smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1nccnc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000096441192 230372987 /nfs/dbraw/zinc/37/29/87/230372987.db2.gz HALFFMLUPFRJSE-UHFFFAOYSA-N 1 2 290.330 2.205 10 30 CEEELO N#C[C@]1(N2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000037355564 343426731 /nfs/dbraw/zinc/42/67/31/343426731.db2.gz YTCVUKTWKLYXQB-MRXNPFEDSA-N 1 2 255.365 2.250 10 30 CEEELO N#C[C@]1(N2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000037355564 343426732 /nfs/dbraw/zinc/42/67/32/343426732.db2.gz YTCVUKTWKLYXQB-MRXNPFEDSA-N 1 2 255.365 2.250 10 30 CEEELO C=CCC[C@H](O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000128210709 187357503 /nfs/dbraw/zinc/35/75/03/187357503.db2.gz QLUCCUQXUPMORD-ZDUSSCGKSA-N 1 2 277.412 2.229 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)C[C@@H](C)OCC1CCOCC1 ZINC000084306479 178851881 /nfs/dbraw/zinc/85/18/81/178851881.db2.gz BAZOHCIXDASFIJ-HIFRSBDPSA-N 1 2 268.401 2.488 10 30 CEEELO C[NH2+][C@@]1(C#N)CCC[C@H](n2cc(Br)cn2)C1 ZINC000086604088 179310967 /nfs/dbraw/zinc/31/09/67/179310967.db2.gz JJTOUKYBQJMFJN-QWRGUYRKSA-N 1 2 283.173 2.242 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1CCOc1ccc2ccccc2c1 ZINC000091749297 180245970 /nfs/dbraw/zinc/24/59/70/180245970.db2.gz ZFYSTRAETIIFCP-INIZCTEOSA-N 1 2 281.359 2.016 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1csc(-c2ccccc2)n1 ZINC000091749092 180246083 /nfs/dbraw/zinc/24/60/83/180246083.db2.gz ZOHZVNHBACKTNS-CQSZACIVSA-N 1 2 284.388 2.107 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1csc2ccccc12 ZINC000091749189 180246175 /nfs/dbraw/zinc/24/61/75/180246175.db2.gz HWMIQWCXUGAGNE-LBPRGKRZSA-N 1 2 257.362 2.199 10 30 CEEELO Cn1c[nH+]cc1[C@H](O)[C@]1(C#N)CCc2ccccc2C1 ZINC000091904321 180283014 /nfs/dbraw/zinc/28/30/14/180283014.db2.gz IPGNYPXEXAVBKX-JKSUJKDBSA-N 1 2 267.332 2.152 10 30 CEEELO C=CCCC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000105819635 186074326 /nfs/dbraw/zinc/07/43/26/186074326.db2.gz FCZKXIZILPRTDJ-UHFFFAOYSA-N 1 2 293.436 2.452 10 30 CEEELO C=CCCC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000105819635 186074327 /nfs/dbraw/zinc/07/43/27/186074327.db2.gz FCZKXIZILPRTDJ-UHFFFAOYSA-N 1 2 293.436 2.452 10 30 CEEELO Cc1cc(NS(=O)(=O)c2cccc(F)c2C#N)cc[nH+]1 ZINC000092350086 180368313 /nfs/dbraw/zinc/36/83/13/180368313.db2.gz HDMGPXIOLVAFAI-UHFFFAOYSA-N 1 2 291.307 2.202 10 30 CEEELO Cc1nn(C)c(Nc2ccc([NH+](C)C)cc2)c1C#N ZINC000111355466 186404150 /nfs/dbraw/zinc/40/41/50/186404150.db2.gz AZRTWYHQJTZHMC-UHFFFAOYSA-N 1 2 255.325 2.410 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000189994342 369585880 /nfs/dbraw/zinc/58/58/80/369585880.db2.gz UFGFBCGUOAZMSL-CYBMUJFWSA-N 1 2 264.350 2.147 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000189994342 369585887 /nfs/dbraw/zinc/58/58/87/369585887.db2.gz UFGFBCGUOAZMSL-CYBMUJFWSA-N 1 2 264.350 2.147 10 30 CEEELO CCC[NH2+][C@]1(C#N)CCC[C@@H]1CCO[C@@H](C)COC ZINC000093579901 184692169 /nfs/dbraw/zinc/69/21/69/184692169.db2.gz ICLGSQUUPJUSEN-ZNMIVQPWSA-N 1 2 268.401 2.490 10 30 CEEELO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)c(OC)c1OC ZINC000061891058 394569199 /nfs/dbraw/zinc/56/91/99/394569199.db2.gz RLOKWRFZLSCQSK-AAEUAGOBSA-N 1 2 290.363 2.494 10 30 CEEELO Cc1cnn([C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000247404276 394530320 /nfs/dbraw/zinc/53/03/20/394530320.db2.gz YVCRIYDCQURLHT-HUUCEWRRSA-N 1 2 271.368 2.272 10 30 CEEELO Cc1cnn([C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000247404276 394530321 /nfs/dbraw/zinc/53/03/21/394530321.db2.gz YVCRIYDCQURLHT-HUUCEWRRSA-N 1 2 271.368 2.272 10 30 CEEELO N#CCCC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121546983 394799445 /nfs/dbraw/zinc/79/94/45/394799445.db2.gz BMIWKNZROZTFNY-FZMZJTMJSA-N 1 2 266.291 2.376 10 30 CEEELO N#CCCC[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121546983 394799451 /nfs/dbraw/zinc/79/94/51/394799451.db2.gz BMIWKNZROZTFNY-FZMZJTMJSA-N 1 2 266.291 2.376 10 30 CEEELO Cc1cc(NCC[C@H](C)[S@](C)=O)c(C#N)c(C)[nH+]1 ZINC000158085984 395037257 /nfs/dbraw/zinc/03/72/57/395037257.db2.gz DOHFRJIQCLKCAK-XTZNXHDOSA-N 1 2 265.382 2.139 10 30 CEEELO N#C[C@](N)(C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000045179464 175324412 /nfs/dbraw/zinc/32/44/12/175324412.db2.gz UHZVLPZYCVKLRM-SFHVURJKSA-N 1 2 277.371 2.422 10 30 CEEELO N#C[C@](N)(C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000045179464 175324414 /nfs/dbraw/zinc/32/44/14/175324414.db2.gz UHZVLPZYCVKLRM-SFHVURJKSA-N 1 2 277.371 2.422 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCN(CC(F)(F)F)C1CC1 ZINC000045313715 175357579 /nfs/dbraw/zinc/35/75/79/175357579.db2.gz GNNIAAFCRYYVPM-LLVKDONJSA-N 1 2 263.307 2.295 10 30 CEEELO CCCCOCCOCCCC[C@](C)(C#N)[NH2+]C ZINC000045324091 175359856 /nfs/dbraw/zinc/35/98/56/175359856.db2.gz GAERGWVEQGDARZ-CQSZACIVSA-N 1 2 256.390 2.492 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCCOc1ccc2c(c1)OCO2 ZINC000045326322 175359904 /nfs/dbraw/zinc/35/99/04/175359904.db2.gz YSPHRVGDZJGESB-HNNXBMFYSA-N 1 2 276.336 2.466 10 30 CEEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cccnc2s1 ZINC000333650702 228208272 /nfs/dbraw/zinc/20/82/72/228208272.db2.gz UTIUFDNENCHRLJ-VHSXEESVSA-N 