30 DIEDLO CCCCCCC[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001358227493 1054631538 /nfs/dbraw/zinc/63/15/38/1054631538.db2.gz AKLAPCCWIVQPNU-OAHLLOKOSA-N 1 2 315.461 4.369 20 30 DIEDLO C=CC[N@H+](Cc1cc(Br)cc(F)c1O)C(C)(C)C ZINC001235066678 1054651688 /nfs/dbraw/zinc/65/16/88/1054651688.db2.gz LXNKHQABYYJEIK-UHFFFAOYSA-N 1 2 316.214 4.080 20 30 DIEDLO C=CC[N@@H+](Cc1cc(Br)cc(F)c1O)C(C)(C)C ZINC001235066678 1054651692 /nfs/dbraw/zinc/65/16/92/1054651692.db2.gz LXNKHQABYYJEIK-UHFFFAOYSA-N 1 2 316.214 4.080 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc2c(cccc2Br)[nH]1 ZINC001235220824 1054684675 /nfs/dbraw/zinc/68/46/75/1054684675.db2.gz PLWGLVDOVRBTPX-UHFFFAOYSA-N 1 2 320.234 4.056 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc2c(cccc2Br)[nH]1 ZINC001235220824 1054684681 /nfs/dbraw/zinc/68/46/81/1054684681.db2.gz PLWGLVDOVRBTPX-UHFFFAOYSA-N 1 2 320.234 4.056 20 30 DIEDLO CCCCCCCCCCC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001454533460 1054772176 /nfs/dbraw/zinc/77/21/76/1054772176.db2.gz FKUUKAHYDZPLCR-UHFFFAOYSA-N 1 2 317.477 4.079 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235769318 1054804386 /nfs/dbraw/zinc/80/43/86/1054804386.db2.gz NEDXCNAMHYRANH-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235769318 1054804399 /nfs/dbraw/zinc/80/43/99/1054804399.db2.gz NEDXCNAMHYRANH-UHFFFAOYSA-N 1 2 312.388 4.140 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc3sccc3nc2Cl)C1 ZINC001236866274 1055296181 /nfs/dbraw/zinc/29/61/81/1055296181.db2.gz FKUSDBVBVCOUMC-NSHDSACASA-N 1 2 305.834 4.075 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc3sccc3nc2Cl)C1 ZINC001236866274 1055296190 /nfs/dbraw/zinc/29/61/90/1055296190.db2.gz FKUSDBVBVCOUMC-NSHDSACASA-N 1 2 305.834 4.075 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc3sccc3nc2Cl)C1 ZINC001236866272 1055296729 /nfs/dbraw/zinc/29/67/29/1055296729.db2.gz FKUSDBVBVCOUMC-LLVKDONJSA-N 1 2 305.834 4.075 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc3sccc3nc2Cl)C1 ZINC001236866272 1055296737 /nfs/dbraw/zinc/29/67/37/1055296737.db2.gz FKUSDBVBVCOUMC-LLVKDONJSA-N 1 2 305.834 4.075 20 30 DIEDLO Cc1c(CNc2[nH+]cccc2CC#N)cccc1C(F)(F)F ZINC001168537932 1055341061 /nfs/dbraw/zinc/34/10/61/1055341061.db2.gz YIMWYBDJHWWDHL-UHFFFAOYSA-N 1 2 305.303 4.087 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237025577 1055341754 /nfs/dbraw/zinc/34/17/54/1055341754.db2.gz FBEVVZNCFBMUCM-GOSISDBHSA-N 1 2 311.816 4.138 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237025577 1055341770 /nfs/dbraw/zinc/34/17/70/1055341770.db2.gz FBEVVZNCFBMUCM-GOSISDBHSA-N 1 2 311.816 4.138 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(O)ccc(Cl)c1Cl ZINC001237080960 1055365166 /nfs/dbraw/zinc/36/51/66/1055365166.db2.gz ISSWBXMUKBEKHI-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(O)ccc(Cl)c1Cl ZINC001237080960 1055365181 /nfs/dbraw/zinc/36/51/81/1055365181.db2.gz ISSWBXMUKBEKHI-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO CC[N@H+](Cc1ccnc(C#N)c1)Cc1ccc(Cl)cc1Cl ZINC001237469347 1055459118 /nfs/dbraw/zinc/45/91/18/1055459118.db2.gz SFZXCHZZCRRFRS-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO CC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccc(Cl)cc1Cl ZINC001237469347 1055459125 /nfs/dbraw/zinc/45/91/25/1055459125.db2.gz SFZXCHZZCRRFRS-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237530530 1055468786 /nfs/dbraw/zinc/46/87/86/1055468786.db2.gz PZXAETWJUWPSQY-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237530530 1055468795 /nfs/dbraw/zinc/46/87/95/1055468795.db2.gz PZXAETWJUWPSQY-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237530531 1055469638 /nfs/dbraw/zinc/46/96/38/1055469638.db2.gz PZXAETWJUWPSQY-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237530531 1055469642 /nfs/dbraw/zinc/46/96/42/1055469642.db2.gz PZXAETWJUWPSQY-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO C=CC[N@@H+](Cc1scnc1Br)C1CCCCC1 ZINC001238041289 1055591191 /nfs/dbraw/zinc/59/11/91/1055591191.db2.gz PYPWDYGLDJEKIR-UHFFFAOYSA-N 1 2 315.280 4.226 20 30 DIEDLO C=CC[N@H+](Cc1scnc1Br)C1CCCCC1 ZINC001238041289 1055591203 /nfs/dbraw/zinc/59/12/03/1055591203.db2.gz PYPWDYGLDJEKIR-UHFFFAOYSA-N 1 2 315.280 4.226 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238066975 1055598094 /nfs/dbraw/zinc/59/80/94/1055598094.db2.gz CFGYJEPMGZLZBR-HXUWFJFHSA-N 1 2 312.457 4.381 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238066975 1055598105 /nfs/dbraw/zinc/59/81/05/1055598105.db2.gz CFGYJEPMGZLZBR-HXUWFJFHSA-N 1 2 312.457 4.381 20 30 DIEDLO N#CCC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2F)CC1 ZINC001238252838 1055630171 /nfs/dbraw/zinc/63/01/71/1055630171.db2.gz NIQPPIOBEMCUSM-UHFFFAOYSA-N 1 2 318.289 4.109 20 30 DIEDLO CC(C)Oc1c(F)cccc1C[N@H+](CCC#N)C1CCCC1 ZINC001238318016 1055639124 /nfs/dbraw/zinc/63/91/24/1055639124.db2.gz CXFCHFMEVLCFOC-UHFFFAOYSA-N 1 2 304.409 4.271 20 30 DIEDLO CC(C)Oc1c(F)cccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001238318016 1055639129 /nfs/dbraw/zinc/63/91/29/1055639129.db2.gz CXFCHFMEVLCFOC-UHFFFAOYSA-N 1 2 304.409 4.271 20 30 DIEDLO CC(C)Oc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)ccc1F ZINC001238454051 1055663664 /nfs/dbraw/zinc/66/36/64/1055663664.db2.gz IVVSJVISEKRPFP-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)ccc1F ZINC001238454051 1055663672 /nfs/dbraw/zinc/66/36/72/1055663672.db2.gz IVVSJVISEKRPFP-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO C=C[C@H](CC)CC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001539989678 1055948863 /nfs/dbraw/zinc/94/88/63/1055948863.db2.gz IEFMLZHCBKQYDI-OAHLLOKOSA-N 1 2 324.424 4.394 20 30 DIEDLO C=C[C@@H](CC)CC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001539989677 1055949170 /nfs/dbraw/zinc/94/91/70/1055949170.db2.gz IEFMLZHCBKQYDI-HNNXBMFYSA-N 1 2 324.424 4.394 20 30 DIEDLO N#Cc1cc(CNc2ccc(Nc3ccccc3)c[nH+]2)cs1 ZINC001621013053 1055978437 /nfs/dbraw/zinc/97/84/37/1055978437.db2.gz OPIKTDFFUMVZHZ-UHFFFAOYSA-N 1 2 306.394 4.370 20 30 DIEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1OCC ZINC001621323904 1056031443 /nfs/dbraw/zinc/03/14/43/1056031443.db2.gz UMIURCHSRWIDHA-UHFFFAOYSA-N 1 2 313.828 4.374 20 30 DIEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1OCC ZINC001621323904 1056031458 /nfs/dbraw/zinc/03/14/58/1056031458.db2.gz UMIURCHSRWIDHA-UHFFFAOYSA-N 1 2 313.828 4.374 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc2ccccc2s1 ZINC000765812527 1056154895 /nfs/dbraw/zinc/15/48/95/1056154895.db2.gz JUJVKJNOIPUIDN-NSHDSACASA-N 1 2 311.385 4.158 20 30 DIEDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1cc(C#N)nc(C)n1 ZINC001612135576 1056245287 /nfs/dbraw/zinc/24/52/87/1056245287.db2.gz KFNQLWIZGJYGIV-AWEZNQCLSA-N 1 2 321.428 4.088 20 30 DIEDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1cc(C#N)nc(C)n1 ZINC001612135576 1056245302 /nfs/dbraw/zinc/24/53/02/1056245302.db2.gz KFNQLWIZGJYGIV-AWEZNQCLSA-N 1 2 321.428 4.088 20 30 DIEDLO Cc1nc(N[C@H]2CCCc3cc(C#N)ccc32)c2c([nH+]1)CCCC2 ZINC001612500934 1056299173 /nfs/dbraw/zinc/29/91/73/1056299173.db2.gz XFXXQXTWIIBSTQ-SFHVURJKSA-N 1 2 318.424 4.025 20 30 DIEDLO Cc1cc(Sc2nc3ccccc3n3c[nH+]cc23)ccc1C#N ZINC001612519521 1056300087 /nfs/dbraw/zinc/30/00/87/1056300087.db2.gz QKJLFOZBUHRUOJ-UHFFFAOYSA-N 1 2 316.389 4.214 20 30 DIEDLO C=C(C)c1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001616752783 1056711602 /nfs/dbraw/zinc/71/16/02/1056711602.db2.gz ZVPQSUDZHDIRJD-UHFFFAOYSA-N 1 2 317.392 4.217 20 30 DIEDLO N#Cc1ccccc1C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092850600 1057030692 /nfs/dbraw/zinc/03/06/92/1057030692.db2.gz KSAVNXRWYGYOJR-MRXNPFEDSA-N 1 2 322.305 4.481 20 30 DIEDLO CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cs1 ZINC000162647312 1057137922 /nfs/dbraw/zinc/13/79/22/1057137922.db2.gz NASDZOCLESBSIE-LLVKDONJSA-N 1 2 303.406 4.128 20 30 DIEDLO Cc1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)no1 ZINC000029728423 1057146565 /nfs/dbraw/zinc/14/65/65/1057146565.db2.gz BHBDPXLOZRWCOZ-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO Cc1cc(C[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)no1 ZINC000029728423 1057146570 /nfs/dbraw/zinc/14/65/70/1057146570.db2.gz BHBDPXLOZRWCOZ-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO CCCc1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000058397062 1057170315 /nfs/dbraw/zinc/17/03/15/1057170315.db2.gz GUZOAMZUXODVEE-UHFFFAOYSA-N 1 2 313.470 4.378 20 30 DIEDLO CCCc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000058397062 1057170320 /nfs/dbraw/zinc/17/03/20/1057170320.db2.gz GUZOAMZUXODVEE-UHFFFAOYSA-N 1 2 313.470 4.378 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cc(F)c(Cl)cc1Cl ZINC000174237797 1057354298 /nfs/dbraw/zinc/35/42/98/1057354298.db2.gz IUXJQJKHWRANAT-QMMMGPOBSA-N 1 2 313.159 4.448 20 30 DIEDLO C=CCC[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000676446514 1057473943 /nfs/dbraw/zinc/47/39/43/1057473943.db2.gz WYRGPARYYYRHOF-QGZVFWFLSA-N 1 2 320.396 4.163 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1cccc(C#N)c1 ZINC000611389123 1057594084 /nfs/dbraw/zinc/59/40/84/1057594084.db2.gz XHMZJNHGKZPLFY-GFCCVEGCSA-N 1 2 309.394 4.126 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nnc(-c2cccs2)o1 ZINC000611387908 1057594691 /nfs/dbraw/zinc/59/46/91/1057594691.db2.gz HPRZCNHKYNOVPG-VXGBXAGGSA-N 1 2 324.409 4.082 20 30 DIEDLO Cc1ccc(-c2cnc(C[NH2+][C@@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000611388928 1057594739 /nfs/dbraw/zinc/59/47/39/1057594739.db2.gz NYOSFLSPAOHJCI-HNNXBMFYSA-N 1 2 317.392 4.373 20 30 DIEDLO C=C(Br)C[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC000730062470 1057701594 /nfs/dbraw/zinc/70/15/94/1057701594.db2.gz PPQICBHUQMSCOK-AWEZNQCLSA-N 1 2 310.235 4.131 20 30 DIEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC000730062470 1057701597 /nfs/dbraw/zinc/70/15/97/1057701597.db2.gz PPQICBHUQMSCOK-AWEZNQCLSA-N 1 2 310.235 4.131 20 30 DIEDLO CCc1cccc2c(CC/[NH+]=C/c3cc(OC)ccc3O)c[nH]c21 ZINC000731938241 1057761615 /nfs/dbraw/zinc/76/16/15/1057761615.db2.gz SJEFHSSYCCXMQZ-CIAFOILYSA-N 1 2 322.408 4.106 20 30 DIEDLO C=CC1CC[NH+](Cn2c3ccccc3n(C(F)F)c2=S)CC1 ZINC000732181192 1057769062 /nfs/dbraw/zinc/76/90/62/1057769062.db2.gz MYBSXJGBDPXLND-UHFFFAOYSA-N 1 2 323.412 4.423 20 30 DIEDLO C[N@@H+]1CCc2oc(-c3ccc(C4=CC[C@@H](C#N)CC4)cc3)nc2C1 ZINC001243793517 1057780847 /nfs/dbraw/zinc/78/08/47/1057780847.db2.gz LVRIFGNBPFZYQF-CQSZACIVSA-N 1 2 319.408 4.037 20 30 DIEDLO C[N@H+]1CCc2oc(-c3ccc(C4=CC[C@@H](C#N)CC4)cc3)nc2C1 ZINC001243793517 1057780850 /nfs/dbraw/zinc/78/08/50/1057780850.db2.gz LVRIFGNBPFZYQF-CQSZACIVSA-N 1 2 319.408 4.037 20 30 DIEDLO C[N@@H+]1CCc2oc(-c3ccc(C4=CC[C@H](C#N)CC4)cc3)nc2C1 ZINC001243793511 1057780991 /nfs/dbraw/zinc/78/09/91/1057780991.db2.gz LVRIFGNBPFZYQF-AWEZNQCLSA-N 1 2 319.408 4.037 20 30 DIEDLO C[N@H+]1CCc2oc(-c3ccc(C4=CC[C@H](C#N)CC4)cc3)nc2C1 ZINC001243793511 1057780992 /nfs/dbraw/zinc/78/09/92/1057780992.db2.gz LVRIFGNBPFZYQF-AWEZNQCLSA-N 1 2 319.408 4.037 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(C3(C#N)CC3)c2)cc1C#N ZINC001244076783 1057860298 /nfs/dbraw/zinc/86/02/98/1057860298.db2.gz OAFWQBKKFOJMQT-OEAKJJBVSA-N 1 2 314.392 4.002 20 30 DIEDLO Cc1cc2cc(-c3ccc(/[NH+]=C/N(C)C)c(C#N)c3)ccc2[nH]1 ZINC001244243167 1057907732 /nfs/dbraw/zinc/90/77/32/1057907732.db2.gz NYTAKLLCBRCROD-CIAFOILYSA-N 1 2 302.381 4.236 20 30 DIEDLO CCOc1cc(C)c(C)cc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001245026434 1058097090 /nfs/dbraw/zinc/09/70/90/1058097090.db2.gz PUAGZFLVCFSUOT-LPYMAVHISA-N 1 2 321.424 4.462 20 30 DIEDLO C=CCCCCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001527714020 1058214668 /nfs/dbraw/zinc/21/46/68/1058214668.db2.gz AWJMRQXPTYIGSE-UHFFFAOYSA-N 1 2 313.445 4.289 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(-c3ncco3)cc2)cc1C#N ZINC001245622238 1058295006 /nfs/dbraw/zinc/29/50/06/1058295006.db2.gz RXPJRXJSCBDOSO-LPYMAVHISA-N 1 2 316.364 4.102 20 30 DIEDLO C=C[C@H](CC)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001519380787 1058424411 /nfs/dbraw/zinc/42/44/11/1058424411.db2.gz LYLDMZQWNJFTDL-GFCCVEGCSA-N 1 2 303.793 4.067 20 30 DIEDLO C=CCCc1ccccc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001530114507 1058948943 /nfs/dbraw/zinc/94/89/43/1058948943.db2.gz CQOCKIMBRINQSA-UHFFFAOYSA-N 1 2 305.381 4.014 20 30 DIEDLO CCc1cc(N[C@H](CCCC#N)c2ccccc2)nc(CC)[nH+]1 ZINC001559199728 1059081920 /nfs/dbraw/zinc/08/19/20/1059081920.db2.gz FGWWTPTVTWUHOD-QGZVFWFLSA-N 1 2 308.429 4.448 20 30 DIEDLO Cc1cc(C)c(CNc2c(C#N)cnc3c(Cl)cccc32)c[nH+]1 ZINC001559211731 1059091118 /nfs/dbraw/zinc/09/11/18/1059091118.db2.gz WPAFCTASYPHLPF-UHFFFAOYSA-N 1 2 322.799 4.384 20 30 DIEDLO C=CC[N@@H+](Cc1cc(C(F)(F)F)co1)Cc1cccc(C#N)c1 ZINC001559508059 1059301847 /nfs/dbraw/zinc/30/18/47/1059301847.db2.gz HSAKIUVZMAVPST-UHFFFAOYSA-N 1 2 320.314 4.358 20 30 DIEDLO C=CC[N@H+](Cc1cc(C(F)(F)F)co1)Cc1cccc(C#N)c1 ZINC001559508059 1059301865 /nfs/dbraw/zinc/30/18/65/1059301865.db2.gz HSAKIUVZMAVPST-UHFFFAOYSA-N 1 2 320.314 4.358 20 30 DIEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](CCC#N)CCC(C)C ZINC001559577995 1059411900 /nfs/dbraw/zinc/41/19/00/1059411900.db2.gz GDQNJJSSPOBUPE-UHFFFAOYSA-N 1 2 311.429 4.412 20 30 DIEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](CCC#N)CCC(C)C ZINC001559577995 1059411912 /nfs/dbraw/zinc/41/19/12/1059411912.db2.gz GDQNJJSSPOBUPE-UHFFFAOYSA-N 1 2 311.429 4.412 20 30 DIEDLO Clc1ccc(C#CC[N@@H+]2CCOC3(C2)CCCCCC3)cc1 ZINC001559595262 1059429557 /nfs/dbraw/zinc/42/95/57/1059429557.db2.gz CAAIPKDOKYIPQA-UHFFFAOYSA-N 1 2 317.860 4.117 20 30 DIEDLO Clc1ccc(C#CC[N@H+]2CCOC3(C2)CCCCCC3)cc1 ZINC001559595262 1059429569 /nfs/dbraw/zinc/42/95/69/1059429569.db2.gz CAAIPKDOKYIPQA-UHFFFAOYSA-N 1 2 317.860 4.117 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCn3c(cc4ccccc43)C2)CCC1 ZINC001559872130 1059692001 /nfs/dbraw/zinc/69/20/01/1059692001.db2.gz NCNVIYYKFSYKJH-UHFFFAOYSA-N 1 2 307.441 4.321 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCn3c(cc4ccccc43)C2)CCC1 ZINC001559872130 1059692012 /nfs/dbraw/zinc/69/20/12/1059692012.db2.gz NCNVIYYKFSYKJH-UHFFFAOYSA-N 1 2 307.441 4.321 20 30 DIEDLO FC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC001560086566 1059898634 /nfs/dbraw/zinc/89/86/34/1059898634.db2.gz IERHTQPBDWPVIQ-QGZVFWFLSA-N 1 2 305.755 4.131 20 30 DIEDLO C#CC[N@@H+](Cc1cnc(Cl)s1)[C@H]1CCCc2ccccc21 ZINC001560171673 1059967407 /nfs/dbraw/zinc/96/74/07/1059967407.db2.gz BPHITUGBOHKDQL-INIZCTEOSA-N 1 2 316.857 4.309 20 30 DIEDLO C#CC[N@H+](Cc1cnc(Cl)s1)[C@H]1CCCc2ccccc21 ZINC001560171673 1059967426 /nfs/dbraw/zinc/96/74/26/1059967426.db2.gz BPHITUGBOHKDQL-INIZCTEOSA-N 1 2 316.857 4.309 20 30 DIEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC001560209304 1059987760 /nfs/dbraw/zinc/98/77/60/1059987760.db2.gz MFDFWOCEYYTRHP-CYBMUJFWSA-N 1 2 316.857 4.451 20 30 DIEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC001560209304 1059987777 /nfs/dbraw/zinc/98/77/77/1059987777.db2.gz MFDFWOCEYYTRHP-CYBMUJFWSA-N 1 2 316.857 4.451 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cnc2ccccc2c1Cl ZINC001248813860 1059992767 /nfs/dbraw/zinc/99/27/67/1059992767.db2.gz OOOYGTQWOUAWRZ-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cnc2ccccc2c1Cl ZINC001248813860 1059992787 /nfs/dbraw/zinc/99/27/87/1059992787.db2.gz OOOYGTQWOUAWRZ-UHFFFAOYSA-N 1 2 321.811 4.392 20 30 DIEDLO CCCCCCC[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001526299803 1060183335 /nfs/dbraw/zinc/18/33/35/1060183335.db2.gz PPYILTSSYRBRKN-HNNXBMFYSA-N 1 2 301.434 4.061 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[NH2+]CC(F)(F)c1ccccc1 ZINC001560491782 1060285303 /nfs/dbraw/zinc/28/53/03/1060285303.db2.gz YWOHMSRUZVWFRV-UHFFFAOYSA-N 1 2 300.352 4.057 20 30 DIEDLO CCCCCCCNC(=S)Nc1ccccc1-n1cc[nH+]c1 ZINC001249626445 1060317525 /nfs/dbraw/zinc/31/75/25/1060317525.db2.gz PANRDVLQNQUCKP-UHFFFAOYSA-N 1 2 316.474 4.129 20 30 DIEDLO CCCCCCCNC(=S)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001249640236 1060325192 /nfs/dbraw/zinc/32/51/92/1060325192.db2.gz CSLMDLYGEZCALS-UHFFFAOYSA-N 1 2 316.474 4.129 20 30 DIEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC(C)(CC)CC1)C(=O)OCC ZINC001462505275 1061217284 /nfs/dbraw/zinc/21/72/84/1061217284.db2.gz MLAJTXYCUAFXFX-NPCAHTBFSA-N 1 2 301.858 4.009 20 30 DIEDLO N#Cc1c(F)cccc1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC001462552590 1061256483 /nfs/dbraw/zinc/25/64/83/1061256483.db2.gz GUPKYZQKKVFLQR-UHFFFAOYSA-N 1 2 314.307 4.067 20 30 DIEDLO Cc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc(C2CCC2)[nH+]1 ZINC001458359340 1061721886 /nfs/dbraw/zinc/72/18/86/1061721886.db2.gz WRVZNBBUJYKETI-QGZVFWFLSA-N 1 2 304.397 4.024 20 30 DIEDLO C=CCCCCCC[C@H](O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001253242575 1061841841 /nfs/dbraw/zinc/84/18/41/1061841841.db2.gz NJMBSTCNGOKGNU-IBGZPJMESA-N 1 2 313.445 4.172 20 30 DIEDLO CCCCCCCC[C@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001465976272 1061853902 /nfs/dbraw/zinc/85/39/02/1061853902.db2.gz LVMMBTXMFCACEP-INIZCTEOSA-N 1 2 315.461 4.337 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)c1ccc(Cl)cc1F ZINC001474517122 1062200795 /nfs/dbraw/zinc/20/07/95/1062200795.db2.gz MUNSPKKADSPWQZ-KRWDZBQOSA-N 1 2 312.775 4.425 20 30 DIEDLO C=CC(C)(C)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001459620269 1062252954 /nfs/dbraw/zinc/25/29/54/1062252954.db2.gz UOYSKKWXHSJFOT-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(O)c1Cl ZINC001474591340 1062306559 /nfs/dbraw/zinc/30/65/59/1062306559.db2.gz GKKPAKHGMIKBAG-GFCCVEGCSA-N 1 2 300.789 4.110 20 30 DIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(O)c1Cl ZINC001474591340 1062306579 /nfs/dbraw/zinc/30/65/79/1062306579.db2.gz GKKPAKHGMIKBAG-GFCCVEGCSA-N 1 2 300.789 4.110 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]C1(c2ccccc2Br)CCC1 ZINC001255160390 1062345012 /nfs/dbraw/zinc/34/50/12/1062345012.db2.gz JFHCZRKKNLHUKQ-LBPRGKRZSA-N 1 2 307.235 4.110 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC001255149690 1062346176 /nfs/dbraw/zinc/34/61/76/1062346176.db2.gz LXKGLRJENOQOKO-KRWDZBQOSA-N 1 2 324.424 4.075 20 30 DIEDLO CC[C@@H](CC#N)[NH+]1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC001255178209 1062353977 /nfs/dbraw/zinc/35/39/77/1062353977.db2.gz CPECBZCJCQDHSG-FQEVSTJZSA-N 1 2 319.452 4.168 20 30 DIEDLO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(Cl)c1O ZINC001474716834 1062442645 /nfs/dbraw/zinc/44/26/45/1062442645.db2.gz VBBCWMLKGYGQTA-UHFFFAOYSA-N 1 2 314.816 4.028 20 30 DIEDLO CCCCCCC[C@H](C)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC001477550701 1062907480 /nfs/dbraw/zinc/90/74/80/1062907480.db2.gz CIEWPXUXHCWXBF-HNNXBMFYSA-N 1 2 319.493 4.494 20 30 DIEDLO C#CCOc1cccc(Cl)c1CNc1ccc([NH+](C)C)cc1 ZINC001461326191 1063420178 /nfs/dbraw/zinc/42/01/78/1063420178.db2.gz LBMMITOIJZRABG-UHFFFAOYSA-N 1 2 314.816 4.030 20 30 DIEDLO N#Cc1ccc(C[NH2+]Cc2csc(-c3cccs3)n2)s1 ZINC001461590779 1063600373 /nfs/dbraw/zinc/60/03/73/1063600373.db2.gz WZNMEZXDHOIZPL-UHFFFAOYSA-N 1 2 317.464 4.095 20 30 DIEDLO COc1ccc(CC[C@@H](C)[NH2+]C2(C#N)CCCCCC2)cc1 ZINC001258388541 1063631143 /nfs/dbraw/zinc/63/11/43/1063631143.db2.gz CEBUXEFFSKGWJS-MRXNPFEDSA-N 1 2 300.446 4.222 20 30 DIEDLO Cc1ccc2[nH+]c(NCc3ccc(C4(C#N)CC4)cc3)[nH]c2c1 ZINC001461710232 1063671988 /nfs/dbraw/zinc/67/19/88/1063671988.db2.gz PFVRQYUMGVZWJL-UHFFFAOYSA-N 1 2 302.381 4.039 20 30 DIEDLO CC(C)Oc1cc(Cl)c(C[NH2+]CC(C)(C)C#N)cc1Cl ZINC001461809586 1063728511 /nfs/dbraw/zinc/72/85/11/1063728511.db2.gz BAAYOZCRCJRSCG-UHFFFAOYSA-N 1 2 315.244 4.420 20 30 DIEDLO C[C@@H](C#N)C[NH2+]Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001461816000 1063733837 /nfs/dbraw/zinc/73/38/37/1063733837.db2.gz IFTWMPBGQVWIMM-NSHDSACASA-N 1 2 320.314 4.145 20 30 DIEDLO CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258709590 1063765520 /nfs/dbraw/zinc/76/55/20/1063765520.db2.gz LTMYLQVQTGWBRB-MSOLQXFVSA-N 1 2 315.482 4.062 20 30 DIEDLO CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258709590 1063765523 /nfs/dbraw/zinc/76/55/23/1063765523.db2.gz LTMYLQVQTGWBRB-MSOLQXFVSA-N 1 2 315.482 4.062 20 30 DIEDLO C=CC1(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC001264605933 1064115323 /nfs/dbraw/zinc/11/53/23/1064115323.db2.gz YDTQPXHDTRCDRM-UHFFFAOYSA-N 1 2 309.413 4.337 20 30 DIEDLO N#Cc1nc(Nc2ccc(NC3CCCC3)[nH+]c2)sc1Cl ZINC001306952070 1065217556 /nfs/dbraw/zinc/21/75/56/1065217556.db2.gz BOKMQRYGWABIML-UHFFFAOYSA-N 1 2 319.821 4.161 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c(Cl)c1 ZINC001307720199 1065584699 /nfs/dbraw/zinc/58/46/99/1065584699.db2.gz BKLMSEOGYBDLSC-GOSISDBHSA-N 1 2 314.791 4.282 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c(Cl)c1 ZINC001307720199 1065584712 /nfs/dbraw/zinc/58/47/12/1065584712.db2.gz BKLMSEOGYBDLSC-GOSISDBHSA-N 1 2 314.791 4.282 20 30 DIEDLO CCn1c[nH+]cc1CNc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001308429506 1065983158 /nfs/dbraw/zinc/98/31/58/1065983158.db2.gz AZJZRZXJNSYKIF-UHFFFAOYSA-N 1 2 318.380 4.179 20 30 DIEDLO Cc1[nH+]cc(CNc2ccc(CCC#N)cc2)n1-c1ccccc1 ZINC001308527286 1066046579 /nfs/dbraw/zinc/04/65/79/1066046579.db2.gz DJSMKSVEWQUNGN-UHFFFAOYSA-N 1 2 316.408 4.249 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1N ZINC001308589684 1066103052 /nfs/dbraw/zinc/10/30/52/1066103052.db2.gz RBJKSNGRYNXAHJ-UHFFFAOYSA-N 1 2 314.260 4.337 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1N ZINC001308589684 1066103054 /nfs/dbraw/zinc/10/30/54/1066103054.db2.gz RBJKSNGRYNXAHJ-UHFFFAOYSA-N 1 2 314.260 4.337 20 30 DIEDLO CCCCCCC[C@@H](C)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001310675077 1066550554 /nfs/dbraw/zinc/55/05/54/1066550554.db2.gz MPOBRQGLHVGVKE-OAHLLOKOSA-N 1 2 316.449 4.452 20 30 DIEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000559333462 332028991 /nfs/dbraw/zinc/02/89/91/332028991.db2.gz YAUWQKRJHQCFAX-UHFFFAOYSA-N 1 2 304.821 4.055 20 30 DIEDLO CCc1[nH+]c(C(C)C)ccc1Cn1nc(C#N)c2ccccc21 ZINC000518569677 332082331 /nfs/dbraw/zinc/08/23/31/332082331.db2.gz HABNXMVNTZEYIB-UHFFFAOYSA-N 1 2 304.397 4.037 20 30 DIEDLO N#CCC1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000556213377 332266906 /nfs/dbraw/zinc/26/69/06/332266906.db2.gz IPCCVPPNVTZRRE-UHFFFAOYSA-N 1 2 319.330 4.384 20 30 DIEDLO C=C(C)CN(CC)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115015917 332344916 /nfs/dbraw/zinc/34/49/16/332344916.db2.gz YXAFGVTWEYWAOV-UHFFFAOYSA-N 1 2 310.397 4.221 20 30 DIEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)c(Cl)c1 ZINC000352834960 332383503 /nfs/dbraw/zinc/38/35/03/332383503.db2.gz MVTWAGINEJFUBH-QMMMGPOBSA-N 1 2 312.225 4.172 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000174843182 333091491 /nfs/dbraw/zinc/09/14/91/333091491.db2.gz MJBDRKQLRRVVII-INIZCTEOSA-N 1 2 324.827 4.182 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000174843182 333091492 /nfs/dbraw/zinc/09/14/92/333091492.db2.gz MJBDRKQLRRVVII-INIZCTEOSA-N 1 2 324.827 4.182 20 30 DIEDLO N#CCC[N@@H+](CCCc1ccc(Cl)cc1)Cc1ccccn1 ZINC000174834539 333091627 /nfs/dbraw/zinc/09/16/27/333091627.db2.gz QZEJJCAZHQALNA-UHFFFAOYSA-N 1 2 313.832 4.083 20 30 DIEDLO N#CCC[N@H+](CCCc1ccc(Cl)cc1)Cc1ccccn1 ZINC000174834539 333091628 /nfs/dbraw/zinc/09/16/28/333091628.db2.gz QZEJJCAZHQALNA-UHFFFAOYSA-N 1 2 313.832 4.083 20 30 DIEDLO CCCCCCC[C@@H]([NH2+]Cc1ncn(C)n1)c1ccccc1 ZINC000179592756 333152914 /nfs/dbraw/zinc/15/29/14/333152914.db2.gz LCYOEKRZDSKYOM-QGZVFWFLSA-N 1 2 300.450 4.007 20 30 DIEDLO Cc1nc(C(F)(F)F)c(C[N@H+](CCC#N)CC(C)(C)C)s1 ZINC000183588138 333186130 /nfs/dbraw/zinc/18/61/30/333186130.db2.gz GWEGLNLUFMKFGY-UHFFFAOYSA-N 1 2 319.396 4.232 20 30 DIEDLO Cc1nc(C(F)(F)F)c(C[N@@H+](CCC#N)CC(C)(C)C)s1 ZINC000183588138 333186131 /nfs/dbraw/zinc/18/61/31/333186131.db2.gz GWEGLNLUFMKFGY-UHFFFAOYSA-N 1 2 319.396 4.232 20 30 DIEDLO N#C[C@@H]1CCC[C@@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000185741320 333213075 /nfs/dbraw/zinc/21/30/75/333213075.db2.gz JOSPYNZIBYLMHB-CRAIPNDOSA-N 1 2 320.440 4.381 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187877294 333239045 /nfs/dbraw/zinc/23/90/45/333239045.db2.gz GTPLFAKUBOOYJL-INIZCTEOSA-N 1 2 324.827 4.182 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187877294 333239047 /nfs/dbraw/zinc/23/90/47/333239047.db2.gz GTPLFAKUBOOYJL-INIZCTEOSA-N 1 2 324.827 4.182 20 30 DIEDLO Cc1oc(-c2ccsc2)nc1C[N@H+](CCC#N)CC(C)(C)C ZINC000111250546 333327941 /nfs/dbraw/zinc/32/79/41/333327941.db2.gz XTOBRXXJRMOBRK-UHFFFAOYSA-N 1 2 317.458 4.473 20 30 DIEDLO Cc1oc(-c2ccsc2)nc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250546 333327943 /nfs/dbraw/zinc/32/79/43/333327943.db2.gz XTOBRXXJRMOBRK-UHFFFAOYSA-N 1 2 317.458 4.473 20 30 DIEDLO N#CCC[N@@H+](CCCOc1ccc(Cl)cc1)Cc1ccco1 ZINC000531381526 333347755 /nfs/dbraw/zinc/34/77/55/333347755.db2.gz BDTWQEWGMRSGNT-UHFFFAOYSA-N 1 2 318.804 4.118 20 30 DIEDLO N#CCC[N@H+](CCCOc1ccc(Cl)cc1)Cc1ccco1 ZINC000531381526 333347756 /nfs/dbraw/zinc/34/77/56/333347756.db2.gz BDTWQEWGMRSGNT-UHFFFAOYSA-N 1 2 318.804 4.118 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccc(F)c(F)c1 ZINC000295783051 335137815 /nfs/dbraw/zinc/13/78/15/335137815.db2.gz QXXJMNUGQLWUSA-OAHLLOKOSA-N 1 2 323.412 4.347 20 30 DIEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000411162549 333639024 /nfs/dbraw/zinc/63/90/24/333639024.db2.gz GWSNDFBXPDEDIY-ZDUSSCGKSA-N 1 2 317.820 4.049 20 30 DIEDLO COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272573577 334037404 /nfs/dbraw/zinc/03/74/04/334037404.db2.gz WPYQHOIVWZOQEB-UHFFFAOYSA-N 1 2 313.228 4.128 20 30 DIEDLO N#CCC[N@H+](CCCCCOc1ccccc1)Cc1ccccn1 ZINC000275648164 334072579 /nfs/dbraw/zinc/07/25/79/334072579.db2.gz BWHAWMCMPXLXSZ-UHFFFAOYSA-N 1 2 323.440 4.047 20 30 DIEDLO N#CCC[N@@H+](CCCCCOc1ccccc1)Cc1ccccn1 ZINC000275648164 334072580 /nfs/dbraw/zinc/07/25/80/334072580.db2.gz BWHAWMCMPXLXSZ-UHFFFAOYSA-N 1 2 323.440 4.047 20 30 DIEDLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)C[C@H](C)C#N ZINC000298650883 334250383 /nfs/dbraw/zinc/25/03/83/334250383.db2.gz SGBXIYFDMBLQQB-HZPDHXFCSA-N 1 2 321.424 4.091 20 30 DIEDLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)C[C@H](C)C#N ZINC000298650883 334250385 /nfs/dbraw/zinc/25/03/85/334250385.db2.gz SGBXIYFDMBLQQB-HZPDHXFCSA-N 1 2 321.424 4.091 20 30 DIEDLO Cc1sc([C@H](C)[NH2+]CCC#N)nc1-c1ccc(Cl)cc1 ZINC000298712911 334250827 /nfs/dbraw/zinc/25/08/27/334250827.db2.gz AMXAXXGKXHIQTQ-JTQLQIEISA-N 1 2 305.834 4.336 20 30 DIEDLO C=C(C)CN(CC)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112211487 334373886 /nfs/dbraw/zinc/37/38/86/334373886.db2.gz TUFTZUGSKUTPHU-UHFFFAOYSA-N 1 2 311.385 4.304 20 30 DIEDLO N#Cc1cccc(C2([NH2+]Cc3csc(-c4ccoc4)n3)CC2)c1 ZINC000341969712 334498407 /nfs/dbraw/zinc/49/84/07/334498407.db2.gz NUDKWUDIIXPCOV-UHFFFAOYSA-N 1 2 321.405 4.054 20 30 DIEDLO N#CCc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000342443855 334541844 /nfs/dbraw/zinc/54/18/44/334541844.db2.gz VNOBDZNOBILSHK-SFHVURJKSA-N 1 2 319.433 4.088 20 30 DIEDLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328878384 334762888 /nfs/dbraw/zinc/76/28/88/334762888.db2.gz UPGYIGVQXIAIPZ-ARFHVFGLSA-N 1 2 301.434 4.057 20 30 DIEDLO CC[C@H](C)C[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000331157964 334840884 /nfs/dbraw/zinc/84/08/84/334840884.db2.gz DXILRZLBNOVXMH-JYJNAYRXSA-N 1 2 320.481 4.169 20 30 DIEDLO CC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1c(C)noc1C ZINC000331352638 334857804 /nfs/dbraw/zinc/85/78/04/334857804.db2.gz ZNKGJWMAHFGRDO-CQSZACIVSA-N 1 2 316.405 4.089 20 30 DIEDLO C=CCN(CC1CCCCC1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344466728 335251140 /nfs/dbraw/zinc/25/11/40/335251140.db2.gz SKBRJPDQYRMASO-UHFFFAOYSA-N 1 2 323.440 4.081 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000444668998 338480692 /nfs/dbraw/zinc/48/06/92/338480692.db2.gz FWNJPMAMENHUOY-UHFFFAOYSA-N 1 2 303.475 4.316 20 30 DIEDLO Cc1csc(C2([NH2+]CC(=O)NC3CCCCCC3)CCC2)n1 ZINC000329761302 336079109 /nfs/dbraw/zinc/07/91/09/336079109.db2.gz RFXUINNWIRRYBK-UHFFFAOYSA-N 1 2 321.490 4.100 20 30 DIEDLO C[N@H+](Cc1cccc2c1OC(C)(C)C2)Cc1cc(C#N)ccc1F ZINC000532501570 336252328 /nfs/dbraw/zinc/25/23/28/336252328.db2.gz XBHYSHAWYBRDGR-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO C[N@@H+](Cc1cccc2c1OC(C)(C)C2)Cc1cc(C#N)ccc1F ZINC000532501570 336252329 /nfs/dbraw/zinc/25/23/29/336252329.db2.gz XBHYSHAWYBRDGR-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000192790138 336261817 /nfs/dbraw/zinc/26/18/17/336261817.db2.gz MEQAPJNCQYLYNO-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO Cc1cc(C)c2ncc(C#N)c(NCCc3ccc(C)[nH+]c3)c2c1 ZINC000301544080 336313704 /nfs/dbraw/zinc/31/37/04/336313704.db2.gz CZAGNBIFWYCASG-UHFFFAOYSA-N 1 2 316.408 4.081 20 30 DIEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1snc(Cl)c1C#N ZINC000301925302 336338309 /nfs/dbraw/zinc/33/83/09/336338309.db2.gz ITJNMDJMUIDQKI-UHFFFAOYSA-N 1 2 318.833 4.320 20 30 DIEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1c(C#N)cccc1C#N ZINC000302846860 336371750 /nfs/dbraw/zinc/37/17/50/336371750.db2.gz OIIQFKSKUUKFMU-UHFFFAOYSA-N 1 2 302.381 4.082 20 30 DIEDLO N#Cc1ccc(SCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000358540410 336633820 /nfs/dbraw/zinc/63/38/20/336633820.db2.gz KPDYQQGWXGLVJV-UHFFFAOYSA-N 1 2 309.369 4.175 20 30 DIEDLO C=CCOCCCSCc1ccc(-n2cc[nH+]c2)cc1C ZINC000359132499 336659292 /nfs/dbraw/zinc/65/92/92/336659292.db2.gz VJJDYCLFLIAETP-UHFFFAOYSA-N 1 2 302.443 4.007 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccccc1 ZINC000360791275 336722292 /nfs/dbraw/zinc/72/22/92/336722292.db2.gz FECHVCPIQAFVNT-GOSISDBHSA-N 1 2 320.367 4.335 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000173935773 337137696 /nfs/dbraw/zinc/13/76/96/337137696.db2.gz HZTJKQGMKXVGJI-CQSZACIVSA-N 1 2 303.365 4.064 20 30 DIEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181039839 337179462 /nfs/dbraw/zinc/17/94/62/337179462.db2.gz RYFKVWPLYQXDMT-NSHDSACASA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181039839 337179463 /nfs/dbraw/zinc/17/94/63/337179463.db2.gz RYFKVWPLYQXDMT-NSHDSACASA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000181900950 337185277 /nfs/dbraw/zinc/18/52/77/337185277.db2.gz VRCADNWLEIRYMV-ZIAGYGMSSA-N 1 2 318.380 4.020 20 30 DIEDLO COc1ccc2nc(C[N@H+](CCC#N)CCC(C)C)sc2c1 ZINC000187114323 337262810 /nfs/dbraw/zinc/26/28/10/337262810.db2.gz SWKQNEZJAWVIJA-UHFFFAOYSA-N 1 2 317.458 4.067 20 30 DIEDLO COc1ccc2nc(C[N@@H+](CCC#N)CCC(C)C)sc2c1 ZINC000187114323 337262811 /nfs/dbraw/zinc/26/28/11/337262811.db2.gz SWKQNEZJAWVIJA-UHFFFAOYSA-N 1 2 317.458 4.067 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccccc1 ZINC000191461103 337297180 /nfs/dbraw/zinc/29/71/80/337297180.db2.gz MIVRNLBLHRVZPO-IBGZPJMESA-N 1 2 316.408 4.007 20 30 DIEDLO N#Cc1csc(C[N@@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC000191623942 337298058 /nfs/dbraw/zinc/29/80/58/337298058.db2.gz YXQYEWJEYIOARF-UHFFFAOYSA-N 1 2 304.365 4.063 20 30 DIEDLO N#Cc1csc(C[N@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC000191623942 337298059 /nfs/dbraw/zinc/29/80/59/337298059.db2.gz YXQYEWJEYIOARF-UHFFFAOYSA-N 1 2 304.365 4.063 20 30 DIEDLO CCSCc1cc[nH+]c(NCc2c(F)cc(C#N)cc2F)c1 ZINC000192753981 337307266 /nfs/dbraw/zinc/30/72/66/337307266.db2.gz JYRHPVDGBHYPIV-UHFFFAOYSA-N 1 2 319.380 4.097 20 30 DIEDLO COc1ccc2[nH+]c(C)cc(OCc3cccc(C#N)c3)c2c1 ZINC000217945491 337323576 /nfs/dbraw/zinc/32/35/76/337323576.db2.gz IDMCJPXEHQKUGJ-UHFFFAOYSA-N 1 2 304.349 4.003 20 30 DIEDLO C#CC[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000271714982 337645101 /nfs/dbraw/zinc/64/51/01/337645101.db2.gz OYRIUIQTHRVVCQ-GFCCVEGCSA-N 1 2 310.344 4.016 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000278761797 337667087 /nfs/dbraw/zinc/66/70/87/337667087.db2.gz XLVHIGAPNAIQNY-LBPRGKRZSA-N 1 2 310.344 4.016 20 30 DIEDLO N#Cc1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)c(F)c1 ZINC000532990132 337804377 /nfs/dbraw/zinc/80/43/77/337804377.db2.gz ZBRBUVGILGYDAF-UHFFFAOYSA-N 1 2 323.396 4.111 20 30 DIEDLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000537022870 337869010 /nfs/dbraw/zinc/86/90/10/337869010.db2.gz BIDLPNJPHVGSBX-CQSZACIVSA-N 1 2 312.388 4.335 20 30 DIEDLO C[C@@H](CC#N)Sc1ccccc1NCc1cn2ccccc2[nH+]1 ZINC000084492809 338002773 /nfs/dbraw/zinc/00/27/73/338002773.db2.gz QXTUJHSGCFMAGL-AWEZNQCLSA-N 1 2 322.437 4.341 20 30 DIEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)CC[C@@H]1C(F)(F)F ZINC000428964157 338066912 /nfs/dbraw/zinc/06/69/12/338066912.db2.gz GHAYXQSQFFAHGY-AWEZNQCLSA-N 1 2 314.326 4.108 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)CC[C@@H]1C(F)(F)F ZINC000428964157 338066913 /nfs/dbraw/zinc/06/69/13/338066913.db2.gz GHAYXQSQFFAHGY-AWEZNQCLSA-N 1 2 314.326 4.108 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2OC)cc1 ZINC000430087654 338095523 /nfs/dbraw/zinc/09/55/23/338095523.db2.gz DSGAWXCKRVVZOY-UHFFFAOYSA-N 1 2 306.409 4.264 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(-c2ccccc2OC)cc1 ZINC000430087654 338095524 /nfs/dbraw/zinc/09/55/24/338095524.db2.gz DSGAWXCKRVVZOY-UHFFFAOYSA-N 1 2 306.409 4.264 20 30 DIEDLO CC[C@H](C#N)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000436057394 338256954 /nfs/dbraw/zinc/25/69/54/338256954.db2.gz VSPDYRFUSHEUJS-GFCCVEGCSA-N 1 2 318.405 4.430 20 30 DIEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000437636607 338316823 /nfs/dbraw/zinc/31/68/23/338316823.db2.gz AYXLDHWKODLMHT-CQSZACIVSA-N 1 2 324.424 4.480 20 30 DIEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000437636607 338316824 /nfs/dbraw/zinc/31/68/24/338316824.db2.gz AYXLDHWKODLMHT-CQSZACIVSA-N 1 2 324.424 4.480 20 30 DIEDLO N#Cc1cc(NCc2c[nH+]cn2Cc2ccccc2)ccc1Cl ZINC000438312539 338339328 /nfs/dbraw/zinc/33/93/28/338339328.db2.gz JQYPBCXSSABTNG-UHFFFAOYSA-N 1 2 322.799 4.069 20 30 DIEDLO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1Cl)c1nccs1 ZINC000439434549 338369240 /nfs/dbraw/zinc/36/92/40/338369240.db2.gz DUGDJLBMXITHSK-OAHLLOKOSA-N 1 2 305.834 4.083 20 30 DIEDLO Cc1csc([C@H]([NH2+]Cc2ccc(C#N)cc2Cl)C2CC2)n1 ZINC000439453034 338370015 /nfs/dbraw/zinc/37/00/15/338370015.db2.gz OPQCPIYIPNSNQC-OAHLLOKOSA-N 1 2 317.845 4.218 20 30 DIEDLO C=CC[C@@H](CC)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000439488721 338371704 /nfs/dbraw/zinc/37/17/04/338371704.db2.gz ALIAAJQKYHPODM-CQSZACIVSA-N 1 2 311.385 4.350 20 30 DIEDLO C=CCCCC(=O)N(Cc1[nH]cc[nH+]1)c1cc(C)ccc1Cl ZINC000440886430 338399164 /nfs/dbraw/zinc/39/91/64/338399164.db2.gz KIBNLINQLWKZSW-UHFFFAOYSA-N 1 2 317.820 4.261 20 30 DIEDLO C=CCC[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000454705275 338870210 /nfs/dbraw/zinc/87/02/10/338870210.db2.gz XRVYVILVVMBWHU-LJQANCHMSA-N 1 2 323.440 4.205 20 30 DIEDLO Cc1cc(C)c(NC(=O)N[C@H](CCC#N)c2ccccc2)c(C)[nH+]1 ZINC000455501342 338896900 /nfs/dbraw/zinc/89/69/00/338896900.db2.gz UJWRHQQKGFXIQB-QGZVFWFLSA-N 1 2 322.412 4.173 20 30 DIEDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000459657008 339040964 /nfs/dbraw/zinc/04/09/64/339040964.db2.gz MICGFOFYCZAKPJ-ZDUSSCGKSA-N 1 2 314.816 4.380 20 30 DIEDLO CCCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000462846140 339093967 /nfs/dbraw/zinc/09/39/67/339093967.db2.gz TWIXDCMFWMDUDG-YOEHRIQHSA-N 1 2 316.445 4.109 20 30 DIEDLO CCCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000462846139 339094004 /nfs/dbraw/zinc/09/40/04/339094004.db2.gz TWIXDCMFWMDUDG-WMLDXEAASA-N 1 2 316.445 4.109 20 30 DIEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000464725251 339150000 /nfs/dbraw/zinc/15/00/00/339150000.db2.gz MMCJNDRZCZZQMJ-YJYMSZOUSA-N 1 2 312.363 4.420 20 30 DIEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000464725251 339150001 /nfs/dbraw/zinc/15/00/01/339150001.db2.gz MMCJNDRZCZZQMJ-YJYMSZOUSA-N 1 2 312.363 4.420 20 30 DIEDLO C=C1CC[NH+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000466725799 339214401 /nfs/dbraw/zinc/21/44/01/339214401.db2.gz ZEXWBRAKYMIRBH-LBPRGKRZSA-N 1 2 303.793 4.103 20 30 DIEDLO C=CC[N@@H+](Cc1nc2ccc(F)cc2o1)Cc1ccccc1F ZINC000466820138 339218057 /nfs/dbraw/zinc/21/80/57/339218057.db2.gz XPVVTXGXVRNCMK-UHFFFAOYSA-N 1 2 314.335 4.294 20 30 DIEDLO C=CC[N@H+](Cc1nc2ccc(F)cc2o1)Cc1ccccc1F ZINC000466820138 339218058 /nfs/dbraw/zinc/21/80/58/339218058.db2.gz XPVVTXGXVRNCMK-UHFFFAOYSA-N 1 2 314.335 4.294 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)c1 ZINC000467549259 339241912 /nfs/dbraw/zinc/24/19/12/339241912.db2.gz XNDBCBPXVLWFHZ-UHFFFAOYSA-N 1 2 319.383 4.127 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)c1 ZINC000467549259 339241913 /nfs/dbraw/zinc/24/19/13/339241913.db2.gz XNDBCBPXVLWFHZ-UHFFFAOYSA-N 1 2 319.383 4.127 20 30 DIEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468115247 339254513 /nfs/dbraw/zinc/25/45/13/339254513.db2.gz MSQUGSXTLFSMQM-LLVKDONJSA-N 1 2 316.326 4.095 20 30 DIEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468115247 339254514 /nfs/dbraw/zinc/25/45/14/339254514.db2.gz MSQUGSXTLFSMQM-LLVKDONJSA-N 1 2 316.326 4.095 20 30 DIEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1ccc(C#N)cc1F ZINC000475986874 339466992 /nfs/dbraw/zinc/46/69/92/339466992.db2.gz DCGUASWCNZEEOW-UHFFFAOYSA-N 1 2 323.396 4.484 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(F)c(F)c1 ZINC000479406035 339533469 /nfs/dbraw/zinc/53/34/69/339533469.db2.gz ALGHYMOHDGXSQH-CQSZACIVSA-N 1 2 314.788 4.482 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cccc(O)c1OC)c1ccc(F)c(F)c1 ZINC000482504998 339633829 /nfs/dbraw/zinc/63/38/29/339633829.db2.gz NHEBNDXRXFBMQP-KRWDZBQOSA-N 1 2 319.351 4.086 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccc(F)cc1 ZINC000491637914 339870148 /nfs/dbraw/zinc/87/01/48/339870148.db2.gz XHKDIPQPXCPSBA-CQSZACIVSA-N 1 2 302.418 4.044 20 30 DIEDLO CC(C)(C#N)CC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000500056091 340049454 /nfs/dbraw/zinc/04/94/54/340049454.db2.gz CDRDSFHMDMUHMT-UHFFFAOYSA-N 1 2 324.428 4.489 20 30 DIEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000501269328 340077659 /nfs/dbraw/zinc/07/76/59/340077659.db2.gz OHLWBVLEDLBLJC-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000501269328 340077660 /nfs/dbraw/zinc/07/76/60/340077660.db2.gz OHLWBVLEDLBLJC-GFCCVEGCSA-N 1 2 316.351 4.038 20 30 DIEDLO CC(C)(C)[N@H+](Cc1ccccc1Br)CC1(C#N)CC1 ZINC000501534990 340082418 /nfs/dbraw/zinc/08/24/18/340082418.db2.gz VIVZKWOHGWFDLL-UHFFFAOYSA-N 1 2 321.262 4.353 20 30 DIEDLO CC(C)(C)[N@@H+](Cc1ccccc1Br)CC1(C#N)CC1 ZINC000501534990 340082419 /nfs/dbraw/zinc/08/24/19/340082419.db2.gz VIVZKWOHGWFDLL-UHFFFAOYSA-N 1 2 321.262 4.353 20 30 DIEDLO C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(C#N)cc1F ZINC000503197912 340122987 /nfs/dbraw/zinc/12/29/87/340122987.db2.gz JKZCNTAUIMDRHH-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000505058585 340160373 /nfs/dbraw/zinc/16/03/73/340160373.db2.gz XKAGTIOGWPOUCE-KRWDZBQOSA-N 1 2 324.428 4.287 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000506468901 340195208 /nfs/dbraw/zinc/19/52/08/340195208.db2.gz ZHLCOTYFGAZWBV-UHFFFAOYSA-N 1 2 308.425 4.310 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000506468901 340195209 /nfs/dbraw/zinc/19/52/09/340195209.db2.gz ZHLCOTYFGAZWBV-UHFFFAOYSA-N 1 2 308.425 4.310 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(O)c2Cl)C2CC2)cc1 ZINC000507153913 340209768 /nfs/dbraw/zinc/20/97/68/340209768.db2.gz GFMITSCHIQVFJO-UHFFFAOYSA-N 1 2 312.800 4.082 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2cccc(O)c2Cl)C2CC2)cc1 ZINC000507153913 340209769 /nfs/dbraw/zinc/20/97/69/340209769.db2.gz GFMITSCHIQVFJO-UHFFFAOYSA-N 1 2 312.800 4.082 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000507221599 340214346 /nfs/dbraw/zinc/21/43/46/340214346.db2.gz MBKHILHHEQNEMB-CYBMUJFWSA-N 1 2 324.815 4.052 20 30 DIEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000507221599 340214347 /nfs/dbraw/zinc/21/43/47/340214347.db2.gz MBKHILHHEQNEMB-CYBMUJFWSA-N 1 2 324.815 4.052 20 30 DIEDLO C=CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1 ZINC000508532251 340245778 /nfs/dbraw/zinc/24/57/78/340245778.db2.gz CVWSZPZRNCFCKN-UHFFFAOYSA-N 1 2 303.409 4.265 20 30 DIEDLO C=CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1 ZINC000508532251 340245779 /nfs/dbraw/zinc/24/57/79/340245779.db2.gz CVWSZPZRNCFCKN-UHFFFAOYSA-N 1 2 303.409 4.265 20 30 DIEDLO C=CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1 ZINC000508532251 340245780 /nfs/dbraw/zinc/24/57/80/340245780.db2.gz CVWSZPZRNCFCKN-UHFFFAOYSA-N 1 2 303.409 4.265 20 30 DIEDLO C=CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1 ZINC000508532251 340245781 /nfs/dbraw/zinc/24/57/81/340245781.db2.gz CVWSZPZRNCFCKN-UHFFFAOYSA-N 1 2 303.409 4.265 20 30 DIEDLO N#CC1(F)CC[NH+]([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000510939698 340315581 /nfs/dbraw/zinc/31/55/81/340315581.db2.gz YWCUXEQHVWBPCD-AWEZNQCLSA-N 1 2 313.203 4.308 20 30 DIEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511588896 340331762 /nfs/dbraw/zinc/33/17/62/340331762.db2.gz SWLBXHJANVNBLE-QGZVFWFLSA-N 1 2 312.800 4.167 20 30 DIEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511588896 340331763 /nfs/dbraw/zinc/33/17/63/340331763.db2.gz SWLBXHJANVNBLE-QGZVFWFLSA-N 1 2 312.800 4.167 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000511602715 340331879 /nfs/dbraw/zinc/33/18/79/340331879.db2.gz CETGAYFNCBMROF-KRWDZBQOSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000511602715 340331880 /nfs/dbraw/zinc/33/18/80/340331880.db2.gz CETGAYFNCBMROF-KRWDZBQOSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC000511599419 340331926 /nfs/dbraw/zinc/33/19/26/340331926.db2.gz ZEZXPTPVIASVSP-QGZVFWFLSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1cc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC000511599419 340331927 /nfs/dbraw/zinc/33/19/27/340331927.db2.gz ZEZXPTPVIASVSP-QGZVFWFLSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1F ZINC000511598381 340331983 /nfs/dbraw/zinc/33/19/83/340331983.db2.gz WXJZUYQRSYNMCD-INIZCTEOSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1F ZINC000511598381 340331984 /nfs/dbraw/zinc/33/19/84/340331984.db2.gz WXJZUYQRSYNMCD-INIZCTEOSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000511625698 340332916 /nfs/dbraw/zinc/33/29/16/340332916.db2.gz RVNJOLXWZDEBGF-QGZVFWFLSA-N 1 2 300.764 4.298 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000511625698 340332917 /nfs/dbraw/zinc/33/29/17/340332917.db2.gz RVNJOLXWZDEBGF-QGZVFWFLSA-N 1 2 300.764 4.298 20 30 DIEDLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(C#N)cc1F ZINC000512296705 340356162 /nfs/dbraw/zinc/35/61/62/340356162.db2.gz RVABZJFWHHPQNK-AWEZNQCLSA-N 1 2 324.403 4.256 20 30 DIEDLO N#Cc1cccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1F ZINC000512404382 340360698 /nfs/dbraw/zinc/36/06/98/340360698.db2.gz RXVUUYFSIUJJCD-UHFFFAOYSA-N 1 2 316.326 4.140 20 30 DIEDLO N#Cc1cccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1F ZINC000512404382 340360699 /nfs/dbraw/zinc/36/06/99/340360699.db2.gz RXVUUYFSIUJJCD-UHFFFAOYSA-N 1 2 316.326 4.140 20 30 DIEDLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(C#N)cc1F ZINC000512664772 340371876 /nfs/dbraw/zinc/37/18/76/340371876.db2.gz BHXUTZRESGEGGL-CQSZACIVSA-N 1 2 324.403 4.256 20 30 DIEDLO N#Cc1ccc(C[NH+]2Cc3ccccc3-c3ccccc3C2)o1 ZINC000513150266 340395264 /nfs/dbraw/zinc/39/52/64/340395264.db2.gz ORIWVKFEHUIJHM-UHFFFAOYSA-N 1 2 300.361 4.334 20 30 DIEDLO C=C1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000521744249 340530587 /nfs/dbraw/zinc/53/05/87/340530587.db2.gz RANBURDRMYOWCS-LJQANCHMSA-N 1 2 324.399 4.158 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)c1ccccc1 ZINC000130420054 341021302 /nfs/dbraw/zinc/02/13/02/341021302.db2.gz LCBPFQBWAHZVRN-QGZVFWFLSA-N 1 2 304.315 4.239 20 30 DIEDLO C=CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(NS(=O)(=O)CCCC)cc1 ZINC000543072236 341030567 /nfs/dbraw/zinc/03/05/67/341030567.db2.gz JRQIBVRXCGGBAZ-HUUCEWRRSA-N 1 2 324.490 4.241 20 30 DIEDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000543140153 341033914 /nfs/dbraw/zinc/03/39/14/341033914.db2.gz TUBBGLGHQOPPJG-ZDUSSCGKSA-N 1 2 300.352 4.224 20 30 DIEDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000543140153 341033915 /nfs/dbraw/zinc/03/39/15/341033915.db2.gz TUBBGLGHQOPPJG-ZDUSSCGKSA-N 1 2 300.352 4.224 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1nc2cc(F)ccc2o1 ZINC000132222067 341118649 /nfs/dbraw/zinc/11/86/49/341118649.db2.gz GIRRHODRWPBFRQ-UHFFFAOYSA-N 1 2 302.374 4.217 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1nc2cc(F)ccc2o1 ZINC000132222067 341118650 /nfs/dbraw/zinc/11/86/50/341118650.db2.gz GIRRHODRWPBFRQ-UHFFFAOYSA-N 1 2 302.374 4.217 20 30 DIEDLO N#CCc1cc[nH+]c(NCc2ccc(Oc3ccccc3)o2)c1 ZINC000545927858 341146688 /nfs/dbraw/zinc/14/66/88/341146688.db2.gz HJKDKTSKEDCXGL-UHFFFAOYSA-N 1 2 305.337 4.145 20 30 DIEDLO N#CCC[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)CC1CC1 ZINC000081043659 341278731 /nfs/dbraw/zinc/27/87/31/341278731.db2.gz LZCXKAQLCNYXHC-UHFFFAOYSA-N 1 2 315.804 4.121 20 30 DIEDLO N#CCC[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)CC1CC1 ZINC000081043659 341278732 /nfs/dbraw/zinc/27/87/32/341278732.db2.gz LZCXKAQLCNYXHC-UHFFFAOYSA-N 1 2 315.804 4.121 20 30 DIEDLO C[N@H+](CCC(F)(F)F)Cc1c(F)cccc1OC(F)(F)F ZINC000551805729 341352372 /nfs/dbraw/zinc/35/23/72/341352372.db2.gz CZULRQOJXRFRMD-UHFFFAOYSA-N 1 2 319.220 4.109 20 30 DIEDLO C[N@@H+](CCC(F)(F)F)Cc1c(F)cccc1OC(F)(F)F ZINC000551805729 341352373 /nfs/dbraw/zinc/35/23/73/341352373.db2.gz CZULRQOJXRFRMD-UHFFFAOYSA-N 1 2 319.220 4.109 20 30 DIEDLO C[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)CC(C)(C)C#N ZINC000552086141 341368564 /nfs/dbraw/zinc/36/85/64/341368564.db2.gz YWAGEMGNJBXCTK-UHFFFAOYSA-N 1 2 304.340 4.206 20 30 DIEDLO C[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)CC(C)(C)C#N ZINC000552086141 341368565 /nfs/dbraw/zinc/36/85/65/341368565.db2.gz YWAGEMGNJBXCTK-UHFFFAOYSA-N 1 2 304.340 4.206 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@H+](C)CC(C)(C)C#N ZINC000552316656 341386095 /nfs/dbraw/zinc/38/60/95/341386095.db2.gz IRVWTFUCZASFOT-UHFFFAOYSA-N 1 2 308.425 4.344 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000552316656 341386096 /nfs/dbraw/zinc/38/60/96/341386096.db2.gz IRVWTFUCZASFOT-UHFFFAOYSA-N 1 2 308.425 4.344 20 30 DIEDLO N#Cc1c(Cl)cccc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000552991148 341411885 /nfs/dbraw/zinc/41/18/85/341411885.db2.gz CUDFRQNUHHKJCP-UHFFFAOYSA-N 1 2 310.788 4.133 20 30 DIEDLO Fc1cc(F)c(CNc2cc(C(F)(F)F)cc[nH+]2)c(F)c1F ZINC000553231736 341421175 /nfs/dbraw/zinc/42/11/75/341421175.db2.gz BPNMYZSNMOBQBP-UHFFFAOYSA-N 1 2 324.199 4.269 20 30 DIEDLO CC(C)c1nc(N2CCC(CC#N)CC2)cc(C(C)(C)C)[nH+]1 ZINC000567670222 341626303 /nfs/dbraw/zinc/62/63/03/341626303.db2.gz CKKVZNSQPHNYGH-UHFFFAOYSA-N 1 2 300.450 4.028 20 30 DIEDLO C=CC[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccccc1 ZINC000577694715 341929557 /nfs/dbraw/zinc/92/95/57/341929557.db2.gz QEVSVFCOFDCTKQ-SFHVURJKSA-N 1 2 317.392 4.375 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000178756851 341963839 /nfs/dbraw/zinc/96/38/39/341963839.db2.gz CLJYCCPBTAKMMF-KRWDZBQOSA-N 1 2 324.815 4.122 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)o1 ZINC000160705526 526613893 /nfs/dbraw/zinc/61/38/93/526613893.db2.gz VKYAMQKTDOLDEG-HNNXBMFYSA-N 1 2 309.394 4.098 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)o1 ZINC000160705526 526613898 /nfs/dbraw/zinc/61/38/98/526613898.db2.gz VKYAMQKTDOLDEG-HNNXBMFYSA-N 1 2 309.394 4.098 20 30 DIEDLO CC[C@@H]1CO[C@](C)(CCC(C)C)N1c1[nH+]c(C)ccc1CC#N ZINC001167131565 1036160341 /nfs/dbraw/zinc/16/03/41/1036160341.db2.gz IJDZLDNELRVEOR-IEBWSBKVSA-N 1 2 315.461 4.224 20 30 DIEDLO CC[C@H]1CO[C@@](C)(CCC(C)C)N1c1[nH+]c(C)ccc1CC#N ZINC001167131564 1036161868 /nfs/dbraw/zinc/16/18/68/1036161868.db2.gz IJDZLDNELRVEOR-HKUYNNGSSA-N 1 2 315.461 4.224 20 30 DIEDLO C=CCOc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000236676572 1036303207 /nfs/dbraw/zinc/30/32/07/1036303207.db2.gz CBUHQNQEJHRWTI-UHFFFAOYSA-N 1 2 320.392 4.196 20 30 DIEDLO C=CCCCC[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001167301901 1036558141 /nfs/dbraw/zinc/55/81/41/1036558141.db2.gz BPEGLGKUFVDHIK-MRXNPFEDSA-N 1 2 324.262 4.179 20 30 DIEDLO C=CCCCC[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001167301901 1036558150 /nfs/dbraw/zinc/55/81/50/1036558150.db2.gz BPEGLGKUFVDHIK-MRXNPFEDSA-N 1 2 324.262 4.179 20 30 DIEDLO COc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)cc(C)[nH+]1 ZINC001210780197 1036963633 /nfs/dbraw/zinc/96/36/33/1036963633.db2.gz KIJJBINXBZSZRX-UHFFFAOYSA-N 1 2 307.275 4.033 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3c[nH]c4ccccc34)c[nH+]c12 ZINC000255266521 1037433140 /nfs/dbraw/zinc/43/31/40/1037433140.db2.gz FEIYOZXUZOEIJM-HJWRWDBZSA-N 1 2 301.349 4.020 20 30 DIEDLO N#CCC[N@H+](CCc1ccc2ccccc2c1)Cc1ccccn1 ZINC000348665347 1037607423 /nfs/dbraw/zinc/60/74/23/1037607423.db2.gz ZEXKREIDOPHDHN-UHFFFAOYSA-N 1 2 315.420 4.193 20 30 DIEDLO N#CCC[N@@H+](CCc1ccc2ccccc2c1)Cc1ccccn1 ZINC000348665347 1037607439 /nfs/dbraw/zinc/60/74/39/1037607439.db2.gz ZEXKREIDOPHDHN-UHFFFAOYSA-N 1 2 315.420 4.193 20 30 DIEDLO N#CC1CCC(Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000602574519 1038040107 /nfs/dbraw/zinc/04/01/07/1038040107.db2.gz AMWWRDMPJYGEJQ-UHFFFAOYSA-N 1 2 318.424 4.096 20 30 DIEDLO C[C@@H](CCC#N)C[N@@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000602634252 1038058643 /nfs/dbraw/zinc/05/86/43/1038058643.db2.gz LOCXWSLAGXFSNA-ZDUSSCGKSA-N 1 2 301.821 4.050 20 30 DIEDLO C[C@@H](CCC#N)C[N@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000602634252 1038058663 /nfs/dbraw/zinc/05/86/63/1038058663.db2.gz LOCXWSLAGXFSNA-ZDUSSCGKSA-N 1 2 301.821 4.050 20 30 DIEDLO C[C@H](CCC#N)C[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000602638041 1038058796 /nfs/dbraw/zinc/05/87/96/1038058796.db2.gz QVQHGMYEEFNZIQ-CYBMUJFWSA-N 1 2 301.821 4.050 20 30 DIEDLO C[C@H](CCC#N)C[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000602638041 1038058818 /nfs/dbraw/zinc/05/88/18/1038058818.db2.gz QVQHGMYEEFNZIQ-CYBMUJFWSA-N 1 2 301.821 4.050 20 30 DIEDLO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[C@@H]1C#N ZINC000602975961 1038118857 /nfs/dbraw/zinc/11/88/57/1038118857.db2.gz JGMWPGIKLVBXFN-DYVFJYSZSA-N 1 2 315.804 4.119 20 30 DIEDLO C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[C@@H]1C#N ZINC000602975961 1038118867 /nfs/dbraw/zinc/11/88/67/1038118867.db2.gz JGMWPGIKLVBXFN-DYVFJYSZSA-N 1 2 315.804 4.119 20 30 DIEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000341579898 1038145344 /nfs/dbraw/zinc/14/53/44/1038145344.db2.gz BGOFORGMHHHFBP-INIZCTEOSA-N 1 2 322.305 4.481 20 30 DIEDLO Cc1ccc2[nH+]c(CSc3ccc(Cl)cc3C#N)cn2c1 ZINC000610655244 1038240364 /nfs/dbraw/zinc/24/03/64/1038240364.db2.gz WKPBGKBSXDLMGA-UHFFFAOYSA-N 1 2 313.813 4.460 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1cc(Br)c(CC)s1 ZINC001232289061 1038252038 /nfs/dbraw/zinc/25/20/38/1038252038.db2.gz NGZIUTAYPROSFF-UHFFFAOYSA-N 1 2 315.280 4.199 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1cc(Br)c(CC)s1 ZINC001232289061 1038252051 /nfs/dbraw/zinc/25/20/51/1038252051.db2.gz NGZIUTAYPROSFF-UHFFFAOYSA-N 1 2 315.280 4.199 20 30 DIEDLO C[C@@H]1C[C@@H]1C[NH+](Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000603669562 1038263797 /nfs/dbraw/zinc/26/37/97/1038263797.db2.gz MWQIVWNNPKKJFF-IIBYNOLFSA-N 1 2 315.420 4.088 20 30 DIEDLO Cc1cc(Cl)ccc1C1=CC[N@H+](Cc2ccncc2C#N)CC1 ZINC000599620681 1038320201 /nfs/dbraw/zinc/32/02/01/1038320201.db2.gz ZSHMAFKFIDVVQI-UHFFFAOYSA-N 1 2 323.827 4.204 20 30 DIEDLO Cc1cc(Cl)ccc1C1=CC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000599620681 1038320213 /nfs/dbraw/zinc/32/02/13/1038320213.db2.gz ZSHMAFKFIDVVQI-UHFFFAOYSA-N 1 2 323.827 4.204 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2c[nH]c3cccc(C)c23)c1 ZINC000728437804 1038485215 /nfs/dbraw/zinc/48/52/15/1038485215.db2.gz JAFJHSJJGJJCQT-CIAFOILYSA-N 1 2 322.408 4.242 20 30 DIEDLO CC(C)(C)c1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)no1 ZINC000594033643 1038627301 /nfs/dbraw/zinc/62/73/01/1038627301.db2.gz WOSNBEQGLWYNEP-UHFFFAOYSA-N 1 2 309.413 4.013 20 30 DIEDLO C[C@H](CCc1ccccc1)C[N@H+](CCC#N)Cc1cccnc1 ZINC000342682212 1038719783 /nfs/dbraw/zinc/71/97/83/1038719783.db2.gz WGVTVFLORABCEE-GOSISDBHSA-N 1 2 307.441 4.066 20 30 DIEDLO C[C@H](CCc1ccccc1)C[N@@H+](CCC#N)Cc1cccnc1 ZINC000342682212 1038719790 /nfs/dbraw/zinc/71/97/90/1038719790.db2.gz WGVTVFLORABCEE-GOSISDBHSA-N 1 2 307.441 4.066 20 30 DIEDLO C=C[C@H](CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)c1ccccc1 ZINC000535380679 1039198045 /nfs/dbraw/zinc/19/80/45/1039198045.db2.gz AUWQZIFTCLPODX-CQSZACIVSA-N 1 2 305.381 4.170 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(Cl)cc2c1OCC2 ZINC000541222152 1039639053 /nfs/dbraw/zinc/63/90/53/1039639053.db2.gz PRFRZXNAHIYMQE-UHFFFAOYSA-N 1 2 306.837 4.037 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(Cl)cc2c1OCC2 ZINC000541222152 1039639072 /nfs/dbraw/zinc/63/90/72/1039639072.db2.gz PRFRZXNAHIYMQE-UHFFFAOYSA-N 1 2 306.837 4.037 20 30 DIEDLO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000271925508 1039898587 /nfs/dbraw/zinc/89/85/87/1039898587.db2.gz GGVDWDNLNWHZKQ-MNOVXSKESA-N 1 2 303.406 4.128 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000480502945 1039982453 /nfs/dbraw/zinc/98/24/53/1039982453.db2.gz XBCWWJFJQKALRR-UHFFFAOYSA-N 1 2 324.811 4.207 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000480502945 1039982467 /nfs/dbraw/zinc/98/24/67/1039982467.db2.gz XBCWWJFJQKALRR-UHFFFAOYSA-N 1 2 324.811 4.207 20 30 DIEDLO COc1ccc2[nH+]c(C)cc(OCc3ccc(CC#N)cc3)c2c1 ZINC000612018634 1040294802 /nfs/dbraw/zinc/29/48/02/1040294802.db2.gz ODXGFUNGBGWYFZ-UHFFFAOYSA-N 1 2 318.376 4.197 20 30 DIEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000612406435 1040583398 /nfs/dbraw/zinc/58/33/98/1040583398.db2.gz MCMIUDYUXKXRFX-GOSISDBHSA-N 1 2 316.351 4.350 20 30 DIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000612406435 1040583412 /nfs/dbraw/zinc/58/34/12/1040583412.db2.gz MCMIUDYUXKXRFX-GOSISDBHSA-N 1 2 316.351 4.350 20 30 DIEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000612406804 1040586528 /nfs/dbraw/zinc/58/65/28/1040586528.db2.gz UKNBQIFMWILTSN-OAQYLSRUSA-N 1 2 320.436 4.391 20 30 DIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000612406804 1040586534 /nfs/dbraw/zinc/58/65/34/1040586534.db2.gz UKNBQIFMWILTSN-OAQYLSRUSA-N 1 2 320.436 4.391 20 30 DIEDLO C[C@H]1c2ccccc2C(=O)/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000809156936 1041099488 /nfs/dbraw/zinc/09/94/88/1041099488.db2.gz PJKSPHQNNGCQLD-UWONZBIMSA-N 1 2 306.390 4.317 20 30 DIEDLO C[C@H]1c2ccccc2C(=O)/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000809156934 1041100047 /nfs/dbraw/zinc/10/00/47/1041100047.db2.gz PJKSPHQNNGCQLD-CHROMADKSA-N 1 2 306.390 4.317 20 30 DIEDLO O=C1c2cccc(Cl)c2OCC/C1=C\c1cccc2[nH+]ccn21 ZINC000180314019 1041122823 /nfs/dbraw/zinc/12/28/23/1041122823.db2.gz GWRTZGZDXFRPHF-VAWYXSNFSA-N 1 2 324.767 4.037 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc(OCC)cc1)c1ccc(Cl)cc1F ZINC000809699207 1041217369 /nfs/dbraw/zinc/21/73/69/1041217369.db2.gz LFXHGXVXUAFEIV-GOSISDBHSA-N 1 2 317.791 4.342 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccc(Cl)cc1F ZINC000809700153 1041218966 /nfs/dbraw/zinc/21/89/66/1041218966.db2.gz YTTNKFIZBWUGBG-KRWDZBQOSA-N 1 2 312.775 4.425 20 30 DIEDLO C=CC[NH+](CC=C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809934638 1041275608 /nfs/dbraw/zinc/27/56/08/1041275608.db2.gz AOZFFTVIRQTSJX-UHFFFAOYSA-N 1 2 301.173 4.076 20 30 DIEDLO C=CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000809969998 1041281398 /nfs/dbraw/zinc/28/13/98/1041281398.db2.gz KDYIGHROBPKOBO-UHFFFAOYSA-N 1 2 301.173 4.052 20 30 DIEDLO C=CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000809969998 1041281418 /nfs/dbraw/zinc/28/14/18/1041281418.db2.gz KDYIGHROBPKOBO-UHFFFAOYSA-N 1 2 301.173 4.052 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000811516291 1041534166 /nfs/dbraw/zinc/53/41/66/1041534166.db2.gz JCAZGWQVJIMNEY-HNNXBMFYSA-N 1 2 324.182 4.302 20 30 DIEDLO CCCCNc1[nH+]c2ccccc2n1Cc1cccc(C#N)c1 ZINC000014282372 1041592768 /nfs/dbraw/zinc/59/27/68/1041592768.db2.gz BWEMAXHAEKQKRP-UHFFFAOYSA-N 1 2 304.397 4.168 20 30 DIEDLO C=CCC[N@H+](Cc1ccccc1)Cc1ncc(Cl)nc1Cl ZINC001141136459 1041621655 /nfs/dbraw/zinc/62/16/55/1041621655.db2.gz ZUTQXQGYNOVOLR-UHFFFAOYSA-N 1 2 322.239 4.362 20 30 DIEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1ncc(Cl)nc1Cl ZINC001141136459 1041621657 /nfs/dbraw/zinc/62/16/57/1041621657.db2.gz ZUTQXQGYNOVOLR-UHFFFAOYSA-N 1 2 322.239 4.362 20 30 DIEDLO C#C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1ccc(F)cc1 ZINC000812792013 1041651087 /nfs/dbraw/zinc/65/10/87/1041651087.db2.gz HTAOMZHDWMTMEH-ZDUSSCGKSA-N 1 2 313.319 4.370 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc2cccc(OC)c2o1)c1ccc(F)cc1 ZINC000812794707 1041651198 /nfs/dbraw/zinc/65/11/98/1041651198.db2.gz CCMIFLHJTXTOBS-KRWDZBQOSA-N 1 2 309.340 4.045 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(F)c(F)c1 ZINC000660312022 1041710812 /nfs/dbraw/zinc/71/08/12/1041710812.db2.gz MUERYBPLHLQKBZ-QGZVFWFLSA-N 1 2 304.340 4.237 20 30 DIEDLO CCCCCCCC[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000190817415 1041719394 /nfs/dbraw/zinc/71/93/94/1041719394.db2.gz IEVNCHGELDKYQH-NRFANRHFSA-N 1 2 306.475 4.252 20 30 DIEDLO COc1ccccc1SC[C@@H](C)C/[NH+]=C/c1ccccc1O ZINC000728785727 1041729571 /nfs/dbraw/zinc/72/95/71/1041729571.db2.gz OVTIOWNSJDYESZ-BXUJETTOSA-N 1 2 315.438 4.248 20 30 DIEDLO C=C(Br)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666063 1041850930 /nfs/dbraw/zinc/85/09/30/1041850930.db2.gz BSUKODIAIJMPHU-LBPRGKRZSA-N 1 2 300.627 4.038 20 30 DIEDLO C=C(Br)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666063 1041850933 /nfs/dbraw/zinc/85/09/33/1041850933.db2.gz BSUKODIAIJMPHU-LBPRGKRZSA-N 1 2 300.627 4.038 20 30 DIEDLO c1cnc2cccc(N[NH+]=C3CC[C@H]4CNc5cccc3c54)c2c1 ZINC000814804524 1041872317 /nfs/dbraw/zinc/87/23/17/1041872317.db2.gz SVVMKGNEFGUZOK-ZDUSSCGKSA-N 1 2 314.392 4.354 20 30 DIEDLO Cc1cc(CNc2ccccc2O[C@@H](C)C#N)c2c([nH+]1)CCCC2 ZINC000893472928 1041960221 /nfs/dbraw/zinc/96/02/21/1041960221.db2.gz QVDBQDRJMDGKNY-HNNXBMFYSA-N 1 2 321.424 4.172 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000823616634 1042335753 /nfs/dbraw/zinc/33/57/53/1042335753.db2.gz BGYHQSFAURRVPR-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000823616634 1042335760 /nfs/dbraw/zinc/33/57/60/1042335760.db2.gz BGYHQSFAURRVPR-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000614182412 1042424240 /nfs/dbraw/zinc/42/42/40/1042424240.db2.gz QDSIWFMNIYITBO-ZWNOBZJWSA-N 1 2 316.754 4.374 20 30 DIEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000614182412 1042424242 /nfs/dbraw/zinc/42/42/42/1042424242.db2.gz QDSIWFMNIYITBO-ZWNOBZJWSA-N 1 2 316.754 4.374 20 30 DIEDLO Cc1ccc(OC(F)F)c(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000513732066 1042615237 /nfs/dbraw/zinc/61/52/37/1042615237.db2.gz ARRRIWZFCLTJMP-UHFFFAOYSA-N 1 2 310.388 4.358 20 30 DIEDLO Cc1ccc(OC(F)F)c(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000513732066 1042615240 /nfs/dbraw/zinc/61/52/40/1042615240.db2.gz ARRRIWZFCLTJMP-UHFFFAOYSA-N 1 2 310.388 4.358 20 30 DIEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421323513 1042630000 /nfs/dbraw/zinc/63/00/00/1042630000.db2.gz WEGOZKCWCMYNGN-MRXNPFEDSA-N 1 2 322.456 4.257 20 30 DIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421323513 1042630002 /nfs/dbraw/zinc/63/00/02/1042630002.db2.gz WEGOZKCWCMYNGN-MRXNPFEDSA-N 1 2 322.456 4.257 20 30 DIEDLO C=CC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000441265389 1043032583 /nfs/dbraw/zinc/03/25/83/1043032583.db2.gz MGIMABFQXFEQCP-UHFFFAOYSA-N 1 2 321.399 4.200 20 30 DIEDLO C=CC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000441265389 1043032588 /nfs/dbraw/zinc/03/25/88/1043032588.db2.gz MGIMABFQXFEQCP-UHFFFAOYSA-N 1 2 321.399 4.200 20 30 DIEDLO CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331331987 1043115982 /nfs/dbraw/zinc/11/59/82/1043115982.db2.gz OXTVILXLHSVIGX-LSDHHAIUSA-N 1 2 321.490 4.397 20 30 DIEDLO Cc1cc([C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)o1 ZINC000331350651 1043117263 /nfs/dbraw/zinc/11/72/63/1043117263.db2.gz YMOSDPCOVSOYMY-GFCCVEGCSA-N 1 2 301.390 4.304 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(C(F)(F)F)cc1 ZINC000178944679 1043148001 /nfs/dbraw/zinc/14/80/01/1043148001.db2.gz WDGVACBGQGISIP-CMDGGOBGSA-N 1 2 316.282 4.249 20 30 DIEDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(OC)cc1 ZINC000866216037 1043160483 /nfs/dbraw/zinc/16/04/83/1043160483.db2.gz PROZZWLHSFKRHG-SCLBCKFNSA-N 1 2 310.397 4.074 20 30 DIEDLO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1cccc(C#N)c1O ZINC000866232241 1043162906 /nfs/dbraw/zinc/16/29/06/1043162906.db2.gz ICPYUVPFPHJKJG-MLGOLLRUSA-N 1 2 310.422 4.152 20 30 DIEDLO CC(C)OCc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866241767 1043163978 /nfs/dbraw/zinc/16/39/78/1043163978.db2.gz GCTGZFAQZAUCPA-HNNXBMFYSA-N 1 2 324.424 4.040 20 30 DIEDLO CCC(CC)c1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)on1 ZINC000866273481 1043168748 /nfs/dbraw/zinc/16/87/48/1043168748.db2.gz NKHVIUOICGLAQD-LBPRGKRZSA-N 1 2 313.401 4.006 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1cccc(C#N)c1O ZINC000866346083 1043183867 /nfs/dbraw/zinc/18/38/67/1043183867.db2.gz HHMHRBDXDDSEMG-WDEREUQCSA-N 1 2 300.324 4.036 20 30 DIEDLO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866353409 1043186229 /nfs/dbraw/zinc/18/62/29/1043186229.db2.gz SLPNONTYYZKXTH-OLZOCXBDSA-N 1 2 312.438 4.398 20 30 DIEDLO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866353411 1043186256 /nfs/dbraw/zinc/18/62/56/1043186256.db2.gz SLPNONTYYZKXTH-STQMWFEESA-N 1 2 312.438 4.398 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1cccc(C#N)c1O ZINC000866362650 1043189729 /nfs/dbraw/zinc/18/97/29/1043189729.db2.gz GLPRBCRLVOXUHN-LBPRGKRZSA-N 1 2 316.351 4.226 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1nc(C)c(C)s1)c1ccc(F)c(F)c1 ZINC000187788768 1043251995 /nfs/dbraw/zinc/25/19/95/1043251995.db2.gz VTIBBPWXJYOZFR-MRXNPFEDSA-N 1 2 308.397 4.445 20 30 DIEDLO CC(C)(C)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000269601333 1043369516 /nfs/dbraw/zinc/36/95/16/1043369516.db2.gz ICELEYVITCNDTA-UHFFFAOYSA-N 1 2 311.454 4.091 20 30 DIEDLO C[C@H](Nc1cccc(OCCCC#N)c1)c1cn2c([nH+]1)CCCC2 ZINC000925755642 1043465429 /nfs/dbraw/zinc/46/54/29/1043465429.db2.gz PCIRZWVZNZEHFZ-HNNXBMFYSA-N 1 2 324.428 4.075 20 30 DIEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1cc(OC)ccn1)c1ccc(F)c(F)c1 ZINC000926206521 1043546698 /nfs/dbraw/zinc/54/66/98/1043546698.db2.gz NJRDRZCCPNSRRN-KZULUSFZSA-N 1 2 318.367 4.336 20 30 DIEDLO C=C(Br)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000125145522 1043599278 /nfs/dbraw/zinc/59/92/78/1043599278.db2.gz ZDOUAGKSNVXTGL-NSHDSACASA-N 1 2 323.259 4.369 20 30 DIEDLO CC(C)[C@H](C[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000353618254 1043624711 /nfs/dbraw/zinc/62/47/11/1043624711.db2.gz SWCTVFJNVJQGLZ-FQEVSTJZSA-N 1 2 307.441 4.237 20 30 DIEDLO CC(C)[C@H](C[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000353618254 1043624716 /nfs/dbraw/zinc/62/47/16/1043624716.db2.gz SWCTVFJNVJQGLZ-FQEVSTJZSA-N 1 2 307.441 4.237 20 30 DIEDLO CCCCCCCCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125560059 1043634516 /nfs/dbraw/zinc/63/45/16/1043634516.db2.gz ZANHQWGENGAGBU-SJORKVTESA-N 1 2 305.466 4.043 20 30 DIEDLO C=C(C)C[N@@H+](CC)Cc1csc(COc2ccccc2)n1 ZINC000052440642 1043688763 /nfs/dbraw/zinc/68/87/63/1043688763.db2.gz ZPDAZZQYWKPTHS-UHFFFAOYSA-N 1 2 302.443 4.120 20 30 DIEDLO C=C(C)C[N@H+](CC)Cc1csc(COc2ccccc2)n1 ZINC000052440642 1043688772 /nfs/dbraw/zinc/68/87/72/1043688772.db2.gz ZPDAZZQYWKPTHS-UHFFFAOYSA-N 1 2 302.443 4.120 20 30 DIEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000559188532 1043710947 /nfs/dbraw/zinc/71/09/47/1043710947.db2.gz GJNPOIKFWMCEGI-OAHLLOKOSA-N 1 2 307.372 4.026 20 30 DIEDLO Cc1cc(N[C@H]2CCCc3cc(C#N)ccc32)ccc1[NH+](C)C ZINC000777643259 1043726301 /nfs/dbraw/zinc/72/63/01/1043726301.db2.gz LWNQWFFSXWJJTN-IBGZPJMESA-N 1 2 305.425 4.422 20 30 DIEDLO C=CCC[C@@H]([NH2+]c1ccc(N2CCOC[C@@H]2C)cc1)C1CC1 ZINC000777691807 1043756363 /nfs/dbraw/zinc/75/63/63/1043756363.db2.gz FTOKFJAYQGZGDE-HNAYVOBHSA-N 1 2 300.446 4.068 20 30 DIEDLO N#Cc1cnc(Cl)c(C[NH2+]C2(c3ccccc3Cl)CC2)c1 ZINC000877604765 1043779518 /nfs/dbraw/zinc/77/95/18/1043779518.db2.gz QWGCOTIELJKSOA-UHFFFAOYSA-N 1 2 318.207 4.039 20 30 DIEDLO CC[N@H+](Cc1nc(C#N)cs1)Cc1ccc2ccccc2c1 ZINC000356090196 1043806867 /nfs/dbraw/zinc/80/68/67/1043806867.db2.gz FMBLYASYTHAHQW-UHFFFAOYSA-N 1 2 307.422 4.190 20 30 DIEDLO CC[N@@H+](Cc1nc(C#N)cs1)Cc1ccc2ccccc2c1 ZINC000356090196 1043806885 /nfs/dbraw/zinc/80/68/85/1043806885.db2.gz FMBLYASYTHAHQW-UHFFFAOYSA-N 1 2 307.422 4.190 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356196635 1043822710 /nfs/dbraw/zinc/82/27/10/1043822710.db2.gz SSHOIGLHYKYBNM-UHFFFAOYSA-N 1 2 323.362 4.339 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356196635 1043822723 /nfs/dbraw/zinc/82/27/23/1043822723.db2.gz SSHOIGLHYKYBNM-UHFFFAOYSA-N 1 2 323.362 4.339 20 30 DIEDLO CC[N@H+](Cc1scnc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000877992554 1043835651 /nfs/dbraw/zinc/83/56/51/1043835651.db2.gz ZSSOKDOZEOGILV-LLVKDONJSA-N 1 2 305.834 4.251 20 30 DIEDLO CC[N@@H+](Cc1scnc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000877992554 1043835668 /nfs/dbraw/zinc/83/56/68/1043835668.db2.gz ZSSOKDOZEOGILV-LLVKDONJSA-N 1 2 305.834 4.251 20 30 DIEDLO CC[N@H+](Cc1nc2c(o1)CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000877991286 1043835945 /nfs/dbraw/zinc/83/59/45/1043835945.db2.gz OJQPWFSXKKQHBB-CQSZACIVSA-N 1 2 309.413 4.008 20 30 DIEDLO CC[N@@H+](Cc1nc2c(o1)CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000877991286 1043835965 /nfs/dbraw/zinc/83/59/65/1043835965.db2.gz OJQPWFSXKKQHBB-CQSZACIVSA-N 1 2 309.413 4.008 20 30 DIEDLO CC(C)Oc1cccc(C[N@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000428304329 1043933214 /nfs/dbraw/zinc/93/32/14/1043933214.db2.gz UKSLNNQWKHXUEM-UHFFFAOYSA-N 1 2 312.388 4.117 20 30 DIEDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000428304329 1043933218 /nfs/dbraw/zinc/93/32/18/1043933218.db2.gz UKSLNNQWKHXUEM-UHFFFAOYSA-N 1 2 312.388 4.117 20 30 DIEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000346834162 1044161249 /nfs/dbraw/zinc/16/12/49/1044161249.db2.gz KVCPBAZTANPMJB-NSHDSACASA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000346834162 1044161256 /nfs/dbraw/zinc/16/12/56/1044161256.db2.gz KVCPBAZTANPMJB-NSHDSACASA-N 1 2 319.202 4.107 20 30 DIEDLO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1F)c1ccc(C#N)cc1F ZINC000883376207 1044290976 /nfs/dbraw/zinc/29/09/76/1044290976.db2.gz GETWVZUDLXVSEW-WILYLXEWSA-N 1 2 312.363 4.374 20 30 DIEDLO CCCCCCC[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001142007209 1044353857 /nfs/dbraw/zinc/35/38/57/1044353857.db2.gz WUWSDHQIVHTXIN-AWEZNQCLSA-N 1 2 301.434 4.289 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cccc(C(F)(F)F)c1 ZINC000133158508 1044361303 /nfs/dbraw/zinc/36/13/03/1044361303.db2.gz WTTZMLPQCQVTTJ-BQYQJAHWSA-N 1 2 316.282 4.249 20 30 DIEDLO CC(C)(C)[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000564852756 1044405455 /nfs/dbraw/zinc/40/54/55/1044405455.db2.gz PKFBGXQZKHTWPX-BLLLJJGKSA-N 1 2 305.372 4.085 20 30 DIEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000564844699 1044406379 /nfs/dbraw/zinc/40/63/79/1044406379.db2.gz NUIQGGSYPKRCSX-KXBFYZLASA-N 1 2 323.827 4.463 20 30 DIEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000564844698 1044406383 /nfs/dbraw/zinc/40/63/83/1044406383.db2.gz NUIQGGSYPKRCSX-HNAYVOBHSA-N 1 2 323.827 4.463 20 30 DIEDLO N#CCC[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)CC1CC1 ZINC000361565442 1044418400 /nfs/dbraw/zinc/41/84/00/1044418400.db2.gz MFSMVODNCONETP-UHFFFAOYSA-N 1 2 316.351 4.350 20 30 DIEDLO N#CCC[N@H+](Cc1ccc(-c2cccc(F)c2F)o1)CC1CC1 ZINC000361565442 1044418408 /nfs/dbraw/zinc/41/84/08/1044418408.db2.gz