1 2 258.350 2.473 10 30 CEEELO CC[NH2+][C@@](C#N)(Cn1cnc2ccccc21)C1CC1 ZINC000069084269 520129189 /nfs/dbraw/zinc/12/91/89/520129189.db2.gz JJPIVXACKQCIAP-HNNXBMFYSA-N 1 2 254.337 2.318 10 30 CEEELO C[NH2+][C@](C)(C#N)C[C@H](C)Sc1nnc2n1CCCCC2 ZINC000068624900 522511963 /nfs/dbraw/zinc/51/19/63/522511963.db2.gz KBHCZUPKDCULLE-FZMZJTMJSA-N 1 2 293.440 2.377 10 30 CEEELO C[NH2+][C@@](C)(C#N)C[C@H](C)n1cc(Br)cn1 ZINC000082795275 178300530 /nfs/dbraw/zinc/30/05/30/178300530.db2.gz TWUDLMDIDPNFNJ-WCBMZHEXSA-N 1 2 271.162 2.098 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@H](C)n1cc(Br)cn1 ZINC000082795283 178300543 /nfs/dbraw/zinc/30/05/43/178300543.db2.gz ZTWVDFSGSRTYHJ-ONGXEEELSA-N 1 2 285.189 2.488 10 30 CEEELO COC(=O)C1(c2ccccc2)CC[NH+]([C@H](C)CC#N)CC1 ZINC000039024158 343435444 /nfs/dbraw/zinc/43/54/44/343435444.db2.gz WNEUYVNVOZLGOJ-CQSZACIVSA-N 1 2 286.375 2.495 10 30 CEEELO O=CC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000054239283 343586790 /nfs/dbraw/zinc/58/67/90/343586790.db2.gz VCKGLCYJPXDICV-UHFFFAOYSA-N 1 2 272.142 2.453 10 30 CEEELO CCCc1n[nH]cc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328633999 344757234 /nfs/dbraw/zinc/75/72/34/344757234.db2.gz SZZPITAKIRVBFB-LLVKDONJSA-N 1 2 287.367 2.126 10 30 CEEELO CC1=C(C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC000328644377 344758233 /nfs/dbraw/zinc/75/82/33/344758233.db2.gz ZFSZBJGCPRQZDF-GFCCVEGCSA-N 1 2 275.352 2.486 10 30 CEEELO CCc1ncsc1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328619125 344755550 /nfs/dbraw/zinc/75/55/50/344755550.db2.gz FMQYRIHFVSJDOB-JTQLQIEISA-N 1 2 290.392 2.469 10 30 CEEELO COc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)c1OC ZINC000061891255 362696647 /nfs/dbraw/zinc/69/66/47/362696647.db2.gz RXVZHGKGTMBJIQ-AAEUAGOBSA-N 1 2 260.337 2.486 10 30 CEEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000061892264 362697018 /nfs/dbraw/zinc/69/70/18/362697018.db2.gz QKGATGDSXZHGBE-WCQYABFASA-N 1 2 252.321 2.412 10 30 CEEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000061891904 362697606 /nfs/dbraw/zinc/69/76/06/362697606.db2.gz UMFLIJPEVRCJIA-WCQYABFASA-N 1 2 258.321 2.240 10 30 CEEELO CCc1nnc([C@@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)[nH]1 ZINC000129223591 365836869 /nfs/dbraw/zinc/83/68/69/365836869.db2.gz MLWFYKIFLYVFBS-LBPRGKRZSA-N 1 2 291.399 2.070 10 30 CEEELO CCc1nnc([C@@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)[nH]1 ZINC000129223591 365836876 /nfs/dbraw/zinc/83/68/76/365836876.db2.gz MLWFYKIFLYVFBS-LBPRGKRZSA-N 1 2 291.399 2.070 10 30 CEEELO CCc1nc([C@@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)n[nH]1 ZINC000129223591 365836878 /nfs/dbraw/zinc/83/68/78/365836878.db2.gz MLWFYKIFLYVFBS-LBPRGKRZSA-N 1 2 291.399 2.070 10 30 CEEELO CCc1nc([C@@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)n[nH]1 ZINC000129223591 365836885 /nfs/dbraw/zinc/83/68/85/365836885.db2.gz MLWFYKIFLYVFBS-LBPRGKRZSA-N 1 2 291.399 2.070 10 30 CEEELO C#CCn1c(N)c(-c2cnn(C)c2)[nH+]c1-c1ccccc1 ZINC000106840858 186139885 /nfs/dbraw/zinc/13/98/85/186139885.db2.gz BDMLYHZJLWVANL-UHFFFAOYSA-N 1 2 277.331 2.166 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2ccc3ncccc3c2)no1 ZINC000092481493 180394789 /nfs/dbraw/zinc/39/47/89/180394789.db2.gz VYVCWEXJTAHQFY-UHFFFAOYSA-N 1 2 264.288 2.008 10 30 CEEELO COC1(CNc2cc(C)[nH+]c(C)c2C#N)CCOCC1 ZINC000120535306 365439008 /nfs/dbraw/zinc/43/90/08/365439008.db2.gz GDIDBCYAMSVJRN-UHFFFAOYSA-N 1 2 275.352 2.178 10 30 CEEELO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)n2c1 ZINC000245542855 370836436 /nfs/dbraw/zinc/83/64/36/370836436.db2.gz QFJMPLQYXZXZLX-CVEARBPZSA-N 1 2 296.374 2.349 10 30 CEEELO N#Cc1ccc2ncc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)n2c1 ZINC000245542855 370836440 /nfs/dbraw/zinc/83/64/40/370836440.db2.gz QFJMPLQYXZXZLX-CVEARBPZSA-N 1 2 296.374 2.349 10 30 CEEELO CNC(=O)[C@H](C)Oc1ccc(Br)cc1/C=[NH+]\C ZINC000252481912 371442538 /nfs/dbraw/zinc/44/25/38/371442538.db2.gz CVDDSGDBSCUPFP-DPVXPKBMSA-N 1 2 299.168 2.011 10 30 CEEELO CCCCOC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405061370 395287795 /nfs/dbraw/zinc/28/77/95/395287795.db2.gz RMUZXPCOUVSVEM-OAHLLOKOSA-N 1 2 274.364 2.051 10 30 CEEELO CCCCOC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405061370 395287799 /nfs/dbraw/zinc/28/77/99/395287799.db2.gz RMUZXPCOUVSVEM-OAHLLOKOSA-N 1 2 274.364 2.051 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2cccc(C)n2)c1N ZINC000040685305 174375314 /nfs/dbraw/zinc/37/53/14/174375314.db2.gz RNSKPLREVZWMKK-UHFFFAOYSA-N 1 2 256.313 2.104 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCN(CC)CC(F)(F)F ZINC000045181699 175324827 /nfs/dbraw/zinc/32/48/27/175324827.db2.gz YDTUHYWXKPRPDL-SNVBAGLBSA-N 1 2 251.296 2.152 10 30 CEEELO CC(C)N[C@@](C#N)(Cn1cc[nH+]c1)c1ccccc1 ZINC000045183632 175326217 /nfs/dbraw/zinc/32/62/17/175326217.db2.gz NWCNDSXYHAWEJR-HNNXBMFYSA-N 1 2 254.337 2.300 10 30 CEEELO C[C@](C#N)(CCCOCC(F)(F)F)[NH2+]C1CC1 ZINC000045326541 175359578 /nfs/dbraw/zinc/35/95/78/175359578.db2.gz QDAQGJLLHHUJGZ-SNVBAGLBSA-N 1 2 250.264 2.380 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCOC[C@@H]1CCCCO1 ZINC000045326131 175359641 /nfs/dbraw/zinc/35/96/41/175359641.db2.gz IVIUOTJIZPKVSH-KBPBESRZSA-N 1 2 254.374 2.244 10 30 CEEELO C[C@](C#N)(CCCn1cc(Cl)cn1)[NH2+]C1CC1 ZINC000045322206 175359953 /nfs/dbraw/zinc/35/99/53/175359953.db2.gz KLRZHTSMHULTRH-GFCCVEGCSA-N 1 2 252.749 2.351 10 30 CEEELO Cc1[nH]c(C(=O)NC[C@@H]2Cc3ccccc3N(C)C2)c[nH+]1 ZINC000329967752 228000833 /nfs/dbraw/zinc/00/08/33/228000833.db2.gz SRVAROCEOYSXQD-LBPRGKRZSA-N 1 2 284.363 2.331 10 30 CEEELO CCCN[C@](C#N)(C[N@H+](CCOC)[C@@H](C)CC)C1CC1 ZINC000069080361 520101051 /nfs/dbraw/zinc/10/10/51/520101051.db2.gz AHKRGWRTUQVJAC-GOEBONIOSA-N 1 2 281.444 2.405 10 30 CEEELO CCCN[C@](C#N)(C[N@@H+](CCOC)[C@@H](C)CC)C1CC1 ZINC000069080361 520101054 /nfs/dbraw/zinc/10/10/54/520101054.db2.gz AHKRGWRTUQVJAC-GOEBONIOSA-N 1 2 281.444 2.405 10 30 CEEELO CC[N@H+](C[C@](C#N)(NC(C)C)C1CC1)[C@@H](C)COC ZINC000069079309 521273245 /nfs/dbraw/zinc/27/32/45/521273245.db2.gz BVRJFQOIXVIXBK-ZFWWWQNUSA-N 1 2 267.417 2.014 10 30 CEEELO CC[N@@H+](C[C@](C#N)(NC(C)C)C1CC1)[C@@H](C)COC ZINC000069079309 521273251 /nfs/dbraw/zinc/27/32/51/521273251.db2.gz BVRJFQOIXVIXBK-ZFWWWQNUSA-N 1 2 267.417 2.014 10 30 CEEELO CCc1nc2ccccc2n1C[C@]([NH3+])(C#N)C1CC1 ZINC000069085024 522504645 /nfs/dbraw/zinc/50/46/45/522504645.db2.gz GOORASHKUCUQBM-OAHLLOKOSA-N 1 2 254.337 2.230 10 30 CEEELO COc1ccc(O[C@@H](C)C[C@@](C)([NH3+])C#N)c([N+](=O)[O-])c1 ZINC000068622633 524983873 /nfs/dbraw/zinc/98/38/73/524983873.db2.gz WDALSEXMKREDQL-TVQRCGJNSA-N 1 2 279.296 2.002 10 30 CEEELO N#C[C@@]([NH3+])(COc1cccc2cccnc21)C1CC1 ZINC000069086462 526503077 /nfs/dbraw/zinc/50/30/77/526503077.db2.gz ZOSBGRIJRZZJMZ-OAHLLOKOSA-N 1 2 253.305 2.245 10 30 CEEELO N#C[C@H]([NH3+])COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000050440603 526510118 /nfs/dbraw/zinc/51/01/18/526510118.db2.gz OAUYQRUZCRHCDM-YFKPBYRVSA-N 1 2 276.079 2.131 10 30 CEEELO N#C[C@]([NH3+])(Cn1cc(-c2ccccc2)cn1)C1CC1 ZINC000069084971 526514888 /nfs/dbraw/zinc/51/48/88/526514888.db2.gz QUJDJMVPXZMZNZ-HNNXBMFYSA-N 1 2 252.321 2.181 10 30 CEEELO N/N=C/c1[nH+]c(-c2ccc(F)cc2)n2ccccc12 ZINC000033960844 361786124 /nfs/dbraw/zinc/78/61/24/361786124.db2.gz ZIBKOMDYWNQLRD-RQZCQDPDSA-N 1 2 254.268 2.433 10 30 CEEELO C=CCN1CCN(C(=O)CC2CC2)Cc2ccc[nH+]c21 ZINC000096100590 185098112 /nfs/dbraw/zinc/09/81/12/185098112.db2.gz LMUUORNDGUVKKR-UHFFFAOYSA-N 1 2 271.364 2.216 10 30 CEEELO Cc1ccncc1NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000328628944 344756283 /nfs/dbraw/zinc/75/62/83/344756283.db2.gz OFRXKLMXIJJYRY-GFCCVEGCSA-N 1 2 285.351 2.175 10 30 CEEELO C#CC[NH2+]Cc1nc(C2(c3ccccc3)CCC2)no1 ZINC000092481479 180395264 /nfs/dbraw/zinc/39/52/64/180395264.db2.gz RRESHELUDVLUCH-UHFFFAOYSA-N 1 2 267.332 2.262 10 30 CEEELO CCC[C@@H](C#N)N1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000109456576 186254325 /nfs/dbraw/zinc/25/43/25/186254325.db2.gz ZLBWNDMJBWAZSZ-AWEZNQCLSA-N 1 2 261.369 2.398 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000109454605 186254358 /nfs/dbraw/zinc/25/43/58/186254358.db2.gz LJHLBPMKKAAQIA-AWEZNQCLSA-N 1 2 261.344 2.245 10 30 CEEELO N#Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177742727 189066706 /nfs/dbraw/zinc/06/67/06/189066706.db2.gz PLDFTVRFQGNXSC-OAHLLOKOSA-N 1 2 280.331 2.060 10 30 CEEELO CCOCCOCC[C@H]1CCC[C@@]1(C#N)[NH2+]C(C)C ZINC000093577320 184692025 /nfs/dbraw/zinc/69/20/25/184692025.db2.gz DNBCKPHZRUSOSP-CABCVRRESA-N 1 2 268.401 2.490 10 30 CEEELO CC(C)[NH2+][C@]1(C#N)CC[C@@H](Sc2ncccn2)C1 ZINC000093806503 184724030 /nfs/dbraw/zinc/72/40/30/184724030.db2.gz XEDLVNSAOKOJAK-DGCLKSJQSA-N 1 2 262.382 2.382 10 30 CEEELO CC#CC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246659359 131096077 /nfs/dbraw/zinc/09/60/77/131096077.db2.gz KQQBFIZJUMXMOG-FZMZJTMJSA-N 1 2 251.276 2.096 10 30 CEEELO CC#CC[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246659359 131096079 /nfs/dbraw/zinc/09/60/79/131096079.db2.gz KQQBFIZJUMXMOG-FZMZJTMJSA-N 1 2 251.276 2.096 10 30 CEEELO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(OC)c1OC ZINC000061891057 394568940 /nfs/dbraw/zinc/56/89/40/394568940.db2.gz RLOKWRFZLSCQSK-WCQYABFASA-N 1 2 290.363 2.494 10 30 CEEELO COc1cc(NC2=[NH+][C@H](C)CS2)cc(OC)c1OC ZINC000035294494 172106138 /nfs/dbraw/zinc/10/61/38/172106138.db2.gz HNLTTYNZALYHKB-MRVPVSSYSA-N 1 2 282.365 2.425 10 30 CEEELO COc1ccc(N[C@]2(C#N)C[NH+]3CCC2CC3)cc1 ZINC000037936612 173877052 /nfs/dbraw/zinc/87/70/52/173877052.db2.gz DTHXDARKHODHTK-OAHLLOKOSA-N 1 2 257.337 2.095 10 30 CEEELO C[C@@](C#N)(CCCn1cc(Br)cn1)[NH2+]C1CC1 ZINC000045322310 175359936 /nfs/dbraw/zinc/35/99/36/175359936.db2.gz AZQONJIZVLXDKZ-LBPRGKRZSA-N 1 2 297.200 2.460 10 30 CEEELO N#Cc1cnc(Nc2ccc3c(c2)CCC[NH2+]3)cn1 ZINC000071178363 176055664 /nfs/dbraw/zinc/05/56/64/176055664.db2.gz GJVVHDRMXVCWBC-UHFFFAOYSA-N 1 2 251.293 2.450 10 30 CEEELO COc1ccc(C#N)cc1C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000151502350 289060117 /nfs/dbraw/zinc/06/01/17/289060117.db2.gz BISQEQUJWRAEFF-RYUDHWBXSA-N 1 2 260.337 2.176 10 30 CEEELO CC[NH2+][C@](C#N)(CSC1CCOCC1)C1CC1 ZINC000069094392 520224590 /nfs/dbraw/zinc/22/45/90/520224590.db2.gz NAVBRUHKPBURBP-CYBMUJFWSA-N 1 2 254.399 2.180 10 30 CEEELO CC[C@@H](C)[N@H+](CCOC)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069080335 522092364 /nfs/dbraw/zinc/09/23/64/522092364.db2.gz