MFSMVODNCONETP-UHFFFAOYSA-N 1 2 316.351 4.350 20 30 DIEDLO CC(C)(C)OC(=O)Nc1cc(NC2=CC[C@@H](C#N)CC2)cc[nH+]1 ZINC001212855506 1044680180 /nfs/dbraw/zinc/68/01/80/1044680180.db2.gz YCPUJXNBVUXUEN-GFCCVEGCSA-N 1 2 314.389 4.048 20 30 DIEDLO Cc1nnc(Nc2ccc([NH2+]CC3CCCC3)cc2)c(C#N)c1C ZINC000524103880 1044737640 /nfs/dbraw/zinc/73/76/40/1044737640.db2.gz CLRKTFORFIDOQU-UHFFFAOYSA-N 1 2 321.428 4.311 20 30 DIEDLO N#Cc1ccccc1SCc1c[nH+]cn1Cc1ccccc1 ZINC000445608225 1044768711 /nfs/dbraw/zinc/76/87/11/1044768711.db2.gz AWUQPGFQSOFMPW-UHFFFAOYSA-N 1 2 305.406 4.095 20 30 DIEDLO N#CCC[C@H](C#N)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000369752781 1044815342 /nfs/dbraw/zinc/81/53/42/1044815342.db2.gz CGVUMUKDADZXJZ-CQSZACIVSA-N 1 2 319.811 4.044 20 30 DIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1CC)Cc1ccccc1 ZINC000045796723 1044900506 /nfs/dbraw/zinc/90/05/06/1044900506.db2.gz MCGCYRDKRAFLJF-UHFFFAOYSA-N 1 2 322.452 4.184 20 30 DIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1CC)Cc1ccccc1 ZINC000045796723 1044900511 /nfs/dbraw/zinc/90/05/11/1044900511.db2.gz MCGCYRDKRAFLJF-UHFFFAOYSA-N 1 2 322.452 4.184 20 30 DIEDLO N#Cc1ccccc1COc1cccc(CNc2cccc[nH+]2)c1 ZINC000157431394 1044908091 /nfs/dbraw/zinc/90/80/91/1044908091.db2.gz JKSMXFKRLMLLJV-UHFFFAOYSA-N 1 2 315.376 4.144 20 30 DIEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccccc3C#N)[C@H](C)CO2)c1 ZINC000524758712 1044916797 /nfs/dbraw/zinc/91/67/97/1044916797.db2.gz XXKISDWYNMCERS-DYESRHJHSA-N 1 2 320.436 4.137 20 30 DIEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccccc3C#N)[C@H](C)CO2)c1 ZINC000524758712 1044916806 /nfs/dbraw/zinc/91/68/06/1044916806.db2.gz XXKISDWYNMCERS-DYESRHJHSA-N 1 2 320.436 4.137 20 30 DIEDLO C=CCOc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000338149546 1044981169 /nfs/dbraw/zinc/98/11/69/1044981169.db2.gz SZOQROKMLQZFSR-UHFFFAOYSA-N 1 2 305.381 4.049 20 30 DIEDLO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(C#N)cc3Cl)cn2c1 ZINC000574949220 1044981157 /nfs/dbraw/zinc/98/11/57/1044981157.db2.gz PAJXYLXUJBKHOK-ZDUSSCGKSA-N 1 2 324.815 4.019 20 30 DIEDLO N#CC1(CC[N@@H+]2CCO[C@H](c3ccccc3F)C2)CCCCC1 ZINC000411221151 1044986811 /nfs/dbraw/zinc/98/68/11/1044986811.db2.gz UBUWPYGLSFBIAM-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CC[N@H+]2CCO[C@H](c3ccccc3F)C2)CCCCC1 ZINC000411221151 1044986826 /nfs/dbraw/zinc/98/68/26/1044986826.db2.gz UBUWPYGLSFBIAM-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCc3ccsc3C2)c(C(F)(F)F)c1 ZINC000575137616 1044987664 /nfs/dbraw/zinc/98/76/64/1044987664.db2.gz JMUATIAXODXXHH-UHFFFAOYSA-N 1 2 322.355 4.197 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCc3ccsc3C2)c(C(F)(F)F)c1 ZINC000575137616 1044987683 /nfs/dbraw/zinc/98/76/83/1044987683.db2.gz JMUATIAXODXXHH-UHFFFAOYSA-N 1 2 322.355 4.197 20 30 DIEDLO Cc1scc(CNc2[nH+]cccc2OCCCC#N)c1C ZINC000601066839 1045183000 /nfs/dbraw/zinc/18/30/00/1045183000.db2.gz RTZSTAWPTDPHPF-UHFFFAOYSA-N 1 2 301.415 4.055 20 30 DIEDLO C[N@H+](Cc1cccs1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000017288020 1045238507 /nfs/dbraw/zinc/23/85/07/1045238507.db2.gz IVLIBNCLPMNKEU-INIZCTEOSA-N 1 2 300.427 4.040 20 30 DIEDLO C[N@@H+](Cc1cccs1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000017288020 1045238516 /nfs/dbraw/zinc/23/85/16/1045238516.db2.gz IVLIBNCLPMNKEU-INIZCTEOSA-N 1 2 300.427 4.040 20 30 DIEDLO N#Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCCCC3)c[nH+]1)CC2 ZINC000578805795 1045273231 /nfs/dbraw/zinc/27/32/31/1045273231.db2.gz BUWCHLZOYOYXIL-IBGZPJMESA-N 1 2 318.424 4.043 20 30 DIEDLO Cc1[nH+]cn(-c2ccc(NC3CCC(C)(C#N)CC3)cc2)c1C ZINC000449334239 1045381090 /nfs/dbraw/zinc/38/10/90/1045381090.db2.gz DKZWMGDJYCKGIJ-UHFFFAOYSA-N 1 2 308.429 4.374 20 30 DIEDLO CC[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1cccc(C#N)c1O ZINC001119631983 1045521113 /nfs/dbraw/zinc/52/11/13/1045521113.db2.gz JWQYZXINSXUGFD-MRXNPFEDSA-N 1 2 316.351 4.442 20 30 DIEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC001120660994 1045540596 /nfs/dbraw/zinc/54/05/96/1045540596.db2.gz ODTNZJLKKYSTGT-CXAGYDPISA-N 1 2 313.401 4.010 20 30 DIEDLO CC(=NNc1ccc(F)cc1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000750945745 1045571293 /nfs/dbraw/zinc/57/12/93/1045571293.db2.gz ISCLPKTVNCVCRX-UHFFFAOYSA-N 1 2 308.360 4.156 20 30 DIEDLO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001202797680 1045575796 /nfs/dbraw/zinc/57/57/96/1045575796.db2.gz NTFVRFYOJDRLCV-INIZCTEOSA-N 1 2 319.807 4.462 20 30 DIEDLO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001202797681 1045576383 /nfs/dbraw/zinc/57/63/83/1045576383.db2.gz NTFVRFYOJDRLCV-MRXNPFEDSA-N 1 2 319.807 4.462 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000122160373 1045721856 /nfs/dbraw/zinc/72/18/56/1045721856.db2.gz VMNYFCHXNVJJFA-GFCCVEGCSA-N 1 2 319.861 4.214 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000122160373 1045721875 /nfs/dbraw/zinc/72/18/75/1045721875.db2.gz VMNYFCHXNVJJFA-GFCCVEGCSA-N 1 2 319.861 4.214 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878672 1045738091 /nfs/dbraw/zinc/73/80/91/1045738091.db2.gz NNFFEFLGAWHOHH-LJQANCHMSA-N 1 2 316.408 4.162 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878672 1045738103 /nfs/dbraw/zinc/73/81/03/1045738103.db2.gz NNFFEFLGAWHOHH-LJQANCHMSA-N 1 2 316.408 4.162 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 ZINC000901457934 1045739713 /nfs/dbraw/zinc/73/97/13/1045739713.db2.gz VOHYCOSVCMKASL-FPLPWBNLSA-N 1 2 308.303 4.379 20 30 DIEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901457958 1045740358 /nfs/dbraw/zinc/74/03/58/1045740358.db2.gz XLBBFQXKONSPGS-BQYQJAHWSA-N 1 2 317.458 4.423 20 30 DIEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(SC(C)C)cc2)[nH+]c1C ZINC000901472967 1045743094 /nfs/dbraw/zinc/74/30/94/1045743094.db2.gz YVQQAOKEKMUKFS-MDZDMXLPSA-N 1 2 300.427 4.423 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(C(F)(F)F)s1 ZINC000901572186 1045766594 /nfs/dbraw/zinc/76/65/94/1045766594.db2.gz CZJWZONNPSYGBB-ARJAWSKDSA-N 1 2 314.332 4.440 20 30 DIEDLO C=CCC1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC001125083683 1045849187 /nfs/dbraw/zinc/84/91/87/1045849187.db2.gz JDSMYQGJCVRTKC-UHFFFAOYSA-N 1 2 309.413 4.337 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001137863600 1045989144 /nfs/dbraw/zinc/98/91/44/1045989144.db2.gz VRVRMXZCDLBITH-UHFFFAOYSA-N 1 2 302.315 4.360 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001137863600 1045989155 /nfs/dbraw/zinc/98/91/55/1045989155.db2.gz VRVRMXZCDLBITH-UHFFFAOYSA-N 1 2 302.315 4.360 20 30 DIEDLO COc1ccc2[nH+]c(C)cc(OCc3ccccc3C#N)c2c1 ZINC000195581162 1046124128 /nfs/dbraw/zinc/12/41/28/1046124128.db2.gz HVYQHFPXMWLVLT-UHFFFAOYSA-N 1 2 304.349 4.003 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001138250549 1046127496 /nfs/dbraw/zinc/12/74/96/1046127496.db2.gz GMJBNPRZXHMPBX-SFHVURJKSA-N 1 2 324.399 4.140 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001138250549 1046127504 /nfs/dbraw/zinc/12/75/04/1046127504.db2.gz GMJBNPRZXHMPBX-SFHVURJKSA-N 1 2 324.399 4.140 20 30 DIEDLO Cc1c(C[N@H+](CCC#N)Cc2ccccc2)c2ccccc2n1C ZINC001138252405 1046129185 /nfs/dbraw/zinc/12/91/85/1046129185.db2.gz FZJTZVWVEDUMHI-UHFFFAOYSA-N 1 2 317.436 4.403 20 30 DIEDLO Cc1c(C[N@@H+](CCC#N)Cc2ccccc2)c2ccccc2n1C ZINC001138252405 1046129192 /nfs/dbraw/zinc/12/91/92/1046129192.db2.gz FZJTZVWVEDUMHI-UHFFFAOYSA-N 1 2 317.436 4.403 20 30 DIEDLO C=C(C)[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000475742865 1046190939 /nfs/dbraw/zinc/19/09/39/1046190939.db2.gz COEISWLYBHADFR-OAHLLOKOSA-N 1 2 314.339 4.274 20 30 DIEDLO C=C(C)[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000475742864 1046191237 /nfs/dbraw/zinc/19/12/37/1046191237.db2.gz COEISWLYBHADFR-HNNXBMFYSA-N 1 2 314.339 4.274 20 30 DIEDLO CC[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccc(C#N)cc1 ZINC000903271935 1046215936 /nfs/dbraw/zinc/21/59/36/1046215936.db2.gz MBLWVCTZTGPFCQ-AOIWGVFYSA-N 1 2 310.372 4.071 20 30 DIEDLO Cc1nc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)sc1C ZINC000088602672 1046234304 /nfs/dbraw/zinc/23/43/04/1046234304.db2.gz FBIUSRYOMSMVCK-IRXDYDNUSA-N 1 2 311.454 4.032 20 30 DIEDLO Cc1nc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)sc1C ZINC000088602672 1046234318 /nfs/dbraw/zinc/23/43/18/1046234318.db2.gz FBIUSRYOMSMVCK-IRXDYDNUSA-N 1 2 311.454 4.032 20 30 DIEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2cccc(OC)c2C1 ZINC001138666461 1046263443 /nfs/dbraw/zinc/26/34/43/1046263443.db2.gz UCOBVBLOZOKHPN-UHFFFAOYSA-N 1 2 309.409 4.166 20 30 DIEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2cccc(OC)c2C1 ZINC001138666461 1046263465 /nfs/dbraw/zinc/26/34/65/1046263465.db2.gz UCOBVBLOZOKHPN-UHFFFAOYSA-N 1 2 309.409 4.166 20 30 DIEDLO CC(=[NH+]Nc1cccc2cnccc21)c1ccc(F)cc1N(C)C ZINC000759195120 1046332165 /nfs/dbraw/zinc/33/21/65/1046332165.db2.gz MADKPUXACQNNOG-UHFFFAOYSA-N 1 2 322.387 4.276 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(F)c(Cl)c3)n21 ZINC000748998643 1046421468 /nfs/dbraw/zinc/42/14/68/1046421468.db2.gz RRLCCVRNDQRAOE-SOFGYWHQSA-N 1 2 314.747 4.331 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(Cl)s3)n21 ZINC000748994676 1046421761 /nfs/dbraw/zinc/42/17/61/1046421761.db2.gz RFAHXAIILPCYPH-AATRIKPKSA-N 1 2 302.786 4.254 20 30 DIEDLO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C#N)C3)s2)cc1 ZINC001139287344 1046425478 /nfs/dbraw/zinc/42/54/78/1046425478.db2.gz LYZJWABHVXCHGX-AWEZNQCLSA-N 1 2 312.438 4.159 20 30 DIEDLO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C#N)C3)s2)cc1 ZINC001139287344 1046425482 /nfs/dbraw/zinc/42/54/82/1046425482.db2.gz LYZJWABHVXCHGX-AWEZNQCLSA-N 1 2 312.438 4.159 20 30 DIEDLO N#C[C@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3s2)C1 ZINC001139668720 1046496884 /nfs/dbraw/zinc/49/68/84/1046496884.db2.gz GGYKDQKDOCZGFV-SNVBAGLBSA-N 1 2 321.243 4.009 20 30 DIEDLO N#C[C@H]1CC[N@H+](Cc2cc3cc(Br)ccc3s2)C1 ZINC001139668720 1046496889 /nfs/dbraw/zinc/49/68/89/1046496889.db2.gz GGYKDQKDOCZGFV-SNVBAGLBSA-N 1 2 321.243 4.009 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(Cl)c1C#N ZINC001139690687 1046498338 /nfs/dbraw/zinc/49/83/38/1046498338.db2.gz GOZMZJNALAKCCL-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(Cl)c1C#N ZINC001139690687 1046498345 /nfs/dbraw/zinc/49/83/45/1046498345.db2.gz GOZMZJNALAKCCL-UHFFFAOYSA-N 1 2 305.208 4.497 20 30 DIEDLO N#CC1(c2cccc(Nc3ccc(-n4cc[nH+]c4)cc3)c2)CC1 ZINC001213320863 1046533795 /nfs/dbraw/zinc/53/37/95/1046533795.db2.gz PSKJUDVMPGNLBL-UHFFFAOYSA-N 1 2 300.365 4.171 20 30 DIEDLO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001139876106 1046540132 /nfs/dbraw/zinc/54/01/32/1046540132.db2.gz LFIMKBDWHILCPS-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001139876106 1046540138 /nfs/dbraw/zinc/54/01/38/1046540138.db2.gz LFIMKBDWHILCPS-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO CCc1cnc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)s1 ZINC000135269791 1046553375 /nfs/dbraw/zinc/55/33/75/1046553375.db2.gz BOKQJNLVNSIYRW-UHFFFAOYSA-N 1 2 313.470 4.139 20 30 DIEDLO CCc1cnc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)s1 ZINC000135269791 1046553384 /nfs/dbraw/zinc/55/33/84/1046553384.db2.gz BOKQJNLVNSIYRW-UHFFFAOYSA-N 1 2 313.470 4.139 20 30 DIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(N(C)C)nc1 ZINC000678125592 1046563054 /nfs/dbraw/zinc/56/30/54/1046563054.db2.gz ZZOUXEKEPPQIBP-UHFFFAOYSA-N 1 2 321.877 4.051 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(N(C)C)nc1 ZINC000678125592 1046563067 /nfs/dbraw/zinc/56/30/67/1046563067.db2.gz ZZOUXEKEPPQIBP-UHFFFAOYSA-N 1 2 321.877 4.051 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140093805 1046587617 /nfs/dbraw/zinc/58/76/17/1046587617.db2.gz DJZMBAJUJHRWOU-UHFFFAOYSA-N 1 2 317.433 4.465 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140093805 1046587629 /nfs/dbraw/zinc/58/76/29/1046587629.db2.gz DJZMBAJUJHRWOU-UHFFFAOYSA-N 1 2 317.433 4.465 20 30 DIEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3Cc4cccc(Cl)c4C3)c2c1 ZINC001140115452 1046594254 /nfs/dbraw/zinc/59/42/54/1046594254.db2.gz AWKUWGAHUPUPHW-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO N#Cc1ccc2[nH]cc(C[N@H+]3Cc4cccc(Cl)c4C3)c2c1 ZINC001140115452 1046594267 /nfs/dbraw/zinc/59/42/67/1046594267.db2.gz AWKUWGAHUPUPHW-UHFFFAOYSA-N 1 2 307.784 4.209 20 30 DIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2c(Cl)cccc2Cl)c1 ZINC000696989258 1046614010 /nfs/dbraw/zinc/61/40/10/1046614010.db2.gz OFPBSXKWFYPKDR-UHFFFAOYSA-N 1 2 309.171 4.294 20 30 DIEDLO Cc1ccsc1C(=O)/C=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783705948 1046625730 /nfs/dbraw/zinc/62/57/30/1046625730.db2.gz DJNDVBNRHPVUEW-IHWYPQMZSA-N 1 2 300.408 4.200 20 30 DIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1c[nH]c2ccccc21 ZINC000783707667 1046625964 /nfs/dbraw/zinc/62/59/64/1046625964.db2.gz WUNFDZNDABNDEV-AATRIKPKSA-N 1 2 319.389 4.311 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000093872488 1046641937 /nfs/dbraw/zinc/64/19/37/1046641937.db2.gz PTGHYZYVTDSGKC-MSOLQXFVSA-N 1 2 323.465 4.292 20 30 DIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000093872488 1046641945 /nfs/dbraw/zinc/64/19/45/1046641945.db2.gz PTGHYZYVTDSGKC-MSOLQXFVSA-N 1 2 323.465 4.292 20 30 DIEDLO CC(C)Oc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000533255698 1046680536 /nfs/dbraw/zinc/68/05/36/1046680536.db2.gz UFNGKZWIWKZNJV-UHFFFAOYSA-N 1 2 312.388 4.117 20 30 DIEDLO CC(C)Oc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000533255698 1046680545 /nfs/dbraw/zinc/68/05/45/1046680545.db2.gz UFNGKZWIWKZNJV-UHFFFAOYSA-N 1 2 312.388 4.117 20 30 DIEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001140601659 1046804689 /nfs/dbraw/zinc/80/46/89/1046804689.db2.gz XJTRTJAOIZXIIQ-SFHVURJKSA-N 1 2 311.816 4.334 20 30 DIEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001140601659 1046804713 /nfs/dbraw/zinc/80/47/13/1046804713.db2.gz XJTRTJAOIZXIIQ-SFHVURJKSA-N 1 2 311.816 4.334 20 30 DIEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1F ZINC001140751174 1046885774 /nfs/dbraw/zinc/88/57/74/1046885774.db2.gz MBYQXJOITCLECK-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1F ZINC001140751174 1046885787 /nfs/dbraw/zinc/88/57/87/1046885787.db2.gz MBYQXJOITCLECK-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO CN(C)c1ccc(C[N@H+](CCC#N)C2CCCC2)c(Cl)c1 ZINC001140923855 1046952210 /nfs/dbraw/zinc/95/22/10/1046952210.db2.gz JOTCDFXCFWDTTL-UHFFFAOYSA-N 1 2 305.853 4.064 20 30 DIEDLO CN(C)c1ccc(C[N@@H+](CCC#N)C2CCCC2)c(Cl)c1 ZINC001140923855 1046952218 /nfs/dbraw/zinc/95/22/18/1046952218.db2.gz JOTCDFXCFWDTTL-UHFFFAOYSA-N 1 2 305.853 4.064 20 30 DIEDLO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2C#N)c1 ZINC001141166411 1047033843 /nfs/dbraw/zinc/03/38/43/1047033843.db2.gz MLZUGERGJUHCRL-HXUWFJFHSA-N 1 2 324.399 4.433 20 30 DIEDLO COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2C#N)c1 ZINC001141166411 1047033854 /nfs/dbraw/zinc/03/38/54/1047033854.db2.gz MLZUGERGJUHCRL-HXUWFJFHSA-N 1 2 324.399 4.433 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317107 1047085860 /nfs/dbraw/zinc/08/58/60/1047085860.db2.gz KKDVHJRNMKIQEA-LJQANCHMSA-N 1 2 310.372 4.354 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317107 1047085874 /nfs/dbraw/zinc/08/58/74/1047085874.db2.gz KKDVHJRNMKIQEA-LJQANCHMSA-N 1 2 310.372 4.354 20 30 DIEDLO C=C(C)C[N@@H+](CC)Cc1cc(Cl)cc(Br)c1O ZINC001141372911 1047108476 /nfs/dbraw/zinc/10/84/76/1047108476.db2.gz DFYGZFOFYBQMER-UHFFFAOYSA-N 1 2 318.642 4.206 20 30 DIEDLO C=C(C)C[N@H+](CC)Cc1cc(Cl)cc(Br)c1O ZINC001141372911 1047108486 /nfs/dbraw/zinc/10/84/86/1047108486.db2.gz DFYGZFOFYBQMER-UHFFFAOYSA-N 1 2 318.642 4.206 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(F)c(F)c1 ZINC000681375251 1047118875 /nfs/dbraw/zinc/11/88/75/1047118875.db2.gz NGNPOSSFRYGZFS-KRWDZBQOSA-N 1 2 320.408 4.317 20 30 DIEDLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000537022869 1047131559 /nfs/dbraw/zinc/13/15/59/1047131559.db2.gz BIDLPNJPHVGSBX-AWEZNQCLSA-N 1 2 312.388 4.335 20 30 DIEDLO N#CC1CC[NH+](Cc2cc3cccc(Cl)c3nc2Cl)CC1 ZINC001141543562 1047176193 /nfs/dbraw/zinc/17/61/93/1047176193.db2.gz GCFRAFHKEVWPHV-UHFFFAOYSA-N 1 2 320.223 4.277 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)s1 ZINC000162212838 1047332027 /nfs/dbraw/zinc/33/20/27/1047332027.db2.gz RTBTVBJQCXEMOT-UHFFFAOYSA-N 1 2 308.406 4.415 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)s1 ZINC000162212838 1047332042 /nfs/dbraw/zinc/33/20/42/1047332042.db2.gz RTBTVBJQCXEMOT-UHFFFAOYSA-N 1 2 308.406 4.415 20 30 DIEDLO CCCCCCCCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000726702245 1047374170 /nfs/dbraw/zinc/37/41/70/1047374170.db2.gz IWDGRSHLNZZCQU-UHFFFAOYSA-N 1 2 320.481 4.049 20 30 DIEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2c(C)[nH]c3ccccc32)c1 ZINC000726890379 1047387299 /nfs/dbraw/zinc/38/72/99/1047387299.db2.gz KIVNYNLSXLCCNT-BKUYFWCQSA-N 1 2 322.408 4.242 20 30 DIEDLO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Cl)c1 ZINC001142293302 1047424033 /nfs/dbraw/zinc/42/40/33/1047424033.db2.gz QDCYGQIFJYXELR-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](C#N)CC2)c(Cl)c1 ZINC001142293302 1047424035 /nfs/dbraw/zinc/42/40/35/1047424035.db2.gz QDCYGQIFJYXELR-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc2ccccc2n1 ZINC000749814389 1047438097 /nfs/dbraw/zinc/43/80/97/1047438097.db2.gz BPWHBTZYKBYBTM-UHFFFAOYSA-N 1 2 312.376 4.041 20 30 DIEDLO Cn1c(CNc2[nH+]ccc3ccc(C#N)cc32)cc2ccccc21 ZINC001156014581 1047696040 /nfs/dbraw/zinc/69/60/40/1047696040.db2.gz DAUBSWIZYCKENB-UHFFFAOYSA-N 1 2 312.376 4.210 20 30 DIEDLO C=CCCCCO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224335642 1047711789 /nfs/dbraw/zinc/71/17/89/1047711789.db2.gz VEEJBFDXLZBZSA-CYBMUJFWSA-N 1 2 314.882 4.134 20 30 DIEDLO C=CCCCCO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224335642 1047711794 /nfs/dbraw/zinc/71/17/94/1047711794.db2.gz VEEJBFDXLZBZSA-CYBMUJFWSA-N 1 2 314.882 4.134 20 30 DIEDLO Cc1nc(N2CCC(c3ccc(C#N)cc3)CC2)cc(C(C)C)[nH+]1 ZINC001156761303 1047721903 /nfs/dbraw/zinc/72/19/03/1047721903.db2.gz YMYZTFHPJJWZEH-UHFFFAOYSA-N 1 2 320.440 4.164 20 30 DIEDLO N#Cc1ccc(C2CCN(c3[nH+]ccc4ccccc43)CC2)cc1 ZINC001156759957 1047722002 /nfs/dbraw/zinc/72/20/02/1047722002.db2.gz CZHPJHQFQLTEBU-UHFFFAOYSA-N 1 2 313.404 4.490 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1OC(F)F ZINC000539245652 1047742683 /nfs/dbraw/zinc/74/26/83/1047742683.db2.gz FBFKMNUFXWZHNO-NSHDSACASA-N 1 2 320.314 4.150 20 30 DIEDLO N#CCc1cc[nH+]c(NCCCc2ccc(C(F)(F)F)cc2)c1 ZINC001158460820 1047781233 /nfs/dbraw/zinc/78/12/33/1047781233.db2.gz CJPOTGVKKHIXEY-UHFFFAOYSA-N 1 2 319.330 4.211 20 30 DIEDLO Cc1ccc(Nc2ccc(OC(F)(F)F)cc2C#N)c(C)[nH+]1 ZINC001203380659 1047792477 /nfs/dbraw/zinc/79/24/77/1047792477.db2.gz LPPZJAZOAMKPEV-UHFFFAOYSA-N 1 2 307.275 4.212 20 30 DIEDLO COc1cc[nH+]c(N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)c1 ZINC001158795268 1047799635 /nfs/dbraw/zinc/79/96/35/1047799635.db2.gz IJOAHSDNIPSGHH-OAHLLOKOSA-N 1 2 322.408 4.295 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+]C1CCC(C2CCC2)CC1)C(=O)OCC ZINC001183312308 1047916715 /nfs/dbraw/zinc/91/67/15/1047916715.db2.gz HUSGZRICDASGPG-GPANFISMSA-N 1 2 313.869 4.009 20 30 DIEDLO C=C(Cl)C[C@@H]([NH2+][C@@H](C)CCC1CCCC1)C(=O)OCC ZINC001183311833 1047917744 /nfs/dbraw/zinc/91/77/44/1047917744.db2.gz GWXDSJIZENCYGE-DZGCQCFKSA-N 1 2 301.858 4.009 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1F ZINC000774620119 1047921052 /nfs/dbraw/zinc/92/10/52/1047921052.db2.gz IOFZTKNXOYOBFB-KRWDZBQOSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1F ZINC000774620119 1047921056 /nfs/dbraw/zinc/92/10/56/1047921056.db2.gz IOFZTKNXOYOBFB-KRWDZBQOSA-N 1 2 316.326 4.313 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001183768609 1047961318 /nfs/dbraw/zinc/96/13/18/1047961318.db2.gz JTQSUBLWALIEBZ-INIZCTEOSA-N 1 2 306.409 4.098 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001183768609 1047961325 /nfs/dbraw/zinc/96/13/25/1047961325.db2.gz JTQSUBLWALIEBZ-INIZCTEOSA-N 1 2 306.409 4.098 20 30 DIEDLO C=CC[C@@H]1CC[N@H+]1Cc1cc(Br)ccc1Cl ZINC001198491114 1047963897 /nfs/dbraw/zinc/96/38/97/1047963897.db2.gz OLJKYRUDQMVWFH-GFCCVEGCSA-N 1 2 300.627 4.253 20 30 DIEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cc(Br)ccc1Cl ZINC001198491114 1047963903 /nfs/dbraw/zinc/96/39/03/1047963903.db2.gz OLJKYRUDQMVWFH-GFCCVEGCSA-N 1 2 300.627 4.253 20 30 DIEDLO N#Cc1cnc(Cl)cc1NC(=[NH2+])c1cccc2ccccc21 ZINC001160502174 1048059434 /nfs/dbraw/zinc/05/94/34/1048059434.db2.gz UEHXZNQKFNOLAE-UHFFFAOYSA-N 1 2 306.756 4.197 20 30 DIEDLO C=CC[N@H+]1CCC[C@H]1CNc1c(Cl)cc(Cl)nc1Cl ZINC001160953076 1048099786 /nfs/dbraw/zinc/09/97/86/1048099786.db2.gz PPZQTURETJIFAP-VIFPVBQESA-N 1 2 320.651 4.104 20 30 DIEDLO C=CC[N@@H+]1CCC[C@H]1CNc1c(Cl)cc(Cl)nc1Cl ZINC001160953076 1048099802 /nfs/dbraw/zinc/09/98/02/1048099802.db2.gz PPZQTURETJIFAP-VIFPVBQESA-N 1 2 320.651 4.104 20 30 DIEDLO COc1ccc(C2(Nc3[nH+]ccc4ccc(C#N)cc43)CC2)cc1 ZINC001161260407 1048117789 /nfs/dbraw/zinc/11/77/89/1048117789.db2.gz HQQRWNUKYQJJNU-UHFFFAOYSA-N 1 2 315.376 4.216 20 30 DIEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1C(F)(F)F ZINC001213031558 1048119287 /nfs/dbraw/zinc/11/92/87/1048119287.db2.gz GEHSYIKCEQWALS-UHFFFAOYSA-N 1 2 302.259 4.197 20 30 DIEDLO N#Cc1ccc(C(F)(F)F)c(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213032403 1048127371 /nfs/dbraw/zinc/12/73/71/1048127371.db2.gz DFFXJYAYALKILP-UHFFFAOYSA-N 1 2 302.259 4.197 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1cccs1)C1CC1 ZINC000480502807 1048159734 /nfs/dbraw/zinc/15/97/34/1048159734.db2.gz AZVZKFUOCNENLD-UHFFFAOYSA-N 1 2 302.830 4.438 20 30 DIEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000480502807 1048159740 /nfs/dbraw/zinc/15/97/40/1048159740.db2.gz AZVZKFUOCNENLD-UHFFFAOYSA-N 1 2 302.830 4.438 20 30 DIEDLO CN(C)c1ccc(Nc2ccc(Cl)c(C#N)c2Cl)c[nH+]1 ZINC001175343564 1048249834 /nfs/dbraw/zinc/24/98/34/1048249834.db2.gz ILFXMXJEUAGNRH-UHFFFAOYSA-N 1 2 307.184 4.070 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001201459395 1048269481 /nfs/dbraw/zinc/26/94/81/1048269481.db2.gz GDNSCBOIOXPJOY-DFSFMLJYSA-N 1 2 319.246 4.048 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001201459395 1048269492 /nfs/dbraw/zinc/26/94/92/1048269492.db2.gz GDNSCBOIOXPJOY-DFSFMLJYSA-N 1 2 319.246 4.048 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](C/C(Br)=C/c2ccccc2)CC1 ZINC001201461273 1048269854 /nfs/dbraw/zinc/26/98/54/1048269854.db2.gz YNTFTZFAOWVGJZ-DFSFMLJYSA-N 1 2 319.246 4.048 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](C/C(Br)=C/c2ccccc2)CC1 ZINC001201461273 1048269864 /nfs/dbraw/zinc/26/98/64/1048269864.db2.gz YNTFTZFAOWVGJZ-DFSFMLJYSA-N 1 2 319.246 4.048 20 30 DIEDLO Cc1cc(C#N)c(Nc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC001175352231 1048273577 /nfs/dbraw/zinc/27/35/77/1048273577.db2.gz HKZBVBMKBMBNIS-UHFFFAOYSA-N 1 2 312.804 4.259 20 30 DIEDLO COc1cc(C#N)c(Nc2ccc([NH2+]C(C)C)cc2)cc1OC ZINC001201498181 1048286414 /nfs/dbraw/zinc/28/64/14/1048286414.db2.gz RCXMARLKIXDVPQ-UHFFFAOYSA-N 1 2 311.385 4.139 20 30 DIEDLO COc1ccc(C#N)cc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001201584180 1048324471 /nfs/dbraw/zinc/32/44/71/1048324471.db2.gz OIFNGEBSDRRVHO-UHFFFAOYSA-N 1 2 307.397 4.301 20 30 DIEDLO C[N@@H+]1CCCC(=Nc2sc3cc(Cl)ccc3c2C#N)C1 ZINC001175575012 1048375952 /nfs/dbraw/zinc/37/59/52/1048375952.db2.gz JSYGBRZUQIJWOL-UHFFFAOYSA-N 1 2 303.818 4.058 20 30 DIEDLO C[N@H+]1CCCC(=Nc2sc3cc(Cl)ccc3c2C#N)C1 ZINC001175575012 1048375967 /nfs/dbraw/zinc/37/59/67/1048375967.db2.gz JSYGBRZUQIJWOL-UHFFFAOYSA-N 1 2 303.818 4.058 20 30 DIEDLO C=CC[C@@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1ccccc1 ZINC001162909964 1048386160 /nfs/dbraw/zinc/38/61/60/1048386160.db2.gz VYSNAVSDFMQZFK-SJLPKXTDSA-N 1 2 322.456 4.442 20 30 DIEDLO C=CC[C@@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1ccccc1 ZINC001162909964 1048386171 /nfs/dbraw/zinc/38/61/71/1048386171.db2.gz VYSNAVSDFMQZFK-SJLPKXTDSA-N 1 2 322.456 4.442 20 30 DIEDLO Cc1ccc(Nc2cc(F)c(Br)cc2C#N)c(C)[nH+]1 ZINC001203381246 1048483794 /nfs/dbraw/zinc/48/37/94/1048483794.db2.gz RTQOKYSXORTXRX-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO Cc1cc(Cl)cnc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163680652 1048504010 /nfs/dbraw/zinc/50/40/10/1048504010.db2.gz VADOLWLGBTVLMU-UHFFFAOYSA-N 1 2 313.710 4.099 20 30 DIEDLO Cc1cccc2c(C)cc(N3CCc4cc(C#N)ccc4C3)[nH+]c12 ZINC001164477930 1048632673 /nfs/dbraw/zinc/63/26/73/1048632673.db2.gz VVJWCOBPUPCITE-UHFFFAOYSA-N 1 2 313.404 4.286 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000775398042 1048754675 /nfs/dbraw/zinc/75/46/75/1048754675.db2.gz DLBNKGVEODIKPL-HNNXBMFYSA-N 1 2 308.406 4.257 20 30 DIEDLO CCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1c(F)cccc1Cl ZINC000483184587 1048754849 /nfs/dbraw/zinc/75/48/49/1048754849.db2.gz PLQUWFIIPDNEOR-UHFFFAOYSA-N 1 2 319.811 4.101 20 30 DIEDLO CCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1c(F)cccc1Cl ZINC000483184587 1048754861 /nfs/dbraw/zinc/75/48/61/1048754861.db2.gz PLQUWFIIPDNEOR-UHFFFAOYSA-N 1 2 319.811 4.101 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1csc([C@@H](C)OCC)n1)c1ccccc1 ZINC000775398360 1048764745 /nfs/dbraw/zinc/76/47/45/1048764745.db2.gz HJJJAZRVALDILC-PBHICJAKSA-N 1 2 314.454 4.095 20 30 DIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(-c2cccc(F)c2F)o1)C1CC1 ZINC000483270877 1048768366 /nfs/dbraw/zinc/76/83/66/1048768366.db2.gz OIYXLURDNVYNEG-GFCCVEGCSA-N 1 2 316.351 4.349 20 30 DIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)C1CC1 ZINC000483270877 1048768376 /nfs/dbraw/zinc/76/83/76/1048768376.db2.gz OIYXLURDNVYNEG-GFCCVEGCSA-N 1 2 316.351 4.349 20 30 DIEDLO Cc1cc(C#N)cc(Cl)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750779 1048779499 /nfs/dbraw/zinc/77/94/99/1048779499.db2.gz MBMSOUUACPZKNV-UHFFFAOYSA-N 1 2 312.804 4.259 20 30 DIEDLO COc1cc(C)[nH+]c(CSc2cccc(C#N)c2Cl)c1 ZINC001166873005 1048807998 /nfs/dbraw/zinc/80/79/98/1048807998.db2.gz YZAVAHUYSWCCFD-UHFFFAOYSA-N 1 2 304.802 4.216 20 30 DIEDLO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328465 1048833081 /nfs/dbraw/zinc/83/30/81/1048833081.db2.gz FSFXMKXSXXNXFN-QUCCMNQESA-N 1 2 323.415 4.229 20 30 DIEDLO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328465 1048833099 /nfs/dbraw/zinc/83/30/99/1048833099.db2.gz FSFXMKXSXXNXFN-QUCCMNQESA-N 1 2 323.415 4.229 20 30 DIEDLO CC[N@@H+](CCC#N)CCOc1ccc(Oc2ccccc2)cc1 ZINC001191367666 1048934636 /nfs/dbraw/zinc/93/46/36/1048934636.db2.gz SEBBESBSKOESFJ-UHFFFAOYSA-N 1 2 310.397 4.093 20 30 DIEDLO CC[N@H+](CCC#N)CCOc1ccc(Oc2ccccc2)cc1 ZINC001191367666 1048934651 /nfs/dbraw/zinc/93/46/51/1048934651.db2.gz SEBBESBSKOESFJ-UHFFFAOYSA-N 1 2 310.397 4.093 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)c1 ZINC001203656917 1048951804 /nfs/dbraw/zinc/95/18/04/1048951804.db2.gz CNWKGRMVOPWNIN-UHFFFAOYSA-N 1 2 323.787 4.153 20 30 DIEDLO CCCCCCCC[C@H](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000775536565 1049123361 /nfs/dbraw/zinc/12/33/61/1049123361.db2.gz IXHWTVDJNKWBRH-INIZCTEOSA-N 1 2 305.466 4.043 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001205049233 1049353798 /nfs/dbraw/zinc/35/37/98/1049353798.db2.gz DKGYTFCQMNWUQN-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001205049233 1049353806 /nfs/dbraw/zinc/35/38/06/1049353806.db2.gz DKGYTFCQMNWUQN-NSHDSACASA-N 1 2 316.754 4.484 20 30 DIEDLO COc1ccc(C#N)cc1COc1cc(C)[nH+]c2ccccc21 ZINC000486207626 1049401914 /nfs/dbraw/zinc/40/19/14/1049401914.db2.gz VHFYHLNFWUEBEQ-UHFFFAOYSA-N 1 2 304.349 4.003 20 30 DIEDLO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000027209637 1049411309 /nfs/dbraw/zinc/41/13/09/1049411309.db2.gz NOSMQLNQVQQDIX-DNVCBOLYSA-N 1 2 323.827 4.463 20 30 DIEDLO CCCCCCC[C@@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001181122941 1049443075 /nfs/dbraw/zinc/44/30/75/1049443075.db2.gz ZENJQHOJJMTDLB-OAHLLOKOSA-N 1 2 305.466 4.112 20 30 DIEDLO CCCCCCC[C@@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001181122941 1049443085 /nfs/dbraw/zinc/44/30/85/1049443085.db2.gz ZENJQHOJJMTDLB-OAHLLOKOSA-N 1 2 305.466 4.112 20 30 DIEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccccc2Cl)s1 ZINC001317697459 1049467846 /nfs/dbraw/zinc/46/78/46/1049467846.db2.gz AAYABAUIHGKBKB-UHFFFAOYSA-N 1 2 308.838 4.089 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC)c1ccc(F)cc1 ZINC001205973772 1049614376 /nfs/dbraw/zinc/61/43/76/1049614376.db2.gz GHTHCGLZCAZAMY-KRWDZBQOSA-N 1 2 317.791 4.342 20 30 DIEDLO CCCc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794695947 1049672812 /nfs/dbraw/zinc/67/28/12/1049672812.db2.gz BDTYJEXSMAHVIY-ZHACJKMWSA-N 1 2 314.454 4.053 20 30 DIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(COc2ccccc2)n1 ZINC000489394775 1049753359 /nfs/dbraw/zinc/75/33/59/1049753359.db2.gz DLJZWWHCMWGCMK-MRXNPFEDSA-N 1 2 314.454 4.263 20 30 DIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(COc2ccccc2)n1 ZINC000489394775 1049753372 /nfs/dbraw/zinc/75/33/72/1049753372.db2.gz DLJZWWHCMWGCMK-MRXNPFEDSA-N 1 2 314.454 4.263 20 30 DIEDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1C#N ZINC000489616986 1049770311 /nfs/dbraw/zinc/77/03/11/1049770311.db2.gz AGFFASRTGOZESE-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1C#N ZINC000489616986 1049770317 /nfs/dbraw/zinc/77/03/17/1049770317.db2.gz AGFFASRTGOZESE-UHFFFAOYSA-N 1 2 322.305 4.348 20 30 DIEDLO CC(C)[N@H+](Cc1ccccc1F)Cc1ccc(F)cc1C#N ZINC000489646489 1049773270 /nfs/dbraw/zinc/77/32/70/1049773270.db2.gz GTBNFZSLWREHPS-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC(C)[N@@H+](Cc1ccccc1F)Cc1ccc(F)cc1C#N ZINC000489646489 1049773279 /nfs/dbraw/zinc/77/32/79/1049773279.db2.gz GTBNFZSLWREHPS-UHFFFAOYSA-N 1 2 300.352 4.247 20 30 DIEDLO CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001207412889 1049889379 /nfs/dbraw/zinc/88/93/79/1049889379.db2.gz MTCKPKZGPXYKPJ-ROUUACIJSA-N 1 2 304.478 4.032 20 30 DIEDLO CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCCC[C@H]2C#N)CC1 ZINC001207412889 1049889384 /nfs/dbraw/zinc/88/93/84/1049889384.db2.gz MTCKPKZGPXYKPJ-ROUUACIJSA-N 1 2 304.478 4.032 20 30 DIEDLO C=CCCCCCCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001207826540 1049942853 /nfs/dbraw/zinc/94/28/53/1049942853.db2.gz QBYBPMHLPFQCJG-UHFFFAOYSA-N 1 2 314.433 4.373 20 30 DIEDLO N#Cc1cc(Br)ccc1C[NH+]1C2CCCC1CCC2 ZINC000588201583 1049975485 /nfs/dbraw/zinc/97/54/85/1049975485.db2.gz PTRXBBPEDPNYBE-UHFFFAOYSA-N 1 2 319.246 4.228 20 30 DIEDLO C[C@@H](C[N@@H+]1CC[C@H]2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710080 1050005313 /nfs/dbraw/zinc/00/53/13/1050005313.db2.gz NSEDMYHEPGTZPK-IFXJQAMLSA-N 1 2 323.461 4.217 20 30 DIEDLO C[C@@H](C[N@H+]1CC[C@H]2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710080 1050005318 /nfs/dbraw/zinc/00/53/18/1050005318.db2.gz NSEDMYHEPGTZPK-IFXJQAMLSA-N 1 2 323.461 4.217 20 30 DIEDLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3cccc(C#N)c3)nc2c1 ZINC000589162762 1050024097 /nfs/dbraw/zinc/02/40/97/1050024097.db2.gz LYQLGYBVESHJEE-IBGZPJMESA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3cccc(C#N)c3)nc2c1 ZINC000589162762 1050024102 /nfs/dbraw/zinc/02/41/02/1050024102.db2.gz LYQLGYBVESHJEE-IBGZPJMESA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3Cc3cccc(C#N)c3)[nH]c2c1 ZINC000589162762 1050024107 /nfs/dbraw/zinc/02/41/07/1050024107.db2.gz LYQLGYBVESHJEE-IBGZPJMESA-N 1 2 316.408 4.080 20 30 DIEDLO Cc1ccc2nc([C@@H]3CCC[N@H+]3Cc3cccc(C#N)c3)[nH]c2c1 ZINC000589162762 1050024111 /nfs/dbraw/zinc/02/41/11/1050024111.db2.gz LYQLGYBVESHJEE-IBGZPJMESA-N 1 2 316.408 4.080 20 30 DIEDLO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000589511480 1050042331 /nfs/dbraw/zinc/04/23/31/1050042331.db2.gz NJEPMHDQXOCKDJ-PMXLPMHFSA-N 1 2 320.383 4.317 20 30 DIEDLO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000589511480 1050042333 /nfs/dbraw/zinc/04/23/33/1050042333.db2.gz NJEPMHDQXOCKDJ-PMXLPMHFSA-N 1 2 320.383 4.317 20 30 DIEDLO N#Cc1cc(-c2ccccc2)oc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209843750 1050093836 /nfs/dbraw/zinc/09/38/36/1050093836.db2.gz HIWIWZYASQNLQB-UHFFFAOYSA-N 1 2 300.321 4.438 20 30 DIEDLO C#Cc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc1 ZINC001210115833 1050139394 /nfs/dbraw/zinc/13/93/94/1050139394.db2.gz QTHAGLPSLDYMSR-UHFFFAOYSA-N 1 2 309.369 4.154 20 30 DIEDLO COc1cccc2c1[nH+]cc(C)c2N1CCC(CCC#N)CC1 ZINC000573365782 1050163183 /nfs/dbraw/zinc/16/31/83/1050163183.db2.gz WUYZBOSUHQJDGL-UHFFFAOYSA-N 1 2 309.413 4.072 20 30 DIEDLO N#Cc1cnnc(-c2ccccc2)c1Nc1cccc2cc[nH+]cc21 ZINC001210226444 1050168179 /nfs/dbraw/zinc/16/81/79/1050168179.db2.gz WMQLXPOWJXCNRX-UHFFFAOYSA-N 1 2 323.359 4.307 20 30 DIEDLO CC(C)Oc1ccc(NC(=[NH2+])c2ccc3ccccc3n2)cc1 ZINC001171048096 1050187386 /nfs/dbraw/zinc/18/73/86/1050187386.db2.gz JJGDKNCHMWYJMG-UHFFFAOYSA-N 1 2 305.381 4.059 20 30 DIEDLO Cc1cc(OC(C)C)ccc1NC(=[NH2+])c1ccc2ccccc2n1 ZINC001171048868 1050190139 /nfs/dbraw/zinc/19/01/39/1050190139.db2.gz XSQACIUNQZLULO-UHFFFAOYSA-N 1 2 319.408 4.367 20 30 DIEDLO CC(C)COc1cc(N[C@@H]2CCc3c2cccc3C#N)cc[nH+]1 ZINC001171062929 1050234910 /nfs/dbraw/zinc/23/49/10/1050234910.db2.gz DHSONNCVIKTYQN-GOSISDBHSA-N 1 2 307.397 4.087 20 30 DIEDLO N#CCC[N@@H+](Cc1c[nH]c2cccc(F)c12)Cc1ccccc1 ZINC001136977450 1050266823 /nfs/dbraw/zinc/26/68/23/1050266823.db2.gz ZUKVACFCCRLKSW-UHFFFAOYSA-N 1 2 307.372 4.223 20 30 DIEDLO N#CCC[N@H+](Cc1c[nH]c2cccc(F)c12)Cc1ccccc1 ZINC001136977450 1050266839 /nfs/dbraw/zinc/26/68/39/1050266839.db2.gz ZUKVACFCCRLKSW-UHFFFAOYSA-N 1 2 307.372 4.223 20 30 DIEDLO N#Cc1cnccc1C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000592125652 1050272388 /nfs/dbraw/zinc/27/23/88/1050272388.db2.gz ZCALYJIYUXTRDG-LJQANCHMSA-N 1 2 303.409 4.071 20 30 DIEDLO N#Cc1cnccc1C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000592125652 1050272405 /nfs/dbraw/zinc/27/24/05/1050272405.db2.gz ZCALYJIYUXTRDG-LJQANCHMSA-N 1 2 303.409 4.071 20 30 DIEDLO CSc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1 ZINC000771852244 1050291210 /nfs/dbraw/zinc/29/12/10/1050291210.db2.gz YUUKZCGZPHMRTQ-RMKNXTFCSA-N 1 2 308.406 4.261 20 30 DIEDLO CCOc1cccc(/C=[NH+]\CCC2CC(OC(C)(C)C)C2)c1O ZINC000760990551 1050329196 /nfs/dbraw/zinc/32/91/96/1050329196.db2.gz PXRHMNBNIASVMS-MOSHPQCFSA-N 1 2 319.445 4.194 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(F)c(OCC)c(Cl)c1 ZINC001143741339 1050348341 /nfs/dbraw/zinc/34/83/41/1050348341.db2.gz OMNVYOFGOXUKSF-UHFFFAOYSA-N 1 2 312.816 4.394 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)c(OCC)c(Cl)c1 ZINC001143741339 1050348351 /nfs/dbraw/zinc/34/83/51/1050348351.db2.gz OMNVYOFGOXUKSF-UHFFFAOYSA-N 1 2 312.816 4.394 20 30 DIEDLO Cc1cc(Oc2ccc(NC3=CC(=O)C[C@@H](C)C3)cc2)cc[nH+]1 ZINC001210774846 1050368672 /nfs/dbraw/zinc/36/86/72/1050368672.db2.gz IKCPOTZYMRFSSH-ZDUSSCGKSA-N 1 2 308.381 4.477 20 30 DIEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(-c2ccccc2)cn1 ZINC000593653924 1050432457 /nfs/dbraw/zinc/43/24/57/1050432457.db2.gz JWCLINMOUJRBFK-INIZCTEOSA-N 1 2 305.425 4.483 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000574330127 1050440752 /nfs/dbraw/zinc/44/07/52/1050440752.db2.gz RMOZCCZIXYPZAS-HNNXBMFYSA-N 1 2 311.429 4.325 20 30 DIEDLO N#Cc1cc(Nc2ccc([NH+]3CCCCC3)cc2)cc([N+](=O)[O-])c1 ZINC001211329614 1050546526 /nfs/dbraw/zinc/54/65/26/1050546526.db2.gz AZVJVGXEROVEEJ-UHFFFAOYSA-N 1 2 322.368 4.200 20 30 DIEDLO Cc1cccc2[nH]c(CNc3[nH+]cccc3OCCCC#N)cc21 ZINC000594735186 1050549792 /nfs/dbraw/zinc/54/97/92/1050549792.db2.gz NXWVRFQHCBXMOF-UHFFFAOYSA-N 1 2 320.396 4.166 20 30 DIEDLO [NH2+]=C(Nc1ccc2[nH]ccc2c1F)c1ccc2cc(O)ccc2c1 ZINC001171185342 1050586527 /nfs/dbraw/zinc/58/65/27/1050586527.db2.gz HHNOYRFSCHHQPP-UHFFFAOYSA-N 1 2 319.339 4.203 20 30 DIEDLO N#Cc1cc(F)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(Cl)c1 ZINC001213091127 1050586400 /nfs/dbraw/zinc/58/64/00/1050586400.db2.gz XKIUDUBJZCCGOL-UHFFFAOYSA-N 1 2 312.735 4.484 20 30 DIEDLO Cc1ccnc(C#N)c1Nc1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC001212614667 1050596301 /nfs/dbraw/zinc/59/63/01/1050596301.db2.gz UEIRZJWTXXKSCA-UHFFFAOYSA-N 1 2 321.428 4.169 20 30 DIEDLO N#CC1(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CCCCC1 ZINC000595090617 1050610330 /nfs/dbraw/zinc/61/03/30/1050610330.db2.gz JGAIJSGCGLYZPU-IBGZPJMESA-N 1 2 323.415 4.374 20 30 DIEDLO CC(C)Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000740763357 1050623690 /nfs/dbraw/zinc/62/36/90/1050623690.db2.gz AEVBQKNOXWADML-ZHACJKMWSA-N 1 2 304.393 4.429 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000595623588 1050653152 /nfs/dbraw/zinc/65/31/52/1050653152.db2.gz UMPHUCMJIPPOSI-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000595623588 1050653163 /nfs/dbraw/zinc/65/31/63/1050653163.db2.gz UMPHUCMJIPPOSI-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611114 1050657288 /nfs/dbraw/zinc/65/72/88/1050657288.db2.gz HDAAYAMODYROGP-OLZOCXBDSA-N 1 2 318.371 4.118 20 30 DIEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611114 1050657294 /nfs/dbraw/zinc/65/72/94/1050657294.db2.gz HDAAYAMODYROGP-OLZOCXBDSA-N 1 2 318.371 4.118 20 30 DIEDLO CC[N@H+](CCCCOc1ccccc1C(F)(F)F)[C@@H](C)C#N ZINC000595813449 1050668581 /nfs/dbraw/zinc/66/85/81/1050668581.db2.gz NAHQYDHJYXUDPH-ZDUSSCGKSA-N 1 2 314.351 4.098 20 30 DIEDLO CC[N@@H+](CCCCOc1ccccc1C(F)(F)F)[C@@H](C)C#N ZINC000595813449 1050668584 /nfs/dbraw/zinc/66/85/84/1050668584.db2.gz NAHQYDHJYXUDPH-ZDUSSCGKSA-N 1 2 314.351 4.098 20 30 DIEDLO Cc1[nH+]cc(C2CC2)cc1Nc1c(C#N)cnn1-c1ccccc1 ZINC001213491312 1050670368 /nfs/dbraw/zinc/67/03/68/1050670368.db2.gz GTNDHTNCHXGULH-UHFFFAOYSA-N 1 2 315.380 4.068 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000595844534 1050674044 /nfs/dbraw/zinc/67/40/44/1050674044.db2.gz UOZVDWWYANXQLT-HOTGVXAUSA-N 1 2 319.246 4.062 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000595844534 1050674057 /nfs/dbraw/zinc/67/40/57/1050674057.db2.gz UOZVDWWYANXQLT-HOTGVXAUSA-N 1 2 319.246 4.062 20 30 DIEDLO Cc1cc(C)c(Nc2ccc(Br)c(C#N)c2)c[nH+]1 ZINC001213515871 1050676718 /nfs/dbraw/zinc/67/67/18/1050676718.db2.gz QASXRHLPKPMNHG-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO Cc1cc(C)c(Nc2c(C#N)cnn2-c2cccc(Cl)c2)c[nH+]1 ZINC001213508244 1050676836 /nfs/dbraw/zinc/67/68/36/1050676836.db2.gz OBAMFRHZTCJBJH-UHFFFAOYSA-N 1 2 323.787 4.153 20 30 DIEDLO Cc1cc(C)c(Nc2cc(Br)ccc2C#N)c[nH+]1 ZINC001213513470 1050677628 /nfs/dbraw/zinc/67/76/28/1050677628.db2.gz MGVHENGSZNPHFW-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1Cl ZINC001144731944 1050685482 /nfs/dbraw/zinc/68/54/82/1050685482.db2.gz GPHUDOZGZLCMDX-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1Cl ZINC001144731944 1050685490 /nfs/dbraw/zinc/68/54/90/1050685490.db2.gz GPHUDOZGZLCMDX-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO CCCOc1cccc2c(N3CCC[C@H](CC#N)C3)cc[nH+]c12 ZINC000596324901 1050707781 /nfs/dbraw/zinc/70/77/81/1050707781.db2.gz FLUXRWRRQJOSSO-OAHLLOKOSA-N 1 2 309.413 4.154 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc(F)cc1 ZINC000737442215 1050724374 /nfs/dbraw/zinc/72/43/74/1050724374.db2.gz AFZSGCPRQZEIBR-SREVYHEPSA-N 1 2 300.720 4.023 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc(F)cc1F ZINC000737443202 1050725403 /nfs/dbraw/zinc/72/54/03/1050725403.db2.gz INYJFHFKPUOUDI-HYXAFXHYSA-N 1 2 318.710 4.162 20 30 DIEDLO N#Cc1cccc(C2([NH2+][C@H]3COCc4cccc(Cl)c43)CC2)c1 ZINC000788828641 1050759894 /nfs/dbraw/zinc/75/98/94/1050759894.db2.gz VLGPMTQDDPEBOU-KRWDZBQOSA-N 1 2 324.811 4.062 20 30 DIEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)c(Cl)c1 ZINC001213989792 1050794782 /nfs/dbraw/zinc/79/47/82/1050794782.db2.gz NTSAXBYTPQJIDE-UHFFFAOYSA-N 1 2 312.804 4.341 20 30 DIEDLO C=CCc1cccc(C(C)C)c1NC(=O)c1cccc2[nH+]ccn21 ZINC000789721189 1050876653 /nfs/dbraw/zinc/87/66/53/1050876653.db2.gz YQAWQBHTRVZQMM-UHFFFAOYSA-N 1 2 319.408 4.439 20 30 DIEDLO CCCCCCCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000746864610 1050895205 /nfs/dbraw/zinc/89/52/05/1050895205.db2.gz GKLJFDJVAPLKNP-UHFFFAOYSA-N 1 2 306.450 4.026 20 30 DIEDLO C(=NNc1cccc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000747060523 1051128822 /nfs/dbraw/zinc/12/88/22/1051128822.db2.gz VGLTYTHJDXHNMV-UHFFFAOYSA-N 1 2 312.376 4.472 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccnc2ccccc12 ZINC001204081311 1051274939 /nfs/dbraw/zinc/27/49/39/1051274939.db2.gz BKGNGJFYPDEBQH-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccnc2ccccc12 ZINC001204081311 1051274950 /nfs/dbraw/zinc/27/49/50/1051274950.db2.gz BKGNGJFYPDEBQH-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO Cn1c[nH+]c2ccc(N[C@](C)(C#N)c3ccccc3Cl)cc21 ZINC001169380597 1051598992 /nfs/dbraw/zinc/59/89/92/1051598992.db2.gz DMXODSBEDGQINO-QGZVFWFLSA-N 1 2 310.788 4.078 20 30 DIEDLO Cc1cc2[nH+]ccn2cc1N[C@@](C)(C#N)c1ccccc1Cl ZINC001169389566 1051605989 /nfs/dbraw/zinc/60/59/89/1051605989.db2.gz SMSUXBOMRJYOQK-KRWDZBQOSA-N 1 2 310.788 4.147 20 30 DIEDLO Cc1cccn2c(/C=C3/C(=O)c4cccc(C)c4[C@H]3C)c[nH+]c12 ZINC000766696612 1051613146 /nfs/dbraw/zinc/61/31/46/1051613146.db2.gz VWDHJBCXSKOTCC-FBJMNJBLSA-N 1 2 302.377 4.335 20 30 DIEDLO CCCc1cc(NC23CCC(C#N)(CC2)CC3)nc(CCC)[nH+]1 ZINC001169748273 1051685840 /nfs/dbraw/zinc/68/58/40/1051685840.db2.gz QXTSKKIYDYQTHS-UHFFFAOYSA-N 1 2 312.461 4.410 20 30 DIEDLO Cc1cc(NC23CCC(C#N)(CC2)CC3)[nH+]cc1C(F)(F)F ZINC001169746786 1051686224 /nfs/dbraw/zinc/68/62/24/1051686224.db2.gz OIUWKMKGECGFJZ-UHFFFAOYSA-N 1 2 309.335 4.437 20 30 DIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185743681 1051780788 /nfs/dbraw/zinc/78/07/88/1051780788.db2.gz PBGLXVAHIJQBHX-HOTGVXAUSA-N 1 2 315.486 4.043 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)c(F)c1F)[C@@H]1CCc2ccccc21 ZINC001137939437 1051863763 /nfs/dbraw/zinc/86/37/63/1051863763.db2.gz XYRWYTWISSCNAD-QGZVFWFLSA-N 1 2 315.338 4.227 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)c(F)c1F)[C@@H]1CCc2ccccc21 ZINC001137939437 1051863770 /nfs/dbraw/zinc/86/37/70/1051863770.db2.gz XYRWYTWISSCNAD-QGZVFWFLSA-N 1 2 315.338 4.227 20 30 DIEDLO Cc1cc2ccccc2[nH+]c1NCc1ccc(OCC#N)cc1 ZINC000768524479 1051939161 /nfs/dbraw/zinc/93/91/61/1051939161.db2.gz PINRANRHBGDOBJ-UHFFFAOYSA-N 1 2 303.365 4.058 20 30 DIEDLO C#CC[N@H+](Cc1cnc(C2CCC2)s1)Cc1ccc(F)cc1 ZINC000769146386 1052000137 /nfs/dbraw/zinc/00/01/37/1052000137.db2.gz UKALWKWMBAPZMG-UHFFFAOYSA-N 1 2 314.429 4.185 20 30 DIEDLO C#CC[N@@H+](Cc1cnc(C2CCC2)s1)Cc1ccc(F)cc1 ZINC000769146386 1052000146 /nfs/dbraw/zinc/00/01/46/1052000146.db2.gz UKALWKWMBAPZMG-UHFFFAOYSA-N 1 2 314.429 4.185 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc2cc(O)ccc2c1 ZINC000769611078 1052086395 /nfs/dbraw/zinc/08/63/95/1052086395.db2.gz VNHQUYFQAPKVKA-VQHVLOKHSA-N 1 2 314.344 4.089 20 30 DIEDLO CCSc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000769615970 1052088609 /nfs/dbraw/zinc/08/86/09/1052088609.db2.gz UQMTXUPEQLCZBH-FLIBITNWSA-N 1 2 308.406 4.342 20 30 DIEDLO Cc1cc(C#N)c(N=C2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC001174392706 1052115584 /nfs/dbraw/zinc/11/55/84/1052115584.db2.gz IHQBOIWEQCSOCR-UHFFFAOYSA-N 1 2 309.438 4.130 20 30 DIEDLO Cc1cc(C#N)c(N=C2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC001174392706 1052115588 /nfs/dbraw/zinc/11/55/88/1052115588.db2.gz IHQBOIWEQCSOCR-UHFFFAOYSA-N 1 2 309.438 4.130 20 30 DIEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000769961024 1052130011 /nfs/dbraw/zinc/13/00/11/1052130011.db2.gz LTVRUBRDVBPGFN-NSHDSACASA-N 1 2 324.371 4.282 20 30 DIEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000769961024 1052130019 /nfs/dbraw/zinc/13/00/19/1052130019.db2.gz LTVRUBRDVBPGFN-NSHDSACASA-N 1 2 324.371 4.282 20 30 DIEDLO Cc1cc(C#N)cc(C#N)c1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174383252 1052142634 /nfs/dbraw/zinc/14/26/34/1052142634.db2.gz KWSOIXXWTCGYJW-UHFFFAOYSA-N 1 2 315.380 4.413 20 30 DIEDLO N#Cc1cc(Nc2cc[nH+]c3[nH]ccc32)cc(C(F)(F)F)c1 ZINC001174413516 1052167088 /nfs/dbraw/zinc/16/70/88/1052167088.db2.gz NGJAYBKXOGZRIB-UHFFFAOYSA-N 1 2 302.259 4.149 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cn1ccn(C(C)C)c1=S ZINC000914570587 1052170007 /nfs/dbraw/zinc/17/00/07/1052170007.db2.gz SBSHKSGSLMQPEW-UHFFFAOYSA-N 1 2 301.459 4.246 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cn1ccn(C(C)C)c1=S ZINC000914570587 1052170014 /nfs/dbraw/zinc/17/00/14/1052170014.db2.gz SBSHKSGSLMQPEW-UHFFFAOYSA-N 1 2 301.459 4.246 20 30 DIEDLO CCCCCCCCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762258437 1052358325 /nfs/dbraw/zinc/35/83/25/1052358325.db2.gz JEQXUXJMJJAMRK-UHFFFAOYSA-N 1 2 301.434 4.091 20 30 DIEDLO CCCCCCC[C@@H](C)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001221270296 1052384442 /nfs/dbraw/zinc/38/44/42/1052384442.db2.gz CPUGCTCPGXUDPN-OAHLLOKOSA-N 1 2 319.493 4.494 20 30 DIEDLO Cc1cc(C#N)cc(C)c1-c1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001222672941 1052525215 /nfs/dbraw/zinc/52/52/15/1052525215.db2.gz VQIGHUCLJYXFEY-UHFFFAOYSA-N 1 2 300.352 4.182 20 30 DIEDLO C(=[NH+]Nc1cccc2ncccc21)c1ccc(N2CCCCC2)o1 ZINC000915963624 1052575052 /nfs/dbraw/zinc/57/50/52/1052575052.db2.gz ICXWHMNJTAAQBS-UHFFFAOYSA-N 1 2 320.396 4.264 20 30 DIEDLO CC(C)CN[NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000916365489 1052605000 /nfs/dbraw/zinc/60/50/00/1052605000.db2.gz AJLDKTMKQYKIII-UHFFFAOYSA-N 1 2 308.838 4.120 20 30 DIEDLO CC(=[NH+]Nc1ccnc2cc(Cl)ccc21)c1ccc(N)cc1 ZINC000916541393 1052613562 /nfs/dbraw/zinc/61/35/62/1052613562.db2.gz SIXYGYZZIPIIQY-UHFFFAOYSA-N 1 2 310.788 4.307 20 30 DIEDLO Clc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)cc1 ZINC000917563122 1052736954 /nfs/dbraw/zinc/73/69/54/1052736954.db2.gz FVUKJVHBPBTDRA-UHFFFAOYSA-N 1 2 303.793 4.369 20 30 DIEDLO C=CC[N@H+](Cc1csc(COc2ccccc2)n1)C(C)C ZINC000918739247 1052828663 /nfs/dbraw/zinc/82/86/63/1052828663.db2.gz HGBDTJKTEWSTBP-UHFFFAOYSA-N 1 2 302.443 4.119 20 30 DIEDLO C=CC[N@@H+](Cc1csc(COc2ccccc2)n1)C(C)C ZINC000918739247 1052828667 /nfs/dbraw/zinc/82/86/67/1052828667.db2.gz HGBDTJKTEWSTBP-UHFFFAOYSA-N 1 2 302.443 4.119 20 30 DIEDLO CC[N@@H+](Cc1c(-c2ccccc2)nc2sccn12)C[C@@H](C)C#N ZINC000919741945 1052885958 /nfs/dbraw/zinc/88/59/58/1052885958.db2.gz JLVWNLVBEHAPGL-AWEZNQCLSA-N 1 2 324.453 4.044 20 30 DIEDLO CC[N@H+](Cc1c(-c2ccccc2)nc2sccn12)C[C@@H](C)C#N ZINC000919741945 1052885963 /nfs/dbraw/zinc/88/59/63/1052885963.db2.gz JLVWNLVBEHAPGL-AWEZNQCLSA-N 1 2 324.453 4.044 20 30 DIEDLO COc1ccccc1CC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000920943672 1052956025 /nfs/dbraw/zinc/95/60/25/1052956025.db2.gz BRHQOIOSWYXGCE-STZFKDTASA-N 1 2 305.377 4.216 20 30 DIEDLO N#CC1(c2ccc(Nc3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC001212253341 1052966086 /nfs/dbraw/zinc/96/60/86/1052966086.db2.gz ICSOPJGRQJQNRG-UHFFFAOYSA-N 1 2 300.365 4.171 20 30 DIEDLO Cc1cc[nH+]c(C)c1O[C@@H](C)C(F)(F)C(F)(F)C(F)(F)F ZINC001227259635 1052977544 /nfs/dbraw/zinc/97/75/44/1052977544.db2.gz KMYCZFDWHWJFFG-QMMMGPOBSA-N 1 2 319.220 4.299 20 30 DIEDLO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181737313 1053285663 /nfs/dbraw/zinc/28/56/63/1053285663.db2.gz LSZTWFGGTQZMOM-LLVKDONJSA-N 1 2 318.779 4.210 20 30 DIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+]CC(C)(C)CCC#N ZINC000092160339 1053293010 /nfs/dbraw/zinc/29/30/10/1053293010.db2.gz OAHFFMICQCYNJS-UHFFFAOYSA-N 1 2 317.502 4.290 20 30 DIEDLO COc1cc(C)[nH+]c(CSCc2ccc(C#N)cc2Cl)c1 ZINC001320703106 1053356369 /nfs/dbraw/zinc/35/63/69/1053356369.db2.gz BAFHBTYEVKLNTC-UHFFFAOYSA-N 1 2 318.829 4.357 20 30 DIEDLO CCC[C@H](C)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229766527 1053401506 /nfs/dbraw/zinc/40/15/06/1053401506.db2.gz PZIFIVKUZJFWJH-ZDUSSCGKSA-N 1 2 320.396 4.144 20 30 DIEDLO C=C[C@@]1(C)CC[C@@H](Oc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)O1 ZINC001229954300 1053438882 /nfs/dbraw/zinc/43/88/82/1053438882.db2.gz MRRSWUPZCVURLM-MJGOQNOKSA-N 1 2 312.413 4.153 20 30 DIEDLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C#N)cc1 ZINC000182909300 1053542659 /nfs/dbraw/zinc/54/26/59/1053542659.db2.gz JWHXZTWDUFHOTH-ZDUSSCGKSA-N 1 2 306.344 4.056 20 30 DIEDLO C=C[C@]1(C)CC[C@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)C(C)(C)O1 ZINC001231081246 1053669241 /nfs/dbraw/zinc/66/92/41/1053669241.db2.gz KAQLJUQDNIEAMO-QFBILLFUSA-N 1 2 312.413 4.358 20 30 DIEDLO Cn1c[nH+]cc1-c1ccc(O[C@H](CC#N)c2ccccc2)cc1 ZINC001231084114 1053671347 /nfs/dbraw/zinc/67/13/47/1053671347.db2.gz WYPYDLHNTUMJJV-LJQANCHMSA-N 1 2 303.365 4.121 20 30 DIEDLO Cn1c[nH+]cc1-c1ccc(O[C@@H](CC#N)c2ccccc2)cc1 ZINC001231084113 1053671975 /nfs/dbraw/zinc/67/19/75/1053671975.db2.gz WYPYDLHNTUMJJV-IBGZPJMESA-N 1 2 303.365 4.121 20 30 DIEDLO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(-c3[nH]cc[nH+]3)cc2)O1 ZINC001231082305 1053672229 /nfs/dbraw/zinc/67/22/29/1053672229.db2.gz ULZOWQVHYPAEDP-LPHOPBHVSA-N 1 2 312.413 4.358 20 30 DIEDLO Cc1cccc(C[N@H+](CCC#N)Cc2ccc(Cl)cc2)c1O ZINC001231592152 1053791937 /nfs/dbraw/zinc/79/19/37/1053791937.db2.gz DZAQYUCMAHXSNO-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO Cc1cccc(C[N@@H+](CCC#N)Cc2ccc(Cl)cc2)c1O ZINC001231592152 1053791944 /nfs/dbraw/zinc/79/19/44/1053791944.db2.gz DZAQYUCMAHXSNO-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO Cc1nc(-c2ccccc2)ncc1C[N@H+](CCC#N)C1CCCC1 ZINC001231798035 1053859828 /nfs/dbraw/zinc/85/98/28/1053859828.db2.gz OBHVXURYUXIYAF-UHFFFAOYSA-N 1 2 320.440 4.110 20 30 DIEDLO Cc1nc(-c2ccccc2)ncc1C[N@@H+](CCC#N)C1CCCC1 ZINC001231798035 1053859838 /nfs/dbraw/zinc/85/98/38/1053859838.db2.gz OBHVXURYUXIYAF-UHFFFAOYSA-N 1 2 320.440 4.110 20 30 DIEDLO N#CC1CC[NH+](Cc2c(F)cccc2Oc2ccccc2)CC1 ZINC001231865489 1053895484 /nfs/dbraw/zinc/89/54/84/1053895484.db2.gz OITFROHPYIKTEG-UHFFFAOYSA-N 1 2 310.372 4.354 20 30 DIEDLO C=CC[N@H+](Cc1nc(Cl)ccc1Br)C(C)(C)C ZINC001232059213 1053951387 /nfs/dbraw/zinc/95/13/87/1053951387.db2.gz BFMNTQXRPGQBBC-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO C=CC[N@@H+](Cc1nc(Cl)ccc1Br)C(C)(C)C ZINC001232059213 1053951405 /nfs/dbraw/zinc/95/14/05/1053951405.db2.gz BFMNTQXRPGQBBC-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO N#CC1CC[NH+](Cc2cc(F)ccc2OCc2ccccc2)CC1 ZINC001232116485 1053965672 /nfs/dbraw/zinc/96/56/72/1053965672.db2.gz NKUHSFJMEOMKGT-UHFFFAOYSA-N 1 2 324.399 4.140 20 30 DIEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc2ncsc21 ZINC001232734535 1054110475 /nfs/dbraw/zinc/11/04/75/1054110475.db2.gz UJHSPEQJBJXAHN-UHFFFAOYSA-N 1 2 307.422 4.212 20 30 DIEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc2ncsc21 ZINC001232734535 1054110478 /nfs/dbraw/zinc/11/04/78/1054110478.db2.gz UJHSPEQJBJXAHN-UHFFFAOYSA-N 1 2 307.422 4.212 20 30 DIEDLO N#CCC[N@@H+](Cc1c[nH]c2cc(Cl)ncc12)Cc1ccccc1 ZINC001232817292 1054123892 /nfs/dbraw/zinc/12/38/92/1054123892.db2.gz CMJLDFMWROMNCU-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCC[N@H+](Cc1c[nH]c2cc(Cl)ncc12)Cc1ccccc1 ZINC001232817292 1054123899 /nfs/dbraw/zinc/12/38/99/1054123899.db2.gz CMJLDFMWROMNCU-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO CCc1nc([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cs1 ZINC000184700559 1054126696 /nfs/dbraw/zinc/12/66/96/1054126696.db2.gz PWABUMWJARFBCR-LBPRGKRZSA-N 1 2 304.846 4.061 20 30 DIEDLO C=CC[N@H+](Cc1cc(Cl)cnc1Br)C(C)(C)C ZINC001232964709 1054158302 /nfs/dbraw/zinc/15/83/02/1054158302.db2.gz WTGYFQKBZXHASX-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO C=CC[N@@H+](Cc1cc(Cl)cnc1Br)C(C)(C)C ZINC001232964709 1054158312 /nfs/dbraw/zinc/15/83/12/1054158312.db2.gz WTGYFQKBZXHASX-UHFFFAOYSA-N 1 2 317.658 4.284 20 30 DIEDLO COc1c(O)cccc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001233256760 1054219800 /nfs/dbraw/zinc/21/98/00/1054219800.db2.gz UIFLLWZGYPOAKU-UHFFFAOYSA-N 1 2 316.445 4.229 20 30 DIEDLO COc1c(O)cccc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001233256760 1054219815 /nfs/dbraw/zinc/21/98/15/1054219815.db2.gz UIFLLWZGYPOAKU-UHFFFAOYSA-N 1 2 316.445 4.229 20 30 DIEDLO CN(C)c1cccc(Cl)c1C=[NH+]OCc1ccc(F)cc1 ZINC001337814632 1054287638 /nfs/dbraw/zinc/28/76/38/1054287638.db2.gz HYOMUFWLXVYTFR-UHFFFAOYSA-N 1 2 306.768 4.096 20 30 DIEDLO Cc1ccccc1-c1cnc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000075596262 1054310777 /nfs/dbraw/zinc/31/07/77/1054310777.db2.gz XTGAROLNCIQIKX-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO Cc1ccccc1-c1cnc(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000075596262 1054310786 /nfs/dbraw/zinc/31/07/86/1054310786.db2.gz XTGAROLNCIQIKX-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO C=CC[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccccc1 ZINC000623433926 1054594590 /nfs/dbraw/zinc/59/45/90/1054594590.db2.gz RJKUFZYRAJUSRI-UHFFFAOYSA-N 1 2 303.409 4.061 20 30 DIEDLO C=CC[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccccc1 ZINC000623433926 1054594600 /nfs/dbraw/zinc/59/46/00/1054594600.db2.gz RJKUFZYRAJUSRI-UHFFFAOYSA-N 1 2 303.409 4.061 20 30 DIEDLO CCCCCCC[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001358227489 1054631191 /nfs/dbraw/zinc/63/11/91/1054631191.db2.gz AKLAPCCWIVQPNU-HNNXBMFYSA-N 1 2 315.461 4.369 20 30 DIEDLO C=CCCCC[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC001235067702 1054651807 /nfs/dbraw/zinc/65/18/07/1054651807.db2.gz YNJKUSAIYHFCMT-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO C=CCCCC[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC001235067702 1054651818 /nfs/dbraw/zinc/65/18/18/1054651818.db2.gz YNJKUSAIYHFCMT-UHFFFAOYSA-N 1 2 316.214 4.082 20 30 DIEDLO C=CCC[C@@H]([NH2+]Cc1nc(CCC(C)C)no1)c1ccccc1 ZINC000180040116 1054727600 /nfs/dbraw/zinc/72/76/00/1054727600.db2.gz GQOXRRVFBGBAMD-QGZVFWFLSA-N 1 2 313.445 4.455 20 30 DIEDLO CCC[C@H](C[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000180059164 1054732190 /nfs/dbraw/zinc/73/21/90/1054732190.db2.gz NQWAXYOAHYFTSC-LJQANCHMSA-N 1 2 307.441 4.381 20 30 DIEDLO CCC[C@H](C[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000180059164 1054732204 /nfs/dbraw/zinc/73/22/04/1054732204.db2.gz NQWAXYOAHYFTSC-LJQANCHMSA-N 1 2 307.441 4.381 20 30 DIEDLO COc1ccc([C@H](C)[N@H+](C)Cc2c(F)cc(C#N)cc2F)cc1 ZINC001235658411 1054763001 /nfs/dbraw/zinc/76/30/01/1054763001.db2.gz LTHUBEPHLKXZNE-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccc([C@H](C)[N@@H+](C)Cc2c(F)cc(C#N)cc2F)cc1 ZINC001235658411 1054763008 /nfs/dbraw/zinc/76/30/08/1054763008.db2.gz LTHUBEPHLKXZNE-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO CCc1ccc(C[N@H+](C)Cc2c(F)cc(C#N)cc2F)cc1 ZINC001235665239 1054763392 /nfs/dbraw/zinc/76/33/92/1054763392.db2.gz UCMNWIKWJQQYPV-UHFFFAOYSA-N 1 2 300.352 4.031 20 30 DIEDLO CCc1ccc(C[N@@H+](C)Cc2c(F)cc(C#N)cc2F)cc1 ZINC001235665239 1054763410 /nfs/dbraw/zinc/76/34/10/1054763410.db2.gz UCMNWIKWJQQYPV-UHFFFAOYSA-N 1 2 300.352 4.031 20 30 DIEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)c1 ZINC001236193808 1054992969 /nfs/dbraw/zinc/99/29/69/1054992969.db2.gz ULWDSFWHITYITN-IBGZPJMESA-N 1 2 317.392 4.082 20 30 DIEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)c1 ZINC001236193808 1054992982 /nfs/dbraw/zinc/99/29/82/1054992982.db2.gz ULWDSFWHITYITN-IBGZPJMESA-N 1 2 317.392 4.082 20 30 DIEDLO Cc1cc(Cl)nc(Cl)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001236603569 1055204570 /nfs/dbraw/zinc/20/45/70/1055204570.db2.gz CEBDAEBWOXUCHP-UHFFFAOYSA-N 1 2 320.223 4.201 20 30 DIEDLO Cc1cc(Cl)nc(Cl)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001236603569 1055204577 /nfs/dbraw/zinc/20/45/77/1055204577.db2.gz CEBDAEBWOXUCHP-UHFFFAOYSA-N 1 2 320.223 4.201 20 30 DIEDLO Cc1cc(Cl)nc(Cl)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001236612577 1055204705 /nfs/dbraw/zinc/20/47/05/1055204705.db2.gz SGRRTIABLHCVQQ-UHFFFAOYSA-N 1 2 320.223 4.201 20 30 DIEDLO Cc1cc(Cl)nc(Cl)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001236612577 1055204712 /nfs/dbraw/zinc/20/47/12/1055204712.db2.gz SGRRTIABLHCVQQ-UHFFFAOYSA-N 1 2 320.223 4.201 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1sc(Br)cc1C ZINC001236827068 1055281014 /nfs/dbraw/zinc/28/10/14/1055281014.db2.gz RTPLGNUXYZXFAN-UHFFFAOYSA-N 1 2 315.280 4.335 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1sc(Br)cc1C ZINC001236827068 1055281028 /nfs/dbraw/zinc/28/10/28/1055281028.db2.gz RTPLGNUXYZXFAN-UHFFFAOYSA-N 1 2 315.280 4.335 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1ccc(-c2cccc(C)c2C)nc1 ZINC001236992823 1055328500 /nfs/dbraw/zinc/32/85/00/1055328500.db2.gz JOOKMFQKBZCMPI-UHFFFAOYSA-N 1 2 307.441 4.491 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1ccc(-c2cccc(C)c2C)nc1 ZINC001236992823 1055328516 /nfs/dbraw/zinc/32/85/16/1055328516.db2.gz JOOKMFQKBZCMPI-UHFFFAOYSA-N 1 2 307.441 4.491 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237019884 1055342907 /nfs/dbraw/zinc/34/29/07/1055342907.db2.gz MKYLZHUBXDWHBQ-SFHVURJKSA-N 1 2 311.816 4.138 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237019884 1055342924 /nfs/dbraw/zinc/34/29/24/1055342924.db2.gz MKYLZHUBXDWHBQ-SFHVURJKSA-N 1 2 311.816 4.138 20 30 DIEDLO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)c(F)cc1F ZINC001237527551 1055467609 /nfs/dbraw/zinc/46/76/09/1055467609.db2.gz VRLJEYQLFXWNRR-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)c(F)cc1F ZINC001237527551 1055467612 /nfs/dbraw/zinc/46/76/12/1055467612.db2.gz VRLJEYQLFXWNRR-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=CCOc1cccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC001620848962 1055476696 /nfs/dbraw/zinc/47/66/96/1055476696.db2.gz HAHGLQBLBWGTMK-UHFFFAOYSA-N 1 2 323.371 4.188 20 30 DIEDLO Cc1cc(C#N)cc(C)c1CNc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001620853848 1055482850 /nfs/dbraw/zinc/48/28/50/1055482850.db2.gz DMDIDVRDONTYLS-UHFFFAOYSA-N 1 2 316.408 4.281 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(Cl)c(F)c1 ZINC000765613001 1055514625 /nfs/dbraw/zinc/51/46/25/1055514625.db2.gz MPXBTPLQTOEMOK-FNORWQNLSA-N 1 2 300.720 4.023 20 30 DIEDLO CC1(C#N)CC[NH+](Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC001237975975 1055569238 /nfs/dbraw/zinc/56/92/38/1055569238.db2.gz SIDJCVXHFLJECR-UHFFFAOYSA-N 1 2 315.417 4.075 20 30 DIEDLO C=CCC[N@H+](Cc1ccccc1)Cc1c(F)ccnc1Cl ZINC001238231124 1055627558 /nfs/dbraw/zinc/62/75/58/1055627558.db2.gz IWXMRPVAEQMTGQ-UHFFFAOYSA-N 1 2 304.796 4.452 20 30 DIEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1c(F)ccnc1Cl ZINC001238231124 1055627562 /nfs/dbraw/zinc/62/75/62/1055627562.db2.gz IWXMRPVAEQMTGQ-UHFFFAOYSA-N 1 2 304.796 4.452 20 30 DIEDLO CC(C)Oc1c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc(F)c1F ZINC001238740693 1055737641 /nfs/dbraw/zinc/73/76/41/1055737641.db2.gz BLXRULLAHCMQSO-XMQYKBBCSA-N 1 2 320.383 4.019 20 30 DIEDLO CC(C)Oc1c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc(F)c1F ZINC001238740693 1055737651 /nfs/dbraw/zinc/73/76/51/1055737651.db2.gz BLXRULLAHCMQSO-XMQYKBBCSA-N 1 2 320.383 4.019 20 30 DIEDLO C=C(C)C[N@@H+](CC)Cc1ccc(F)c(F)c1Br ZINC001238771124 1055748091 /nfs/dbraw/zinc/74/80/91/1055748091.db2.gz UGCSZZJVONZZBP-UHFFFAOYSA-N 1 2 304.178 4.125 20 30 DIEDLO C=C(C)C[N@H+](CC)Cc1ccc(F)c(F)c1Br ZINC001238771124 1055748100 /nfs/dbraw/zinc/74/81/00/1055748100.db2.gz UGCSZZJVONZZBP-UHFFFAOYSA-N 1 2 304.178 4.125 20 30 DIEDLO CSc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1F ZINC001238965745 1055807234 /nfs/dbraw/zinc/80/72/34/1055807234.db2.gz IZYOHPRIUQILCR-RGVLZGJSSA-N 1 2 313.401 4.308 20 30 DIEDLO CCN(CC)c1ccc(Nc2ncc(C#N)c3ccsc32)c[nH+]1 ZINC001611806404 1056193849 /nfs/dbraw/zinc/19/38/49/1056193849.db2.gz ZCILGFAJEIONRH-UHFFFAOYSA-N 1 2 323.425 4.153 20 30 DIEDLO N#CCc1ccc(-c2ccn3cc[nH+]c3c2)cc1C(F)(F)F ZINC001240510306 1056545244 /nfs/dbraw/zinc/54/52/44/1056545244.db2.gz HIVNXWMDLOIAOV-UHFFFAOYSA-N 1 2 301.271 4.086 20 30 DIEDLO CCCCCCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC001615988904 1056604223 /nfs/dbraw/zinc/60/42/23/1056604223.db2.gz QJDPRHBAGRWWDA-KRWDZBQOSA-N 1 2 322.518 4.362 20 30 DIEDLO CCCCCCCCCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC001615988904 1056604228 /nfs/dbraw/zinc/60/42/28/1056604228.db2.gz QJDPRHBAGRWWDA-KRWDZBQOSA-N 1 2 322.518 4.362 20 30 DIEDLO N#Cc1ccc(C[N@@H+](Cc2cc(O)ccc2Cl)C2CC2)cc1 ZINC001616570068 1056679646 /nfs/dbraw/zinc/67/96/46/1056679646.db2.gz QGLCIFMQKFNCFF-UHFFFAOYSA-N 1 2 312.800 4.082 20 30 DIEDLO N#Cc1ccc(C[N@H+](Cc2cc(O)ccc2Cl)C2CC2)cc1 ZINC001616570068 1056679652 /nfs/dbraw/zinc/67/96/52/1056679652.db2.gz QGLCIFMQKFNCFF-UHFFFAOYSA-N 1 2 312.800 4.082 20 30 DIEDLO CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cs1 ZINC000162647438 1057137555 /nfs/dbraw/zinc/13/75/55/1057137555.db2.gz NASDZOCLESBSIE-NSHDSACASA-N 1 2 303.406 4.128 20 30 DIEDLO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1cccc(Cl)c1Cl ZINC001168757629 1057371850 /nfs/dbraw/zinc/37/18/50/1057371850.db2.gz IPYCYZDBCXVTFX-JTQLQIEISA-N 1 2 306.196 4.111 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cnc3sccc3c2)cc1C#N ZINC001242680558 1057445306 /nfs/dbraw/zinc/44/53/06/1057445306.db2.gz SSKLKYXEKGBGJU-RGVLZGJSSA-N 1 2 306.394 4.056 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000707985237 1057499927 /nfs/dbraw/zinc/49/99/27/1057499927.db2.gz NJZSKACMEUOXGY-UHFFFAOYSA-N 1 2 321.262 4.485 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1Cc2ccc(Br)cc2C1 ZINC000707985237 1057499928 /nfs/dbraw/zinc/49/99/28/1057499928.db2.gz NJZSKACMEUOXGY-UHFFFAOYSA-N 1 2 321.262 4.485 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000611268610 1057587746 /nfs/dbraw/zinc/58/77/46/1057587746.db2.gz SBTOSTVUZVFPKE-HNNXBMFYSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000611268610 1057587750 /nfs/dbraw/zinc/58/77/50/1057587750.db2.gz SBTOSTVUZVFPKE-HNNXBMFYSA-N 1 2 312.388 4.139 20 30 DIEDLO C[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1cccc(C#N)c1 ZINC000611386157 1057594132 /nfs/dbraw/zinc/59/41/32/1057594132.db2.gz FHGSFFHTPWDKJT-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO N#CCC[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000611407033 1057598495 /nfs/dbraw/zinc/59/84/95/1057598495.db2.gz WPNFIDRFAAYENQ-HNNXBMFYSA-N 1 2 309.344 4.102 20 30 DIEDLO N#CCC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccccc1 ZINC000611454104 1057600985 /nfs/dbraw/zinc/60/09/85/1057600985.db2.gz AELXKDPKAXYQLU-OAHLLOKOSA-N 1 2 311.454 4.157 20 30 DIEDLO C[N@H+](Cc1ccsc1)Cc1ccc(C#N)cc1Br ZINC000611500399 1057603723 /nfs/dbraw/zinc/60/37/23/1057603723.db2.gz OBHJXOGPWYITBM-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1ccsc1)Cc1ccc(C#N)cc1Br ZINC000611500399 1057603726 /nfs/dbraw/zinc/60/37/26/1057603726.db2.gz OBHJXOGPWYITBM-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(OC(F)F)c2)cc1C#N ZINC001243359859 1057658509 /nfs/dbraw/zinc/65/85/09/1057658509.db2.gz QDIFIZMZONAGEM-SRZZPIQSSA-N 1 2 315.323 4.048 20 30 DIEDLO Fc1cccc2c1SCCC2=NNc1cc[nH+]c2ccccc12 ZINC000730147441 1057704286 /nfs/dbraw/zinc/70/42/86/1057704286.db2.gz OAUWNWADGFSDOH-UHFFFAOYSA-N 1 2 323.396 4.108 20 30 DIEDLO CC(=[NH+]Nc1ccc(F)cn1)c1ccc(N2CCCCC2)cc1 ZINC000731320400 1057740473 /nfs/dbraw/zinc/74/04/73/1057740473.db2.gz ZMVPJQPMCQKNEQ-UHFFFAOYSA-N 1 2 312.392 4.047 20 30 DIEDLO C=CCOCc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243662365 1057748065 /nfs/dbraw/zinc/74/80/65/1057748065.db2.gz NMUWGAANJKONGT-UHFFFAOYSA-N 1 2 304.393 4.301 20 30 DIEDLO Cc1nc2cc(-c3ccc(/[NH+]=C/N(C)C)c(C#N)c3)ccc2s1 ZINC001243937694 1057813486 /nfs/dbraw/zinc/81/34/86/1057813486.db2.gz ROPGJERUADKXGB-RGVLZGJSSA-N 1 2 320.421 4.365 20 30 DIEDLO CC(C)COc1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001244195572 1057897733 /nfs/dbraw/zinc/89/77/33/1057897733.db2.gz LJRMWJDGOLQQPD-HYARGMPZSA-N 1 2 321.424 4.481 20 30 DIEDLO N#Cc1ccc2cc(-c3c[nH+]cn3Cc3ccccc3)ccc2n1 ZINC001245198510 1058127096 /nfs/dbraw/zinc/12/70/96/1058127096.db2.gz IVGYTWADNDHQPW-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO Cc1cc(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)c[nH+]c1N ZINC001245540743 1058219584 /nfs/dbraw/zinc/21/95/84/1058219584.db2.gz ZUORDHKIHNILMP-UHFFFAOYSA-N 1 2 324.199 4.214 20 30 DIEDLO CCOc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1CC ZINC001245872327 1058581756 /nfs/dbraw/zinc/58/17/56/1058581756.db2.gz UOPBXZBOVUASGB-HYARGMPZSA-N 1 2 321.424 4.408 20 30 DIEDLO C=CCCC1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCC1 ZINC001557476428 1058753417 /nfs/dbraw/zinc/75/34/17/1058753417.db2.gz XDHPXXDFCHJOIT-QGZVFWFLSA-N 1 2 317.477 4.113 20 30 DIEDLO C=CCCC1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCC1 ZINC001557476427 1058755077 /nfs/dbraw/zinc/75/50/77/1058755077.db2.gz XDHPXXDFCHJOIT-KRWDZBQOSA-N 1 2 317.477 4.113 20 30 DIEDLO C#CC(C)(C)[N@H+](C)Cc1cc(Cl)c(C)cc1Br ZINC001559747223 1059579715 /nfs/dbraw/zinc/57/97/15/1059579715.db2.gz WQMWJKDWQIADRP-UHFFFAOYSA-N 1 2 314.654 4.255 20 30 DIEDLO C#CC(C)(C)[N@@H+](C)Cc1cc(Cl)c(C)cc1Br ZINC001559747223 1059579736 /nfs/dbraw/zinc/57/97/36/1059579736.db2.gz WQMWJKDWQIADRP-UHFFFAOYSA-N 1 2 314.654 4.255 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001248524373 1059864576 /nfs/dbraw/zinc/86/45/76/1059864576.db2.gz ZVJGZGDVZMIAMI-SFHVURJKSA-N 1 2 311.816 4.138 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001248524373 1059864604 /nfs/dbraw/zinc/86/46/04/1059864604.db2.gz ZVJGZGDVZMIAMI-SFHVURJKSA-N 1 2 311.816 4.138 20 30 DIEDLO COc1c(Cl)c(Cl)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001248641809 1059922660 /nfs/dbraw/zinc/92/26/60/1059922660.db2.gz RKYVFWCWGQSVGL-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)c(Cl)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001248641809 1059922680 /nfs/dbraw/zinc/92/26/80/1059922680.db2.gz RKYVFWCWGQSVGL-LLVKDONJSA-N 1 2 313.228 4.128 20 30 DIEDLO COc1ccccc1Oc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001248760635 1059970917 /nfs/dbraw/zinc/97/09/17/1059970917.db2.gz ZULOGQLLDKPHFC-FQEVSTJZSA-N 1 2 322.408 4.223 20 30 DIEDLO COc1ccccc1Oc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001248760635 1059970943 /nfs/dbraw/zinc/97/09/43/1059970943.db2.gz ZULOGQLLDKPHFC-FQEVSTJZSA-N 1 2 322.408 4.223 20 30 DIEDLO C=CC[C@@H]1CC[N@H+]1Cc1ccc(Br)cc1Cl ZINC001560206089 1059985520 /nfs/dbraw/zinc/98/55/20/1059985520.db2.gz PBKYNHXTVNQKEA-GFCCVEGCSA-N 1 2 300.627 4.253 20 30 DIEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(Br)cc1Cl ZINC001560206089 1059985543 /nfs/dbraw/zinc/98/55/43/1059985543.db2.gz PBKYNHXTVNQKEA-GFCCVEGCSA-N 1 2 300.627 4.253 20 30 DIEDLO C#CC1CC[NH+](Cc2cc(Br)sc2Cl)CC1 ZINC001249381495 1060231215 /nfs/dbraw/zinc/23/12/15/1060231215.db2.gz BHQCOGLRDKBFGG-UHFFFAOYSA-N 1 2 318.667 4.009 20 30 DIEDLO N#CC1(c2ccccc2)CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC001249526783 1060275570 /nfs/dbraw/zinc/27/55/70/1060275570.db2.gz ZFXMHDPNNHEYIS-UHFFFAOYSA-N 1 2 323.465 4.078 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccnc(OCc2ccccc2)c1 ZINC001249969087 1060513444 /nfs/dbraw/zinc/51/34/44/1060513444.db2.gz CKYPEAORLGAQRE-UHFFFAOYSA-N 1 2 323.440 4.176 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccnc(OCc2ccccc2)c1 ZINC001249969087 1060513466 /nfs/dbraw/zinc/51/34/66/1060513466.db2.gz CKYPEAORLGAQRE-UHFFFAOYSA-N 1 2 323.440 4.176 20 30 DIEDLO C#Cc1cc(Nc2cc(F)cc(C(F)(F)F)c2Cl)cc[nH+]1 ZINC001250243375 1060725887 /nfs/dbraw/zinc/72/58/87/1060725887.db2.gz NVNMJGFALTYFLV-UHFFFAOYSA-N 1 2 314.669 4.040 20 30 DIEDLO N#Cc1ccc(C[NH+]2CC(Cc3ccccc3Cl)C2)c(F)c1 ZINC001462204610 1061023202 /nfs/dbraw/zinc/02/32/02/1061023202.db2.gz ATORKNAFFKBKSN-UHFFFAOYSA-N 1 2 314.791 4.025 20 30 DIEDLO C[N@H+](CCC1(C#N)CCCCC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC001473296487 1061065333 /nfs/dbraw/zinc/06/53/33/1061065333.db2.gz PJNJGTYTSWTOPI-UHFFFAOYSA-N 1 2 322.456 4.373 20 30 DIEDLO C[N@@H+](CCC1(C#N)CCCCC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC001473296487 1061065348 /nfs/dbraw/zinc/06/53/48/1061065348.db2.gz PJNJGTYTSWTOPI-UHFFFAOYSA-N 1 2 322.456 4.373 20 30 DIEDLO N#Cc1cccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)c1Cl ZINC001250907857 1061118614 /nfs/dbraw/zinc/11/86/14/1061118614.db2.gz DWQRNOQTWIXFHN-UHFFFAOYSA-N 1 2 322.799 4.355 20 30 DIEDLO Cc1ccc(F)c(C[N@H+](C)CC#Cc2ccc(Cl)cc2)c1 ZINC001473429640 1061155150 /nfs/dbraw/zinc/15/51/50/1061155150.db2.gz GZQWWFXHWWZYNQ-UHFFFAOYSA-N 1 2 301.792 4.271 20 30 DIEDLO