JJHWKMPEMIMMNC-ZBFHGGJFSA-N 1 2 281.444 2.404 10 30 CEEELO CC[C@@H](C)[N@@H+](CCOC)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069080335 522092375 /nfs/dbraw/zinc/09/23/75/522092375.db2.gz JJHWKMPEMIMMNC-ZBFHGGJFSA-N 1 2 281.444 2.404 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCSc1nnc2ccccn21 ZINC000061407856 522406970 /nfs/dbraw/zinc/40/69/70/522406970.db2.gz SPLQDYLWVVZYIS-CYBMUJFWSA-N 1 2 275.381 2.103 10 30 CEEELO CC[C@H](C)[N@H+](CCOC)C[C@](C#N)(NC1CC1)C1CC1 ZINC000069080356 523938715 /nfs/dbraw/zinc/93/87/15/523938715.db2.gz AHMZYHZLAXQMSR-BBRMVZONSA-N 1 2 279.428 2.158 10 30 CEEELO CC[C@H](C)[N@@H+](CCOC)C[C@](C#N)(NC1CC1)C1CC1 ZINC000069080356 523938718 /nfs/dbraw/zinc/93/87/18/523938718.db2.gz AHMZYHZLAXQMSR-BBRMVZONSA-N 1 2 279.428 2.158 10 30 CEEELO C[C@]([NH3+])(C#N)CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471713 525142795 /nfs/dbraw/zinc/14/27/95/525142795.db2.gz DQQSRUWTNLXMEE-LLVKDONJSA-N 1 2 269.688 2.258 10 30 CEEELO COc1ccc2[nH]c(SC[C@@]([NH3+])(C#N)C3CC3)nc2c1 ZINC000069091333 525680172 /nfs/dbraw/zinc/68/01/72/525680172.db2.gz UXVMJSIPRAOPCL-AWEZNQCLSA-N 1 2 288.376 2.295 10 30 CEEELO C[C@@]([NH3+])(C#N)CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471716 525744384 /nfs/dbraw/zinc/74/43/84/525744384.db2.gz DQQSRUWTNLXMEE-NSHDSACASA-N 1 2 269.688 2.258 10 30 CEEELO N#CC[C@@H](c1ccccc1)[NH+]1CCC(CC(N)=O)CC1 ZINC000055020534 526480187 /nfs/dbraw/zinc/48/01/87/526480187.db2.gz BZDTULJPTYHDTO-HNNXBMFYSA-N 1 2 271.364 2.229 10 30 CEEELO N#Cc1ccc(NC(=O)Nc2ccc(N)[nH+]c2)cc1 ZINC000061680637 526656743 /nfs/dbraw/zinc/65/67/43/526656743.db2.gz VWIOSHQCDSOSRE-UHFFFAOYSA-N 1 2 253.265 2.179 10 30 CEEELO Cc1occc1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328646030 344757780 /nfs/dbraw/zinc/75/77/80/344757780.db2.gz ZXUUYTVYHZUUCN-NSHDSACASA-N 1 2 259.309 2.352 10 30 CEEELO Cc1ccncc1NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000328627363 344756409 /nfs/dbraw/zinc/75/64/09/344756409.db2.gz MSKRSWPMMSTIIM-ZDUSSCGKSA-N 1 2 299.378 2.326 10 30 CEEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)c1ccc2n[nH]cc2c1 ZINC000328626921 344756636 /nfs/dbraw/zinc/75/66/36/344756636.db2.gz MEMMZHVADBIKJJ-LLVKDONJSA-N 1 2 295.346 2.327 10 30 CEEELO COCCc1ccc(O[C@H](C)C[C@@](C)([NH3+])C#N)cc1 ZINC000084303824 178851141 /nfs/dbraw/zinc/85/11/41/178851141.db2.gz JVCIJSFUMRQOJL-IUODEOHRSA-N 1 2 262.353 2.274 10 30 CEEELO C#CC[NH2+][C@]1(C(=O)OCC)CCC[C@H](C(F)(F)F)C1 ZINC000085130914 178954062 /nfs/dbraw/zinc/95/40/62/178954062.db2.gz RVRKEUKMRMXORK-CMPLNLGQSA-N 1 2 277.286 2.264 10 30 CEEELO Cc1noc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)n1 ZINC000086037312 179221628 /nfs/dbraw/zinc/22/16/28/179221628.db2.gz FFZBPRSRWVHMNE-UHFFFAOYSA-N 1 2 268.320 2.092 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCSc1nc(C)c(C)c(C)n1 ZINC000086644617 179315829 /nfs/dbraw/zinc/31/58/29/179315829.db2.gz RQMQBMSJPKWXGM-CYBMUJFWSA-N 1 2 264.398 2.386 10 30 CEEELO C#CC[NH2+][C@@]1(C(=O)OC)CCC[C@H](C(C)C)CC1 ZINC000086950106 179368595 /nfs/dbraw/zinc/36/85/95/179368595.db2.gz XUKRMOZJOLXJJA-ZFWWWQNUSA-N 1 2 251.370 2.357 10 30 CEEELO COC(=O)c1cc(NCc2cccc(C#N)c2)cc[nH+]1 ZINC000090737292 180034499 /nfs/dbraw/zinc/03/44/99/180034499.db2.gz XHFBSRZUFYEWMK-UHFFFAOYSA-N 1 2 267.288 2.352 10 30 CEEELO CC(C)(C)c1ccc(OCCN2CC[NH2+]C[C@H]2C#N)cc1 ZINC000091748950 180245861 /nfs/dbraw/zinc/24/58/61/180245861.db2.gz VKGNUMJNBFKAFX-OAHLLOKOSA-N 1 2 287.407 2.160 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000091748087 180244881 /nfs/dbraw/zinc/24/48/81/180244881.db2.gz SQTXQWKVVBEMLV-GFCCVEGCSA-N 1 2 269.270 2.003 10 30 CEEELO Cc1cc(NC(=O)c2sccc2C#CCO)cc[nH+]1 ZINC000092365912 180369451 /nfs/dbraw/zinc/36/94/51/180369451.db2.gz VJJVYLNXUZRIST-UHFFFAOYSA-N 1 2 272.329 2.048 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000109454771 186254375 /nfs/dbraw/zinc/25/43/75/186254375.db2.gz SNLJIQKBRCPOGM-OAHLLOKOSA-N 1 2 286.354 2.117 10 30 CEEELO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000177593076 189059047 /nfs/dbraw/zinc/05/90/47/189059047.db2.gz CSMASFQSEOIEKE-LBPRGKRZSA-N 1 2 273.365 2.144 10 30 CEEELO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000061891046 394569147 /nfs/dbraw/zinc/56/91/47/394569147.db2.gz CREGSZYYISDEBL-FZMZJTMJSA-N 1 2 260.337 2.486 10 30 CEEELO CCN(CC)c1ccc(C=[NH+]Nc2n[nH]c(=S)[nH]2)cc1 ZINC000005927757 170156360 /nfs/dbraw/zinc/15/63/60/170156360.db2.gz BDJZJIIHASPHDF-NTEUORMPSA-N 1 2 290.396 2.386 10 30 CEEELO CCN(CC)c1ccc(C=[NH+]NC2N=NC(=S)N2)cc1 ZINC000005927757 170156362 /nfs/dbraw/zinc/15/63/62/170156362.db2.gz BDJZJIIHASPHDF-NTEUORMPSA-N 1 2 290.396 2.386 10 30 CEEELO CC1(C)Cc2cccc(OCCC/C(N)=[NH+]/O)c2O1 ZINC000019505881 170817933 /nfs/dbraw/zinc/81/79/33/170817933.db2.gz VTNBRBYWIAASQI-UHFFFAOYSA-N 1 2 264.325 2.306 10 30 CEEELO N#CC1(C(=O)NCCCn2cc[nH+]c2)CCCCCC1 ZINC000044765412 175249129 /nfs/dbraw/zinc/24/91/29/175249129.db2.gz AYUKUHSPFJTCCT-UHFFFAOYSA-N 1 2 274.368 2.254 10 30 CEEELO CN[C@@](C)(C#N)CCn1cc[nH+]c1-c1ccccc1 ZINC000045207074 175328303 /nfs/dbraw/zinc/32/83/03/175328303.db2.gz GAXWUESBYPNTPN-OAHLLOKOSA-N 1 2 254.337 2.442 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCn1cc(Br)cn1 ZINC000045207055 175328366 /nfs/dbraw/zinc/32/83/66/175328366.db2.gz LOWCZYVONJIHQW-LLVKDONJSA-N 1 2 285.189 2.318 10 30 CEEELO CCCCOCCOCC[C@@](C)(C#N)[NH2+]C(C)C ZINC000045207604 175328805 /nfs/dbraw/zinc/32/88/05/175328805.db2.gz OTEOQIATXTXKPQ-AWEZNQCLSA-N 1 2 256.390 2.490 10 30 CEEELO CCN[C@@H](C#N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000045308539 175356710 /nfs/dbraw/zinc/35/67/10/175356710.db2.gz YDRTUWYYLRNBMY-KRWDZBQOSA-N 1 2 271.408 2.443 10 30 CEEELO CCC(CC)[N@H+](CCOC)C[C@@H](C#N)NC(C)C ZINC000045319497 175359381 /nfs/dbraw/zinc/35/93/81/175359381.db2.gz CPXCKELGDZGITF-CYBMUJFWSA-N 1 2 255.406 2.014 10 30 CEEELO CCC(CC)[N@@H+](CCOC)C[C@@H](C#N)NC(C)C ZINC000045319497 175359382 /nfs/dbraw/zinc/35/93/82/175359382.db2.gz CPXCKELGDZGITF-CYBMUJFWSA-N 1 2 255.406 2.014 10 30 CEEELO CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccncc1 ZINC000329867825 280133692 /nfs/dbraw/zinc/13/36/92/280133692.db2.gz WQFWIFCERUDWQQ-GJZGRUSLSA-N 1 2 291.395 2.108 10 30 CEEELO CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccncc1 ZINC000329867825 280133694 /nfs/dbraw/zinc/13/36/94/280133694.db2.gz WQFWIFCERUDWQQ-GJZGRUSLSA-N 1 2 291.395 2.108 10 30 CEEELO CC[NH2+][C@](C#N)(CN1CCOc2ccccc2C1)C1CC1 ZINC000069083417 520223854 /nfs/dbraw/zinc/22/38/54/520223854.db2.gz YZAPTNZKCILBAX-QGZVFWFLSA-N 1 2 285.391 2.163 10 30 CEEELO COc1ccc(N(C)CC[C@H](C#N)[NH2+]C(C)C)cc1 ZINC000062438278 524353734 /nfs/dbraw/zinc/35/37/34/524353734.db2.gz GMHKMHBXRAMOGC-CYBMUJFWSA-N 1 2 261.369 2.412 10 30 CEEELO N#Cc1cccc(NC(=O)Nc2ccc(N)[nH+]c2)c1 ZINC000061680620 526720997 /nfs/dbraw/zinc/72/09/97/526720997.db2.gz XDJDLZOQSFDGDF-UHFFFAOYSA-N 1 2 253.265 2.179 10 30 CEEELO C=CC[N@@H+](CC(=O)OCC)C[C@@H]1Cc2ccccc21 ZINC000157399182 639487342 /nfs/dbraw/zinc/48/73/42/639487342.db2.gz VUTMOMVSHDLSGV-AWEZNQCLSA-N 1 2 259.349 2.377 10 30 CEEELO C=CC[N@H+](CC(=O)OCC)C[C@@H]1Cc2ccccc21 ZINC000157399182 639487345 /nfs/dbraw/zinc/48/73/45/639487345.db2.gz VUTMOMVSHDLSGV-AWEZNQCLSA-N 1 2 259.349 2.377 10 30 CEEELO N/[NH+]=C/c1cc(Br)cc(Br)c1N ZINC000306567743 344714617 /nfs/dbraw/zinc/71/46/17/344714617.db2.gz SWGVBLSNGMBXGI-KGVSQERTSA-N 1 2 292.962 2.086 10 30 CEEELO Cc1cccc(NC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328645421 344758139 /nfs/dbraw/zinc/75/81/39/344758139.db2.gz ZQKJKODDTIPZJT-ZDUSSCGKSA-N 1 2 299.378 2.326 10 30 CEEELO C[C@H](C(=O)NC[C@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000328614255 344755952 /nfs/dbraw/zinc/75/59/52/344755952.db2.gz ADKKCKIQODGZHM-STQMWFEESA-N 1 2 291.395 2.465 10 30 CEEELO C[NH2+][C@@](C)(C#N)C[C@@H](C)Sc1cc(C)nn1C ZINC000084311848 178854562 /nfs/dbraw/zinc/85/45/62/178854562.db2.gz RQIGMQGDNCEWND-ZYHUDNBSSA-N 1 2 252.387 2.101 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1ccccc1C(F)(F)F ZINC000091749150 180245775 /nfs/dbraw/zinc/24/57/75/180245775.db2.gz FHTODPXYKDOWFK-LLVKDONJSA-N 1 2 269.270 2.003 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1[C@H](c1ccccc1)C(F)(F)F ZINC000091748720 180246040 /nfs/dbraw/zinc/24/60/40/180246040.db2.gz TVHBCRWWCIRPRN-NWDGAFQWSA-N 1 2 269.270 2.087 10 30 CEEELO CCn1c[nH+]cc1[C@H](O)[C@]1(C#N)COc2ccccc2C1 ZINC000091904403 180283515 /nfs/dbraw/zinc/28/35/15/180283515.db2.gz YJYDCCYPFMAHMG-JKSUJKDBSA-N 1 2 283.331 2.081 10 30 CEEELO C=CC[NH2+]Cc1nc([C@H]2COc3ccccc3C2)no1 ZINC000092465064 180391416 /nfs/dbraw/zinc/39/14/16/180391416.db2.gz WYCHKZSNSPQUCA-GFCCVEGCSA-N 1 2 271.320 2.064 10 30 CEEELO CCC[C@H](C#N)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000109456531 186253602 /nfs/dbraw/zinc/25/36/02/186253602.db2.gz JJIRBSFUJRDZGT-QGZVFWFLSA-N 1 2 282.391 2.368 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000109454846 186253993 /nfs/dbraw/zinc/25/39/93/186253993.db2.gz JEBAKNCFTLVFBX-AWEZNQCLSA-N 1 2 288.351 2.015 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000109454576 186254424 /nfs/dbraw/zinc/25/44/24/186254424.db2.gz IKMKWKJKRALNDI-OAHLLOKOSA-N 1 2 286.354 2.117 10 30 CEEELO C#CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161110042 188508503 /nfs/dbraw/zinc/50/85/03/188508503.db2.gz CSNBSORCRDOZMS-CHWSQXEVSA-N 1 2 269.266 2.446 10 30 CEEELO C#CC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161110042 188508504 /nfs/dbraw/zinc/50/85/04/188508504.db2.gz CSNBSORCRDOZMS-CHWSQXEVSA-N 1 2 269.266 2.446 10 30 CEEELO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000195519417 370137063 /nfs/dbraw/zinc/13/70/63/370137063.db2.gz QVKZKJXIAQNGIZ-KBPBESRZSA-N 1 2 287.367 2.076 10 30 CEEELO Cc1nc(C[C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000195519417 370137068 /nfs/dbraw/zinc/13/70/68/370137068.db2.gz QVKZKJXIAQNGIZ-KBPBESRZSA-N 1 2 287.367 2.076 10 30 CEEELO C[C@@H]1C[NH+](Cc2cc(F)cc(C#CCCO)c2)C[C@@H](C)O1 ZINC000093981337 184747933 /nfs/dbraw/zinc/74/79/33/184747933.db2.gz ZJYZGHWOOOGPMY-ZIAGYGMSSA-N 1 2 291.366 2.169 10 30 CEEELO Cc1cccc2c(N3CCO[C@H](C#N)C3)cc[nH+]c12 ZINC000301669273 394463866 /nfs/dbraw/zinc/46/38/66/394463866.db2.gz NDTGARYRQRHNNY-GFCCVEGCSA-N 1 2 253.305 2.272 10 30 CEEELO CC[N@@H+](Cc1cc(C#CCO)cs1)C[C@@H](C)C#N ZINC000043698686 175097062 /nfs/dbraw/zinc/09/70/62/175097062.db2.gz ZENZEOSNRUZHJA-LBPRGKRZSA-N 1 2 262.378 2.073 10 30 CEEELO CC[N@H+](Cc1cc(C#CCO)cs1)C[C@@H](C)C#N ZINC000043698686 175097063 /nfs/dbraw/zinc/09/70/63/175097063.db2.gz ZENZEOSNRUZHJA-LBPRGKRZSA-N 1 2 262.378 2.073 10 30 CEEELO COCC[N@H+](C[C@@](N)(C#N)c1ccccc1)[C@@H](C)C1CC1 ZINC000045182581 175325481 /nfs/dbraw/zinc/32/54/81/175325481.db2.gz WZLAFBZTLUSZCM-YOEHRIQHSA-N 1 2 287.407 2.111 10 30 CEEELO COCC[N@@H+](C[C@@](N)(C#N)c1ccccc1)[C@@H](C)C1CC1 ZINC000045182581 175325482 /nfs/dbraw/zinc/32/54/82/175325482.db2.gz WZLAFBZTLUSZCM-YOEHRIQHSA-N 1 2 287.407 2.111 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCSc1nnc2n1CCCCC2 ZINC000045218698 175330385 /nfs/dbraw/zinc/33/03/85/175330385.db2.gz IFBPOVGSXXJSJL-CQSZACIVSA-N 1 2 293.440 2.378 10 30 CEEELO Cc1cc2[nH+]cn(C[C@@H](C#N)NC3CC3)c2cc1C ZINC000045321243 175358966 /nfs/dbraw/zinc/35/89/66/175358966.db2.gz KUGDBLIJQRDCEA-CYBMUJFWSA-N 1 2 254.337 2.297 10 30 CEEELO CCCN[C@H](C#N)Cn1cc[nH+]c1-c1ccccc1 ZINC000045322439 175359662 /nfs/dbraw/zinc/35/96/62/175359662.db2.gz HSRANWYHWAOZJZ-CQSZACIVSA-N 1 2 254.337 2.442 10 30 CEEELO C=CC[NH2+][C@@](C)(Cc1ccc(OC)cc1)C(=O)OCC ZINC000071169784 176050317 /nfs/dbraw/zinc/05/03/17/176050317.db2.gz DLOFIDMCEJXCNK-INIZCTEOSA-N 1 2 277.364 2.335 10 30 CEEELO COCC[N@H+](CCC#N)Cc1ccc(Cl)c(N)c1 ZINC000071221692 176087562 /nfs/dbraw/zinc/08/75/62/176087562.db2.gz ISJQGJNBJQJGMF-UHFFFAOYSA-N 1 2 267.760 2.284 10 30 CEEELO COCC[N@@H+](CCC#N)Cc1ccc(Cl)c(N)c1 ZINC000071221692 176087564 /nfs/dbraw/zinc/08/75/64/176087564.db2.gz ISJQGJNBJQJGMF-UHFFFAOYSA-N 1 2 267.760 2.284 10 30 CEEELO C#CC[N@@H+](Cc1nnc(C2CC2)n1C)C1CCCC1 ZINC000155853883 327398340 /nfs/dbraw/zinc/39/83/40/327398340.db2.gz BVAJDLUXMMMJNC-UHFFFAOYSA-N 1 2 258.369 2.070 10 30 CEEELO C#CC[N@H+](Cc1nnc(C2CC2)n1C)C1CCCC1 ZINC000155853883 327398341 /nfs/dbraw/zinc/39/83/41/327398341.db2.gz BVAJDLUXMMMJNC-UHFFFAOYSA-N 1 2 258.369 2.070 10 30 CEEELO CCC[NH2+][C@](C#N)(Cn1nc(C)c(C)c1C)C1CC1 ZINC000069084412 520099207 /nfs/dbraw/zinc/09/92/07/520099207.db2.gz JXTWUBHQDAQLPM-OAHLLOKOSA-N 1 2 260.385 2.480 10 30 CEEELO CCOc1ccc2[nH]c(SCC[C@H]([NH3+])C#N)nc2c1 ZINC000062452907 521308677 /nfs/dbraw/zinc/30/86/77/521308677.db2.gz QWIZHRYVQKTJOW-VIFPVBQESA-N 1 2 276.365 2.295 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCn1nc(C)c(Cl)c1C ZINC000050588022 522512058 /nfs/dbraw/zinc/51/20/58/522512058.db2.gz PIGFLIWBXXNBNB-LBPRGKRZSA-N 1 2 254.765 2.435 10 30 CEEELO C[C@@H](C[C@@](C)([NH3+])C#N)Oc1cc(F)c([N+](=O)[O-])cc1F ZINC000068623632 524848931 /nfs/dbraw/zinc/84/89/31/524848931.db2.gz RICUNYOKBCNJRU-JVXZTZIISA-N 1 2 285.250 2.271 10 30 CEEELO C[C@@H](C[C@](C)([NH3+])C#N)Oc1cc(F)c([N+](=O)[O-])cc1F ZINC000068623629 524861331 /nfs/dbraw/zinc/86/13/31/524861331.db2.gz RICUNYOKBCNJRU-MADCSZMMSA-N 1 2 285.250 2.271 10 30 CEEELO N#Cc1cccc(Oc2nc(Cl)nc(-n3cc[nH+]c3)n2)c1 ZINC000061520729 526729220 /nfs/dbraw/zinc/72/92/20/526729220.db2.gz BPWWKTAJHXQFMV-UHFFFAOYSA-N 1 2 298.693 2.375 10 30 CEEELO N#Cc1ncccc1Cn1cc[nH+]c1-c1ccc(N)cc1 ZINC000061659109 526792151 /nfs/dbraw/zinc/79/21/51/526792151.db2.gz JDOHNLDFNUDHLM-UHFFFAOYSA-N 1 2 275.315 2.447 10 30 CEEELO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896910814 630793081 /nfs/dbraw/zinc/79/30/81/630793081.db2.gz YTDONUYATVKHJM-JSGCOSHPSA-N 1 2 277.368 2.014 10 30 CEEELO C#CC[N@@H+](C)Cc1cc(N)ccc1Br ZINC000130346825 344351946 /nfs/dbraw/zinc/35/19/46/344351946.db2.gz BJCQDTWXEOIRTC-UHFFFAOYSA-N 1 2 253.143 2.096 10 30 CEEELO C#CC[N@H+](C)Cc1cc(N)ccc1Br ZINC000130346825 344351949 /nfs/dbraw/zinc/35/19/49/344351949.db2.gz BJCQDTWXEOIRTC-UHFFFAOYSA-N 1 2 253.143 2.096 10 30 CEEELO C[C@H](C(=O)NC[C@@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000328614254 344755775 /nfs/dbraw/zinc/75/57/75/344755775.db2.gz ADKKCKIQODGZHM-QWHCGFSZSA-N 1 2 291.395 2.465 10 30 CEEELO Cc1ccc(C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)c(C)n1 ZINC000328619585 344755798 /nfs/dbraw/zinc/75/57/98/344755798.db2.gz GBSTWYQLIUPVQV-CYBMUJFWSA-N 1 2 284.363 2.462 10 30 CEEELO COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000061891486 362697577 /nfs/dbraw/zinc/69/75/77/362697577.db2.gz PMEDTCKTMCHQOV-SMDDNHRTSA-N 1 2 260.337 2.486 10 30 CEEELO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1OC ZINC000061891254 362697711 /nfs/dbraw/zinc/69/77/11/362697711.db2.gz RXVZHGKGTMBJIQ-WCQYABFASA-N 1 2 260.337 2.486 10 30 CEEELO CCn1cc[nH+]c1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000129252314 365839945 /nfs/dbraw/zinc/83/99/45/365839945.db2.gz MQKOTQJDLUTMPB-UHFFFAOYSA-N 1 2 292.346 2.390 10 30 CEEELO COc1ccc(C#N)cc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000130384162 365950060 /nfs/dbraw/zinc/95/00/60/365950060.db2.gz GXTRYHYULZAMCO-RYUDHWBXSA-N 1 2 260.337 2.176 10 30 CEEELO CCC[C@@H](C)NC(=O)C[NH+]1CCC(C#N)(SC)CC1 ZINC000091475008 180165190 /nfs/dbraw/zinc/16/51/90/180165190.db2.gz QJRQDJADKJXIQJ-GFCCVEGCSA-N 1 2 283.441 2.012 10 30 CEEELO Cn1c[nH+]cc1[C@@H](O)[C@]1(C#N)CCc2ccccc2C1 ZINC000091904322 180282911 /nfs/dbraw/zinc/28/29/11/180282911.db2.gz IPGNYPXEXAVBKX-HZPDHXFCSA-N 1 2 267.332 2.152 10 30 CEEELO Cc1cnn([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000105904331 186087206 /nfs/dbraw/zinc/08/72/06/186087206.db2.gz YVCRIYDCQURLHT-GJZGRUSLSA-N 1 2 271.368 2.272 10 30 CEEELO Cc1cnn([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000105904331 