Cc1ccc(F)c(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)c1 ZINC001473429640 1061155158 /nfs/dbraw/zinc/15/51/58/1061155158.db2.gz GZQWWFXHWWZYNQ-UHFFFAOYSA-N 1 2 301.792 4.271 20 30 DIEDLO N#Cc1ccnc(C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001473474132 1061180350 /nfs/dbraw/zinc/18/03/50/1061180350.db2.gz XXRXRCFZVHFHML-GOSISDBHSA-N 1 2 311.816 4.334 20 30 DIEDLO N#Cc1ccnc(C[N@@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001473474132 1061180355 /nfs/dbraw/zinc/18/03/55/1061180355.db2.gz XXRXRCFZVHFHML-GOSISDBHSA-N 1 2 311.816 4.334 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H](CC)CCc1ccccc1)C(=O)OCC ZINC001462504595 1061213433 /nfs/dbraw/zinc/21/34/33/1061213433.db2.gz IWQFRPTZSJPNCL-IRXDYDNUSA-N 1 2 323.864 4.062 20 30 DIEDLO C=C(Cl)C[C@@H]([NH2+][C@@H]1CCCC(C)(C)CC1)C(=O)OCC ZINC001462500112 1061213507 /nfs/dbraw/zinc/21/35/07/1061213507.db2.gz AOVTXGXEYHVHHJ-ZIAGYGMSSA-N 1 2 301.858 4.009 20 30 DIEDLO C=C(Cl)C[C@@H]([NH2+][C@H]1CCCC(C)(C)CC1)C(=O)OCC ZINC001462500108 1061214751 /nfs/dbraw/zinc/21/47/51/1061214751.db2.gz AOVTXGXEYHVHHJ-UONOGXRCSA-N 1 2 301.858 4.009 20 30 DIEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)C(=O)OCC ZINC001462506847 1061216710 /nfs/dbraw/zinc/21/67/10/1061216710.db2.gz QZYMHTFPDDFNQW-QXSJWSMHSA-N 1 2 313.869 4.009 20 30 DIEDLO C=C(C)C[C@H]([NH2+]CCc1ccc(C(C)(C)C)cc1)C(=O)OCC ZINC001462545868 1061251907 /nfs/dbraw/zinc/25/19/07/1061251907.db2.gz BKEPJKGQIOTRLK-SFHVURJKSA-N 1 2 317.473 4.014 20 30 DIEDLO Cc1cc(C#N)ccc1-c1[nH]c2ccc(N3CCCC3)cc2[nH+]1 ZINC001251262427 1061293740 /nfs/dbraw/zinc/29/37/40/1061293740.db2.gz KDESJAPCRIGNGA-UHFFFAOYSA-N 1 2 302.381 4.010 20 30 DIEDLO Cc1ccc(C[N@@H+](CCCC(C)C)Cc2ccncc2C#N)o1 ZINC001473797623 1061412010 /nfs/dbraw/zinc/41/20/10/1061412010.db2.gz PATGZDSQFRBZHX-UHFFFAOYSA-N 1 2 311.429 4.293 20 30 DIEDLO Cc1ccc(C[N@H+](CCCC(C)C)Cc2ccncc2C#N)o1 ZINC001473797623 1061412016 /nfs/dbraw/zinc/41/20/16/1061412016.db2.gz PATGZDSQFRBZHX-UHFFFAOYSA-N 1 2 311.429 4.293 20 30 DIEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001252130033 1061586178 /nfs/dbraw/zinc/58/61/78/1061586178.db2.gz JDXIJSVWKUSJDP-IAGOWNOFSA-N 1 2 323.481 4.017 20 30 DIEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001252130033 1061586194 /nfs/dbraw/zinc/58/61/94/1061586194.db2.gz JDXIJSVWKUSJDP-IAGOWNOFSA-N 1 2 323.481 4.017 20 30 DIEDLO CCCCCCC[C@H](C)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC001465948617 1061847563 /nfs/dbraw/zinc/84/75/63/1061847563.db2.gz IEWWTAJWEJCRBC-AWEZNQCLSA-N 1 2 305.466 4.238 20 30 DIEDLO C#C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)c1ccc(Cl)cc1F ZINC001474517123 1062200171 /nfs/dbraw/zinc/20/01/71/1062200171.db2.gz MUNSPKKADSPWQZ-QGZVFWFLSA-N 1 2 312.775 4.425 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(-c3ccc(F)cc3)o1)C2 ZINC001474601531 1062316303 /nfs/dbraw/zinc/31/63/03/1062316303.db2.gz QTGQMXGBUVVFFL-UHFFFAOYSA-N 1 2 318.351 4.473 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(-c3ccc(F)cc3)o1)C2 ZINC001474601531 1062316328 /nfs/dbraw/zinc/31/63/28/1062316328.db2.gz QTGQMXGBUVVFFL-UHFFFAOYSA-N 1 2 318.351 4.473 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H](C#N)C3)cc2)cc1 ZINC001474703951 1062428747 /nfs/dbraw/zinc/42/87/47/1062428747.db2.gz HFQXWUVZHLKYAQ-QGZVFWFLSA-N 1 2 322.408 4.223 20 30 DIEDLO COc1ccc(Oc2ccc(C[N@H+]3CCC[C@H](C#N)C3)cc2)cc1 ZINC001474703951 1062428757 /nfs/dbraw/zinc/42/87/57/1062428757.db2.gz HFQXWUVZHLKYAQ-QGZVFWFLSA-N 1 2 322.408 4.223 20 30 DIEDLO CC1(C)C[N@H+](CC#Cc2ccccc2Cl)Cc2ccccc21 ZINC001459877300 1062467202 /nfs/dbraw/zinc/46/72/02/1062467202.db2.gz STVHYMUWYKWYAR-UHFFFAOYSA-N 1 2 309.840 4.485 20 30 DIEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2Cl)Cc2ccccc21 ZINC001459877300 1062467211 /nfs/dbraw/zinc/46/72/11/1062467211.db2.gz STVHYMUWYKWYAR-UHFFFAOYSA-N 1 2 309.840 4.485 20 30 DIEDLO C=CC(C)(C)CC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001460018707 1062575648 /nfs/dbraw/zinc/57/56/48/1062575648.db2.gz WGRIUFBURZGLKT-UHFFFAOYSA-N 1 2 324.424 4.394 20 30 DIEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1OC(F)F ZINC001460073800 1062618283 /nfs/dbraw/zinc/61/82/83/1062618283.db2.gz SYHBAIJZLDJFPL-UHFFFAOYSA-N 1 2 319.326 4.063 20 30 DIEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1OC(F)F ZINC001460073800 1062618300 /nfs/dbraw/zinc/61/83/00/1062618300.db2.gz SYHBAIJZLDJFPL-UHFFFAOYSA-N 1 2 319.326 4.063 20 30 DIEDLO Cc1c(Cl)ccc2c1C[N@H+](Cc1ccc(C#N)s1)CC2 ZINC001460664820 1062973702 /nfs/dbraw/zinc/97/37/02/1062973702.db2.gz FCZSFNINNJQGGE-UHFFFAOYSA-N 1 2 302.830 4.140 20 30 DIEDLO Cc1c(Cl)ccc2c1C[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC001460664820 1062973719 /nfs/dbraw/zinc/97/37/19/1062973719.db2.gz FCZSFNINNJQGGE-UHFFFAOYSA-N 1 2 302.830 4.140 20 30 DIEDLO Cc1c(Cl)ccc2c1C[N@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001460667620 1062973850 /nfs/dbraw/zinc/97/38/50/1062973850.db2.gz SIWOFLVXAZORGG-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO Cc1c(Cl)ccc2c1C[N@@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001460667620 1062973865 /nfs/dbraw/zinc/97/38/65/1062973865.db2.gz SIWOFLVXAZORGG-UHFFFAOYSA-N 1 2 314.791 4.218 20 30 DIEDLO N#CC1CCC([N@H+]2CC[C@@H](c3ccccc3)C(F)(F)C2)CC1 ZINC001256971160 1063065803 /nfs/dbraw/zinc/06/58/03/1063065803.db2.gz KGLMZRPHBPUCAE-PREGVCBESA-N 1 2 304.384 4.194 20 30 DIEDLO N#CC1CCC([N@@H+]2CC[C@@H](c3ccccc3)C(F)(F)C2)CC1 ZINC001256971160 1063065821 /nfs/dbraw/zinc/06/58/21/1063065821.db2.gz KGLMZRPHBPUCAE-PREGVCBESA-N 1 2 304.384 4.194 20 30 DIEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+](C)Cc1cc(C#N)cs1 ZINC001460846480 1063098024 /nfs/dbraw/zinc/09/80/24/1063098024.db2.gz FCZRBHDVLNVNAN-ZDUSSCGKSA-N 1 2 323.421 4.468 20 30 DIEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC001460846480 1063098045 /nfs/dbraw/zinc/09/80/45/1063098045.db2.gz FCZRBHDVLNVNAN-ZDUSSCGKSA-N 1 2 323.421 4.468 20 30 DIEDLO COc1ccc2cc(CC[C@H](C)[N@@H+]3CCC[C@H]3C#N)ccc2c1 ZINC001257277957 1063177538 /nfs/dbraw/zinc/17/75/38/1063177538.db2.gz OROBHAAWYZTLGF-KXBFYZLASA-N 1 2 308.425 4.157 20 30 DIEDLO COc1ccc2cc(CC[C@H](C)[N@H+]3CCC[C@H]3C#N)ccc2c1 ZINC001257277957 1063177551 /nfs/dbraw/zinc/17/75/51/1063177551.db2.gz OROBHAAWYZTLGF-KXBFYZLASA-N 1 2 308.425 4.157 20 30 DIEDLO C=CCN(CC1CCCCC1)c1nc2ccccc2n2c[nH+]cc12 ZINC001472738675 1063197280 /nfs/dbraw/zinc/19/72/80/1063197280.db2.gz WNVMVOIKIFSMIA-UHFFFAOYSA-N 1 2 320.440 4.455 20 30 DIEDLO CCNc1ccc(Nc2cc(C(F)(F)F)c(F)cc2C#N)c[nH+]1 ZINC001472905319 1063308187 /nfs/dbraw/zinc/30/81/87/1063308187.db2.gz QVLQPMZYYJMVPS-UHFFFAOYSA-N 1 2 324.281 4.287 20 30 DIEDLO C=CCCC1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1 ZINC001461533885 1063564579 /nfs/dbraw/zinc/56/45/79/1063564579.db2.gz VRFIAJXVPBWDCZ-UHFFFAOYSA-N 1 2 300.446 4.263 20 30 DIEDLO C#Cc1ccc(CNc2[nH+]c3ccccc3n2C(C)(C)C)cc1 ZINC001461724087 1063680141 /nfs/dbraw/zinc/68/01/41/1063680141.db2.gz XIMPDCYLZRRBTB-UHFFFAOYSA-N 1 2 303.409 4.385 20 30 DIEDLO N#CC1([NH2+]C2CCN(c3ccccc3Cl)CC2)CCCCC1 ZINC001258537351 1063689522 /nfs/dbraw/zinc/68/95/22/1063689522.db2.gz KSABYTZZPBEQDF-UHFFFAOYSA-N 1 2 317.864 4.125 20 30 DIEDLO CCC1CCC(C2CCC([NH2+]C3(C#N)CCOCC3)CC2)CC1 ZINC001258635833 1063718369 /nfs/dbraw/zinc/71/83/69/1063718369.db2.gz ZNKCHAICDGGDMV-UHFFFAOYSA-N 1 2 318.505 4.424 20 30 DIEDLO CC(C)Oc1ccc[nH+]c1NCc1ccc(C2(C#N)CC2)cc1 ZINC001261671597 1063942875 /nfs/dbraw/zinc/94/28/75/1063942875.db2.gz URHKMFDSCNPMBQ-UHFFFAOYSA-N 1 2 307.397 4.036 20 30 DIEDLO N#Cc1ccc(Sc2nc3ccccc3n3c[nH+]cc23)c(F)c1 ZINC001306971928 1065228243 /nfs/dbraw/zinc/22/82/43/1065228243.db2.gz RCWAOWWIWHWLQU-UHFFFAOYSA-N 1 2 320.352 4.044 20 30 DIEDLO COc1ccccc1Cc1cn(CCCCC(C)(C)C#N)c[nH+]1 ZINC001307408169 1065373101 /nfs/dbraw/zinc/37/31/01/1065373101.db2.gz VWMJKDZNPUTGNS-UHFFFAOYSA-N 1 2 311.429 4.203 20 30 DIEDLO C=CC[N@@H+](CC(=O)OCC)Cc1c(C)ccc2cc(C)ccc21 ZINC001307438034 1065399296 /nfs/dbraw/zinc/39/92/96/1065399296.db2.gz GBNRRFAUEZHMQE-UHFFFAOYSA-N 1 2 311.425 4.008 20 30 DIEDLO C=CC[N@H+](CC(=O)OCC)Cc1c(C)ccc2cc(C)ccc21 ZINC001307438034 1065399304 /nfs/dbraw/zinc/39/93/04/1065399304.db2.gz GBNRRFAUEZHMQE-UHFFFAOYSA-N 1 2 311.425 4.008 20 30 DIEDLO C=CCCCC[N@H+]1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001308088862 1065757159 /nfs/dbraw/zinc/75/71/59/1065757159.db2.gz VZDQZURHONFLHS-CQSZACIVSA-N 1 2 324.266 4.122 20 30 DIEDLO C=CCCCC[N@@H+]1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001308088862 1065757174 /nfs/dbraw/zinc/75/71/74/1065757174.db2.gz VZDQZURHONFLHS-CQSZACIVSA-N 1 2 324.266 4.122 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(F)c(F)c1F ZINC001308578412 1066094436 /nfs/dbraw/zinc/09/44/36/1066094436.db2.gz PWUREGKBIOQJNX-UHFFFAOYSA-N 1 2 321.342 4.301 20 30 DIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(F)c(F)c1F ZINC001308578412 1066094445 /nfs/dbraw/zinc/09/44/45/1066094445.db2.gz PWUREGKBIOQJNX-UHFFFAOYSA-N 1 2 321.342 4.301 20 30 DIEDLO C=CC[N@@H+](Cc1cc(COC)cs1)Cc1ccccc1F ZINC001308615989 1066120734 /nfs/dbraw/zinc/12/07/34/1066120734.db2.gz NSSQPNRALMJYTH-UHFFFAOYSA-N 1 2 305.418 4.222 20 30 DIEDLO C=CC[N@H+](Cc1cc(COC)cs1)Cc1ccccc1F ZINC001308615989 1066120739 /nfs/dbraw/zinc/12/07/39/1066120739.db2.gz NSSQPNRALMJYTH-UHFFFAOYSA-N 1 2 305.418 4.222 20 30 DIEDLO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001308815074 1066290814 /nfs/dbraw/zinc/29/08/14/1066290814.db2.gz QVYFCLYDUGCTPP-OAHLLOKOSA-N 1 2 319.807 4.462 20 30 DIEDLO C=CCC(CC=C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000283724262 335005718 /nfs/dbraw/zinc/00/57/18/335005718.db2.gz NNRUIYNORNLRLH-UHFFFAOYSA-N 1 2 323.440 4.064 20 30 DIEDLO CC[C@@H]([NH2+]CC#Cc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000192178917 335027065 /nfs/dbraw/zinc/02/70/65/335027065.db2.gz WYNWHCSSXUIOLS-CYBMUJFWSA-N 1 2 324.371 4.254 20 30 DIEDLO Cc1ccc(C2CCN(c3cc(Cl)ccc3C#N)CC2)c[nH+]1 ZINC000340767923 132183173 /nfs/dbraw/zinc/18/31/73/132183173.db2.gz AFYNVUIYNYQQKZ-UHFFFAOYSA-N 1 2 311.816 4.299 20 30 DIEDLO CCCCc1[nH]c2ccc(NC(=O)c3cccc(C#N)c3)cc2[nH+]1 ZINC000409718151 332049741 /nfs/dbraw/zinc/04/97/41/332049741.db2.gz FFTMQEYOMXOZGJ-UHFFFAOYSA-N 1 2 318.380 4.029 20 30 DIEDLO Cc1ccc([NH2+]CC(C)(C)CCC#N)c(OC[C@H]2CCCO2)c1 ZINC000092127456 332119805 /nfs/dbraw/zinc/11/98/05/332119805.db2.gz RDYMJQOEZWRTQF-MRXNPFEDSA-N 1 2 316.445 4.295 20 30 DIEDLO C=C1CC[NH+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000518679057 332125671 /nfs/dbraw/zinc/12/56/71/332125671.db2.gz KOPYZXZLNCWDGX-HXUWFJFHSA-N 1 2 320.436 4.327 20 30 DIEDLO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000092972956 332132796 /nfs/dbraw/zinc/13/27/96/332132796.db2.gz DFWHWEHXYSWYSE-MRXNPFEDSA-N 1 2 324.827 4.182 20 30 DIEDLO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000092972956 332132797 /nfs/dbraw/zinc/13/27/97/332132797.db2.gz DFWHWEHXYSWYSE-MRXNPFEDSA-N 1 2 324.827 4.182 20 30 DIEDLO CC[N@H+](Cc1nc(C2CCCC2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000133505861 332140414 /nfs/dbraw/zinc/14/04/14/332140414.db2.gz PZALVSAGJSNTLE-AWEZNQCLSA-N 1 2 324.428 4.182 20 30 DIEDLO CC[N@@H+](Cc1nc(C2CCCC2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000133505861 332140415 /nfs/dbraw/zinc/14/04/15/332140415.db2.gz PZALVSAGJSNTLE-AWEZNQCLSA-N 1 2 324.428 4.182 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1nc2cc(F)ccc2o1 ZINC000151689854 332224876 /nfs/dbraw/zinc/22/48/76/332224876.db2.gz YXLOQQRCYMORFL-UHFFFAOYSA-N 1 2 303.381 4.119 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1nc2cc(F)ccc2o1 ZINC000151689854 332224877 /nfs/dbraw/zinc/22/48/77/332224877.db2.gz YXLOQQRCYMORFL-UHFFFAOYSA-N 1 2 303.381 4.119 20 30 DIEDLO C[N@H+](Cc1ccc(-c2cccc(F)c2F)o1)CC(C)(C)C#N ZINC000560569841 332361850 /nfs/dbraw/zinc/36/18/50/332361850.db2.gz UQPCBJKPZXRYSR-UHFFFAOYSA-N 1 2 304.340 4.206 20 30 DIEDLO C[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)CC(C)(C)C#N ZINC000560569841 332361851 /nfs/dbraw/zinc/36/18/51/332361851.db2.gz UQPCBJKPZXRYSR-UHFFFAOYSA-N 1 2 304.340 4.206 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)c(F)c1 ZINC000187783294 332485130 /nfs/dbraw/zinc/48/51/30/332485130.db2.gz OYLPBESCYASADL-HNNXBMFYSA-N 1 2 319.380 4.081 20 30 DIEDLO C=CCC1(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)CCC1 ZINC000293767035 335113076 /nfs/dbraw/zinc/11/30/76/335113076.db2.gz ZNWKSAIRVIXEBB-UHFFFAOYSA-N 1 2 323.440 4.042 20 30 DIEDLO CCCCCCC[S@](=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000133645955 332591140 /nfs/dbraw/zinc/59/11/40/332591140.db2.gz VRTJSGNQGJGLKU-JOCHJYFZSA-N 1 2 318.486 4.151 20 30 DIEDLO CCCCCCCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363571482 332648004 /nfs/dbraw/zinc/64/80/04/332648004.db2.gz OEMSNQOZBHRVCQ-INIZCTEOSA-N 1 2 305.466 4.256 20 30 DIEDLO C=CCN(Cc1ccc(Cl)s1)Cc1[nH+]ccn1C(C)C ZINC000107297736 333167123 /nfs/dbraw/zinc/16/71/23/333167123.db2.gz FZJRWDCZKYBRAH-UHFFFAOYSA-N 1 2 309.866 4.367 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185588809 333210053 /nfs/dbraw/zinc/21/00/53/333210053.db2.gz MFXXEXQXAVFLCU-INIZCTEOSA-N 1 2 306.837 4.043 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185588809 333210054 /nfs/dbraw/zinc/21/00/54/333210054.db2.gz MFXXEXQXAVFLCU-INIZCTEOSA-N 1 2 306.837 4.043 20 30 DIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187877324 333238926 /nfs/dbraw/zinc/23/89/26/333238926.db2.gz GTPLFAKUBOOYJL-MRXNPFEDSA-N 1 2 324.827 4.182 20 30 DIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187877324 333238927 /nfs/dbraw/zinc/23/89/27/333238927.db2.gz GTPLFAKUBOOYJL-MRXNPFEDSA-N 1 2 324.827 4.182 20 30 DIEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)[C@H]1c1cccs1 ZINC000583458591 333358114 /nfs/dbraw/zinc/35/81/14/333358114.db2.gz NCDOKYYOXFAWSE-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)[C@H]1c1cccs1 ZINC000583458591 333358115 /nfs/dbraw/zinc/35/81/15/333358115.db2.gz NCDOKYYOXFAWSE-INIZCTEOSA-N 1 2 300.402 4.342 20 30 DIEDLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(C#N)cc1 ZINC000319759365 333402830 /nfs/dbraw/zinc/40/28/30/333402830.db2.gz DITMUQLYTXRQGN-HNNXBMFYSA-N 1 2 306.413 4.117 20 30 DIEDLO C=CCOc1cccc(CNc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000338138903 333472127 /nfs/dbraw/zinc/47/21/27/333472127.db2.gz HFQVSEQFKVFLFX-UHFFFAOYSA-N 1 2 305.381 4.049 20 30 DIEDLO COc1cc(C)[nH+]c(CNc2ccccc2SCCC#N)c1 ZINC000271219059 334020415 /nfs/dbraw/zinc/02/04/15/334020415.db2.gz OFRQQOAXLXZDID-UHFFFAOYSA-N 1 2 313.426 4.017 20 30 DIEDLO Cc1cc(NC(=O)CC(C)(C)C#N)ccc1Oc1cc[nH+]cc1 ZINC000278529545 334097551 /nfs/dbraw/zinc/09/75/51/334097551.db2.gz RNZWSOYDKRDZPA-UHFFFAOYSA-N 1 2 309.369 4.061 20 30 DIEDLO C=CCc1cc(CNc2ccc3c(c2)CCC[NH2+]3)cc(OC)c1O ZINC000414845280 334115393 /nfs/dbraw/zinc/11/53/93/334115393.db2.gz FXWVUNRLDPCYDK-UHFFFAOYSA-N 1 2 324.424 4.100 20 30 DIEDLO COCc1cc(N[C@H]2CC[C@@H](CC#N)C2)c2cc(F)ccc2[nH+]1 ZINC000294981803 334215282 /nfs/dbraw/zinc/21/52/82/334215282.db2.gz MCKKAMYWRMIDBS-JSGCOSHPSA-N 1 2 313.376 4.015 20 30 DIEDLO Cc1[nH+]c(C(C)C)ccc1COC(=O)[C@]1(C#N)CC12CCCC2 ZINC000297316776 334240586 /nfs/dbraw/zinc/24/05/86/334240586.db2.gz RZVWKOLKAOOBEB-LJQANCHMSA-N 1 2 312.413 4.031 20 30 DIEDLO Cc1ccc(C2CCN(c3ccc(C#N)c(Cl)c3)CC2)c[nH+]1 ZINC000340781202 334385244 /nfs/dbraw/zinc/38/52/44/334385244.db2.gz PDFIPBGJHKBRGJ-UHFFFAOYSA-N 1 2 311.816 4.299 20 30 DIEDLO N#Cc1cccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)c1F ZINC000340868635 334391839 /nfs/dbraw/zinc/39/18/39/334391839.db2.gz JTUWYYIIEVITOR-QGZVFWFLSA-N 1 2 323.396 4.033 20 30 DIEDLO CC(C)[C@@H](NC(=O)c1coc(C2CCCCC2)n1)c1[nH]cc[nH+]1 ZINC000328746080 334751250 /nfs/dbraw/zinc/75/12/50/334751250.db2.gz LCOILLXCMPXYAN-CQSZACIVSA-N 1 2 316.405 4.147 20 30 DIEDLO Cc1cc(C)c(NC(=O)c2csc(C(C)(C)C)n2)c(C)[nH+]1 ZINC000330438058 334784831 /nfs/dbraw/zinc/78/48/31/334784831.db2.gz NOISTKKEJCJFGQ-UHFFFAOYSA-N 1 2 303.431 4.397 20 30 DIEDLO C=CCC(CC=C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000343952979 335207384 /nfs/dbraw/zinc/20/73/84/335207384.db2.gz YFXLBJIDDBGLEG-UHFFFAOYSA-N 1 2 315.804 4.233 20 30 DIEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000344055124 335213748 /nfs/dbraw/zinc/21/37/48/335213748.db2.gz URUMMICUIODNJR-MRXNPFEDSA-N 1 2 303.793 4.067 20 30 DIEDLO N#Cc1ccc(SCc2c[nH+]cn2Cc2ccccc2)c(F)c1 ZINC000445607282 338502421 /nfs/dbraw/zinc/50/24/21/338502421.db2.gz FVEUBZWBNRZMBH-UHFFFAOYSA-N 1 2 323.396 4.234 20 30 DIEDLO CC[N@H+](CCC#N)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000351188008 336020353 /nfs/dbraw/zinc/02/03/53/336020353.db2.gz XIWSQNYOWADRMO-UHFFFAOYSA-N 1 2 317.436 4.122 20 30 DIEDLO CC[N@@H+](CCC#N)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000351188008 336020354 /nfs/dbraw/zinc/02/03/54/336020354.db2.gz XIWSQNYOWADRMO-UHFFFAOYSA-N 1 2 317.436 4.122 20 30 DIEDLO CC(C)[N@H+](CCC#N)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000526114713 336183707 /nfs/dbraw/zinc/18/37/07/336183707.db2.gz OMBWRKBFIJDNDK-UHFFFAOYSA-N 1 2 304.743 4.483 20 30 DIEDLO CC(C)[N@@H+](CCC#N)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000526114713 336183708 /nfs/dbraw/zinc/18/37/08/336183708.db2.gz OMBWRKBFIJDNDK-UHFFFAOYSA-N 1 2 304.743 4.483 20 30 DIEDLO CC(C)C[N@H+](Cc1ncc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000351989751 336186580 /nfs/dbraw/zinc/18/65/80/336186580.db2.gz VXCHAWOPMRGNFO-UHFFFAOYSA-N 1 2 319.861 4.326 20 30 DIEDLO CC(C)C[N@@H+](Cc1ncc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000351989751 336186582 /nfs/dbraw/zinc/18/65/82/336186582.db2.gz VXCHAWOPMRGNFO-UHFFFAOYSA-N 1 2 319.861 4.326 20 30 DIEDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000532605041 336257346 /nfs/dbraw/zinc/25/73/46/336257346.db2.gz FBZJBTMZCXHAMM-ZDUSSCGKSA-N 1 2 303.327 4.148 20 30 DIEDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000532605041 336257347 /nfs/dbraw/zinc/25/73/47/336257347.db2.gz FBZJBTMZCXHAMM-ZDUSSCGKSA-N 1 2 303.327 4.148 20 30 DIEDLO C=CCCSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000532630634 336262479 /nfs/dbraw/zinc/26/24/79/336262479.db2.gz SUAPEOATBMNQHY-UHFFFAOYSA-N 1 2 316.817 4.137 20 30 DIEDLO C=C(C)COc1cccc(NCc2c(C)[nH+]c3ccccn32)c1 ZINC000532725388 336268572 /nfs/dbraw/zinc/26/85/72/336268572.db2.gz MRNLHKMYHJQOGW-UHFFFAOYSA-N 1 2 307.397 4.210 20 30 DIEDLO CCN(CC)c1ccc(CNc2c(Cl)cccc2C#N)c[nH+]1 ZINC000301366045 336302642 /nfs/dbraw/zinc/30/26/42/336302642.db2.gz NORVBDCJVAZQDE-UHFFFAOYSA-N 1 2 314.820 4.065 20 30 DIEDLO Fc1cc(F)c(F)c(CNc2cc(C(F)(F)F)cc[nH+]2)c1F ZINC000301575573 336316067 /nfs/dbraw/zinc/31/60/67/336316067.db2.gz NLUJCYOBVLHGIZ-UHFFFAOYSA-N 1 2 324.199 4.269 20 30 DIEDLO N#Cc1ccc(Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)nc1 ZINC000301778310 336329113 /nfs/dbraw/zinc/32/91/13/336329113.db2.gz RPBZEOHMEJACSK-UHFFFAOYSA-N 1 2 311.348 4.036 20 30 DIEDLO N#Cc1cc(Cl)ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302660075 336363727 /nfs/dbraw/zinc/36/37/27/336363727.db2.gz LMZRHPHZAOOWRO-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO N#Cc1ccc(Cl)cc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302669649 336364167 /nfs/dbraw/zinc/36/41/67/336364167.db2.gz NOFBIQCJLJJXGY-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO Cc1csc(C2([NH2+][C@@H](C)c3ccc(C#N)cc3F)CCC2)n1 ZINC000358439353 336630055 /nfs/dbraw/zinc/63/00/55/336630055.db2.gz HNDKPCGPZFSTNB-LBPRGKRZSA-N 1 2 315.417 4.192 20 30 DIEDLO N#C[C@H]1CCC[C@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)C1 ZINC000377084997 337046491 /nfs/dbraw/zinc/04/64/91/337046491.db2.gz VJGOCYCTBZAYBJ-RDJZCZTQSA-N 1 2 320.440 4.381 20 30 DIEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ncc(-c2ccccc2)o1 ZINC000174265663 337140077 /nfs/dbraw/zinc/14/00/77/337140077.db2.gz LXAMZTDYVIVCCW-ZDUSSCGKSA-N 1 2 321.355 4.203 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)s1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000583032898 337231575 /nfs/dbraw/zinc/23/15/75/337231575.db2.gz XTFDLIXPGTWKGF-LJQANCHMSA-N 1 2 324.449 4.090 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000583032898 337231576 /nfs/dbraw/zinc/23/15/76/337231576.db2.gz XTFDLIXPGTWKGF-LJQANCHMSA-N 1 2 324.449 4.090 20 30 DIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000584556840 337360880 /nfs/dbraw/zinc/36/08/80/337360880.db2.gz XPFKYJHAOIGMED-KSSFIOAISA-N 1 2 315.413 4.067 20 30 DIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000584556840 337360881 /nfs/dbraw/zinc/36/08/81/337360881.db2.gz XPFKYJHAOIGMED-KSSFIOAISA-N 1 2 315.413 4.067 20 30 DIEDLO C=C1CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000266022966 337633870 /nfs/dbraw/zinc/63/38/70/337633870.db2.gz XCPJOTRXOGDLKU-ZDUSSCGKSA-N 1 2 317.820 4.027 20 30 DIEDLO C=CCC[C@H](C)[NH2+][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000273476745 337653119 /nfs/dbraw/zinc/65/31/19/337653119.db2.gz KYTPIXHGIIWZMA-NHYWBVRUSA-N 1 2 305.809 4.065 20 30 DIEDLO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cc(F)ccc1F ZINC000428331241 338047669 /nfs/dbraw/zinc/04/76/69/338047669.db2.gz OXUKHRDOOLIABE-QGZVFWFLSA-N 1 2 304.315 4.216 20 30 DIEDLO Cc1cccc(NC2CC[NH+](Cc3cccc(F)c3C#N)CC2)c1 ZINC000428391755 338049983 /nfs/dbraw/zinc/04/99/83/338049983.db2.gz RPJXPDCKPSJERY-UHFFFAOYSA-N 1 2 323.415 4.082 20 30 DIEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1 ZINC000428838214 338061651 /nfs/dbraw/zinc/06/16/51/338061651.db2.gz GSUPKNODYXOFGQ-UHFFFAOYSA-N 1 2 306.409 4.167 20 30 DIEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1 ZINC000428838214 338061652 /nfs/dbraw/zinc/06/16/52/338061652.db2.gz GSUPKNODYXOFGQ-UHFFFAOYSA-N 1 2 306.409 4.167 20 30 DIEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cc2cccc(F)c2o1 ZINC000428941816 338065832 /nfs/dbraw/zinc/06/58/32/338065832.db2.gz KSMJZVRFCDNMFU-NSHDSACASA-N 1 2 312.319 4.433 20 30 DIEDLO CCC[N@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C#N)cc1 ZINC000429706688 338087794 /nfs/dbraw/zinc/08/77/94/338087794.db2.gz GZRUXGAAYLOYKO-UHFFFAOYSA-N 1 2 311.429 4.256 20 30 DIEDLO CCC[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C#N)cc1 ZINC000429706688 338087795 /nfs/dbraw/zinc/08/77/95/338087795.db2.gz GZRUXGAAYLOYKO-UHFFFAOYSA-N 1 2 311.429 4.256 20 30 DIEDLO C=CCC(C)(C)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000431389416 338129718 /nfs/dbraw/zinc/12/97/18/338129718.db2.gz OWUXWKPKFGBBJC-UHFFFAOYSA-N 1 2 323.440 4.427 20 30 DIEDLO C=CCC(C)(C)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000431751665 338137972 /nfs/dbraw/zinc/13/79/72/338137972.db2.gz KCJOPBLZESTLGH-UHFFFAOYSA-N 1 2 311.429 4.304 20 30 DIEDLO C=CCN(Cc1ccccc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436485965 338273870 /nfs/dbraw/zinc/27/38/70/338273870.db2.gz BCAQPNKYCWKFEN-UHFFFAOYSA-N 1 2 309.413 4.227 20 30 DIEDLO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1Cl)c1nc(C)cs1 ZINC000439444736 338369600 /nfs/dbraw/zinc/36/96/00/338369600.db2.gz BZIKLWQUYLAUCW-MRXNPFEDSA-N 1 2 319.861 4.392 20 30 DIEDLO N#CC1(C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000450414928 338396105 /nfs/dbraw/zinc/39/61/05/338396105.db2.gz ZKLWMKDRXCYQNG-OAHLLOKOSA-N 1 2 306.862 4.124 20 30 DIEDLO N#CC1(C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000450414928 338396106 /nfs/dbraw/zinc/39/61/06/338396106.db2.gz ZKLWMKDRXCYQNG-OAHLLOKOSA-N 1 2 306.862 4.124 20 30 DIEDLO CC[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc(C#N)cc1 ZINC000447594465 338560786 /nfs/dbraw/zinc/56/07/86/338560786.db2.gz YZGVWELAKIFTSO-GOSISDBHSA-N 1 2 306.413 4.117 20 30 DIEDLO N#CC1(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CCC1 ZINC000450677580 338698216 /nfs/dbraw/zinc/69/82/16/338698216.db2.gz RLHAIEVLHIJTOH-ZDUSSCGKSA-N 1 2 300.299 4.103 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1nc2c(s1)CCC2 ZINC000459636044 339039623 /nfs/dbraw/zinc/03/96/23/339039623.db2.gz VVFWCKZDMWQJNQ-JTQLQIEISA-N 1 2 317.845 4.008 20 30 DIEDLO CC#CCCCC(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000466242339 339197579 /nfs/dbraw/zinc/19/75/79/339197579.db2.gz FOJGWFHFDOIUEY-UHFFFAOYSA-N 1 2 311.429 4.003 20 30 DIEDLO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1c(F)cccc1Cl ZINC000468270248 339258314 /nfs/dbraw/zinc/25/83/14/339258314.db2.gz LOOBIGUQUXSZNY-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1c(F)cccc1Cl ZINC000468270248 339258315 /nfs/dbraw/zinc/25/83/15/339258315.db2.gz LOOBIGUQUXSZNY-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C=C(C)C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000470910758 339331081 /nfs/dbraw/zinc/33/10/81/339331081.db2.gz LFGPIHAWBAPWGG-UHFFFAOYSA-N 1 2 319.408 4.315 20 30 DIEDLO C=C(C)C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000470910758 339331082 /nfs/dbraw/zinc/33/10/82/339331082.db2.gz LFGPIHAWBAPWGG-UHFFFAOYSA-N 1 2 319.408 4.315 20 30 DIEDLO C=CCCCCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000471714335 339352050 /nfs/dbraw/zinc/35/20/50/339352050.db2.gz PKEYFSGZSYANSK-UHFFFAOYSA-N 1 2 310.397 4.268 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000472235481 339366877 /nfs/dbraw/zinc/36/68/77/339366877.db2.gz AKZFLQXBAWOQEC-WMZOPIPTSA-N 1 2 311.816 4.007 20 30 DIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000472235481 339366878 /nfs/dbraw/zinc/36/68/78/339366878.db2.gz AKZFLQXBAWOQEC-WMZOPIPTSA-N 1 2 311.816 4.007 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1c(F)cccc1F ZINC000480882825 339589427 /nfs/dbraw/zinc/58/94/27/339589427.db2.gz TWNJDBXPZGGOBN-SNVBAGLBSA-N 1 2 306.743 4.341 20 30 DIEDLO C=CCC[C@@H](C(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccccc1 ZINC000488720916 339791293 /nfs/dbraw/zinc/79/12/93/339791293.db2.gz LITUIRKMDFOOTF-GOSISDBHSA-N 1 2 319.408 4.331 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccc(F)cc1 ZINC000491620147 339868807 /nfs/dbraw/zinc/86/88/07/339868807.db2.gz FXQUBLBHDWMQAN-HNNXBMFYSA-N 1 2 312.369 4.006 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1C ZINC000499052607 340028637 /nfs/dbraw/zinc/02/86/37/340028637.db2.gz JIZCFGQVXFZWKN-OAHLLOKOSA-N 1 2 314.454 4.072 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1C ZINC000499052607 340028638 /nfs/dbraw/zinc/02/86/38/340028638.db2.gz JIZCFGQVXFZWKN-OAHLLOKOSA-N 1 2 314.454 4.072 20 30 DIEDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3cc(C#N)cs3)C2)c1 ZINC000503028055 340118977 /nfs/dbraw/zinc/11/89/77/340118977.db2.gz AKUCYJBVZYPPMP-QGZVFWFLSA-N 1 2 318.392 4.138 20 30 DIEDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3cc(C#N)cs3)C2)c1 ZINC000503028055 340118978 /nfs/dbraw/zinc/11/89/78/340118978.db2.gz AKUCYJBVZYPPMP-QGZVFWFLSA-N 1 2 318.392 4.138 20 30 DIEDLO C[N@@H+](Cc1ccccc1C#N)Cc1ccccc1OC(F)(F)F ZINC000506338228 340192635 /nfs/dbraw/zinc/19/26/35/340192635.db2.gz DUCXBUFQMMVZOX-UHFFFAOYSA-N 1 2 320.314 4.089 20 30 DIEDLO C[N@H+](Cc1ccccc1C#N)Cc1ccccc1OC(F)(F)F ZINC000506338228 340192636 /nfs/dbraw/zinc/19/26/36/340192636.db2.gz DUCXBUFQMMVZOX-UHFFFAOYSA-N 1 2 320.314 4.089 20 30 DIEDLO CC[N@H+](CCC#N)Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000506442355 340194760 /nfs/dbraw/zinc/19/47/60/340194760.db2.gz DEEPJTTZYHNSMA-UHFFFAOYSA-N 1 2 324.472 4.214 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000506442355 340194761 /nfs/dbraw/zinc/19/47/61/340194761.db2.gz DEEPJTTZYHNSMA-UHFFFAOYSA-N 1 2 324.472 4.214 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000506467516 340195303 /nfs/dbraw/zinc/19/53/03/340195303.db2.gz SBMDSANJLAGNLT-UHFFFAOYSA-N 1 2 316.351 4.493 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000506467516 340195304 /nfs/dbraw/zinc/19/53/04/340195304.db2.gz SBMDSANJLAGNLT-UHFFFAOYSA-N 1 2 316.351 4.493 20 30 DIEDLO CC(C)C[NH+](Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000507329451 340217339 /nfs/dbraw/zinc/21/73/39/340217339.db2.gz XBGDWZKRCWXPRK-UHFFFAOYSA-N 1 2 303.409 4.088 20 30 DIEDLO CC[N@H+](Cc1c(F)ccc(O)c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000507333395 340217383 /nfs/dbraw/zinc/21/73/83/340217383.db2.gz LWZOKVKDHOCHJX-LBPRGKRZSA-N 1 2 316.351 4.125 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 ZINC000509549667 340273076 /nfs/dbraw/zinc/27/30/76/340273076.db2.gz PJYXYDVDQXNCMS-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 ZINC000509549667 340273077 /nfs/dbraw/zinc/27/30/77/340273077.db2.gz PJYXYDVDQXNCMS-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO CC[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)C[C@@H](C)C#N ZINC000509766536 340278606 /nfs/dbraw/zinc/27/86/06/340278606.db2.gz LEKQLUGUISPQBM-LBPRGKRZSA-N 1 2 304.340 4.206 20 30 DIEDLO CC[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)C[C@@H](C)C#N ZINC000509766536 340278607 /nfs/dbraw/zinc/27/86/07/340278607.db2.gz LEKQLUGUISPQBM-LBPRGKRZSA-N 1 2 304.340 4.206 20 30 DIEDLO CC[N@@H+](Cc1ccc(-c2ccc(F)cc2C)o1)C[C@H](C)C#N ZINC000509800637 340279485 /nfs/dbraw/zinc/27/94/85/340279485.db2.gz ZHDLFLVMTBLLFR-CYBMUJFWSA-N 1 2 300.377 4.376 20 30 DIEDLO CC[N@H+](Cc1ccc(-c2ccc(F)cc2C)o1)C[C@H](C)C#N ZINC000509800637 340279486 /nfs/dbraw/zinc/27/94/86/340279486.db2.gz ZHDLFLVMTBLLFR-CYBMUJFWSA-N 1 2 300.377 4.376 20 30 DIEDLO N#Cc1cccc(C[N@H+](Cc2ccco2)Cc2ccccc2)c1F ZINC000512462098 340362684 /nfs/dbraw/zinc/36/26/84/340362684.db2.gz IHPWJBMDKNMTBH-UHFFFAOYSA-N 1 2 320.367 4.493 20 30 DIEDLO N#Cc1cccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)c1F ZINC000512462098 340362685 /nfs/dbraw/zinc/36/26/85/340362685.db2.gz IHPWJBMDKNMTBH-UHFFFAOYSA-N 1 2 320.367 4.493 20 30 DIEDLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1F ZINC000512619148 340369327 /nfs/dbraw/zinc/36/93/27/340369327.db2.gz LERGNQUJIWRKEW-NSHDSACASA-N 1 2 317.433 4.302 20 30 DIEDLO C=C(C)COc1cc(C[N@H+](CCC)CC(F)F)ccc1OC ZINC000512623659 340369635 /nfs/dbraw/zinc/36/96/35/340369635.db2.gz SXNZZHMKSMZMPW-UHFFFAOYSA-N 1 2 313.388 4.127 20 30 DIEDLO C=C(C)COc1cc(C[N@@H+](CCC)CC(F)F)ccc1OC ZINC000512623659 340369636 /nfs/dbraw/zinc/36/96/36/340369636.db2.gz SXNZZHMKSMZMPW-UHFFFAOYSA-N 1 2 313.388 4.127 20 30 DIEDLO CCC(CC)c1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)on1 ZINC000512646826 340370744 /nfs/dbraw/zinc/37/07/44/340370744.db2.gz DKGCCFKVHABBQX-LBPRGKRZSA-N 1 2 315.392 4.440 20 30 DIEDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512654782 340371282 /nfs/dbraw/zinc/37/12/82/340371282.db2.gz ORYYZFJEEKSWKE-VXGBXAGGSA-N 1 2 316.351 4.257 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1c(F)cccc1F ZINC000512669205 340372172 /nfs/dbraw/zinc/37/21/72/340372172.db2.gz ZFQYVBBJIPQLBV-WDEREUQCSA-N 1 2 304.315 4.387 20 30 DIEDLO COc1c(C)c[nH+]c(CSc2ccc(C#N)cc2F)c1C ZINC000525115848 340690083 /nfs/dbraw/zinc/69/00/83/340690083.db2.gz CIHJESANKQSJIB-UHFFFAOYSA-N 1 2 302.374 4.010 20 30 DIEDLO C=CC[C@@H](C)[C@H](C)[NH2+]c1ccc(NS(=O)(=O)CCCC)cc1 ZINC000543072231 341030571 /nfs/dbraw/zinc/03/05/71/341030571.db2.gz JRQIBVRXCGGBAZ-CABCVRRESA-N 1 2 324.490 4.241 20 30 DIEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4ccc(C#N)cc4)C3)[nH+]c2c1 ZINC000543438094 341044553 /nfs/dbraw/zinc/04/45/53/341044553.db2.gz ICLZFIASQKTDKW-MRXNPFEDSA-N 1 2 316.408 4.127 20 30 DIEDLO C=CC[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1cccc(C#N)c1 ZINC000134039222 341205173 /nfs/dbraw/zinc/20/51/73/341205173.db2.gz WYHUMELQANVWJJ-UHFFFAOYSA-N 1 2 321.355 4.027 20 30 DIEDLO C=CC[N@H+](Cc1nc2cc(F)ccc2o1)Cc1cccc(C#N)c1 ZINC000134039222 341205174 /nfs/dbraw/zinc/20/51/74/341205174.db2.gz WYHUMELQANVWJJ-UHFFFAOYSA-N 1 2 321.355 4.027 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000237905834 341222752 /nfs/dbraw/zinc/22/27/52/341222752.db2.gz SLEKNWHYDCUSAY-IBGZPJMESA-N 1 2 306.340 4.170 20 30 DIEDLO N#CCC[N@H+](Cc1cccnc1)Cc1cccc2ccccc21 ZINC000078662875 341245917 /nfs/dbraw/zinc/24/59/17/341245917.db2.gz FLIJIKHYVIMVNQ-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO N#CCC[N@@H+](Cc1cccnc1)Cc1cccc2ccccc21 ZINC000078662875 341245918 /nfs/dbraw/zinc/24/59/18/341245918.db2.gz FLIJIKHYVIMVNQ-UHFFFAOYSA-N 1 2 301.393 4.151 20 30 DIEDLO C=CCSCC[NH2+][C@@H](c1cccc(OC(C)C)c1)C(F)F ZINC000550921717 341326844 /nfs/dbraw/zinc/32/68/44/341326844.db2.gz YQLOKUZUMUIRFN-HNNXBMFYSA-N 1 2 315.429 4.289 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Cl)cn1 ZINC000552174406 341375651 /nfs/dbraw/zinc/37/56/51/341375651.db2.gz XQBWYTRSBKYZOI-UHFFFAOYSA-N 1 2 318.852 4.091 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Cl)cn1 ZINC000552174406 341375652 /nfs/dbraw/zinc/37/56/52/341375652.db2.gz XQBWYTRSBKYZOI-UHFFFAOYSA-N 1 2 318.852 4.091 20 30 DIEDLO Cc1cc(C)c(C#N)c(SCCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000555685232 341488610 /nfs/dbraw/zinc/48/86/10/341488610.db2.gz FENCFLYCBRISKX-UHFFFAOYSA-N 1 2 322.437 4.171 20 30 DIEDLO Cc1c[nH+]ccc1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000107285620 526242197 /nfs/dbraw/zinc/24/21/97/526242197.db2.gz JVDUKHBACZCELD-UHFFFAOYSA-N 1 2 313.360 4.181 20 30 DIEDLO Cc1oc(-c2cccs2)nc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000337368064 526746635 /nfs/dbraw/zinc/74/66/35/526746635.db2.gz MTLHTYNXMSOONE-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO Cc1oc(-c2cccs2)nc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000337368064 526746640 /nfs/dbraw/zinc/74/66/40/526746640.db2.gz MTLHTYNXMSOONE-UHFFFAOYSA-N 1 2 323.421 4.215 20 30 DIEDLO COc1c(C)c[nH+]c(CSc2cccc(F)c2C#N)c1C ZINC000572821910 1035670398 /nfs/dbraw/zinc/67/03/98/1035670398.db2.gz MZWASINHXXXVSU-UHFFFAOYSA-N 1 2 302.374 4.010 20 30 DIEDLO C=CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)Cc1cccs1 ZINC000050274536 1037171902 /nfs/dbraw/zinc/17/19/02/1037171902.db2.gz AYRULHGQOCUGKZ-UHFFFAOYSA-N 1 2 317.845 4.237 20 30 DIEDLO C=CC[N@H+](Cc1cn2cc(Cl)ccc2n1)Cc1cccs1 ZINC000050274536 1037171912 /nfs/dbraw/zinc/17/19/12/1037171912.db2.gz AYRULHGQOCUGKZ-UHFFFAOYSA-N 1 2 317.845 4.237 20 30 DIEDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(F)cc1F ZINC000187402136 1037450325 /nfs/dbraw/zinc/45/03/25/1037450325.db2.gz PYGQWVNLZHJRPP-SNVBAGLBSA-N 1 2 306.743 4.341 20 30 DIEDLO CC(C)Oc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000255345092 1037862419 /nfs/dbraw/zinc/86/24/19/1037862419.db2.gz SSKQTODGORMEQC-FLIBITNWSA-N 1 2 306.365 4.018 20 30 DIEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(F)c1F ZINC000187445069 1038084577 /nfs/dbraw/zinc/08/45/77/1038084577.db2.gz KKRREJOQTCBFQF-JTQLQIEISA-N 1 2 306.743 4.341 20 30 DIEDLO CC[N@H+](Cc1ccc(C#N)cc1F)Cc1ccccc1Cl ZINC000603630130 1038255545 /nfs/dbraw/zinc/25/55/45/1038255545.db2.gz OROBUJVFXSXPIU-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO CC[N@@H+](Cc1ccc(C#N)cc1F)Cc1ccccc1Cl ZINC000603630130 1038255558 /nfs/dbraw/zinc/25/55/58/1038255558.db2.gz OROBUJVFXSXPIU-UHFFFAOYSA-N 1 2 302.780 4.373 20 30 DIEDLO C[C@@H]1C[C@H]1C[NH+](Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000603669561 1038263998 /nfs/dbraw/zinc/26/39/98/1038263998.db2.gz MWQIVWNNPKKJFF-IERDGZPVSA-N 1 2 315.420 4.088 20 30 DIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(Cl)s1)C2 ZINC000599686726 1038336898 /nfs/dbraw/zinc/33/68/98/1038336898.db2.gz WXAINRSHQCKKDW-UHFFFAOYSA-N 1 2 302.830 4.026 20 30 DIEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(Cl)s1)C2 ZINC000599686726 1038336911 /nfs/dbraw/zinc/33/69/11/1038336911.db2.gz WXAINRSHQCKKDW-UHFFFAOYSA-N 1 2 302.830 4.026 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1 ZINC000610864009 1038384182 /nfs/dbraw/zinc/38/41/82/1038384182.db2.gz AKPRKFURNRLJSK-ZIAGYGMSSA-N 1 2 318.380 4.020 20 30 DIEDLO C=C[C@@](C)(CC)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000277210252 1038452577 /nfs/dbraw/zinc/45/25/77/1038452577.db2.gz YTSJXUACNOOVKS-FQEVSTJZSA-N 1 2 321.424 4.143 20 30 DIEDLO C(=[NH+]Nc1cccc2cnccc21)c1ccc(N2CCCCC2)o1 ZINC000728432474 1038472663 /nfs/dbraw/zinc/47/26/63/1038472663.db2.gz UKUXLSYGMFKXEJ-UHFFFAOYSA-N 1 2 320.396 4.264 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3coc4ccccc34)n2c1 ZINC000255471619 1038538007 /nfs/dbraw/zinc/53/80/07/1038538007.db2.gz SXTFRJYTLANJHC-FPLPWBNLSA-N 1 2 302.333 4.285 20 30 DIEDLO N#CCc1ccc(C[N@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000582357952 1038639126 /nfs/dbraw/zinc/63/91/26/1038639126.db2.gz XASAAAIAFAFJDF-UHFFFAOYSA-N 1 2 302.830 4.026 20 30 DIEDLO N#CCc1ccc(C[N@@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000582357952 1038639128 /nfs/dbraw/zinc/63/91/28/1038639128.db2.gz XASAAAIAFAFJDF-UHFFFAOYSA-N 1 2 302.830 4.026 20 30 DIEDLO Cc1c[nH+]c(CNc2ccc(Oc3ccccc3)c(C#N)c2)n1C ZINC000342767356 1038766017 /nfs/dbraw/zinc/76/60/17/1038766017.db2.gz ATTNLKSVMXQYJZ-UHFFFAOYSA-N 1 2 318.380 4.005 20 30 DIEDLO N#CC1(c2ccc(NCc3cc[nH+]c(N)c3)cc2)CCCCC1 ZINC001167616697 1038924115 /nfs/dbraw/zinc/92/41/15/1038924115.db2.gz MWFCSUQWZWYZDH-UHFFFAOYSA-N 1 2 306.413 4.001 20 30 DIEDLO N#Cc1c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)sc2c1CCC2 ZINC001213085822 1038970258 /nfs/dbraw/zinc/97/02/58/1038970258.db2.gz YNBYHKOOOJVUGO-UHFFFAOYSA-N 1 2 306.394 4.242 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2cc(Br)cc(C#N)c2)c1 ZINC000404489581 1039284000 /nfs/dbraw/zinc/28/40/00/1039284000.db2.gz OZORPGISYHOUTJ-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO C=C[C@@](C)(CC)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001272319641 1039384499 /nfs/dbraw/zinc/38/44/99/1039384499.db2.gz HGZHYWJVWAARLU-FQEVSTJZSA-N 1 2 324.424 4.394 20 30 DIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)o1 ZINC000154266371 1039822485 /nfs/dbraw/zinc/82/24/85/1039822485.db2.gz PAYINULPWGCDIT-LJQANCHMSA-N 1 2 306.340 4.170 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc(Cl)cc1 ZINC000491739240 1039872986 /nfs/dbraw/zinc/87/29/86/1039872986.db2.gz PVGRPHSNBXIQNG-HNNXBMFYSA-N 1 2 302.830 4.138 20 30 DIEDLO Cc1cc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1C#N ZINC000443984735 1039998496 /nfs/dbraw/zinc/99/84/96/1039998496.db2.gz SSDDTNCDVCENRR-UHFFFAOYSA-N 1 2 322.799 4.318 20 30 DIEDLO O=C1c2cccc(Cl)c2OCC/C1=C/c1cccc2[nH+]ccn21 ZINC000255685108 1040414536 /nfs/dbraw/zinc/41/45/36/1040414536.db2.gz GWRTZGZDXFRPHF-QXMHVHEDSA-N 1 2 324.767 4.037 20 30 DIEDLO C[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1cccc(Br)c1 ZINC000612406425 1040584370 /nfs/dbraw/zinc/58/43/70/1040584370.db2.gz LZJJINIFVHYDGF-BBRMVZONSA-N 1 2 321.262 4.178 20 30 DIEDLO C[C@@H](C[N@H+]1CCC[C@@](C)(C#N)C1)c1cccc(Br)c1 ZINC000612406425 1040584382 /nfs/dbraw/zinc/58/43/82/1040584382.db2.gz LZJJINIFVHYDGF-BBRMVZONSA-N 1 2 321.262 4.178 20 30 DIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000612406803 1040587253 /nfs/dbraw/zinc/58/72/53/1040587253.db2.gz UKNBQIFMWILTSN-NRFANRHFSA-N 1 2 320.436 4.391 20 30 DIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000612406803 1040587270 /nfs/dbraw/zinc/58/72/70/1040587270.db2.gz UKNBQIFMWILTSN-NRFANRHFSA-N 1 2 320.436 4.391 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@H](C)c1cc2n(n1)CCC2)c1ccc(F)c(F)c1 ZINC000414130592 1040902983 /nfs/dbraw/zinc/90/29/83/1040902983.db2.gz JQNBOYOYJUEYDY-XIKOKIGWSA-N 1 2 317.383 4.076 20 30 DIEDLO CCCc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000613442999 1040953072 /nfs/dbraw/zinc/95/30/72/1040953072.db2.gz CXKZUBBMKPMECN-UHFFFAOYSA-N 1 2 309.413 4.329 20 30 DIEDLO Cc1c2ccccc2oc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000180311034 1041116575 /nfs/dbraw/zinc/11/65/75/1041116575.db2.gz PYCWVKWNJXMBBH-MDZDMXLPSA-N 1 2 302.333 4.285 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000368437926 1041121805 /nfs/dbraw/zinc/12/18/05/1041121805.db2.gz HZKATWXCWQKFTQ-KRWDZBQOSA-N 1 2 322.399 4.058 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000368437926 1041121817 /nfs/dbraw/zinc/12/18/17/1041121817.db2.gz HZKATWXCWQKFTQ-KRWDZBQOSA-N 1 2 322.399 4.058 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cccc(COC)c1)c1ccc(Cl)cc1F ZINC000809698490 1041216122 /nfs/dbraw/zinc/21/61/22/1041216122.db2.gz DZNSWQYSVJHTJK-SFHVURJKSA-N 1 2 317.791 4.090 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cccc(OCC)c1)c1ccc(Cl)cc1F ZINC000809699481 1041217867 /nfs/dbraw/zinc/21/78/67/1041217867.db2.gz PDOQZAVZMUIDHH-SFHVURJKSA-N 1 2 317.791 4.342 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(Cl)cc1F ZINC000809698782 1041219587 /nfs/dbraw/zinc/21/95/87/1041219587.db2.gz GDAMJRJDJLWTOR-SFHVURJKSA-N 1 2 324.786 4.491 20 30 DIEDLO C=CCOc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000809689391 1041225527 /nfs/dbraw/zinc/22/55/27/1041225527.db2.gz NCGOAQHNZYXHIM-UHFFFAOYSA-N 1 2 321.779 4.039 20 30 DIEDLO C#CC[N@@H+](Cc1nc2ccc(F)cc2s1)Cc1ccccc1 ZINC000809717274 1041231623 /nfs/dbraw/zinc/23/16/23/1041231623.db2.gz ZBVWRULMFPVYIM-UHFFFAOYSA-N 1 2 310.397 4.071 20 30 DIEDLO C#CC[N@H+](Cc1nc2ccc(F)cc2s1)Cc1ccccc1 ZINC000809717274 1041231640 /nfs/dbraw/zinc/23/16/40/1041231640.db2.gz ZBVWRULMFPVYIM-UHFFFAOYSA-N 1 2 310.397 4.071 20 30 DIEDLO CC(=[NH+]Nc1cccc2ncccc21)c1ccc(N)cc1Cl ZINC000782902112 1041319642 /nfs/dbraw/zinc/31/96/42/1041319642.db2.gz WSUZLEIAQJVSDP-UHFFFAOYSA-N 1 2 310.788 4.307 20 30 DIEDLO C[C@H](Nc1cccc(Cc2ccncc2)[nH+]1)c1cccc(C#N)c1 ZINC001167710488 1041326003 /nfs/dbraw/zinc/32/60/03/1041326003.db2.gz RLCHPJZYKXEORS-HNNXBMFYSA-N 1 2 314.392 4.112 20 30 DIEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000301081187 1041464946 /nfs/dbraw/zinc/46/49/46/1041464946.db2.gz IPTCYKRNRZLNLA-UHFFFAOYSA-N 1 2 308.772 4.009 20 30 DIEDLO COc1ccc2[nH+]cc(Cl)c(N3CCC(CC#N)CC3)c2c1 ZINC000893118493 1041492201 /nfs/dbraw/zinc/49/22/01/1041492201.db2.gz HCDGIGBILIDVHL-UHFFFAOYSA-N 1 2 315.804 4.027 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3coc4ccccc34)n21 ZINC000747704489 1041510536 /nfs/dbraw/zinc/51/05/36/1041510536.db2.gz AEJAQDVBAWZPHB-MDZDMXLPSA-N 1 2 302.333 4.285 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3coc4ccccc34)n21 ZINC000747704488 1041510744 /nfs/dbraw/zinc/51/07/44/1041510744.db2.gz AEJAQDVBAWZPHB-KTKRTIGZSA-N 1 2 302.333 4.285 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cnc(Cl)c(C)c1)c1ccc(Cl)cc1 ZINC000811517498 1041530408 /nfs/dbraw/zinc/53/04/08/1041530408.db2.gz UNMQINWVAZAWON-HNNXBMFYSA-N 1 2 305.208 4.161 20 30 DIEDLO FC(F)(F)c1cscc1C=NNc1cc[nH+]c2ccccc12 ZINC000811641795 1041546622 /nfs/dbraw/zinc/54/66/22/1041546622.db2.gz QQOBHQZDYCIVMI-UHFFFAOYSA-N 1 2 321.327 4.183 20 30 DIEDLO CCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143505954 1041609059 /nfs/dbraw/zinc/60/90/59/1041609059.db2.gz QBKODZHVWPUTFN-UHFFFAOYSA-N 1 2 304.743 4.484 20 30 DIEDLO CCC[N@H+](CCC#N)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143505954 1041609056 /nfs/dbraw/zinc/60/90/56/1041609056.db2.gz QBKODZHVWPUTFN-UHFFFAOYSA-N 1 2 304.743 4.484 20 30 DIEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143506121 1041620392 /nfs/dbraw/zinc/62/03/92/1041620392.db2.gz YOPDPPCAHMZNEH-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143506121 1041620397 /nfs/dbraw/zinc/62/03/97/1041620397.db2.gz YOPDPPCAHMZNEH-LLVKDONJSA-N 1 2 316.754 4.484 20 30 DIEDLO CC[C@@H]([NH2+]C1CCC(OC(C)C)CC1)c1cccc(C#N)c1O ZINC000925611555 1041686159 /nfs/dbraw/zinc/68/61/59/1041686159.db2.gz MUXSLMYYTQMJAH-LEOMRAHMSA-N 1 2 316.445 4.041 20 30 DIEDLO C=C(C)[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(F)c(F)c1 ZINC000660312021 1041710196 /nfs/dbraw/zinc/71/01/96/1041710196.db2.gz MUERYBPLHLQKBZ-KRWDZBQOSA-N 1 2 304.340 4.237 20 30 DIEDLO CC(=[NH+]Nc1cccc(Br)c1)c1cc(N)ccc1F ZINC000814786293 1041869991 /nfs/dbraw/zinc/86/99/91/1041869991.db2.gz CUHSJUHFZCSCDY-UHFFFAOYSA-N 1 2 322.181 4.007 20 30 DIEDLO CCC(=[NH+]Nc1ccc(Cl)nc1)c1ccc(Cl)c(N)c1 ZINC000814858589 1041878109 /nfs/dbraw/zinc/87/81/09/1041878109.db2.gz CXIYIPJYDCDAAE-UHFFFAOYSA-N 1 2 309.200 4.197 20 30 DIEDLO C=CC[N@H+](Cc1cc(-c2ccccc2Cl)on1)[C@@H](C)COC ZINC000661240739 1041910160 /nfs/dbraw/zinc/91/01/60/1041910160.db2.gz SSZQLOIHWAJWDN-ZDUSSCGKSA-N 1 2 320.820 4.018 20 30 DIEDLO C=CC[N@@H+](Cc1cc(-c2ccccc2Cl)on1)[C@@H](C)COC ZINC000661240739 1041910162 /nfs/dbraw/zinc/91/01/62/1041910162.db2.gz SSZQLOIHWAJWDN-ZDUSSCGKSA-N 1 2 320.820 4.018 20 30 DIEDLO C[C@@H](C#N)C[N@H+](Cc1cc2ccnc(Cl)c2s1)C1CC1 ZINC000894085782 1042406786 /nfs/dbraw/zinc/40/67/86/1042406786.db2.gz UCIJVUNJFVNAND-JTQLQIEISA-N 1 2 305.834 4.074 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](Cc1cc2ccnc(Cl)c2s1)C1CC1 ZINC000894085782 1042406788 /nfs/dbraw/zinc/40/67/88/1042406788.db2.gz UCIJVUNJFVNAND-JTQLQIEISA-N 1 2 305.834 4.074 20 30 DIEDLO CCc1nc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cs1 ZINC000614160575 1042418166 /nfs/dbraw/zinc/41/81/66/1042418166.db2.gz HHGSBZZAUZDQSC-UHFFFAOYSA-N 1 2 313.470 4.139 20 30 DIEDLO CCc1nc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cs1 ZINC000614160575 1042418170 /nfs/dbraw/zinc/41/81/70/1042418170.db2.gz HHGSBZZAUZDQSC-UHFFFAOYSA-N 1 2 313.470 4.139 20 30 DIEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000411486286 1042451052 /nfs/dbraw/zinc/45/10/52/1042451052.db2.gz CTQHMPRJTCSRBT-HNNXBMFYSA-N 1 2 323.396 4.121 20 30 DIEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000411486286 1042451058 /nfs/dbraw/zinc/45/10/58/1042451058.db2.gz CTQHMPRJTCSRBT-HNNXBMFYSA-N 1 2 323.396 4.121 20 30 DIEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccco1 ZINC000151121332 1042499798 /nfs/dbraw/zinc/49/97/98/1042499798.db2.gz DHRNZZGFMJYVOP-FQEVSTJZSA-N 1 2 318.376 4.039 20 30 DIEDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000515502782 1042824722 /nfs/dbraw/zinc/82/47/22/1042824722.db2.gz IVLOFOJBVPIECW-CQSZACIVSA-N 1 2 307.372 4.143 20 30 DIEDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000515502782 1042824727 /nfs/dbraw/zinc/82/47/27/1042824727.db2.gz IVLOFOJBVPIECW-CQSZACIVSA-N 1 2 307.372 4.143 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1F)Cc1nc2ccccc2nc1C ZINC000515770257 1042833952 /nfs/dbraw/zinc/83/39/52/1042833952.db2.gz BNHIAGNPZNGHQA-UHFFFAOYSA-N 1 2 321.399 4.266 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1nc2ccccc2nc1C ZINC000515770257 1042833956 /nfs/dbraw/zinc/83/39/56/1042833956.db2.gz BNHIAGNPZNGHQA-UHFFFAOYSA-N 1 2 321.399 4.266 20 30 DIEDLO CCC(CC)n1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425529633 1042837664 /nfs/dbraw/zinc/83/76/64/1042837664.db2.gz CGSWDXJKUCHILK-OAHLLOKOSA-N 1 2 310.445 4.309 20 30 DIEDLO CCC(CC)n1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425529633 1042837667 /nfs/dbraw/zinc/83/76/67/1042837667.db2.gz CGSWDXJKUCHILK-OAHLLOKOSA-N 1 2 310.445 4.309 20 30 DIEDLO COc1cc(C)[nH+]c(CSc2cccc(Cl)c2C#N)c1 ZINC000516754772 1042852610 /nfs/dbraw/zinc/85/26/10/1042852610.db2.gz BGWNXLZWJCCSFW-UHFFFAOYSA-N 1 2 304.802 4.216 20 30 DIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(Cl)cc1F ZINC000187961205 1042987852 /nfs/dbraw/zinc/98/78/52/1042987852.db2.gz TVTVEDNURBJUSO-UHFFFAOYSA-N 1 2 319.767 4.169 20 30 DIEDLO N#CC1CCC(CNc2[nH+]cccc2OCc2ccccc2)CC1 ZINC000440640358 1043002960 /nfs/dbraw/zinc/00/29/60/1043002960.db2.gz SCCNOTLVYPEMHP-UHFFFAOYSA-N 1 2 321.424 4.402 20 30 DIEDLO Oc1ccc(C2=CC[N@H+](CC#Cc3ccccc3Cl)CC2)cc1 ZINC000441141345 1043023144 /nfs/dbraw/zinc/02/31/44/1043023144.db2.gz AKKRKYGPPHLABE-UHFFFAOYSA-N 1 2 323.823 4.186 20 30 DIEDLO Oc1ccc(C2=CC[N@@H+](CC#Cc3ccccc3Cl)CC2)cc1 ZINC000441141345 1043023148 /nfs/dbraw/zinc/02/31/48/1043023148.db2.gz AKKRKYGPPHLABE-UHFFFAOYSA-N 1 2 323.823 4.186 20 30 DIEDLO C[N@H+](Cc1sccc1Br)Cc1cccc(C#N)c1 ZINC000059180677 1043045868 /nfs/dbraw/zinc/04/58/68/1043045868.db2.gz IGHBIMIPCVOTFJ-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO C[N@@H+](Cc1sccc1Br)Cc1cccc(C#N)c1 ZINC000059180677 1043045875 /nfs/dbraw/zinc/04/58/75/1043045875.db2.gz IGHBIMIPCVOTFJ-UHFFFAOYSA-N 1 2 321.243 4.014 20 30 DIEDLO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1OC ZINC000866228841 1043161948 /nfs/dbraw/zinc/16/19/48/1043161948.db2.gz LELHYJSHSMDPJO-CXAGYDPISA-N 1 2 310.397 4.074 20 30 DIEDLO COc1ccc([C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C2CC2)cc1 ZINC000866221086 1043162183 /nfs/dbraw/zinc/16/21/83/1043162183.db2.gz NGHZWYMLNAGOEE-DJJJIMSYSA-N 1 2 322.408 4.074 20 30 DIEDLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c(C)s1 ZINC000866222545 1043162684 /nfs/dbraw/zinc/16/26/84/1043162684.db2.gz IXDHQDZESSKGJF-RYUDHWBXSA-N 1 2 300.427 4.354 20 30 DIEDLO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866235064 1043163659 /nfs/dbraw/zinc/16/36/59/1043163659.db2.gz VFKSRBQZAHQTKT-LSDHHAIUSA-N 1 2 324.424 4.463 20 30 DIEDLO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866353408 1043186579 /nfs/dbraw/zinc/18/65/79/1043186579.db2.gz SLPNONTYYZKXTH-CHWSQXEVSA-N 1 2 312.438 4.398 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)CCCO2 ZINC000866392928 1043195931 /nfs/dbraw/zinc/19/59/31/1043195931.db2.gz IDZOOSARMHRKOC-KGLIPLIRSA-N 1 2 322.408 4.001 20 30 DIEDLO COc1cccc(C2([NH2+][C@@H](C)c3cccc(C#N)c3O)CCC2)c1 ZINC000866392061 1043196854 /nfs/dbraw/zinc/19/68/54/1043196854.db2.gz VZGYDDGDBGDXPY-AWEZNQCLSA-N 1 2 322.408 4.002 20 30 DIEDLO C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866451756 1043204936 /nfs/dbraw/zinc/20/49/36/1043204936.db2.gz XTPLMNPVOZHVRB-IUDNXUCKSA-N 1 2 316.445 4.041 20 30 DIEDLO C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866451757 1043205194 /nfs/dbraw/zinc/20/51/94/1043205194.db2.gz XTPLMNPVOZHVRB-JEYLPNPQSA-N 1 2 316.445 4.041 20 30 DIEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000267053523 1043305659 /nfs/dbraw/zinc/30/56/59/1043305659.db2.gz GWJUCZVTPZFSBW-UHFFFAOYSA-N 1 2 318.364 4.043 20 30 DIEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000267053523 1043305664 /nfs/dbraw/zinc/30/56/64/1043305664.db2.gz GWJUCZVTPZFSBW-UHFFFAOYSA-N 1 2 318.364 4.043 20 30 DIEDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428209342 1043328396 /nfs/dbraw/zinc/32/83/96/1043328396.db2.gz SDAHWBBKTAWCHI-GOSISDBHSA-N 1 2 310.372 4.043 20 30 DIEDLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428209342 1043328404 /nfs/dbraw/zinc/32/84/04/1043328404.db2.gz SDAHWBBKTAWCHI-GOSISDBHSA-N 1 2 310.372 4.043 20 30 DIEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428209344 1043328460 /nfs/dbraw/zinc/32/84/60/1043328460.db2.gz SDAHWBBKTAWCHI-SFHVURJKSA-N 1 2 310.372 4.043 20 30 DIEDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428209344 1043328472 /nfs/dbraw/zinc/32/84/72/1043328472.db2.gz SDAHWBBKTAWCHI-SFHVURJKSA-N 1 2 310.372 4.043 20 30 DIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccs1 ZINC000019540447 1043355171 /nfs/dbraw/zinc/35/51/71/1043355171.db2.gz AFQZDWLBOWXNFB-UHFFFAOYSA-N 1 2 320.845 4.028 20 30 DIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccs1 ZINC000019540447 1043355180 /nfs/dbraw/zinc/35/51/80/1043355180.db2.gz AFQZDWLBOWXNFB-UHFFFAOYSA-N 1 2 320.845 4.028 20 30 DIEDLO C=CC[N@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccccc1 ZINC000271078727 1043401584 /nfs/dbraw/zinc/40/15/84/1043401584.db2.gz UGQKXFKXKPRAGH-QGZVFWFLSA-N 1 2 314.454 4.183 20 30 DIEDLO C=CC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccccc1 ZINC000271078727 1043401591 /nfs/dbraw/zinc/40/15/91/1043401591.db2.gz UGQKXFKXKPRAGH-QGZVFWFLSA-N 1 2 314.454 4.183 20 30 DIEDLO C[C@@H](CC(C)(C)C#N)[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000926073381 1043519781 /nfs/dbraw/zinc/51/97/81/1043519781.db2.gz LHTPEQBKJNTLEY-HRCADAONSA-N 1 2 315.461 4.040 20 30 DIEDLO Cc1cc([NH2+][C@H](C)CC(C)(C)C#N)ccc1N1CCSCC1 ZINC000926074743 1043520274 /nfs/dbraw/zinc/52/02/74/1043520274.db2.gz OENCHTBXZGFCPV-OAHLLOKOSA-N 1 2 317.502 4.289 20 30 DIEDLO CN(C)c1cc(CSCc2ccc(Cl)cc2C#N)cc[nH+]1 ZINC001321365955 1043562350 /nfs/dbraw/zinc/56/23/50/1043562350.db2.gz CFBXBPRXXFDSIR-UHFFFAOYSA-N 1 2 317.845 4.106 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000353416530 1043606315 /nfs/dbraw/zinc/60/63/15/1043606315.db2.gz NKCICRUKWXVYHQ-ZDUSSCGKSA-N 1 2 316.351 4.491 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000353416530 1043606321 /nfs/dbraw/zinc/60/63/21/1043606321.db2.gz NKCICRUKWXVYHQ-ZDUSSCGKSA-N 1 2 316.351 4.491 20 30 DIEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](CCC#N)CCC(C)C ZINC000353420817 1043606535 /nfs/dbraw/zinc/60/65/35/1043606535.db2.gz UKYLKZDUIGGPHW-UHFFFAOYSA-N 1 2 304.482 4.017 20 30 DIEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](CCC#N)CCC(C)C ZINC000353420817 1043606537 /nfs/dbraw/zinc/60/65/37/1043606537.db2.gz UKYLKZDUIGGPHW-UHFFFAOYSA-N 1 2 304.482 4.017 20 30 DIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000353416529 1043606546 /nfs/dbraw/zinc/60/65/46/1043606546.db2.gz NKCICRUKWXVYHQ-CYBMUJFWSA-N 1 2 316.351 4.491 20 30 DIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000353416529 1043606548 /nfs/dbraw/zinc/60/65/48/1043606548.db2.gz NKCICRUKWXVYHQ-CYBMUJFWSA-N 1 2 316.351 4.491 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000353415338 1043606669 /nfs/dbraw/zinc/60/66/69/1043606669.db2.gz HIOHKFILBGURIK-UHFFFAOYSA-N 1 2 310.445 4.024 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000353415338 1043606673 /nfs/dbraw/zinc/60/66/73/1043606673.db2.gz HIOHKFILBGURIK-UHFFFAOYSA-N 1 2 310.445 4.024 20 30 DIEDLO CC[C@H]([NH2+]Cc1csc(C)c1C)c1cccc(C#N)c1O ZINC000926782175 1043632167 /nfs/dbraw/zinc/63/21/67/1043632167.db2.gz SYZAGWOARLCERM-INIZCTEOSA-N 1 2 300.427 4.183 20 30 DIEDLO CC(C)[N@H+](Cc1cccs1)Cc1cc(C#N)cnc1Cl ZINC000876584169 1043697063 /nfs/dbraw/zinc/69/70/63/1043697063.db2.gz XWOFMGIZTQVVFB-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO CC(C)[N@@H+](Cc1cccs1)Cc1cc(C#N)cnc1Cl ZINC000876584169 1043697076 /nfs/dbraw/zinc/69/70/76/1043697076.db2.gz XWOFMGIZTQVVFB-UHFFFAOYSA-N 1 2 305.834 4.079 20 30 DIEDLO C#CCCCCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000876627994 1043703041 /nfs/dbraw/zinc/70/30/41/1043703041.db2.gz MIGOFUNYXPYQFL-MRXNPFEDSA-N 1 2 301.434 4.058 20 30 DIEDLO C#CCCCCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000876627994 1043703056 /nfs/dbraw/zinc/70/30/56/1043703056.db2.gz MIGOFUNYXPYQFL-MRXNPFEDSA-N 1 2 301.434 4.058 20 30 DIEDLO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cc(F)ccc1F ZINC000877054964 1043740551 /nfs/dbraw/zinc/74/05/51/1043740551.db2.gz MDEVTZZALDAHIP-HNNXBMFYSA-N 1 2 321.758 4.126 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000777722898 1043782913 /nfs/dbraw/zinc/78/29/13/1043782913.db2.gz XOCCXOATRIOLSX-HNNXBMFYSA-N 1 2 305.208 4.243 20 30 DIEDLO CCCCCCCC[C@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000826003774 1043819177 /nfs/dbraw/zinc/81/91/77/1043819177.db2.gz VVSJSLWKYUVGCL-ROUUACIJSA-N 1 2 319.493 4.433 20 30 DIEDLO N#CC1(CCCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)CCC1 ZINC000929488365 1043822098 /nfs/dbraw/zinc/82/20/98/1043822098.db2.gz NIKNPXFMVYJHCE-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO N#CC1(CCCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)CCC1 ZINC000929488365 1043822118 /nfs/dbraw/zinc/82/21/18/1043822118.db2.gz NIKNPXFMVYJHCE-SFHVURJKSA-N 1 2 316.420 4.063 20 30 DIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356219889 1043824648 /nfs/dbraw/zinc/82/46/48/1043824648.db2.gz NTRGNGXTDAAEDY-UHFFFAOYSA-N 1 2 314.351 4.173 20 30 DIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356219889 1043824665 /nfs/dbraw/zinc/82/46/65/1043824665.db2.gz NTRGNGXTDAAEDY-UHFFFAOYSA-N 1 2 314.351 4.173 20 30 DIEDLO C=CCCC[C@H]([NH2+]Cc1nc(CC2CC2)no1)c1ccccc1 ZINC000880389475 1044038209 /nfs/dbraw/zinc/03/82/09/1044038209.db2.gz HCDNYVGOEDNCFG-KRWDZBQOSA-N 1 2 311.429 4.209 20 30 DIEDLO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cc(F)ccc1OC ZINC000932474810 1044133751 /nfs/dbraw/zinc/13/37/51/1044133751.db2.gz MAEWRIPOKNOOPL-KRWDZBQOSA-N 1 2 316.351 4.086 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1nc2c(s1)CCC2 ZINC000346870415 1044167133 /nfs/dbraw/zinc/16/71/33/1044167133.db2.gz UTWBMMFCGICCCE-GHMZBOCLSA-N 1 2 315.417 4.054 20 30 DIEDLO C=C1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000360053009 1044231429 /nfs/dbraw/zinc/23/14/29/1044231429.db2.gz JHBNFURAFAYRLH-UHFFFAOYSA-N 1 2 306.381 4.240 20 30 DIEDLO CCSc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000883245839 1044243161 /nfs/dbraw/zinc/24/31/61/1044243161.db2.gz SQFSXNIAEWYSQY-ZDUSSCGKSA-N 1 2 312.438 4.227 20 30 DIEDLO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1F)c1ccc(C#N)cc1F ZINC000883376206 1044290592 /nfs/dbraw/zinc/29/05/92/1044290592.db2.gz GETWVZUDLXVSEW-OYYNGEPBSA-N 1 2 312.363 4.374 20 30 DIEDLO CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cs1 ZINC000361757442 1044440896 /nfs/dbraw/zinc/44/08/96/1044440896.db2.gz XTQUJWZMQDKPMI-NSHDSACASA-N 1 2 303.406 4.128 20 30 DIEDLO Cc1ccc2c(Nc3cccc(C#CC(C)(C)O)c3)cccc2[nH+]1 ZINC001212798872 1044453785 /nfs/dbraw/zinc/45/37/85/1044453785.db2.gz XOVTZYBNBHNCLU-UHFFFAOYSA-N 1 2 316.404 4.409 20 30 DIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2cscn2)cc1Cl ZINC000567916583 1044590193 /nfs/dbraw/zinc/59/01/93/1044590193.db2.gz ZNBAACIKHNWMCG-LLVKDONJSA-N 1 2 308.834 4.212 20 30 DIEDLO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000444667551 1044595210 /nfs/dbraw/zinc/59/52/10/1044595210.db2.gz AMYXHYCBLMPZDA-KRWDZBQOSA-N 1 2 320.864 4.433 20 30 DIEDLO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000444667551 1044595220 /nfs/dbraw/zinc/59/52/20/1044595220.db2.gz AMYXHYCBLMPZDA-KRWDZBQOSA-N 1 2 320.864 4.433 20 30 DIEDLO C[C@@H](c1ccco1)[N@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000088549471 1044659108 /nfs/dbraw/zinc/65/91/08/1044659108.db2.gz GGSPWDRTRLMQRP-AWEZNQCLSA-N 1 2 305.381 4.130 20 30 DIEDLO C[C@@H](c1ccco1)[N@@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000088549471 1044659112 /nfs/dbraw/zinc/65/91/12/1044659112.db2.gz GGSPWDRTRLMQRP-AWEZNQCLSA-N 1 2 305.381 4.130 20 30 DIEDLO C=CCC[C@@H](C(=O)OCc1cccc2[nH+]ccn21)c1ccccc1 ZINC000778688538 1044683089 /nfs/dbraw/zinc/68/30/89/1044683089.db2.gz OXZWOWADEJFUIJ-GOSISDBHSA-N 1 2 320.392 4.128 20 30 DIEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000570114042 1044733385 /nfs/dbraw/zinc/73/33/85/1044733385.db2.gz XSGMLNJBEJUCSM-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000570114042 1044733402 /nfs/dbraw/zinc/73/34/02/1044733402.db2.gz XSGMLNJBEJUCSM-NSHDSACASA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000570114041 1044733925 /nfs/dbraw/zinc/73/39/25/1044733925.db2.gz XSGMLNJBEJUCSM-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000570114041 1044733948 /nfs/dbraw/zinc/73/39/48/1044733948.db2.gz XSGMLNJBEJUCSM-LLVKDONJSA-N 1 2 320.223 4.453 20 30 DIEDLO C#Cc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2OC)cc1 ZINC000367293698 1044737483 /nfs/dbraw/zinc/73/74/83/1044737483.db2.gz DGVIETHEHHAXPU-OAQYLSRUSA-N 1 2 317.388 4.149 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)o1 ZINC000374285096 1045043713 /nfs/dbraw/zinc/04/37/13/1045043713.db2.gz XLXNDFFEXZAOIF-INIZCTEOSA-N 1 2 307.353 4.020 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)o1 ZINC000374285096 1045043728 /nfs/dbraw/zinc/04/37/28/1045043728.db2.gz XLXNDFFEXZAOIF-INIZCTEOSA-N 1 2 307.353 4.020 20 30 DIEDLO CCOCc1ccc(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)cc1 ZINC000924641959 1045187138 /nfs/dbraw/zinc/18/71/38/1045187138.db2.gz XAPFQRLOUMVVHC-IBGZPJMESA-N 1 2 324.424 4.041 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1ccnn1-c1ccccc1 ZINC000448221356 1045221177 /nfs/dbraw/zinc/22/11/77/1045221177.db2.gz YFMCWIHRACMIQU-UHFFFAOYSA-N 1 2 309.438 4.122 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccnn1-c1ccccc1 ZINC000448221356 1045221188 /nfs/dbraw/zinc/22/11/88/1045221188.db2.gz YFMCWIHRACMIQU-UHFFFAOYSA-N 1 2 309.438 4.122 20 30 DIEDLO CC(C)(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1F ZINC000579043436 1045290679 /nfs/dbraw/zinc/29/06/79/1045290679.db2.gz NVXRLSNSWGAGAA-HNNXBMFYSA-N 1 2 321.396 4.170 20 30 DIEDLO CC[N@H+](Cc1cc(C(C)(C)C)on1)[C@H](C)c1ccc(C#N)cc1 ZINC000579531241 1045320866 /nfs/dbraw/zinc/32/08/66/1045320866.db2.gz WXBMXUOQEFNASV-CQSZACIVSA-N 1 2 311.429 4.427 20 30 DIEDLO CC[N@@H+](Cc1cc(C(C)(C)C)on1)[C@H](C)c1ccc(C#N)cc1 ZINC000579531241 1045320870 /nfs/dbraw/zinc/32/08/70/1045320870.db2.gz WXBMXUOQEFNASV-CQSZACIVSA-N 1 2 311.429 4.427 20 30 DIEDLO CCCCCCCCC/C=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779213487 1045371964 /nfs/dbraw/zinc/37/19/64/1045371964.db2.gz KFLKUFKOHPZPPI-MQNTZWLQSA-N 1 2 317.477 4.011 20 30 DIEDLO CCCC[C@H](CC)COCCCNc1ccc(CC#N)c[nH+]1 ZINC001168110895 1045417807 /nfs/dbraw/zinc/41/78/07/1045417807.db2.gz CAMDAUZFTWFSIF-INIZCTEOSA-N 1 2 303.450 4.183 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)s1 ZINC000449737702 1045432762 /nfs/dbraw/zinc/43/27/62/1045432762.db2.gz ZRFUEABXAQFGFY-INIZCTEOSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)s1 ZINC000449737702 1045432764 /nfs/dbraw/zinc/43/27/64/1045432764.db2.gz ZRFUEABXAQFGFY-INIZCTEOSA-N 1 2 304.365 4.235 20 30 DIEDLO C=CC(C)(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000451210766 1045648859 /nfs/dbraw/zinc/64/88/59/1045648859.db2.gz KKWNEHJYBZHVFO-UHFFFAOYSA-N 1 2 309.413 4.037 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccccc1C(F)(F)F ZINC000901417627 1045729282 /nfs/dbraw/zinc/72/92/82/1045729282.db2.gz RBTALSMLCPGTOC-BQYQJAHWSA-N 1 2 308.303 4.379 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1/CCOc2c(Cl)cccc2C1=O ZINC000901474403 1045744475 /nfs/dbraw/zinc/74/44/75/1045744475.db2.gz NXXHRELVVYSMRX-WQLSENKSSA-N 1 2 316.788 4.166 20 30 DIEDLO CSc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1F ZINC000901479952 1045744559 /nfs/dbraw/zinc/74/45/59/1045744559.db2.gz LGNBBEFFGOJGBZ-WAYWQWQTSA-N 1 2 304.390 4.221 20 30 DIEDLO CC(C)n1c[nH+]cc1/C=C1\CCOc2cc(Cl)ccc2C1=O ZINC000901489895 1045746450 /nfs/dbraw/zinc/74/64/50/1045746450.db2.gz KMSBWOMXCVPVHG-KPKJPENVSA-N 1 2 316.788 4.166 20 30 DIEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3c(C)cccn13)CC2 ZINC000753900022 1045814832 /nfs/dbraw/zinc/81/48/32/1045814832.db2.gz FQZUCRJTASJTIR-LFIBNONCSA-N 1 2 302.377 4.164 20 30 DIEDLO Clc1cccc(C2CC(=[NH+]n3cc(Br)cn3)C2)c1 ZINC000753928096 1045820886 /nfs/dbraw/zinc/82/08/86/1045820886.db2.gz HTLDRKOKKCCKDX-UHFFFAOYSA-N 1 2 324.609 4.081 20 30 DIEDLO N#CC1(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCC1 ZINC000828603866 1045919600 /nfs/dbraw/zinc/91/96/00/1045919600.db2.gz JQIHEJHDZJCMGA-UHFFFAOYSA-N 1 2 312.363 4.338 20 30 DIEDLO CCCCCCCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000754841885 1045931872 /nfs/dbraw/zinc/93/18/72/1045931872.db2.gz KKXLQOLNWFBPAT-UHFFFAOYSA-N 1 2 313.445 4.022 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(C(F)(F)F)c1 ZINC001137864777 1045990290 /nfs/dbraw/zinc/99/02/90/1045990290.db2.gz LALMLGLIQKWCIY-LYILDCAHSA-N 1 2 312.310 4.111 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(C(F)(F)F)c1 ZINC001137864777 1045990304 /nfs/dbraw/zinc/99/03/04/1045990304.db2.gz LALMLGLIQKWCIY-LYILDCAHSA-N 1 2 312.310 4.111 20 30 DIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cc(F)cc(F)c1 ZINC000755707597 1046010313 /nfs/dbraw/zinc/01/03/13/1046010313.db2.gz ZYEOLNUIJKCCDX-IHWYPQMZSA-N 1 2 318.710 4.162 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(F)(F)F)c1F ZINC001138011041 1046054020 /nfs/dbraw/zinc/05/40/20/1046054020.db2.gz KYCKKBGSSQXYJI-UOJUARBOSA-N 1 2 312.310 4.111 20 30 DIEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)(F)F)c1F ZINC001138011041 1046054034 /nfs/dbraw/zinc/05/40/34/1046054034.db2.gz KYCKKBGSSQXYJI-UOJUARBOSA-N 1 2 312.310 4.111 20 30 DIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccccc1Cl ZINC000783696944 1046162803 /nfs/dbraw/zinc/16/28/03/1046162803.db2.gz LSKXJRZHISGOAX-AATRIKPKSA-N 1 2 314.797 4.483 20 30 DIEDLO C=C(Br)C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000779970368 1046181451 /nfs/dbraw/zinc/18/14/51/1046181451.db2.gz GAMIECQGBFZQJT-UHFFFAOYSA-N 1 2 308.175 4.070 20 30 DIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c1 ZINC000779982235 1046185491 /nfs/dbraw/zinc/18/54/91/1046185491.db2.gz UWFMNNWGCNVENB-UHFFFAOYSA-N 1 2 322.339 4.372 20 30 DIEDLO COc1c(Cl)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001138478324 1046197547 /nfs/dbraw/zinc/19/75/47/1046197547.db2.gz VHKNBMCSRBCFKN-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001138478324 1046197553 /nfs/dbraw/zinc/19/75/53/1046197553.db2.gz VHKNBMCSRBCFKN-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO CC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1cccc(C#N)c1 ZINC000903264753 1046214392 /nfs/dbraw/zinc/21/43/92/1046214392.db2.gz CJQZCPFZRCCFLI-ZIFCJYIRSA-N 1 2 310.372 4.071 20 30 DIEDLO CC(C)(C)c1coc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000903312901 1046235384 /nfs/dbraw/zinc/23/53/84/1046235384.db2.gz CIQFOBFFINYJEM-KRWDZBQOSA-N 1 2 323.440 4.401 20 30 DIEDLO CC(C)c1[nH+]c(C=NOCc2ccc(F)cc2)c2ccccn21 ZINC000758141936 1046250438 /nfs/dbraw/zinc/25/04/38/1046250438.db2.gz AKKMKOVIQXJNQE-UHFFFAOYSA-N 1 2 311.360 4.148 20 30 DIEDLO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001138662782 1046260763 /nfs/dbraw/zinc/26/07/63/1046260763.db2.gz CCHTUMHPESQVBU-GOSISDBHSA-N 1 2 312.413 4.275 20 30 DIEDLO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001138662782 1046260775 /nfs/dbraw/zinc/26/07/75/1046260775.db2.gz CCHTUMHPESQVBU-GOSISDBHSA-N 1 2 312.413 4.275 20 30 DIEDLO CCc1cccc2cc(C[NH+]3CCC(C#N)CC3)c(Cl)nc21 ZINC001138726346 1046278540 /nfs/dbraw/zinc/27/85/40/1046278540.db2.gz AMFRCXGEQRUWHQ-UHFFFAOYSA-N 1 2 313.832 4.186 20 30 DIEDLO C=C(C)[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(F)c(F)c1 ZINC000639057746 1046354905 /nfs/dbraw/zinc/35/49/05/1046354905.db2.gz DXYVDJKVLJWQMN-DLBZAZTESA-N 1 2 317.383 4.056 20 30 DIEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cc2ccccc2s1 ZINC000780189429 1046377882 /nfs/dbraw/zinc/37/78/82/1046377882.db2.gz ZZNCBYJNWDIUEC-CMDGGOBGSA-N 1 2 304.374 4.445 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001139070298 1046378308 /nfs/dbraw/zinc/37/83/08/1046378308.db2.gz JSJABJUKEHVQOY-MRXNPFEDSA-N 1 2 306.409 4.098 20 30 DIEDLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001139070298 1046378317 /nfs/dbraw/zinc/37/83/17/1046378317.db2.gz JSJABJUKEHVQOY-MRXNPFEDSA-N 1 2 306.409 4.098 20 30 DIEDLO C=CC[NH+](CC=C)Cc1cc2ccc(OC)cc2nc1Cl ZINC001139307825 1046408755 /nfs/dbraw/zinc/40/87/55/1046408755.db2.gz OKFUOBRJGLVWCE-UHFFFAOYSA-N 1 2 302.805 4.071 20 30 DIEDLO Cn1ccc2ccc(C[N@H+](CCC#N)Cc3ccccc3)cc21 ZINC001139205084 1046412807 /nfs/dbraw/zinc/41/28/07/1046412807.db2.gz VSWQIKOKIYXHKU-UHFFFAOYSA-N 1 2 303.409 4.094 20 30 DIEDLO Cn1ccc2ccc(C[N@@H+](CCC#N)Cc3ccccc3)cc21 ZINC001139205084 1046412810 /nfs/dbraw/zinc/41/28/10/1046412810.db2.gz VSWQIKOKIYXHKU-UHFFFAOYSA-N 1 2 303.409 4.094 20 30 DIEDLO O=C1c2c3ccccc3[nH]c2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000781552571 1046455678 /nfs/dbraw/zinc/45/56/78/1046455678.db2.gz YIMTXVXFVQMRLP-QBFSEMIESA-N 1 2 313.360 4.028 20 30 DIEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ccccc12)Cc1cccs1 ZINC000105139481 1046533656 /nfs/dbraw/zinc/53/36/56/1046533656.db2.gz YIUZONAKWOJLDO-UHFFFAOYSA-N 1 2 310.422 4.100 20 30 DIEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ccccc12)Cc1cccs1 ZINC000105139481 1046533660 /nfs/dbraw/zinc/53/36/60/1046533660.db2.gz YIUZONAKWOJLDO-UHFFFAOYSA-N 1 2 310.422 4.100 20 30 DIEDLO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC001139876107 1046538946 /nfs/dbraw/zinc/53/89/46/1046538946.db2.gz LFIMKBDWHILCPS-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC001139876107 1046538958 /nfs/dbraw/zinc/53/89/58/1046538958.db2.gz LFIMKBDWHILCPS-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO CC(=[NH+]Nc1cc(F)c(F)c(F)c1)c1ccc(N)cc1Cl ZINC000782907850 1046547504 /nfs/dbraw/zinc/54/75/04/1046547504.db2.gz XDTPSSNDRNIVHP-UHFFFAOYSA-N 1 2 313.710 4.176 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c(F)c1 ZINC001140139754 1046598915 /nfs/dbraw/zinc/59/89/15/1046598915.db2.gz CYBCWLRLHAUOFC-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c(F)c1 ZINC001140139754 1046598922 /nfs/dbraw/zinc/59/89/22/1046598922.db2.gz CYBCWLRLHAUOFC-SFHVURJKSA-N 1 2 316.326 4.313 20 30 DIEDLO C[N@H+](CCC#N)Cc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC001140227508 1046619106 /nfs/dbraw/zinc/61/91/06/1046619106.db2.gz YHQRLZNZFFHSOV-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO C[N@@H+](CCC#N)Cc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC001140227508 1046619118 /nfs/dbraw/zinc/61/91/18/1046619118.db2.gz YHQRLZNZFFHSOV-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cccc(Cl)c1 ZINC000783695753 1046622633 /nfs/dbraw/zinc/62/26/33/1046622633.db2.gz ILEYODHTMXMLED-SNAWJCMRSA-N 1 2 314.797 4.483 20 30 DIEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000783697516 1046624061 /nfs/dbraw/zinc/62/40/61/1046624061.db2.gz RIDSNBBFKYAJOB-WAYWQWQTSA-N 1 2 314.797 4.483 20 30 DIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc(F)c(F)c1 ZINC000783699154 1046624127 /nfs/dbraw/zinc/62/41/27/1046624127.db2.gz GOAQPQASTSYDPU-DUXPYHPUSA-N 1 2 316.332 4.108 20 30 DIEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(-c2ccccc2)nc1 ZINC000532893917 1046625472 /nfs/dbraw/zinc/62/54/72/1046625472.db2.gz BTYNNEJOBIPKDC-UHFFFAOYSA-N 1 2 321.449 4.393 20 30 DIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(-c2ccccc2)nc1 ZINC000532893917 1046625488 /nfs/dbraw/zinc/62/54/88/1046625488.db2.gz BTYNNEJOBIPKDC-UHFFFAOYSA-N 1 2 321.449 4.393 20 30 DIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cccc(F)c1F ZINC000783713707 1046628036 /nfs/dbraw/zinc/62/80/36/1046628036.db2.gz VGEGVMBUIOUVLM-SNAWJCMRSA-N 1 2 316.332 4.108 20 30 DIEDLO O=C1c2cc(F)ccc2CC/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783713576 1046628475 /nfs/dbraw/zinc/62/84/75/1046628475.db2.gz RAFQKUJRBGLVSD-NTUHNPAUSA-N 1 2 324.380 4.285 20 30 DIEDLO CC[N@H+](Cc1ccc(C#N)nc1)Cc1ccc(Cl)cc1Cl ZINC001140546904 1046776223 /nfs/dbraw/zinc/77/62/23/1046776223.db2.gz ZKJUQECXQHUHOJ-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO CC[N@@H+](Cc1ccc(C#N)nc1)Cc1ccc(Cl)cc1Cl ZINC001140546904 1046776235 /nfs/dbraw/zinc/77/62/35/1046776235.db2.gz ZKJUQECXQHUHOJ-UHFFFAOYSA-N 1 2 320.223 4.282 20 30 DIEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1OC(F)F ZINC000303016852 1046847209 /nfs/dbraw/zinc/84/72/09/1046847209.db2.gz SHURVZVZJAGNRK-UHFFFAOYSA-N 1 2 319.326 4.063 20 30 DIEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1OC(F)F ZINC000303016852 1046847231 /nfs/dbraw/zinc/84/72/31/1046847231.db2.gz SHURVZVZJAGNRK-UHFFFAOYSA-N 1 2 319.326 4.063 20 30 DIEDLO C[N@H+](CCC#N)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001140693959 1046854122 /nfs/dbraw/zinc/85/41/22/1046854122.db2.gz NHOSATYXWDGDTO-UHFFFAOYSA-N 1 2 302.462 4.333 20 30 DIEDLO C[N@@H+](CCC#N)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001140693959 1046854142 /nfs/dbraw/zinc/85/41/42/1046854142.db2.gz NHOSATYXWDGDTO-UHFFFAOYSA-N 1 2 302.462 4.333 20 30 DIEDLO C#CC[N@@H+](Cc1cccc(C#N)c1Cl)[C@@H]1CCc2ccccc21 ZINC001140809746 1046910370 /nfs/dbraw/zinc/91/03/70/1046910370.db2.gz GDPHZJHESYALKK-LJQANCHMSA-N 1 2 320.823 4.334 20 30 DIEDLO C#CC[N@H+](Cc1cccc(C#N)c1Cl)[C@@H]1CCc2ccccc21 ZINC001140809746 1046910382 /nfs/dbraw/zinc/91/03/82/1046910382.db2.gz GDPHZJHESYALKK-LJQANCHMSA-N 1 2 320.823 4.334 20 30 DIEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@H](C#N)C3)cc2)cc1 ZINC001141295863 1047079637 /nfs/dbraw/zinc/07/96/37/1047079637.db2.gz OAYAIBJCDASPMM-GOSISDBHSA-N 1 2 317.392 4.086 20 30 DIEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H](C#N)C3)cc2)cc1 ZINC001141295863 1047079651 /nfs/dbraw/zinc/07/96/51/1047079651.db2.gz OAYAIBJCDASPMM-GOSISDBHSA-N 1 2 317.392 4.086 20 30 DIEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1cccc(C#N)c1F ZINC000537046201 1047134753 /nfs/dbraw/zinc/13/47/53/1047134753.db2.gz WULDWGIJKJXXLT-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1cccc(C#N)c1F ZINC000537046201 1047134756 /nfs/dbraw/zinc/13/47/56/1047134756.db2.gz WULDWGIJKJXXLT-UHFFFAOYSA-N 1 2 306.743 4.122 20 30 DIEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000827651037 1047145780 /nfs/dbraw/zinc/14/57/80/1047145780.db2.gz YMIKCAIINALMGS-CYBMUJFWSA-N 1 2 300.349 4.034 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000827651037 1047145784 /nfs/dbraw/zinc/14/57/84/1047145784.db2.gz YMIKCAIINALMGS-CYBMUJFWSA-N 1 2 300.349 4.034 20 30 DIEDLO CC[N@@H+](Cc1ccc(Cl)c(Br)c1)C[C@@H](C)C#N ZINC000537207005 1047151115 /nfs/dbraw/zinc/15/11/15/1047151115.db2.gz NKFYAMXHFIPAHT-JTQLQIEISA-N 1 2 315.642 4.084 20 30 DIEDLO CC[N@H+](Cc1ccc(Cl)c(Br)c1)C[C@@H](C)C#N ZINC000537207005 1047151123 /nfs/dbraw/zinc/15/11/23/1047151123.db2.gz NKFYAMXHFIPAHT-JTQLQIEISA-N 1 2 315.642 4.084 20 30 DIEDLO C=C(Br)C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000389980805 1047292744 /nfs/dbraw/zinc/29/27/44/1047292744.db2.gz ISZXYDLFGDDYQV-UHFFFAOYSA-N 1 2 312.997 4.131 20 30 DIEDLO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)c2csnn2)cc1 ZINC000840886053 1047353134 /nfs/dbraw/zinc/35/31/34/1047353134.db2.gz MTFMYTQTGIGPFO-VXGBXAGGSA-N 1 2 323.849 4.081 20 30 DIEDLO C=CC[N@H+](Cc1ccccc1)Cc1nc(C)c2ccccc2n1 ZINC000107896302 1047387973 /nfs/dbraw/zinc/38/79/73/1047387973.db2.gz NZIVNIHVUBBTRW-UHFFFAOYSA-N 1 2 303.409 4.126 20 30 DIEDLO C=CC[N@@H+](Cc1ccccc1)Cc1nc(C)c2ccccc2n1 ZINC000107896302 1047387981 /nfs/dbraw/zinc/38/79/81/1047387981.db2.gz NZIVNIHVUBBTRW-UHFFFAOYSA-N 1 2 303.409 4.126 20 30 DIEDLO C=CCCn1cc(C[N@@H+](CCCC)[C@H](C)c2ccc(C)o2)nn1 ZINC000653522504 1047396855 /nfs/dbraw/zinc/39/68/55/1047396855.db2.gz KYEYKEULUOPPFJ-MRXNPFEDSA-N 1 2 316.449 4.119 20 30 DIEDLO C=CCCn1cc(C[N@H+](CCCC)[C@H](C)c2ccc(C)o2)nn1 ZINC000653522504 1047396861 /nfs/dbraw/zinc/39/68/61/1047396861.db2.gz KYEYKEULUOPPFJ-MRXNPFEDSA-N 1 2 316.449 4.119 20 30 DIEDLO N#CC1([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC001168336195 1047490738 /nfs/dbraw/zinc/49/07/38/1047490738.db2.gz WLIKZPPSGDEEPH-UHFFFAOYSA-N 1 2 318.848 4.029 20 30 DIEDLO CC(C)c1nc(C[N@H+](C)Cc2c[nH]c3cc(C#N)ccc23)cs1 ZINC001142922806 1047515340 /nfs/dbraw/zinc/51/53/40/1047515340.db2.gz WRDIWWRTNPGVDJ-UHFFFAOYSA-N 1 2 324.453 4.251 20 30 DIEDLO CC(C)c1nc(C[N@@H+](C)Cc2c[nH]c3cc(C#N)ccc23)cs1 ZINC001142922806 1047515345 /nfs/dbraw/zinc/51/53/45/1047515345.db2.gz WRDIWWRTNPGVDJ-UHFFFAOYSA-N 1 2 324.453 4.251 20 30 DIEDLO COc1ccc([C@H](C)[N@H+](C)Cc2c(F)ccc(C#N)c2F)cc1 ZINC001143174213 1047537366 /nfs/dbraw/zinc/53/73/66/1047537366.db2.gz NNVYNEOMQKYSGZ-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO COc1ccc([C@H](C)[N@@H+](C)Cc2c(F)ccc(C#N)c2F)cc1 ZINC001143174213 1047537378 /nfs/dbraw/zinc/53/73/78/1047537378.db2.gz NNVYNEOMQKYSGZ-LBPRGKRZSA-N 1 2 316.351 4.038 20 30 DIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093090716 1047542419 /nfs/dbraw/zinc/54/24/19/1047542419.db2.gz BRXHBEMAVUTKQU-LBPRGKRZSA-N 1 2 315.398 4.057 20 30 DIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093090716 1047542425 /nfs/dbraw/zinc/54/24/25/1047542425.db2.gz BRXHBEMAVUTKQU-LBPRGKRZSA-N 1 2 315.398 4.057 20 30 DIEDLO Cn1cc(CNc2[nH+]ccc3ccc(C#N)cc32)c2ccccc21 ZINC001155285997 1047675178 /nfs/dbraw/zinc/67/51/78/1047675178.db2.gz HHSJWOJLJNBLQI-UHFFFAOYSA-N 1 2 312.376 4.210 20 30 DIEDLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000538638597 1047693649 /nfs/dbraw/zinc/69/36/49/1047693649.db2.gz ZVPNKEZWJNMGED-CQSZACIVSA-N 1 2 324.403 4.256 20 30 DIEDLO N#Cc1ccc(CCNc2[nH+]ccc3cccc(Cl)c32)cc1 ZINC001156837241 1047723308 /nfs/dbraw/zinc/72/33/08/1047723308.db2.gz DCWUEANHUVCHNO-UHFFFAOYSA-N 1 2 307.784 4.414 20 30 DIEDLO N#Cc1ccc(CCNc2[nH+]ccc3cc(Cl)ccc32)cc1 ZINC001156835383 1047723316 /nfs/dbraw/zinc/72/33/16/1047723316.db2.gz OYKKTWDXXPQLSB-UHFFFAOYSA-N 1 2 307.784 4.414 20 30 DIEDLO Cc1ccc(Nc2cc(Br)cc(F)c2C#N)c(C)[nH+]1 ZINC001203379500 1047734957 /nfs/dbraw/zinc/73/49/57/1047734957.db2.gz BKKQLIKFKXZUEA-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3CCNc4ccccc43)c2c1 ZINC001157835621 1047758064 /nfs/dbraw/zinc/75/80/64/1047758064.db2.gz SLDDRHKIOUVWKY-GOSISDBHSA-N 1 2 300.365 4.075 20 30 DIEDLO COc1ccc2[nH+]c(NCc3ccc(C#N)c(F)c3)c(C)cc2c1 ZINC001159082718 1047810950 /nfs/dbraw/zinc/81/09/50/1047810950.db2.gz MWJQJTDFYPFDRV-UHFFFAOYSA-N 1 2 321.355 4.175 20 30 DIEDLO C=C(C)[C@@H]([NH2+]Cc1cccc(OCC)n1)c1ccc(F)c(F)c1 ZINC000479404654 1047878426 /nfs/dbraw/zinc/87/84/26/1047878426.db2.gz DOYSLTAXEUSKFV-GOSISDBHSA-N 1 2 318.367 4.166 20 30 DIEDLO Cc1cc(N[C@@H]2CCc3c2cccc3C#N)nc(C(C)(C)C)[nH+]1 ZINC001159918735 1047949953 /nfs/dbraw/zinc/94/99/53/1047949953.db2.gz FUFJYJACHKEVNP-MRXNPFEDSA-N 1 2 306.413 4.054 20 30 DIEDLO C=CC[C@H]1CC[N@H+]1Cc1cc(Br)ccc1Cl ZINC001198491115 1047964589 /nfs/dbraw/zinc/96/45/89/1047964589.db2.gz OLJKYRUDQMVWFH-LBPRGKRZSA-N 1 2 300.627 4.253 20 30 DIEDLO C=CC[C@H]1CC[N@@H+]1Cc1cc(Br)ccc1Cl ZINC001198491115 1047964599 /nfs/dbraw/zinc/96/45/99/1047964599.db2.gz OLJKYRUDQMVWFH-LBPRGKRZSA-N 1 2 300.627 4.253 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1nc(C)[nH+]c2c1CCC2 ZINC001160182376 1047991074 /nfs/dbraw/zinc/99/10/74/1047991074.db2.gz AXGLMFHLZZAYIQ-CYBMUJFWSA-N 1 2 309.413 4.012 20 30 DIEDLO N#CCc1cc[nH+]c(N[C@H](c2ccccc2)c2ccc(O)cc2)c1 ZINC001160494843 1048057103 /nfs/dbraw/zinc/05/71/03/1048057103.db2.gz FERVHLJGNWGYTA-HXUWFJFHSA-N 1 2 315.376 4.055 20 30 DIEDLO N#Cc1cc2[nH]c(NC(=[NH2+])c3cccc4ccccc43)ccc-2n1 ZINC001160505946 1048062276 /nfs/dbraw/zinc/06/22/76/1048062276.db2.gz YDZRMOAHEXYIDP-UHFFFAOYSA-N 1 2 311.348 4.025 20 30 DIEDLO N#Cc1c(Cl)ccc(Nc2cccc3[nH+]c[nH]c32)c1Cl ZINC001213034610 1048155312 /nfs/dbraw/zinc/15/53/12/1048155312.db2.gz TWLGJRGJVBXVTA-UHFFFAOYSA-N 1 2 303.152 4.485 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1NCc1cccc(OC(F)F)c1 ZINC001161984977 1048207285 /nfs/dbraw/zinc/20/72/85/1048207285.db2.gz FSRMAWCGQQDMHK-UHFFFAOYSA-N 1 2 304.340 4.332 20 30 DIEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(F)c1Cl ZINC001175348907 1048260075 /nfs/dbraw/zinc/26/00/75/1048260075.db2.gz JHEYKAGMTLJICE-UHFFFAOYSA-N 1 2 316.767 4.090 20 30 DIEDLO CC(C)(C#N)c1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352888 1048273774 /nfs/dbraw/zinc/27/37/74/1048273774.db2.gz WEIJEBYTLFEHQE-UHFFFAOYSA-N 1 2 306.413 4.227 20 30 DIEDLO Cc1cn2cccc(Nc3ccc(C(F)(F)F)cc3C#N)c2[nH+]1 ZINC001201691856 1048358915 /nfs/dbraw/zinc/35/89/15/1048358915.db2.gz SYAIYCBMWPOTRO-UHFFFAOYSA-N 1 2 316.286 4.277 20 30 DIEDLO CCOc1cc[nH+]cc1Nc1ccc(C(F)(F)F)cc1C#N ZINC001201691339 1048359492 /nfs/dbraw/zinc/35/94/92/1048359492.db2.gz ISUNSDYFRXQKAB-UHFFFAOYSA-N 1 2 307.275 4.114 20 30 DIEDLO C=CCc1cc(C)c[nH+]c1NC1(c2ccc(C(=O)OC)cc2)CC1 ZINC001162859169 1048371514 /nfs/dbraw/zinc/37/15/14/1048371514.db2.gz MOELPYNZAZOKNP-UHFFFAOYSA-N 1 2 322.408 4.006 20 30 DIEDLO CCCOc1ccc(C[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC000481354871 1048380991 /nfs/dbraw/zinc/38/09/91/1048380991.db2.gz ZFRKTLPPSDURJW-UHFFFAOYSA-N 1 2 308.425 4.391 20 30 DIEDLO CCCOc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC000481354871 1048381001 /nfs/dbraw/zinc/38/10/01/1048381001.db2.gz ZFRKTLPPSDURJW-UHFFFAOYSA-N 1 2 308.425 4.391 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2ccc(OC(F)(F)F)cc2C#N)c1 ZINC001203667503 1048436028 /nfs/dbraw/zinc/43/60/28/1048436028.db2.gz MTLATHDSVLRADI-UHFFFAOYSA-N 1 2 307.275 4.212 20 30 DIEDLO C#C[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)c1ccc(Cl)cc1F ZINC001163273995 1048445918 /nfs/dbraw/zinc/44/59/18/1048445918.db2.gz XAIDPMHGENQSBP-HNNXBMFYSA-N 1 2 315.779 4.241 20 30 DIEDLO C#CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000776253305 1048466837 /nfs/dbraw/zinc/46/68/37/1048466837.db2.gz VHQCNJLJOHRDBX-INIZCTEOSA-N 1 2 303.764 4.039 20 30 DIEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2Cl)C1 ZINC001250276891 1048514987 /nfs/dbraw/zinc/51/49/87/1048514987.db2.gz OOGHQAREWWERSX-SNVBAGLBSA-N 1 2 319.729 4.343 20 30 DIEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2Cl)C1 ZINC001250276891 1048514992 /nfs/dbraw/zinc/51/49/92/1048514992.db2.gz OOGHQAREWWERSX-SNVBAGLBSA-N 1 2 319.729 4.343 20 30 DIEDLO Cc1cccc2c(C)cc(N(C)Cc3ccc(C#N)cc3)[nH+]c12 ZINC001166537992 1048760760 /nfs/dbraw/zinc/76/07/60/1048760760.db2.gz MNBLNRIWYICNQN-UHFFFAOYSA-N 1 2 301.393 4.360 20 30 DIEDLO C#CC[N@H+](Cc1cnc(-c2ccccc2)o1)Cc1ccc(F)cc1 ZINC001190708438 1048774161 /nfs/dbraw/zinc/77/41/61/1048774161.db2.gz SEUHYSJJRMJPOT-UHFFFAOYSA-N 1 2 320.367 4.116 20 30 DIEDLO C#CC[N@@H+](Cc1cnc(-c2ccccc2)o1)Cc1ccc(F)cc1 ZINC001190708438 1048774170 /nfs/dbraw/zinc/77/41/70/1048774170.db2.gz SEUHYSJJRMJPOT-UHFFFAOYSA-N 1 2 320.367 4.116 20 30 DIEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC001176814728 1048791083 /nfs/dbraw/zinc/79/10/83/1048791083.db2.gz QGGSEYXWMKQPSA-INIZCTEOSA-N 1 2 322.408 4.068 20 30 DIEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC001176814728 1048791093 /nfs/dbraw/zinc/79/10/93/1048791093.db2.gz QGGSEYXWMKQPSA-INIZCTEOSA-N 1 2 322.408 4.068 20 30 DIEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000483428671 1048794288 /nfs/dbraw/zinc/79/42/88/1048794288.db2.gz DRCXNUOXHXKIBT-UHFFFAOYSA-N 1 2 322.861 4.098 20 30 DIEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000483428671 1048794297 /nfs/dbraw/zinc/79/42/97/1048794297.db2.gz DRCXNUOXHXKIBT-UHFFFAOYSA-N 1 2 322.861 4.098 20 30 DIEDLO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328463 1048833609 /nfs/dbraw/zinc/83/36/09/1048833609.db2.gz FSFXMKXSXXNXFN-AZUAARDMSA-N 1 2 323.415 4.229 20 30 DIEDLO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328463 1048833629 /nfs/dbraw/zinc/83/36/29/1048833629.db2.gz FSFXMKXSXXNXFN-AZUAARDMSA-N 1 2 323.415 4.229 20 30 DIEDLO CCCCCCCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001191104546 1048851521 /nfs/dbraw/zinc/85/15/21/1048851521.db2.gz IKLJHMVLHXJISH-UHFFFAOYSA-N 1 2 314.433 4.023 20 30 DIEDLO N#CC[C@H]1CCC[N@@H+](Cn2c(=S)oc3cc(Cl)ccc32)C1 ZINC000853525286 1048909448 /nfs/dbraw/zinc/90/94/48/1048909448.db2.gz CQJUHSKYCQJNDF-LLVKDONJSA-N 1 2 321.833 4.200 20 30 DIEDLO N#CC[C@H]1CCC[N@H+](Cn2c(=S)oc3cc(Cl)ccc32)C1 ZINC000853525286 1048909465 /nfs/dbraw/zinc/90/94/65/1048909465.db2.gz CQJUHSKYCQJNDF-LLVKDONJSA-N 1 2 321.833 4.200 20 30 DIEDLO Cc1c[nH+]c(C)c(Nc2cc(C#N)ccc2Br)c1 ZINC001203666766 1048954400 /nfs/dbraw/zinc/95/44/00/1048954400.db2.gz GFWPALJHINWYHF-UHFFFAOYSA-N 1 2 302.175 4.076 20 30 DIEDLO C=CCOc1ccccc1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001177875528 1048949904 /nfs/dbraw/zinc/94/99/04/1048949904.db2.gz KCDSDCFMBJIZAA-UHFFFAOYSA-N 1 2 320.392 4.196 20 30 DIEDLO CNc1ccc(C#N)cc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203724384 1048982742 /nfs/dbraw/zinc/98/27/42/1048982742.db2.gz LNXXBVRAMVCWJL-UHFFFAOYSA-N 1 2 306.413 4.334 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)c1 ZINC001203762435 1048994105 /nfs/dbraw/zinc/99/41/05/1048994105.db2.gz IAQRVEYFMLZYIY-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)c1 ZINC001203762435 1048994115 /nfs/dbraw/zinc/99/41/15/1048994115.db2.gz IAQRVEYFMLZYIY-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO C[N@H+](Cc1ccncc1C#N)C1c2ccccc2-c2ccccc21 ZINC001191997527 1049023504 /nfs/dbraw/zinc/02/35/04/1049023504.db2.gz MUGTYCLXRQNJLV-UHFFFAOYSA-N 1 2 311.388 4.155 20 30 DIEDLO C[N@@H+](Cc1ccncc1C#N)C1c2ccccc2-c2ccccc21 ZINC001191997527 1049023518 /nfs/dbraw/zinc/02/35/18/1049023518.db2.gz MUGTYCLXRQNJLV-UHFFFAOYSA-N 1 2 311.388 4.155 20 30 DIEDLO N#Cc1ccccc1C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001204373269 1049153387 /nfs/dbraw/zinc/15/33/87/1049153387.db2.gz QDOPVKGIVBUEOH-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO N#Cc1ccccc1C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001204373269 1049153390 /nfs/dbraw/zinc/15/33/90/1049153390.db2.gz QDOPVKGIVBUEOH-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(Cl)c1O ZINC001206376223 1049153413 /nfs/dbraw/zinc/15/34/13/1049153413.db2.gz CXEKXOQUVKLRSU-LBPRGKRZSA-N 1 2 300.789 4.110 20 30 DIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC001206376223 1049153418 /nfs/dbraw/zinc/15/34/18/1049153418.db2.gz CXEKXOQUVKLRSU-LBPRGKRZSA-N 1 2 300.789 4.110 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1c(C)nn(-c2ccccc2)c1C ZINC001204449900 1049163739 /nfs/dbraw/zinc/16/37/39/1049163739.db2.gz XSQPAORDNQGGMS-UHFFFAOYSA-N 1 2 310.445 4.005 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1c(C)nn(-c2ccccc2)c1C ZINC001204449900 1049163747 /nfs/dbraw/zinc/16/37/47/1049163747.db2.gz XSQPAORDNQGGMS-UHFFFAOYSA-N 1 2 310.445 4.005 20 30 DIEDLO CCCCCCCC[C@@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981436 1049212505 /nfs/dbraw/zinc/21/25/05/1049212505.db2.gz DTCGZMBFORZZKY-CVEARBPZSA-N 1 2 305.466 4.221 20 30 DIEDLO CCCCCCCCC/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987425 1049213191 /nfs/dbraw/zinc/21/31/91/1049213191.db2.gz YNXWWFMEVDGPQH-SIFUEBAJSA-N 1 2 303.450 4.141 20 30 DIEDLO CCCCCCCCC/C=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857963015 1049213845 /nfs/dbraw/zinc/21/38/45/1049213845.db2.gz QAVLVUYFROPUGL-DVQDXYAYSA-N 1 2 317.477 4.011 20 30 DIEDLO COc1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001179962563 1049251788 /nfs/dbraw/zinc/25/17/88/1049251788.db2.gz PXGBEJQIFFJSAF-VQTJNVASSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001179962563 1049251797 /nfs/dbraw/zinc/25/17/97/1049251797.db2.gz PXGBEJQIFFJSAF-VQTJNVASSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001179962561 1049251862 /nfs/dbraw/zinc/25/18/62/1049251862.db2.gz PXGBEJQIFFJSAF-PMACEKPBSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cc(F)cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001179962561 1049251871 /nfs/dbraw/zinc/25/18/71/1049251871.db2.gz PXGBEJQIFFJSAF-PMACEKPBSA-N 1 2 324.399 4.106 20 30 DIEDLO COc1cc(C)ccc1Oc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC001204827576 1049277878 /nfs/dbraw/zinc/27/78/78/1049277878.db2.gz VCPSXRZEVIRKOT-MRXNPFEDSA-N 1 2 324.424 4.387 20 30 DIEDLO COc1cc(C)ccc1Oc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC001204827576 1049277888 /nfs/dbraw/zinc/27/78/88/1049277888.db2.gz VCPSXRZEVIRKOT-MRXNPFEDSA-N 1 2 324.424 4.387 20 30 DIEDLO CCC[N@H+](Cc1ccc(F)cc1F)Cc1ccc(C#N)cc1F ZINC001204852225 1049285883 /nfs/dbraw/zinc/28/58/83/1049285883.db2.gz YFVQJABDGHTAHS-UHFFFAOYSA-N 1 2 318.342 4.388 20 30 DIEDLO CCC[N@@H+](Cc1ccc(F)cc1F)Cc1ccc(C#N)cc1F ZINC001204852225 1049285896 /nfs/dbraw/zinc/28/58/96/1049285896.db2.gz YFVQJABDGHTAHS-UHFFFAOYSA-N 1 2 318.342 4.388 20 30 DIEDLO CCCCCCCOC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001194003852 1049297194 /nfs/dbraw/zinc/29/71/94/1049297194.db2.gz AXKWLEOEZJREPM-UHFFFAOYSA-N 1 2 315.417 4.450 20 30 DIEDLO C[N@H+](Cc1cc(Cl)cc(Br)c1)CC(C)(C)C#N ZINC001194600797 1049398222 /nfs/dbraw/zinc/39/82/22/1049398222.db2.gz YJOKZDBVWYAGFQ-UHFFFAOYSA-N 1 2 315.642 4.084 20 30 DIEDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1)CC(C)(C)C#N ZINC001194600797 1049398235 /nfs/dbraw/zinc/39/82/35/1049398235.db2.gz YJOKZDBVWYAGFQ-UHFFFAOYSA-N 1 2 315.642 4.084 20 30 DIEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000027209633 1049411702 /nfs/dbraw/zinc/41/17/02/1049411702.db2.gz NOSMQLNQVQQDIX-BEFAXECRSA-N 1 2 323.827 4.463 20 30 DIEDLO CCCCCCC[C@@H](C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001181132449 1049444735 /nfs/dbraw/zinc/44/47/35/1049444735.db2.gz CWUMQRBNBXQNHI-OAHLLOKOSA-N 1 2 305.466 4.221 20 30 DIEDLO C=CCC[N@@H+](C)Cc1c(F)c(Cl)ccc1Br ZINC001205417789 1049465809 /nfs/dbraw/zinc/46/58/09/1049465809.db2.gz KWSMWXHMGUWNJM-UHFFFAOYSA-N 1 2 306.606 4.250 20 30 DIEDLO C=CCC[N@H+](C)Cc1c(F)c(Cl)ccc1Br ZINC001205417789 1049465816 /nfs/dbraw/zinc/46/58/16/1049465816.db2.gz KWSMWXHMGUWNJM-UHFFFAOYSA-N 1 2 306.606 4.250 20 30 DIEDLO C=C(C)CN(CC)C(=O)[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182221179 1049592961 /nfs/dbraw/zinc/59/29/61/1049592961.db2.gz PBWJZTAWLCDLGB-QGZVFWFLSA-N 1 2 322.880 4.148 20 30 DIEDLO Cc1cc(C[N@H+](Cc2ccco2)Cc2cccnc2)ccc1C#N ZINC000488119447 1049603683 /nfs/dbraw/zinc/60/36/83/1049603683.db2.gz SXLWITLONDUXHC-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO Cc1cc(C[N@@H+](Cc2ccco2)Cc2cccnc2)ccc1C#N ZINC000488119447 1049603686 /nfs/dbraw/zinc/60/36/86/1049603686.db2.gz SXLWITLONDUXHC-UHFFFAOYSA-N 1 2 317.392 4.057 20 30 DIEDLO CSc1ccc(F)cc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001205984093 1049618843 /nfs/dbraw/zinc/61/88/43/1049618843.db2.gz QOHLGWSNYYGJJT-RGVLZGJSSA-N 1 2 313.401 4.308 20 30 DIEDLO C=C(C)[C@H]([NH2+]CC(=C)Br)c1ccc(F)c(F)c1 ZINC000775721376 1049662759 /nfs/dbraw/zinc/66/27/59/1049662759.db2.gz XIMDFKFEOSNQGV-ZDUSSCGKSA-N 1 2 302.162 4.080 20 30 DIEDLO N#Cc1cccc(C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC001196727921 1049683115 /nfs/dbraw/zinc/68/31/15/1049683115.db2.gz OSEZKEQPTCDDRE-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO N#Cc1cccc(C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC001196727921 1049683118 /nfs/dbraw/zinc/68/31/18/1049683118.db2.gz OSEZKEQPTCDDRE-UHFFFAOYSA-N 1 2 316.326 4.135 20 30 DIEDLO CCCCCCC/C=C/C[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC001208118697 1049975873 /nfs/dbraw/zinc/97/58/73/1049975873.db2.gz MTDCHKSKASOUSN-ZHACJKMWSA-N 1 2 304.482 4.134 20 30 DIEDLO CCCCCCC/C=C/C[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC001208118697 1049975875 /nfs/dbraw/zinc/97/58/75/1049975875.db2.gz MTDCHKSKASOUSN-ZHACJKMWSA-N 1 2 304.482 4.134 20 30 DIEDLO N#CCCCOc1cccc(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000588934376 1050012705 /nfs/dbraw/zinc/01/27/05/1050012705.db2.gz STXXAIGZDWJJPZ-UHFFFAOYSA-N 1 2 308.372 4.037 20 30 DIEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000589272821 1050025546 /nfs/dbraw/zinc/02/55/46/1050025546.db2.gz DTAFCKYIKMMNMQ-BDJLRTHQSA-N 1 2 322.239 4.478 20 30 DIEDLO C[N@H+](Cc1nc(C#N)cs1)C1c2ccccc2-c2ccccc21 ZINC000589503637 1050037766 /nfs/dbraw/zinc/03/77/66/1050037766.db2.gz XTSGEBRGBSBJGV-UHFFFAOYSA-N 1 2 317.417 4.217 20 30 DIEDLO C[N@@H+](Cc1nc(C#N)cs1)C1c2ccccc2-c2ccccc21 ZINC000589503637 1050037772 /nfs/dbraw/zinc/03/77/72/1050037772.db2.gz XTSGEBRGBSBJGV-UHFFFAOYSA-N 1 2 317.417 4.217 20 30 DIEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000589820498 1050060989 /nfs/dbraw/zinc/06/09/89/1050060989.db2.gz SUORVHHVNYUFIR-IBGZPJMESA-N 1 2 309.388 4.210 20 30 DIEDLO N#Cc1c(F)cccc1C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000589820498 1050060994 /nfs/dbraw/zinc/06/09/94/1050060994.db2.gz SUORVHHVNYUFIR-IBGZPJMESA-N 1 2 309.388 4.210 20 30 DIEDLO C[N@H+](CCC#N)Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC001209668453 1050075874 /nfs/dbraw/zinc/07/58/74/1050075874.db2.gz DYBLOLAKUNCDTM-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO C[N@@H+](CCC#N)Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC001209668453 1050075876 /nfs/dbraw/zinc/07/58/76/1050075876.db2.gz DYBLOLAKUNCDTM-UHFFFAOYSA-N 1 2 319.408 4.092 20 30 DIEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1 ZINC000045796769 1050140900 /nfs/dbraw/zinc/14/09/00/1050140900.db2.gz MZUAWCSEAWALGI-UHFFFAOYSA-N 1 2 323.371 4.064 20 30 DIEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1 ZINC000045796769 1050140904 /nfs/dbraw/zinc/14/09/04/1050140904.db2.gz MZUAWCSEAWALGI-UHFFFAOYSA-N 1 2 323.371 4.064 20 30 DIEDLO Cc1[nH+]cc(Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1N ZINC001210291371 1050192150 /nfs/dbraw/zinc/19/21/50/1050192150.db2.gz LGCXAXJWEFTDIA-UHFFFAOYSA-N 1 2 316.364 4.380 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cc3c(cccc3Cl)[nH]1)CC2 ZINC001136858718 1050199723 /nfs/dbraw/zinc/19/97/23/1050199723.db2.gz WXZRWYBKZWEEHE-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc3c(cccc3Cl)[nH]1)CC2 ZINC001136858718 1050199729 /nfs/dbraw/zinc/19/97/29/1050199729.db2.gz WXZRWYBKZWEEHE-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO N#CCC[N@H+](Cc1cn2ccccc2n1)C1CCCCCCC1 ZINC001136879647 1050216204 /nfs/dbraw/zinc/21/62/04/1050216204.db2.gz MWUZHTMEZCOAPX-UHFFFAOYSA-N 1 2 310.445 4.163 20 30 DIEDLO N#CCC[N@@H+](Cc1cn2ccccc2n1)C1CCCCCCC1 ZINC001136879647 1050216214 /nfs/dbraw/zinc/21/62/14/1050216214.db2.gz MWUZHTMEZCOAPX-UHFFFAOYSA-N 1 2 310.445 4.163 20 30 DIEDLO Cc1ccc2c(C[N@H+](CCC#N)Cc3ccccc3)c[nH]c2c1 ZINC001136967885 1050261354 /nfs/dbraw/zinc/26/13/54/1050261354.db2.gz XQFPIOSGJQWTJH-UHFFFAOYSA-N 1 2 303.409 4.392 20 30 DIEDLO Cc1ccc2c(C[N@@H+](CCC#N)Cc3ccccc3)c[nH]c2c1 ZINC001136967885 1050261364 /nfs/dbraw/zinc/26/13/64/1050261364.db2.gz XQFPIOSGJQWTJH-UHFFFAOYSA-N 1 2 303.409 4.392 20 30 DIEDLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592071462 1050267961 /nfs/dbraw/zinc/26/79/61/1050267961.db2.gz HERWCBOSGJHJEI-KDOFPFPSSA-N 1 2 309.413 4.082 20 30 DIEDLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592071462 1050267968 /nfs/dbraw/zinc/26/79/68/1050267968.db2.gz HERWCBOSGJHJEI-KDOFPFPSSA-N 1 2 309.413 4.082 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4c(cccc4Cl)C3=O)n2c1 ZINC000771860983 1050284986 /nfs/dbraw/zinc/28/49/86/1050284986.db2.gz UIHOIKDJMDXNOS-KPKJPENVSA-N 1 2 308.768 4.119 20 30 DIEDLO CCOc1c(F)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001143740747 1050348415 /nfs/dbraw/zinc/34/84/15/1050348415.db2.gz HDFBDKXKIZOMFE-LBPRGKRZSA-N 1 2 310.800 4.003 20 30 DIEDLO CCOc1c(F)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001143740747 1050348425 /nfs/dbraw/zinc/34/84/25/1050348425.db2.gz HDFBDKXKIZOMFE-LBPRGKRZSA-N 1 2 310.800 4.003 20 30 DIEDLO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC001171134049 1050462373 /nfs/dbraw/zinc/46/23/73/1050462373.db2.gz VACWMOYJYLGZSK-IBGZPJMESA-N 1 2 315.338 4.293 20 30 DIEDLO Fc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC001171134049 1050462376 /nfs/dbraw/zinc/46/23/76/1050462376.db2.gz VACWMOYJYLGZSK-IBGZPJMESA-N 1 2 315.338 4.293 20 30 DIEDLO C=C(Br)C[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000746654344 1050559446 /nfs/dbraw/zinc/55/94/46/1050559446.db2.gz ZXJHQDRDQXURQD-UHFFFAOYSA-N 1 2 322.168 4.436 20 30 DIEDLO C=C(Br)C[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000746654344 1050559462 /nfs/dbraw/zinc/55/94/62/1050559462.db2.gz ZXJHQDRDQXURQD-UHFFFAOYSA-N 1 2 322.168 4.436 20 30 DIEDLO N#CCC[N@@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccccc1 ZINC001144405982 1050567446 /nfs/dbraw/zinc/56/74/46/1050567446.db2.gz NYQYOGBVPILIOU-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO N#CCC[N@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccccc1 ZINC001144405982 1050567460 /nfs/dbraw/zinc/56/74/60/1050567460.db2.gz NYQYOGBVPILIOU-UHFFFAOYSA-N 1 2 324.815 4.132 20 30 DIEDLO C=CCC[N@H+](Cc1ccccc1)Cc1c(F)cc(O)cc1F ZINC001144554961 1050612628 /nfs/dbraw/zinc/61/26/28/1050612628.db2.gz OLQOPRGSAYOXFQ-UHFFFAOYSA-N 1 2 303.352 4.249 20 30 DIEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1c(F)cc(O)cc1F ZINC001144554961 1050612636 /nfs/dbraw/zinc/61/26/36/1050612636.db2.gz OLQOPRGSAYOXFQ-UHFFFAOYSA-N 1 2 303.352 4.249 20 30 DIEDLO CCCOc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000740764328 1050626063 /nfs/dbraw/zinc/62/60/63/1050626063.db2.gz RLPFUIVSUFCITQ-DHZHZOJOSA-N 1 2 306.365 4.019 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1F ZINC000595678341 1050657834 /nfs/dbraw/zinc/65/78/34/1050657834.db2.gz YOFYKXWDKAFERD-SFHVURJKSA-N 1 2 310.372 4.408 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1F ZINC000595678341 1050657840 /nfs/dbraw/zinc/65/78/40/1050657840.db2.gz YOFYKXWDKAFERD-SFHVURJKSA-N 1 2 310.372 4.408 20 30 DIEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000595844537 1050672777 /nfs/dbraw/zinc/67/27/77/1050672777.db2.gz UOZVDWWYANXQLT-JKSUJKDBSA-N 1 2 319.246 4.062 20 30 DIEDLO C[C@]1(C#N)CC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000595844537 1050672787 /nfs/dbraw/zinc/67/27/87/1050672787.db2.gz UOZVDWWYANXQLT-JKSUJKDBSA-N 1 2 319.246 4.062 20 30 DIEDLO Cc1cc(C)c(Nc2cc(Br)cc(F)c2C#N)c[nH+]1 ZINC001213521139 1050679038 /nfs/dbraw/zinc/67/90/38/1050679038.db2.gz VRVLGBQENUFKRG-UHFFFAOYSA-N 1 2 320.165 4.215 20 30 DIEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cccc(C#CC(C)(C)O)c1 ZINC001213501329 1050675035 /nfs/dbraw/zinc/67/50/35/1050675035.db2.gz SVBSVMRXOFFFCB-UHFFFAOYSA-N 1 2 306.409 4.133 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(C#N)cc1Cl ZINC000788430117 1050676467 /nfs/dbraw/zinc/67/64/67/1050676467.db2.gz SWQFTFKVYOALHB-UHFFFAOYSA-N 1 2 320.783 4.018 20 30 DIEDLO Cc1cc(C)c(Nc2ccc(OC(F)(F)F)cc2C#N)c[nH+]1 ZINC001213521008 1050679725 /nfs/dbraw/zinc/67/97/25/1050679725.db2.gz OJXHBURBPYBMCF-UHFFFAOYSA-N 1 2 307.275 4.212 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3c[nH]c4cc(F)ccc43)c[nH+]c12 ZINC000741467299 1050682974 /nfs/dbraw/zinc/68/29/74/1050682974.db2.gz MJIZDVFKQCRENB-ALCCZGGFSA-N 1 2 319.339 4.159 20 30 DIEDLO Cc1cccn2c(/C=C/C(=O)c3cc(C)c(C)cc3C)c[nH+]c12 ZINC000741470695 1050684343 /nfs/dbraw/zinc/68/43/43/1050684343.db2.gz GWONFLGEIWYHLV-BQYQJAHWSA-N 1 2 304.393 4.464 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3cc(C)c(C)cc3C)c[nH+]c12 ZINC000741470696 1050684919 /nfs/dbraw/zinc/68/49/19/1050684919.db2.gz GWONFLGEIWYHLV-FPLPWBNLSA-N 1 2 304.393 4.464 20 30 DIEDLO N#CC[C@@H]1CCCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000596324687 1050707138 /nfs/dbraw/zinc/70/71/38/1050707138.db2.gz ARQKHVMMTAWZQU-LBPRGKRZSA-N 1 2 319.330 4.384 20 30 DIEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)nc1 ZINC000846808105 1050761159 /nfs/dbraw/zinc/76/11/59/1050761159.db2.gz VQYBMFZVDYGKRX-UHFFFAOYSA-N 1 2 323.440 4.032 20 30 DIEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)nc1 ZINC000846808105 1050761173 /nfs/dbraw/zinc/76/11/73/1050761173.db2.gz VQYBMFZVDYGKRX-UHFFFAOYSA-N 1 2 323.440 4.032 20 30 DIEDLO O=C1c2cc(Cl)ccc2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000761206157 1050781338 /nfs/dbraw/zinc/78/13/38/1050781338.db2.gz OPPCQXMKRXNTBU-UKTHLTGXSA-N 1 2 308.768 4.200 20 30 DIEDLO CN(c1ccc(Nc2ccc(O)c(C#N)c2)c[nH+]1)C1CCCCC1 ZINC001212615246 1050810905 /nfs/dbraw/zinc/81/09/05/1050810905.db2.gz PHZIORPQGIJLPZ-UHFFFAOYSA-N 1 2 322.412 4.171 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000597232440 1050826644 /nfs/dbraw/zinc/82/66/44/1050826644.db2.gz UIYJEVBTTQCWNK-FQEVSTJZSA-N 1 2 324.399 4.140 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000597232440 1050826660 /nfs/dbraw/zinc/82/66/60/1050826660.db2.gz UIYJEVBTTQCWNK-FQEVSTJZSA-N 1 2 324.399 4.140 20 30 DIEDLO C[C@@]1(C#N)CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000597228899 1050827350 /nfs/dbraw/zinc/82/73/50/1050827350.db2.gz IBWAMCXMDZUFLF-INIZCTEOSA-N 1 2 323.223 4.005 20 30 DIEDLO C[C@@]1(C#N)CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000597228899 1050827363 /nfs/dbraw/zinc/82/73/63/1050827363.db2.gz IBWAMCXMDZUFLF-INIZCTEOSA-N 1 2 323.223 4.005 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231404 1050827970 /nfs/dbraw/zinc/82/79/70/1050827970.db2.gz NKJZHBQGLDWWGV-HXUWFJFHSA-N 1 2 306.409 4.098 20 30 DIEDLO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231404 1050827981 /nfs/dbraw/zinc/82/79/81/1050827981.db2.gz NKJZHBQGLDWWGV-HXUWFJFHSA-N 1 2 306.409 4.098 20 30 DIEDLO Cc1cccn2c(/C=C3/Cc4cc(Cl)ccc4C3=O)c[nH+]c12 ZINC000742437890 1050856301 /nfs/dbraw/zinc/85/63/01/1050856301.db2.gz SEJFBIQIAFPQPF-LCYFTJDESA-N 1 2 308.768 4.119 20 30 DIEDLO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000746888133 1050936513 /nfs/dbraw/zinc/93/65/13/1050936513.db2.gz NTSKVOAJPKBSRW-IBGZPJMESA-N 1 2 315.338 4.293 20 30 DIEDLO Fc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000746888133 1050936524 /nfs/dbraw/zinc/93/65/24/1050936524.db2.gz NTSKVOAJPKBSRW-IBGZPJMESA-N 1 2 315.338 4.293 20 30 DIEDLO CCc1cnc(CC/[NH+]=C/c2c(O)ccc3ccccc32)s1 ZINC000743043865 1050978786 /nfs/dbraw/zinc/97/87/86/1050978786.db2.gz BLGHPEHXCRUCHB-XDHOZWIPSA-N 1 2 310.422 4.226 20 30 DIEDLO N#Cc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000746988566 1051035223 /nfs/dbraw/zinc/03/52/23/1051035223.db2.gz SPZBRUANSVPRHQ-UHFFFAOYSA-N 1 2 322.368 4.200 20 30 DIEDLO C=CCOc1ccccc1[C@@H](C)Nc1cccc(C(=[NH2+])OC)c1 ZINC001171374194 1051038393 /nfs/dbraw/zinc/03/83/93/1051038393.db2.gz OPVJULXFPDOQNF-CQSZACIVSA-N 1 2 310.397 4.396 20 30 DIEDLO N#CC1(c2cc[nH+]c(NCc3cc4ccccc4cc3O)c2)CC1 ZINC001171402747 1051090516 /nfs/dbraw/zinc/09/05/16/1051090516.db2.gz QWICBGAEFUTHJT-UHFFFAOYSA-N 1 2 315.376 4.108 20 30 DIEDLO CC(C)C[C@](C)(C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375643 1051200341 /nfs/dbraw/zinc/20/03/41/1051200341.db2.gz BWOVLDROIAJXPA-IOJLRTSASA-N 1 2 309.457 4.309 20 30 DIEDLO C[C@H](CCCC#N)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001172506192 1051425315 /nfs/dbraw/zinc/42/53/15/1051425315.db2.gz PUJYUKGKKXRFIM-GDBMZVCRSA-N 1 2 324.390 4.408 20 30 DIEDLO C[C@H](CCCC#N)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001172506192 1051425320 /nfs/dbraw/zinc/42/53/20/1051425320.db2.gz PUJYUKGKKXRFIM-GDBMZVCRSA-N 1 2 324.390 4.408 20 30 DIEDLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCC1(C#N)CCCCC1 ZINC001168873621 1051461705 /nfs/dbraw/zinc/46/17/05/1051461705.db2.gz QIKMRJOXKYHGAM-AWEZNQCLSA-N 1 2 305.853 4.382 20 30 DIEDLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001168873621 1051461710 /nfs/dbraw/zinc/46/17/10/1051461710.db2.gz QIKMRJOXKYHGAM-AWEZNQCLSA-N 1 2 305.853 4.382 20 30 DIEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001172577042 1051462613 /nfs/dbraw/zinc/46/26/13/1051462613.db2.gz HCZOOPCKHOHKBJ-NEPJUHHUSA-N 1 2 312.791 4.175 20 30 DIEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC[C@@H](C#N)C1 ZINC001172577042 1051462620 /nfs/dbraw/zinc/46/26/20/1051462620.db2.gz HCZOOPCKHOHKBJ-NEPJUHHUSA-N 1 2 312.791 4.175 20 30 DIEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001172579190 1051463193 /nfs/dbraw/zinc/46/31/93/1051463193.db2.gz WJNKOLLZNKNARB-ZBEGNZNMSA-N 1 2 312.791 4.175 20 30 DIEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001172579190 1051463198 /nfs/dbraw/zinc/46/31/98/1051463198.db2.gz WJNKOLLZNKNARB-ZBEGNZNMSA-N 1 2 312.791 4.175 20 30 DIEDLO Cc1cccn2c(/C=C3\C(=O)c4cccc(C)c4[C@H]3C)c[nH+]c12 ZINC000766696614 1051612372 /nfs/dbraw/zinc/61/23/72/1051612372.db2.gz VWDHJBCXSKOTCC-XGHPXPSOSA-N 1 2 302.377 4.335 20 30 DIEDLO CC(C)C[C@](C)(C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173202864 1051631630 /nfs/dbraw/zinc/63/16/30/1051631630.db2.gz YAYWIEOVZNPWLL-NKELODKYSA-N 1 2 300.446 4.295 20 30 DIEDLO N#Cc1ccccc1C[NH+](Cc1ccccc1C#N)CC1CCC1 ZINC000031474181 1051647078 /nfs/dbraw/zinc/64/70/78/1051647078.db2.gz XHYIZAXESOCJNM-UHFFFAOYSA-N 1 2 315.420 4.232 20 30 DIEDLO CCCCCCCCC/C=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804331800 1051653903 /nfs/dbraw/zinc/65/39/03/1051653903.db2.gz DDCGGZUGEDQVBX-DVQDXYAYSA-N 1 2 317.477 4.011 20 30 DIEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000185350796 1051762843 /nfs/dbraw/zinc/76/28/43/1051762843.db2.gz RFWPAKRCVXGWQD-HNNXBMFYSA-N 1 2 323.440 4.427 20 30 DIEDLO N#Cc1cccc(N[NH+]=Cc2ccc(N3CCCCC3)s2)c1 ZINC000767335475 1051787246 /nfs/dbraw/zinc/78/72/46/1051787246.db2.gz FSDSWQANYRQEAI-UHFFFAOYSA-N 1 2 310.426 4.056 20 30 DIEDLO CC(C)[Si](C#C[NH2+]Cc1nccc(Cl)n1)(C(C)C)C(C)C ZINC001170547094 1051985288 /nfs/dbraw/zinc/98/52/88/1051985288.db2.gz YPNMQICZBPMOFX-UHFFFAOYSA-N 1 2 323.944 4.399 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000769164905 1052004631 /nfs/dbraw/zinc/00/46/31/1052004631.db2.gz VQNFVHNDVYDPRK-SIFCLUCFSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000769164905 1052004640 /nfs/dbraw/zinc/00/46/40/1052004640.db2.gz VQNFVHNDVYDPRK-SIFCLUCFSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000769542859 1052079320 /nfs/dbraw/zinc/07/93/20/1052079320.db2.gz CPANQAOTIGKUJT-NSHDSACASA-N 1 2 314.376 4.423 20 30 DIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000769542859 1052079330 /nfs/dbraw/zinc/07/93/30/1052079330.db2.gz CPANQAOTIGKUJT-NSHDSACASA-N 1 2 314.376 4.423 20 30 DIEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cccc3[nH+]ccn31)CO2 ZINC000769606070 1052086285 /nfs/dbraw/zinc/08/62/85/1052086285.db2.gz AYTWKUGXAVESEJ-XNTDXEJSSA-N 1 2 318.376 4.116 20 30 DIEDLO CCCOc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000769609087 1052086548 /nfs/dbraw/zinc/08/65/48/1052086548.db2.gz WLXINXZSXZBQLG-DHZHZOJOSA-N 1 2 306.365 4.019 20 30 DIEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cccc3[nH+]ccn31)CO2 ZINC000769606068 1052087004 /nfs/dbraw/zinc/08/70/04/1052087004.db2.gz AYTWKUGXAVESEJ-GDNBJRDFSA-N 1 2 318.376 4.116 20 30 DIEDLO O=C1c2cc(Cl)ccc2OCC/C1=C\c1cccc2[nH+]ccn21 ZINC000769610516 1052087029 /nfs/dbraw/zinc/08/70/29/1052087029.db2.gz RXLTZKFSYCHIBR-ZRDIBKRKSA-N 1 2 324.767 4.037 20 30 DIEDLO CCCOc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000769609090 1052087296 /nfs/dbraw/zinc/08/72/96/1052087296.db2.gz WLXINXZSXZBQLG-FLIBITNWSA-N 1 2 306.365 4.019 20 30 DIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc2c(c1)CCCC2 ZINC000769609104 1052087599 /nfs/dbraw/zinc/08/75/99/1052087599.db2.gz WSVJUEBBTIVELI-ZHACJKMWSA-N 1 2 302.377 4.109 20 30 DIEDLO Oc1ccccc1/C=[NH+]/CC1(CCOCc2ccccc2)CC1 ZINC000769717857 1052097644 /nfs/dbraw/zinc/09/76/44/1052097644.db2.gz DOEYTGPHDSMOEQ-KGENOOAVSA-N 1 2 309.409 4.198 20 30 DIEDLO C=CCCCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000769989156 1052137434 /nfs/dbraw/zinc/13/74/34/1052137434.db2.gz PWNPSFZWPONGFT-SNVBAGLBSA-N 1 2 316.214 4.301 20 30 DIEDLO COc1ccc(C#N)c(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1 ZINC001174383808 1052142761 /nfs/dbraw/zinc/14/27/61/1052142761.db2.gz UWESJIIBMSIBBO-UHFFFAOYSA-N 1 2 306.369 4.241 20 30 DIEDLO C#CCOc1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)cc1 ZINC001174384494 1052144853 /nfs/dbraw/zinc/14/48/53/1052144853.db2.gz XVOUWWPWLABNEC-UHFFFAOYSA-N 1 2 305.381 4.373 20 30 DIEDLO Cc1cccc2[nH+]cc(/C=C3/C(=O)c4cccc5c4[C@@H]3CCC5)n21 ZINC000763287329 1052556677 /nfs/dbraw/zinc/55/66/77/1052556677.db2.gz BNHJFCPDSMGECV-YCPFAOKUSA-N 1 2 314.388 4.343 20 30 DIEDLO COc1cccc(/C=[NH+]/CCc2csc3ccccc23)c1O ZINC000915981924 1052573911 /nfs/dbraw/zinc/57/39/11/1052573911.db2.gz ZKTJXTPRCNATDO-YBFXNURJSA-N 1 2 311.406 4.277 20 30 DIEDLO C#CC[N@H+](Cc1nc2ccccc2s1)[C@H]1CCc2ccccc21 ZINC000917119815 1052703800 /nfs/dbraw/zinc/70/38/00/1052703800.db2.gz XKSZPVJSPVMFBA-SFHVURJKSA-N 1 2 318.445 4.419 20 30 DIEDLO C#CC[N@@H+](Cc1nc2ccccc2s1)[C@H]1CCc2ccccc21 ZINC000917119815 1052703805 /nfs/dbraw/zinc/70/38/05/1052703805.db2.gz XKSZPVJSPVMFBA-SFHVURJKSA-N 1 2 318.445 4.419 20 30 DIEDLO Clc1cccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)c1 ZINC000917563365 1052736907 /nfs/dbraw/zinc/73/69/07/1052736907.db2.gz PKHBXGAYRVHNPR-UHFFFAOYSA-N 1 2 303.793 4.369 20 30 DIEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000919647907 1052880070 /nfs/dbraw/zinc/88/00/70/1052880070.db2.gz JISTVIIRUQIDPE-ZDUSSCGKSA-N 1 2 300.627 4.386 20 30 DIEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000919647907 1052880073 /nfs/dbraw/zinc/88/00/73/1052880073.db2.gz JISTVIIRUQIDPE-ZDUSSCGKSA-N 1 2 300.627 4.386 20 30 DIEDLO CCCCCCCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921152717 1052963241 /nfs/dbraw/zinc/96/32/41/1052963241.db2.gz CTPCLZRJRDYUMN-UHFFFAOYSA-N 1 2 313.445 4.239 20 30 DIEDLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1cccc(C#N)c1 ZINC000179917101 1053035326 /nfs/dbraw/zinc/03/53/26/1053035326.db2.gz MKCDCGUYAKRSFR-OAHLLOKOSA-N 1 2 306.413 4.117 20 30 DIEDLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(C#N)cc1 ZINC000179917921 1053035525 /nfs/dbraw/zinc/03/55/25/1053035525.db2.gz ILMFZKLFVIWORK-HNNXBMFYSA-N 1 2 306.413 4.117 20 30 DIEDLO C=C(CC)C[N@@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001559678359 1053140518 /nfs/dbraw/zinc/14/05/18/1053140518.db2.gz VRAXLBBRBNWNLA-MRXNPFEDSA-N 1 2 309.837 4.232 20 30 DIEDLO C=C(CC)C[N@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001559678359 1053140527 /nfs/dbraw/zinc/14/05/27/1053140527.db2.gz VRAXLBBRBNWNLA-MRXNPFEDSA-N 1 2 309.837 4.232 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(Cl)c(Cl)cc1O ZINC001236795526 1053259081 /nfs/dbraw/zinc/25/90/81/1053259081.db2.gz FXEMDCOMEPFPAC-UHFFFAOYSA-N 1 2 301.217 4.215 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(Cl)c(Cl)cc1O ZINC001236795526 1053259085 /nfs/dbraw/zinc/25/90/85/1053259085.db2.gz FXEMDCOMEPFPAC-UHFFFAOYSA-N 1 2 301.217 4.215 20 30 DIEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181745535 1053286293 /nfs/dbraw/zinc/28/62/93/1053286293.db2.gz UFMFZRMHARYUJR-NSHDSACASA-N 1 2 318.779 4.210 20 30 DIEDLO CC(C)(C)n1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1F ZINC001320561173 1053343063 /nfs/dbraw/zinc/34/30/63/1053343063.db2.gz FZVQNYSVJPYMLT-UHFFFAOYSA-N 1 2 322.387 4.414 20 30 DIEDLO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC001229954446 1053438964 /nfs/dbraw/zinc/43/89/64/1053438964.db2.gz OXYMMRJFRHXTFY-IEBWSBKVSA-N 1 2 312.413 4.153 20 30 DIEDLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C#N)c1 ZINC000182909170 1053543522 /nfs/dbraw/zinc/54/35/22/1053543522.db2.gz RVSMHHRAZRRRGT-CYBMUJFWSA-N 1 2 306.344 4.056 20 30 DIEDLO CC[C@H](C#Cc1ccccc1)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231084227 1053672389 /nfs/dbraw/zinc/67/23/89/1053672389.db2.gz HVUSKDVWZLOHJQ-GOSISDBHSA-N 1 2 302.377 4.286 20 30 DIEDLO Nc1ccc(C=[NH+]Nc2ccccc2C(F)(F)F)c(Cl)c1 ZINC001324798690 1053680643 /nfs/dbraw/zinc/68/06/43/1053680643.db2.gz SKRWUUXGGMJBIY-UHFFFAOYSA-N 1 2 313.710 4.387 20 30 DIEDLO C=C[C@@H](CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000154907090 1053751997 /nfs/dbraw/zinc/75/19/97/1053751997.db2.gz XQTPWUGJYJGXRY-INIZCTEOSA-N 1 2 317.392 4.171 20 30 DIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cncc(Cl)c1 ZINC000621294860 1053941842 /nfs/dbraw/zinc/94/18/42/1053941842.db2.gz PWDOIZYSXKLZBZ-UHFFFAOYSA-N 1 2 318.852 4.091 20 30 DIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cncc(Cl)c1 ZINC000621294860 1053941857 /nfs/dbraw/zinc/94/18/57/1053941857.db2.gz PWDOIZYSXKLZBZ-UHFFFAOYSA-N 1 2 318.852 4.091 20 30 DIEDLO Cc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1OCc1ccccc1 ZINC001232401729 1054038855 /nfs/dbraw/zinc/03/88/55/1054038855.db2.gz NVJAQXOLLGJQKD-OAQYLSRUSA-N 1 2 320.436 4.310 20 30 DIEDLO Cc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1OCc1ccccc1 ZINC001232401729 1054038873 /nfs/dbraw/zinc/03/88/73/1054038873.db2.gz NVJAQXOLLGJQKD-OAQYLSRUSA-N 1 2 320.436 4.310 20 30 DIEDLO C[N@H+](Cc1cc(C#N)ccc1O)Cc1cccc2ccccc21 ZINC001232676988 1054098712 /nfs/dbraw/zinc/09/87/12/1054098712.db2.gz WFCSWSTTWCIJND-UHFFFAOYSA-N 1 2 302.377 4.049 20 30 DIEDLO C[N@@H+](Cc1cc(C#N)ccc1O)Cc1cccc2ccccc21 ZINC001232676988 1054098723 /nfs/dbraw/zinc/09/87/23/1054098723.db2.gz WFCSWSTTWCIJND-UHFFFAOYSA-N 1 2 302.377 4.049 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)s1 ZINC001232843889 1054129912 /nfs/dbraw/zinc/12/99/12/1054129912.db2.gz GQNWYCLEMNNGAG-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)s1 ZINC001232843889 1054129921 /nfs/dbraw/zinc/12/99/21/1054129921.db2.gz GQNWYCLEMNNGAG-MRXNPFEDSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2c(F)cccc2F)s1 ZINC001232846564 1054130580 /nfs/dbraw/zinc/13/05/80/1054130580.db2.gz JSIPSEDAMSKCJY-HNNXBMFYSA-N 1 2 304.365 4.235 20 30 DIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2c(F)cccc2F)s1 ZINC001232846564 1054130585 /nfs/dbraw/zinc/13/05/85/1054130585.db2.gz JSIPSEDAMSKCJY-HNNXBMFYSA-N 1 2 304.365 4.235 20 30 DIEDLO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(O)c1F ZINC001232934475 1054149261 /nfs/dbraw/zinc/14/92/61/1054149261.db2.gz GMOUCQBRNCXUFF-UHFFFAOYSA-N 1 2 303.352 4.249 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001233212009 1054203004 /nfs/dbraw/zinc/20/30/04/1054203004.db2.gz XAYUAEGTFZTOSQ-MRXNPFEDSA-N 1 2 310.372 4.354 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001233212009 1054203020 /nfs/dbraw/zinc/20/30/20/1054203020.db2.gz XAYUAEGTFZTOSQ-MRXNPFEDSA-N 1 2 310.372 4.354 20 30 DIEDLO Cc1cc(C[N@H+](C)CCC#N)cc(C)c1OCc1ccccc1 ZINC001233328332 1054233262 /nfs/dbraw/zinc/23/32/62/1054233262.db2.gz DIEXADASQRRVTO-UHFFFAOYSA-N 1 2 308.425 4.228 20 30 DIEDLO Cc1cc(C[N@@H+](C)CCC#N)cc(C)c1OCc1ccccc1 ZINC001233328332 1054233275 /nfs/dbraw/zinc/23/32/75/1054233275.db2.gz DIEXADASQRRVTO-UHFFFAOYSA-N 1 2 308.425 4.228 20 30 DIEDLO C[N@H+](Cc1ccc(C#N)cc1O)Cc1cccc(Cl)c1Cl ZINC001233386137 1054256364 /nfs/dbraw/zinc/25/63/64/1054256364.db2.gz HIRFIUPZYHHMKQ-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO C[N@@H+](Cc1ccc(C#N)cc1O)Cc1cccc(Cl)c1Cl ZINC001233386137 1054256369 /nfs/dbraw/zinc/25/63/69/1054256369.db2.gz HIRFIUPZYHHMKQ-UHFFFAOYSA-N 1 2 321.207 4.203 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1csc(Br)c1 ZINC001233414345 1054268176 /nfs/dbraw/zinc/26/81/76/1054268176.db2.gz BCZOBBBYVXHYIW-UHFFFAOYSA-N 1 2 301.253 4.026 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1csc(Br)c1 ZINC001233414345 1054268185 /nfs/dbraw/zinc/26/81/85/1054268185.db2.gz BCZOBBBYVXHYIW-UHFFFAOYSA-N 1 2 301.253 4.026 20 30 DIEDLO N#Cc1ccc(C2([NH2+]Cc3cccc(Cl)c3O)CCC2)cc1 ZINC000848926116 1054302125 /nfs/dbraw/zinc/30/21/25/1054302125.db2.gz QYYLDVTUMKLFDT-UHFFFAOYSA-N 1 2 312.800 4.086 20 30 DIEDLO Cc1ccc(-c2cnc(C[N@@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000075596282 1054309850 /nfs/dbraw/zinc/30/98/50/1054309850.db2.gz WIHHVKFFMHXGBN-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO Cc1ccc(-c2cnc(C[N@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000075596282 1054309858 /nfs/dbraw/zinc/30/98/58/1054309858.db2.gz WIHHVKFFMHXGBN-UHFFFAOYSA-N 1 2 317.392 4.154 20 30 DIEDLO CCCCCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001441067855 1054381062 /nfs/dbraw/zinc/38/10/62/1054381062.db2.gz LYEPTEOEILTKDW-UHFFFAOYSA-N 1 2 313.445 4.353 20 30 DIEDLO C=CC1(CC(=O)NCc2ccccc2-n2cc[nH+]c2)CCCCC1 ZINC001446986469 1054552310 /nfs/dbraw/zinc/55/23/10/1054552310.db2.gz JJMYTYJGUUDNHC-UHFFFAOYSA-N 1 2 323.440 4.015 20 30 DIEDLO CCOC(=[NH2+])c1ccc(O[C@H](C#Cc2ccccc2)CC)cc1 ZINC001234589852 1054552457 /nfs/dbraw/zinc/55/24/57/1054552457.db2.gz NPOZPTHAODMXAQ-SFHVURJKSA-N 1 2 307.393 4.258 20 30 DIEDLO C=CC[N@H+](Cc1cc(F)cc(Br)c1O)C(C)(C)C ZINC001235304794 1054698258 /nfs/dbraw/zinc/69/82/58/1054698258.db2.gz BJZAAQHJWRZZKM-UHFFFAOYSA-N 1 2 316.214 4.080 20 30 DIEDLO C=CC[N@@H+](Cc1cc(F)cc(Br)c1O)C(C)(C)C ZINC001235304794 1054698262 /nfs/dbraw/zinc/69/82/62/1054698262.db2.gz BJZAAQHJWRZZKM-UHFFFAOYSA-N 1 2 316.214 4.080 20 30 DIEDLO C=CCC[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccccc1 ZINC000180044809 1054728201 /nfs/dbraw/zinc/72/82/01/1054728201.db2.gz INJLIIOZKZTSTN-IBGZPJMESA-N 1 2 318.424 4.064 20 30 DIEDLO N#CCC1CC[NH+](Cc2c(F)cc(Cl)cc2Cl)CC1 ZINC001235744710 1054796164 /nfs/dbraw/zinc/79/61/64/1054796164.db2.gz COCRIPLDQKLRMN-UHFFFAOYSA-N 1 2 301.192 4.258 20 30 DIEDLO Cc1cccn2c(/C=C\C(=O)c3cc4c(s3)CCC4)c[nH+]c12 ZINC000764442931 1055187415 /nfs/dbraw/zinc/18/74/15/1055187415.db2.gz SRLUVVJEHYEAEN-FPLPWBNLSA-N 1 2 308.406 4.089 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1ccccc1NC(=O)C(C)(C)C ZINC001237412392 1055450465 /nfs/dbraw/zinc/45/04/65/1055450465.db2.gz ZKSYLKFUQVVMCG-UHFFFAOYSA-N 1 2 315.461 4.187 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1ccccc1NC(=O)C(C)(C)C ZINC001237412392 1055450476 /nfs/dbraw/zinc/45/04/76/1055450476.db2.gz ZKSYLKFUQVVMCG-UHFFFAOYSA-N 1 2 315.461 4.187 20 30 DIEDLO N#Cc1cc(C[N@H+]2CC=C(c3ccccc3)CC2)c(F)cc1F ZINC001237530425 1055469341 /nfs/dbraw/zinc/46/93/41/1055469341.db2.gz OKQRVKUULFPIBS-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO N#Cc1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)c(F)cc1F ZINC001237530425 1055469346 /nfs/dbraw/zinc/46/93/46/1055469346.db2.gz OKQRVKUULFPIBS-UHFFFAOYSA-N 1 2 310.347 4.126 20 30 DIEDLO CC1(C)C[N@H+](Cc2cc(C#N)c(F)cc2F)Cc2ccccc21 ZINC001237530495 1055470312 /nfs/dbraw/zinc/47/03/12/1055470312.db2.gz OVWHBDKCUYVUEX-UHFFFAOYSA-N 1 2 312.363 4.130 20 30 DIEDLO CC1(C)C[N@@H+](Cc2cc(C#N)c(F)cc2F)Cc2ccccc21 ZINC001237530495 1055470321 /nfs/dbraw/zinc/47/03/21/1055470321.db2.gz OVWHBDKCUYVUEX-UHFFFAOYSA-N 1 2 312.363 4.130 20 30 DIEDLO Cc1cc(Cl)cc(C[N@H+](CCC#N)Cc2ccccc2)c1O ZINC001237686632 1055501696 /nfs/dbraw/zinc/50/16/96/1055501696.db2.gz VPVJSKZPVIIMFD-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO Cc1cc(Cl)cc(C[N@@H+](CCC#N)Cc2ccccc2)c1O ZINC001237686632 1055501703 /nfs/dbraw/zinc/50/17/03/1055501703.db2.gz VPVJSKZPVIIMFD-UHFFFAOYSA-N 1 2 314.816 4.270 20 30 DIEDLO N#Cc1cc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)cs1 ZINC001620885674 1055511934 /nfs/dbraw/zinc/51/19/34/1055511934.db2.gz IVXTUDQYYAOLAG-GOSISDBHSA-N 1 2 323.396 4.033 20 30 DIEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(Cl)c(F)c3)n2c1 ZINC000765612072 1055512294 /nfs/dbraw/zinc/51/22/94/1055512294.db2.gz DFUCIZMTQIKWGU-GQCTYLIASA-N 1 2 314.747 4.331 20 30 DIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(F)cc(C(F)(F)F)cc2F)C1 ZINC001237709697 1055513000 /nfs/dbraw/zinc/51/30/00/1055513000.db2.gz XIVGMEAKVQJHIO-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(F)cc(C(F)(F)F)cc2F)C1 ZINC001237709697 1055513010 /nfs/dbraw/zinc/51/30/10/1055513010.db2.gz XIVGMEAKVQJHIO-JTQLQIEISA-N 1 2 318.289 4.109 20 30 DIEDLO CCCC[N@H+](CCC#N)Cc1cc(OC)ccc1C(F)(F)F ZINC001238051047 1055594081 /nfs/dbraw/zinc/59/40/81/1055594081.db2.gz CSLIHBRCIZLKEG-UHFFFAOYSA-N 1 2 314.351 4.230 20 30 DIEDLO CCCC[N@@H+](CCC#N)Cc1cc(OC)ccc1C(F)(F)F ZINC001238051047 1055594094 /nfs/dbraw/zinc/59/40/94/1055594094.db2.gz CSLIHBRCIZLKEG-UHFFFAOYSA-N 1 2 314.351 4.230 20 30 DIEDLO C=CC[N@@H+](C)Cc1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001238105782 1055608890 /nfs/dbraw/zinc/60/88/90/1055608890.db2.gz PUUCPXDGWZPGQN-UHFFFAOYSA-N 1 2 303.409 4.157 20 30 DIEDLO C=CC[N@H+](C)Cc1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001238105782 1055608891 /nfs/dbraw/zinc/60/88/91/1055608891.db2.gz PUUCPXDGWZPGQN-UHFFFAOYSA-N 1 2 303.409 4.157 20 30 DIEDLO C=CCCCC[N@@H+](C)Cc1c(Cl)cncc1Br ZINC001238400643 1055651824 /nfs/dbraw/zinc/65/18/24/1055651824.db2.gz QPKGCJUYPIBYDV-UHFFFAOYSA-N 1 2 317.658 4.286 20 30 DIEDLO C=CCCCC[N@H+](C)Cc1c(Cl)cncc1Br ZINC001238400643 1055651830 /nfs/dbraw/zinc/65/18/30/1055651830.db2.gz QPKGCJUYPIBYDV-UHFFFAOYSA-N 1 2 317.658 4.286 20 30 DIEDLO CC(C)Oc1cccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1F ZINC001238423291 1055655624 /nfs/dbraw/zinc/65/56/24/1055655624.db2.gz IEHLNUZBQAIGAR-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO CC(C)Oc1cccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1F ZINC001238423291 1055655628 /nfs/dbraw/zinc/65/56/28/1055655628.db2.gz IEHLNUZBQAIGAR-UHFFFAOYSA-N 1 2 324.399 4.043 20 30 DIEDLO N#C[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001238589749 1055691571 /nfs/dbraw/zinc/69/15/71/1055691571.db2.gz WPLACFGCLJCODN-CQSZACIVSA-N 1 2 312.363 4.367 20 30 DIEDLO N#C[C@H]1CCC[N@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001238589749 1055691576 /nfs/dbraw/zinc/69/15/76/1055691576.db2.gz WPLACFGCLJCODN-CQSZACIVSA-N 1 2 312.363 4.367 20 30 DIEDLO N#CC1CC[NH+](Cc2cc(-c3ccccc3)ncc2Cl)CC1 ZINC001238624952 1055704680 /nfs/dbraw/zinc/70/46/80/1055704680.db2.gz PFEGGIVBCLBIMT-UHFFFAOYSA-N 1 2 311.816 4.138 20 30 DIEDLO CCc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)ccc1C#N ZINC001238772935 1055746429 /nfs/dbraw/zinc/74/64/29/1055746429.db2.gz SFNMPRSLHHSKRZ-HRAATJIYSA-N 1 2 320.436 4.083 20 30 DIEDLO CCc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)ccc1C#N ZINC001238772935 1055746435 /nfs/dbraw/zinc/74/64/35/1055746435.db2.gz SFNMPRSLHHSKRZ-HRAATJIYSA-N 1 2 320.436 4.083 20 30 DIEDLO Cc1cn2c(cccc2-c2ccc(C(F)(F)F)cc2C#N)[nH+]1 ZINC001238842926 1055764085 /nfs/dbraw/zinc/76/40/85/1055764085.db2.gz HWWGQJWVZZEMTN-UHFFFAOYSA-N 1 2 301.271 4.200 20 30 DIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(OC(C)C)ccn1 ZINC001615743760 1055933157 /nfs/dbraw/zinc/93/31/57/1055933157.db2.gz GLGPNFOEIFEJEV-UHFFFAOYSA-N 1 2 303.450 4.021 20 30 DIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(OC(C)C)ccn1 ZINC001615743760 1055933171 /nfs/dbraw/zinc/93/31/71/1055933171.db2.gz GLGPNFOEIFEJEV-UHFFFAOYSA-N 1 2 303.450 4.021 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168615951 1056155098 /nfs/dbraw/zinc/15/50/98/1056155098.db2.gz QBKFSGSQSWOPCO-VQIMIIECSA-N 1 2 315.388 4.202 20 30 DIEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168615946 1056155419 /nfs/dbraw/zinc/15/54/19/1056155419.db2.gz QBKFSGSQSWOPCO-LPHOPBHVSA-N 1 2 315.388 4.202 20 30 DIEDLO Cc1cc(Nc2ccc(C#N)c(C)n2)c[nH+]c1N1CCCC[C@H]1C ZINC001612184078 1056251185 /nfs/dbraw/zinc/25/11/85/1056251185.db2.gz LLTLCOVCGDEKET-CQSZACIVSA-N 1 2 321.428 4.088 20 30 DIEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc2ccc(F)c(F)c2n1 ZINC001621144350 1056319586 /nfs/dbraw/zinc/31/95/86/1056319586.db2.gz BUDUZQMKUSCVBL-UHFFFAOYSA-N 1 2 317.383 4.275 20 30 DIEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc2ccc(F)c(F)c2n1 ZINC001621144350 1056319591 /nfs/dbraw/zinc/31/95/91/1056319591.db2.gz BUDUZQMKUSCVBL-UHFFFAOYSA-N 1 2 317.383 4.275 20 30 DIEDLO COc1c(C)c[nH+]c(CSCc2cc(C#N)ccc2F)c1C ZINC001116493815 1056326277 /nfs/dbraw/zinc/32/62/77/1056326277.db2.gz YTWHYVORZGVQHE-UHFFFAOYSA-N 1 2 316.401 4.151 20 30 DIEDLO Cc1cc([NH2+][C@H]2CCC[C@H](C#N)C2)ccc1N1CCSCC1 ZINC000765922066 1056485108 /nfs/dbraw/zinc/48/51/08/1056485108.db2.gz XYXCCJPHBINJHH-HOTGVXAUSA-N 1 2 315.486 4.043 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(N3CCCC3)c2)cc1C#N ZINC001240536552 1056559594 /nfs/dbraw/zinc/55/95/94/1056559594.db2.gz FCFRXZZOFGFRPK-PXLXIMEGSA-N 1 2 318.424 4.047 20 30 DIEDLO C=C(Br)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001615998305 1056605247 /nfs/dbraw/zinc/60/52/47/1056605247.db2.gz CTMBYKMXZURTIC-UHFFFAOYSA-N 1 2 312.638 4.338 20 30 DIEDLO C=C(Br)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001615998305 1056605257 /nfs/dbraw/zinc/60/52/57/1056605257.db2.gz CTMBYKMXZURTIC-UHFFFAOYSA-N 1 2 312.638 4.338 20 30 DIEDLO C=CC[N@H+](Cc1oc2ccccc2c1Br)C1CC1 ZINC001616576184 1056679077 /nfs/dbraw/zinc/67/90/77/1056679077.db2.gz JOJIDIXLZKWIMJ-UHFFFAOYSA-N 1 2 306.203 4.346 20 30 DIEDLO C=CC[N@@H+](Cc1oc2ccccc2c1Br)C1CC1 ZINC001616576184 1056679064 /nfs/dbraw/zinc/67/90/64/1056679064.db2.gz JOJIDIXLZKWIMJ-UHFFFAOYSA-N 1 2 306.203 4.346 20 30 DIEDLO C=C(C)C[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001617303442 1056810842 /nfs/dbraw/zinc/81/08/42/1056810842.db2.gz UOLVCVHVCGNRSL-AWEZNQCLSA-N 1 2 301.377 4.371 20 30 DIEDLO C=C(C)C[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001617303442 1056810849 /nfs/dbraw/zinc/81/08/49/1056810849.db2.gz UOLVCVHVCGNRSL-AWEZNQCLSA-N 1 2 301.377 4.371 20 30 DIEDLO CO[C@H](C)c1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001242033585 1057244912 /nfs/dbraw/zinc/24/49/12/1057244912.db2.gz BFLUOZLCEHTIFT-CNRHGSOZSA-N 1 2 307.397 4.154 20 30 DIEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1cccc(Cl)c1Cl ZINC001168757630 1057371676 /nfs/dbraw/zinc/37/16/76/1057371676.db2.gz IPYCYZDBCXVTFX-SNVBAGLBSA-N 1 2 306.196 4.111 20 30 DIEDLO C[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1cccc(C#N)c1 ZINC000611386156 1057594145 /nfs/dbraw/zinc/59/41/45/1057594145.db2.gz FHGSFFHTPWDKJT-CYBMUJFWSA-N 1 2 321.355 4.203 20 30 DIEDLO Cc1ccccc1-c1cnc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000611386319 1057594383 /nfs/dbraw/zinc/59/43/83/1057594383.db2.gz HVCPWJUCHLNNDF-OAHLLOKOSA-N 1 2 317.392 4.373 20 30 DIEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(Cl)nc(Cl)c2)cc1C#N ZINC001243369878 1057661876 /nfs/dbraw/zinc/66/18/76/1057661876.db2.gz MCNHHYDHZROWDO-DJKKODMXSA-N 1 2 319.195 4.148 20 30 DIEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc2ccccc2o1 ZINC000730147877 1057704567 /nfs/dbraw/zinc/70/45/67/1057704567.db2.gz VUBBKUQAPTVKQV-UHFFFAOYSA-N 1 2 301.349 4.239 20 30 DIEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000731159613 1057736711 /nfs/dbraw/zinc/73/67/11/1057736711.db2.gz UILHBUDMWZRJID-MDZDMXLPSA-N 1 2 322.339 4.024 20 30 DIEDLO Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2[nH]cc[nH+]2)CC3)cc1 ZINC000731159551 1057736730 /nfs/dbraw/zinc/73/67/30/1057736730.db2.gz SZMVWJDTGIMJOZ-JLHYYAGUSA-N 1 2 321.405 4.054 20 30 DIEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000731159843 1057736751 /nfs/dbraw/zinc/73/67/51/1057736751.db2.gz XVYIPJRBOHRDAJ-VQHVLOKHSA-N 1 2 308.312 4.237 20 30 DIEDLO Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2[nH]cc[nH+]2)CC3)cc1 ZINC000731159552 1057736900 /nfs/dbraw/zinc/73/69/00/1057736900.db2.gz SZMVWJDTGIMJOZ-RAXLEYEMSA-N 1 2 321.405 4.054 20 30 DIEDLO N#Cc1cnc(-c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc12 ZINC001243656213 1057745578 /nfs/dbraw/zinc/74/55/78/1057745578.db2.gz FGXZRKPYFMHIIU-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO N#Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)nc2ccccc12 ZINC001243655860 1057745648 /nfs/dbraw/zinc/74/56/48/1057745648.db2.gz DAMRZAJOWAWUMC-UHFFFAOYSA-N 1 2 310.360 4.018 20 30 DIEDLO N#Cc1nc2c(cccc2-c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC001243661481 1057747850 /nfs/dbraw/zinc/74/78/50/1057747850.db2.gz DAJUCQWFQAGNTM-UHFFFAOYSA-N 1 2 316.389 4.080 20 30 DIEDLO Cc1ccc2c(cccc2-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)n1 ZINC001243741576 1057767030 /nfs/dbraw/zinc/76/70/30/1057767030.db2.gz QMIDGVCTGMIOTJ-LPYMAVHISA-N 1 2 314.392 4.303 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000732210896 1057769429 /nfs/dbraw/zinc/76/94/29/1057769429.db2.gz VEKVEXKCSLAEEZ-QEEYODRMSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000732210896 1057769434 /nfs/dbraw/zinc/76/94/34/1057769434.db2.gz VEKVEXKCSLAEEZ-QEEYODRMSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000732208846 1057769457 /nfs/dbraw/zinc/76/94/57/1057769457.db2.gz FWDCYNAYUGAASL-STXHMFSFSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000732208846 1057769463 /nfs/dbraw/zinc/76/94/63/1057769463.db2.gz FWDCYNAYUGAASL-STXHMFSFSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000732208847 1057769709 /nfs/dbraw/zinc/76/97/09/1057769709.db2.gz FWDCYNAYUGAASL-SXGZJXTBSA-N 1 2 324.399 4.048 20 30 DIEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000732208847 1057769712 /nfs/dbraw/zinc/76/97/12/1057769712.db2.gz FWDCYNAYUGAASL-SXGZJXTBSA-N 1 2 324.399 4.048 20 30 DIEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000732987502 1057796315 /nfs/dbraw/zinc/79/63/15/1057796315.db2.gz WYFZVUPQIHFEPI-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000732987502 1057796317 /nfs/dbraw/zinc/79/63/17/1057796317.db2.gz WYFZVUPQIHFEPI-GOSISDBHSA-N 1 2 316.326 4.313 20 30 DIEDLO Cc1cc(F)c2[nH]ccc2c1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001243885150 1057799452 /nfs/dbraw/zinc/79/94/52/1057799452.db2.gz FCZBGGTZTQZVHZ-FOKLQQMPSA-N 1 2 320.371 4.376 20 30 DIEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1cccc(F)c1C#N ZINC001559419215 1059220577 /nfs/dbraw/zinc/22/05/77/1059220577.db2.gz WCEOVSFHUYLTBL-UHFFFAOYSA-N 1 2 323.396 4.484 20 30 DIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(O)ccc1Cl ZINC001559492945 1059269169 /nfs/dbraw/zinc/26/91/69/1059269169.db2.gz KKGRPMBEMZEWPY-UHFFFAOYSA-N 1 2 317.816 4.242 20 30 DIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(O)ccc1Cl ZINC001559492945 1059269181 /nfs/dbraw/zinc/26/91/81/1059269181.db2.gz KKGRPMBEMZEWPY-UHFFFAOYSA-N 1 2 317.816 4.242 20 30 DIEDLO C=CCCC[C@H](C(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC001524628238 1059557310 /nfs/dbraw/zinc/55/73/10/1059557310.db2.gz FHTMUEZGUKCOHI-SFHVURJKSA-N 1 2 319.408 4.413 20 30 DIEDLO COc1c(Cl)c(Cl)ccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001248641810 1059922215 /nfs/dbraw/zinc/92/22/15/1059922215.db2.gz RKYVFWCWGQSVGL-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO COc1c(Cl)c(Cl)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001248641810 1059922230 /nfs/dbraw/zinc/92/22/30/1059922230.db2.gz RKYVFWCWGQSVGL-NSHDSACASA-N 1 2 313.228 4.128 20 30 DIEDLO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1Cl ZINC001248885351 1060041321 /nfs/dbraw/zinc/04/13/21/1060041321.db2.gz UAEVNOZGONIRLI-KRWDZBQOSA-N 1 2 306.837 4.079 20 30 DIEDLO CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@@](C)(C#N)C2)cc1Cl ZINC001248885351 1060041331 /nfs/dbraw/zinc/04/13/31/1060041331.db2.gz UAEVNOZGONIRLI-KRWDZBQOSA-N 1 2 306.837 4.079 20 30 DIEDLO C=CC[NH+](CC=C)Cc1c(F)cccc1NC(=O)OC(C)(C)C ZINC001249385099 1060231431 /nfs/dbraw/zinc/23/14/31/1060231431.db2.gz MPSHBMZYOOBJEB-UHFFFAOYSA-N 1 2 320.408 4.347 20 30 DIEDLO N#Cc1ccc2cc(C[N@H+]3CCc4ccc(Cl)cc4C3)[nH]c2c1 ZINC001249426316 1060247783 /nfs/dbraw/zinc/24/77/83/1060247783.db2.gz MBZYPYQQYKPLHB-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO N#Cc1ccc2cc(C[N@@H+]3CCc4ccc(Cl)cc4C3)[nH]c2c1 ZINC001249426316 1060247798 /nfs/dbraw/zinc/24/77/98/1060247798.db2.gz MBZYPYQQYKPLHB-UHFFFAOYSA-N 1 2 321.811 4.251 20 30 DIEDLO Cc1ccc([C@H]([NH2+]Cc2csc(C#N)c2)c2ccccn2)cc1 ZINC001560461983 1060253794 /nfs/dbraw/zinc/25/37/94/1060253794.db2.gz ZTLNVQLPYZKJAE-IBGZPJMESA-N 1 2 319.433 4.202 20 30 DIEDLO C=CCc1cc(CNc2c[nH+]cc3c2CCCC3)cc(OC)c1O ZINC001560531589 1060335885 /nfs/dbraw/zinc/33/58/85/1060335885.db2.gz HCAJVWKHZIUQOZ-UHFFFAOYSA-N 1 2 324.424 4.015 20 30 DIEDLO N#Cc1csc(CNc2ccc(Nc3ccccc3)c[nH+]2)c1 ZINC001560538751 1060345195 /nfs/dbraw/zinc/34/51/95/1060345195.db2.gz COVJHSKCICFCBR-UHFFFAOYSA-N 1 2 306.394 4.370 20 30 DIEDLO C#CC[N@@H+](Cc1cc(Cl)c(OC(C)C)cc1Cl)C1CC1 ZINC001560839920 1060695722 /nfs/dbraw/zinc/69/57/22/1060695722.db2.gz DQECFPHKBVXZGM-UHFFFAOYSA-N 1 2 312.240 4.378 20 30 DIEDLO C#CC[N@H+](Cc1cc(Cl)c(OC(C)C)cc1Cl)C1CC1 ZINC001560839920 1060695729 /nfs/dbraw/zinc/69/57/29/1060695729.db2.gz DQECFPHKBVXZGM-UHFFFAOYSA-N 1 2 312.240 4.378 20 30 DIEDLO Cc1ccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)cc1C#N ZINC001250804336 1061077993 /nfs/dbraw/zinc/07/79/93/1061077993.db2.gz MLOOTIQLODXNGJ-UHFFFAOYSA-N 1 2 302.381 4.010 20 30 DIEDLO C#CC[N@@H+](CC[C@H](C)CCC=C(C)C)CC(=O)OC(C)(C)C ZINC001462412832 1061158764 /nfs/dbraw/zinc/15/87/64/1061158764.db2.gz URBGYDVYZBNQPQ-QGZVFWFLSA-N 1 2 307.478 4.036 20 30 DIEDLO C#CC[N@H+](CC[C@H](C)CCC=C(C)C)CC(=O)OC(C)(C)C ZINC001462412832 1061158773 /nfs/dbraw/zinc/15/87/73/1061158773.db2.gz URBGYDVYZBNQPQ-QGZVFWFLSA-N 1 2 307.478 4.036 20 30 DIEDLO N#Cc1c(F)cccc1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC001462422865 1061164449 /nfs/dbraw/zinc/16/44/49/1061164449.db2.gz BYDVFEGHZSXUME-UHFFFAOYSA-N 1 2 314.747 4.387 20 30 DIEDLO N#Cc1cncc(C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001473472900 1061179384 /nfs/dbraw/zinc/17/93/84/1061179384.db2.gz CQCHJPDOMBURAZ-GOSISDBHSA-N 1 2 311.816 4.334 20 30 DIEDLO N#Cc1cncc(C[N@@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001473472900 1061179388 /nfs/dbraw/zinc/17/93/88/1061179388.db2.gz CQCHJPDOMBURAZ-GOSISDBHSA-N 1 2 311.816 4.334 20 30 DIEDLO C=CC[C@H]1CCC[N@@H+]([C@@H](C(=O)OCC)c2cccc(Cl)c2)C1 ZINC001473626964 1061301116 /nfs/dbraw/zinc/30/11/16/1061301116.db2.gz AXHKPIPPEQLSES-WMLDXEAASA-N 1 2 321.848 4.232 20 30 DIEDLO C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)OCC)c2cccc(Cl)c2)C1 ZINC001473626964 1061301128 /nfs/dbraw/zinc/30/11/28/1061301128.db2.gz AXHKPIPPEQLSES-WMLDXEAASA-N 1 2 321.848 4.232 20 30 DIEDLO CC(C)(C#N)CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001473647949 1061313977 /nfs/dbraw/zinc/31/39/77/1061313977.db2.gz WKKZHSNLXCIVFM-INIZCTEOSA-N 1 2 320.864 4.432 20 30 DIEDLO CC(C)(C#N)CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001473647949 1061313993 /nfs/dbraw/zinc/31/39/93/1061313993.db2.gz WKKZHSNLXCIVFM-INIZCTEOSA-N 1 2 320.864 4.432 20 30 DIEDLO CCCCCCCCOCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001465896837 1061833399 /nfs/dbraw/zinc/83/33/99/1061833399.db2.gz NYPMHHBBNYSCQF-UHFFFAOYSA-N 1 2 317.433 4.187 20 30 DIEDLO C=CCCCCCC[C@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001253228755 1061835229 /nfs/dbraw/zinc/83/52/29/1061835229.db2.gz KTNVEYIDQQLVRL-IBGZPJMESA-N 1 2 313.445 4.172 20 30 DIEDLO Cc1ccc([C@H](C)[N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])c(C)c1 ZINC001459353886 1062108228 /nfs/dbraw/zinc/10/82/28/1062108228.db2.gz WPLYCEKDYMPKRI-HNNXBMFYSA-N 1 2 323.396 4.276 20 30 DIEDLO Cc1ccc([C@H](C)[N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])c(C)c1 ZINC001459353886 1062108235 /nfs/dbraw/zinc/10/82/35/1062108235.db2.gz WPLYCEKDYMPKRI-HNNXBMFYSA-N 1 2 323.396 4.276 20 30 DIEDLO N#CC1([NH2+]C2CCN(c3ccc(F)cc3)CC2)CCCCCC1 ZINC001254613100 1062200173 /nfs/dbraw/zinc/20/01/73/1062200173.db2.gz XYNFIBHMFMASQM-UHFFFAOYSA-N 1 2 315.436 4.001 20 30 DIEDLO C#C[C@H]([NH2+]Cc1cc2ccccc2cc1OC)c1ccc(F)cc1 ZINC001474544974 1062239289 /nfs/dbraw/zinc/23/92/89/1062239289.db2.gz ZHBUSLLXMBWDPY-FQEVSTJZSA-N 1 2 319.379 4.452 20 30 DIEDLO CC(C)c1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1C#N)CC2 ZINC001474617872 1062340952 /nfs/dbraw/zinc/34/09/52/1062340952.db2.gz ITHODUNPQVZUTJ-UHFFFAOYSA-N 1 2 308.400 4.379 20 30 DIEDLO CC(C)c1ccc2c(c1)C[N@H+](Cc1cccc(F)c1C#N)CC2 ZINC001474617872 1062340978 /nfs/dbraw/zinc/34/09/78/1062340978.db2.gz ITHODUNPQVZUTJ-UHFFFAOYSA-N 1 2 308.400 4.379 20 30 DIEDLO CCOc1ccc([N@H+](CCc2ccc(C#N)cc2)CC2CC2)cc1 ZINC001460629352 1062951169 /nfs/dbraw/zinc/95/11/69/1062951169.db2.gz DXMDADKUOVWSSK-UHFFFAOYSA-N 1 2 320.436 4.416 20 30 DIEDLO CCOc1ccc([N@@H+](CCc2ccc(C#N)cc2)CC2CC2)cc1 ZINC001460629352 1062951201 /nfs/dbraw/zinc/95/12/01/1062951201.db2.gz DXMDADKUOVWSSK-UHFFFAOYSA-N 1 2 320.436 4.416 20 30 DIEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001460724475 1063018014 /nfs/dbraw/zinc/01/80/14/1063018014.db2.gz KCKXWVHKCWMUAP-LBPRGKRZSA-N 1 2 314.791 4.470 20 30 DIEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001460724475 1063018034 /nfs/dbraw/zinc/01/80/34/1063018034.db2.gz KCKXWVHKCWMUAP-LBPRGKRZSA-N 1 2 314.791 4.470 20 30 DIEDLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)Cc1cc(C#N)cs1 ZINC001460846477 1063098536 /nfs/dbraw/zinc/09/85/36/1063098536.db2.gz FCZRBHDVLNVNAN-CYBMUJFWSA-N 1 2 323.421 4.468 20 30 DIEDLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC001460846477 1063098558 /nfs/dbraw/zinc/09/85/58/1063098558.db2.gz FCZRBHDVLNVNAN-CYBMUJFWSA-N 1 2 323.421 4.468 20 30 DIEDLO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCCC[C@H]1C#N ZINC001258314031 1063606680 /nfs/dbraw/zinc/60/66/80/1063606680.db2.gz OSKOUUPTEALPKG-GJZGRUSLSA-N 1 2 306.475 4.448 20 30 DIEDLO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCCC[C@H]1C#N ZINC001258314031 1063606687 /nfs/dbraw/zinc/60/66/87/1063606687.db2.gz OSKOUUPTEALPKG-GJZGRUSLSA-N 1 2 306.475 4.448 20 30 DIEDLO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258709593 1063765300 /nfs/dbraw/zinc/76/53/00/1063765300.db2.gz LTMYLQVQTGWBRB-ZWKOTPCHSA-N 1 2 315.482 4.062 20 30 DIEDLO CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258709593 1063765311 /nfs/dbraw/zinc/76/53/11/1063765311.db2.gz LTMYLQVQTGWBRB-ZWKOTPCHSA-N 1 2 315.482 4.062 20 30 DIEDLO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1nc(C(C)(C)C)cs1 ZINC001262160531 1063957864 /nfs/dbraw/zinc/95/78/64/1063957864.db2.gz HXAGVJCQLJRXJP-VXGBXAGGSA-N 1 2 314.458 4.119 20 30 DIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)c1cc(C#N)ccn1 ZINC001262160528 1063958011 /nfs/dbraw/zinc/95/80/11/1063958011.db2.gz HXAGVJCQLJRXJP-NEPJUHHUSA-N 1 2 314.458 4.119 20 30 DIEDLO C=CC[C@@H]1N(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCC1(C)C ZINC001297187212 1064973115 /nfs/dbraw/zinc/97/31/15/1064973115.db2.gz ZAPFFGMMHUSLRH-SJORKVTESA-N 1 2 317.477 4.064 20 30 DIEDLO CCCCCCCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC001307072696 1065249511 /nfs/dbraw/zinc/24/95/11/1065249511.db2.gz PWSBFZFUIAJTLP-UHFFFAOYSA-N 1 2 303.454 4.354 20 30 DIEDLO C=C(C)CC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001307453586 1065409255 /nfs/dbraw/zinc/40/92/55/1065409255.db2.gz SLMCYVKHMUSZFM-HNNXBMFYSA-N 1 2 300.229 4.333 20 30 DIEDLO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001307453586 1065409259 /nfs/dbraw/zinc/40/92/59/1065409259.db2.gz SLMCYVKHMUSZFM-HNNXBMFYSA-N 1 2 300.229 4.333 20 30 DIEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001307825296 1065640291 /nfs/dbraw/zinc/64/02/91/1065640291.db2.gz FVGPEZYVWRRPDC-NSHDSACASA-N 1 2 315.642 4.193 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2cc(F)cc(F)c2C1 ZINC001308174580 1065790628 /nfs/dbraw/zinc/79/06/28/1065790628.db2.gz LMZOYXUUVAMRBQ-UHFFFAOYSA-N 1 2 312.363 4.012 20 30 DIEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2cc(F)cc(F)c2C1 ZINC001308174580 1065790638 /nfs/dbraw/zinc/79/06/38/1065790638.db2.gz LMZOYXUUVAMRBQ-UHFFFAOYSA-N 1 2 312.363 4.012 20 30 DIEDLO Cc1cccc([C@@H]([NH2+]Cc2csc(C#N)c2)c2ccccn2)c1 ZINC001308358727 1065937134 /nfs/dbraw/zinc/93/71/34/1065937134.db2.gz PJLNJNXPTDEEIY-LJQANCHMSA-N 1 2 319.433 4.202 20 30 DIEDLO