186087208 /nfs/dbraw/zinc/08/72/08/186087208.db2.gz YVCRIYDCQURLHT-GJZGRUSLSA-N 1 2 271.368 2.272 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000109454441 186253861 /nfs/dbraw/zinc/25/38/61/186253861.db2.gz HCVPNYFVKVSIJN-OAHLLOKOSA-N 1 2 261.344 2.245 10 30 CEEELO CCC[C@@H](C#N)N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000109456759 186254021 /nfs/dbraw/zinc/25/40/21/186254021.db2.gz RQOMDEMIZPXHTO-KRWDZBQOSA-N 1 2 282.391 2.368 10 30 CEEELO COc1cccn2c(N)c(-c3cccc(C#N)c3)[nH+]c12 ZINC000110782885 186324720 /nfs/dbraw/zinc/32/47/20/186324720.db2.gz SOJLFEAOTNQQNN-UHFFFAOYSA-N 1 2 264.288 2.464 10 30 CEEELO N#Cc1cccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177789491 189069491 /nfs/dbraw/zinc/06/94/91/189069491.db2.gz SSGGANACHYLFKQ-OAHLLOKOSA-N 1 2 280.331 2.060 10 30 CEEELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000186577061 368998457 /nfs/dbraw/zinc/99/84/57/368998457.db2.gz FWAYVQSIAIHDNZ-CQSZACIVSA-N 1 2 291.782 2.264 10 30 CEEELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000186577061 368998460 /nfs/dbraw/zinc/99/84/60/368998460.db2.gz FWAYVQSIAIHDNZ-CQSZACIVSA-N 1 2 291.782 2.264 10 30 CEEELO Cc1cc(NCCCc2cc[nH]n2)c(C#N)c(C)[nH+]1 ZINC000302749630 379444222 /nfs/dbraw/zinc/44/42/22/379444222.db2.gz GNJLGPHARHZHSP-UHFFFAOYSA-N 1 2 255.325 2.338 10 30 CEEELO Cc1nc(C)n(CC[C@H]2CCC[C@]2(C#N)[NH2+]C2CC2)n1 ZINC000093576200 184692227 /nfs/dbraw/zinc/69/22/27/184692227.db2.gz FMUHPJBSGWTBMI-UKRRQHHQSA-N 1 2 273.384 2.100 10 30 CEEELO C[C@]([NH3+])(C#N)CCOc1cccc2c1OC(C)(C)C2 ZINC000045210684 175328812 /nfs/dbraw/zinc/32/88/12/175328812.db2.gz GRTKLEJMOPZILL-OAHLLOKOSA-N 1 2 260.337 2.410 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCn1ccc(C(F)(F)F)n1 ZINC000045207198 175328862 /nfs/dbraw/zinc/32/88/62/175328862.db2.gz SNFNDECRIOSTTL-JTQLQIEISA-N 1 2 260.263 2.184 10 30 CEEELO COc1ccc2nc(SCC[C@@](C)([NH3+])C#N)[nH]c2c1 ZINC000045218747 175329903 /nfs/dbraw/zinc/32/99/03/175329903.db2.gz BRNNKBLSXGGRJE-CYBMUJFWSA-N 1 2 276.365 2.295 10 30 CEEELO CN[C@@H](C#N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000045308533 175356398 /nfs/dbraw/zinc/35/63/98/175356398.db2.gz YQEVHOMGJNETER-INIZCTEOSA-N 1 2 257.381 2.053 10 30 CEEELO COCCCOCCCC[C@](C)(C#N)[NH2+]C(C)C ZINC000045323207 175359873 /nfs/dbraw/zinc/35/98/73/175359873.db2.gz UUJPMFKOSAHROY-CQSZACIVSA-N 1 2 256.390 2.490 10 30 CEEELO CCCc1cc(=O)[nH]c(SCCC[C@@](C)(C#N)[NH2+]C)n1 ZINC000045364308 175362576 /nfs/dbraw/zinc/36/25/76/175362576.db2.gz QXCVKGAMVBMJFA-AWEZNQCLSA-N 1 2 294.424 2.096 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCSc1nnc(C)s1 ZINC000045366118 175362647 /nfs/dbraw/zinc/36/26/47/175362647.db2.gz JLTVCAFXTAUQMD-SNVBAGLBSA-N 1 2 256.400 2.221 10 30 CEEELO Cn1ccnc1CNC1=[NH+][C@@H](c2ccccc2)CS1 ZINC000071274575 176106354 /nfs/dbraw/zinc/10/63/54/176106354.db2.gz HDRJUXVYVUXRJC-GFCCVEGCSA-N 1 2 272.377 2.354 10 30 CEEELO CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329382393 280391074 /nfs/dbraw/zinc/39/10/74/280391074.db2.gz OKSHSVKDMZNXIH-YRGRVCCFSA-N 1 2 277.368 2.216 10 30 CEEELO CCC[NH2+][C@H](C#N)CCSc1nnc2n1CCCCC2 ZINC000062454504 520061970 /nfs/dbraw/zinc/06/19/70/520061970.db2.gz SFJDDVBKLDQBJW-LBPRGKRZSA-N 1 2 293.440 2.378 10 30 CEEELO CC[N@@H+](C[C@@](C#N)(NC(C)C)C1CC1)[C@@H](C)COC ZINC000069079310 521232984 /nfs/dbraw/zinc/23/29/84/521232984.db2.gz BVRJFQOIXVIXBK-DZGCQCFKSA-N 1 2 267.417 2.014 10 30 CEEELO CC[N@H+](C[C@@](C#N)(NC(C)C)C1CC1)[C@@H](C)COC ZINC000069079310 521232974 /nfs/dbraw/zinc/23/29/74/521232974.db2.gz BVRJFQOIXVIXBK-DZGCQCFKSA-N 1 2 267.417 2.014 10 30 CEEELO CC[N@H+](Cc1ccncc1)Cc1cccnc1C#N ZINC000061664437 521420575 /nfs/dbraw/zinc/42/05/75/521420575.db2.gz JFJGXMNAPBOODB-UHFFFAOYSA-N 1 2 252.321 2.370 10 30 CEEELO CC[N@@H+](Cc1ccncc1)Cc1cccnc1C#N ZINC000061664437 521420580 /nfs/dbraw/zinc/42/05/80/521420580.db2.gz JFJGXMNAPBOODB-UHFFFAOYSA-N 1 2 252.321 2.370 10 30 CEEELO CC[C@@H]1CO[C@H](C)CN1C[C@](C#N)([NH2+]C(C)C)C1CC1 ZINC000069080414 523517535 /nfs/dbraw/zinc/51/75/35/523517535.db2.gz WWCVFYXYERVFHM-BMFZPTHFSA-N 1 2 279.428 2.156 10 30 CEEELO Cc1cc(C)c(OC[C@]([NH3+])(C#N)C2CC2)c([N+](=O)[O-])c1 ZINC000069089077 524311539 /nfs/dbraw/zinc/31/15/39/524311539.db2.gz AFQUPFCEPRVJDW-CQSZACIVSA-N 1 2 275.308 2.222 10 30 CEEELO Cc1cnc(SCC[C@H](C#N)[NH2+]C(C)C)nc1 ZINC000062457717 526101838 /nfs/dbraw/zinc/10/18/38/526101838.db2.gz ZMDUPBRTISOIGQ-LLVKDONJSA-N 1 2 250.371 2.157 10 30 CEEELO Cc1[nH+]cn(-c2ccc(/C(N)=N/O)cc2Cl)c1C ZINC000062794799 527460287 /nfs/dbraw/zinc/46/02/87/527460287.db2.gz UIXCVKDVUAHLKH-UHFFFAOYSA-N 1 2 264.716 2.237 10 30 CEEELO COC[C@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000227593737 136387776 /nfs/dbraw/zinc/38/77/76/136387776.db2.gz VPIRKCBMUHJIDG-ZDUSSCGKSA-N 1 2 259.353 2.433 10 30 CEEELO O=C(NC[C@H]1CCn2cc[nH+]c2C1)c1cnc2ccccn21 ZINC000328630482 344756331 /nfs/dbraw/zinc/75/63/31/344756331.db2.gz PXZUGQGHFJUILM-LBPRGKRZSA-N 1 2 295.346 2.098 10 30 CEEELO OC[C@H](Cc1ccccc1)/[NH+]=C/c1ccc(O)cc1 ZINC000584596421 344961114 /nfs/dbraw/zinc/96/11/14/344961114.db2.gz CDZGHMYAMBQADZ-VUVCFOEZSA-N 1 2 255.317 2.415 10 30 CEEELO CCc1nnc([C@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)[nH]1 ZINC000129223791 365837403 /nfs/dbraw/zinc/83/74/03/365837403.db2.gz MLWFYKIFLYVFBS-GFCCVEGCSA-N 1 2 291.399 2.070 10 30 CEEELO CCc1nnc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)[nH]1 ZINC000129223791 365837410 /nfs/dbraw/zinc/83/74/10/365837410.db2.gz MLWFYKIFLYVFBS-GFCCVEGCSA-N 1 2 291.399 2.070 10 30 CEEELO CCc1nc([C@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)n[nH]1 ZINC000129223791 365837417 /nfs/dbraw/zinc/83/74/17/365837417.db2.gz MLWFYKIFLYVFBS-GFCCVEGCSA-N 1 2 291.399 2.070 10 30 CEEELO CCc1nc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)n[nH]1 ZINC000129223791 365837421 /nfs/dbraw/zinc/83/74/21/365837421.db2.gz MLWFYKIFLYVFBS-GFCCVEGCSA-N 1 2 291.399 2.070 10 30 CEEELO CSc1cc2c(cc1C[NH2+]C[C@H](C)C#N)OCCO2 ZINC000086506714 179303188 /nfs/dbraw/zinc/30/31/88/179303188.db2.gz JZCUHTMAEVJFDL-SNVBAGLBSA-N 1 2 278.377 2.429 10 30 CEEELO CCC(CC)NC(=O)C[NH+]1CCC(C#N)(SC)CC1 ZINC000091476854 180165927 /nfs/dbraw/zinc/16/59/27/180165927.db2.gz DLIVSFQXLNTNCS-UHFFFAOYSA-N 1 2 283.441 2.012 10 30 CEEELO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccnc1C#N ZINC000092331976 180364666 /nfs/dbraw/zinc/36/46/66/180364666.db2.gz LMRDHKANDIEIKI-SECBINFHSA-N 1 2 256.309 2.409 10 30 CEEELO Cc1cc(NC(=O)c2cc(C#CCO)ccc2F)cc[nH+]1 ZINC000092365879 180369048 /nfs/dbraw/zinc/36/90/48/180369048.db2.gz UKCLRFXVFYGQHK-UHFFFAOYSA-N 1 2 284.290 2.125 10 30 CEEELO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000105899338 283098339 /nfs/dbraw/zinc/09/83/39/283098339.db2.gz XDIWINCKQBSEMA-OAHLLOKOSA-N 1 2 285.326 2.126 10 30 CEEELO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000105899338 283098345 /nfs/dbraw/zinc/09/83/45/283098345.db2.gz XDIWINCKQBSEMA-OAHLLOKOSA-N 1 2 285.326 2.126 10 30 CEEELO C#CCCCC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000192104449 369774375 /nfs/dbraw/zinc/77/43/75/369774375.db2.gz TVBXPHBMFPTQEE-UHFFFAOYSA-N 1 2 273.380 2.232 10 30 CEEELO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=[NH+]\C ZINC000252481911 371442807 /nfs/dbraw/zinc/44/28/07/371442807.db2.gz CVDDSGDBSCUPFP-BNUBCSQOSA-N 1 2 299.168 2.011 10 30 CEEELO Cc1cc(N2CCC[C@H](c3nncn3C)C2)c(C#N)c(C)[nH+]1 ZINC000301782844 379302000 /nfs/dbraw/zinc/30/20/00/379302000.db2.gz NQDYWBPCTOVKCL-ZDUSSCGKSA-N 1 2 296.378 2.083 10 30 CEEELO CC[NH2+][C@]1(C#N)CC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC000093805189 184723984 /nfs/dbraw/zinc/72/39/84/184723984.db2.gz OAKDJXFNOGOOJI-UONOGXRCSA-N 1 2 275.308 2.398 10 30 CEEELO N#CCSCCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000173891343 395116966 /nfs/dbraw/zinc/11/69/66/395116966.db2.gz OHJROYHSBHJZOP-NSHDSACASA-N 1 2 283.422 2.163 10 30 CEEELO N#CCSCCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000173891343 395116969 /nfs/dbraw/zinc/11/69/69/395116969.db2.gz OHJROYHSBHJZOP-NSHDSACASA-N 1 2 283.422 2.163 10 30 CEEELO N#CCc1cccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177748977 395155946 /nfs/dbraw/zinc/15/59/46/395155946.db2.gz DFUBICCJLUAZRC-MRXNPFEDSA-N 1 2 294.358 2.254 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCSc1cnn(C)c1 ZINC000045220900 175330338 /nfs/dbraw/zinc/33/03/38/175330338.db2.gz URAXLOKFZUMSBG-GFCCVEGCSA-N 1 2 252.387 2.184 10 30 CEEELO C[NH+](C)CCCN1C(=O)c2c(cc(F)c(F)c2F)C1C#N ZINC000071680101 176244609 /nfs/dbraw/zinc/24/46/09/176244609.db2.gz PQPKQRAWFXAOSZ-JTQLQIEISA-N 1 2 297.280 2.076 10 30 CEEELO C[NH+](C)CCCN1C(=O)c2c(cc(F)c(F)c2F)[C@@H]1C#N ZINC000071680101 176244611 /nfs/dbraw/zinc/24/46/11/176244611.db2.gz PQPKQRAWFXAOSZ-JTQLQIEISA-N 1 2 297.280 2.076 10 30 CEEELO CC#CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000135542879 328521643 /nfs/dbraw/zinc/52/16/43/328521643.db2.gz VIMTXYLYLCWCBV-ZDUSSCGKSA-N 1 2 282.347 2.256 10 30 CEEELO CCCCCCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750849 329138467 /nfs/dbraw/zinc/13/84/67/329138467.db2.gz UUICQPOWJMOGHU-HNNXBMFYSA-N 1 2 282.428 2.280 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1c(OC)cccc1OC ZINC000062444621 519985100 /nfs/dbraw/zinc/98/51/00/519985100.db2.gz YBWKMXQZSWCFKC-GFCCVEGCSA-N 1 2 278.352 2.364 10 30 CEEELO CC(C)[NH2+][C@@](C#N)(CN(C)C[C@@H]1CCCCO1)C1CC1 ZINC000069079356 519735144 /nfs/dbraw/zinc/73/51/44/519735144.db2.gz STJAXKSHYLKGKX-HOTGVXAUSA-N 1 2 279.428 2.158 10 30 CEEELO CCC[NH2+][C@](C#N)(CN(CC)CCOCC)C1CC1 ZINC000069083818 520100555 /nfs/dbraw/zinc/10/05/55/520100555.db2.gz OLGLJTOSBLHBRD-OAHLLOKOSA-N 1 2 267.417 2.017 10 30 CEEELO CCCN[C@](C#N)(C[N@H+](CC)CCOCC)C1CC1 ZINC000069083818 520100560 /nfs/dbraw/zinc/10/05/60/520100560.db2.gz OLGLJTOSBLHBRD-OAHLLOKOSA-N 1 2 267.417 2.017 10 30 CEEELO CCCN[C@](C#N)(C[N@@H+](CC)CCOCC)C1CC1 ZINC000069083818 520100567 /nfs/dbraw/zinc/10/05/67/520100567.db2.gz OLGLJTOSBLHBRD-OAHLLOKOSA-N 1 2 267.417 2.017 10 30 CEEELO C[N@H+](CC/C(N)=N/O)Cc1c(F)cccc1Cl ZINC000049345337 522592344 /nfs/dbraw/zinc/59/23/44/522592344.db2.gz FSMLXMLKMYUEDF-UHFFFAOYSA-N 1 2 259.712 2.047 10 30 CEEELO C[N@@H+](CC/C(N)=N/O)Cc1c(F)cccc1Cl ZINC000049345337 522592352 /nfs/dbraw/zinc/59/23/52/522592352.db2.gz FSMLXMLKMYUEDF-UHFFFAOYSA-N 1 2 259.712 2.047 10 30 CEEELO CC[C@H]1CO[C@@H](C)CN1C[C@](C#N)([NH2+]C(C)C)C1CC1 ZINC000069080420 523343073 /nfs/dbraw/zinc/34/30/73/523343073.db2.gz WWCVFYXYERVFHM-BPUTZDHNSA-N 1 2 279.428 2.156 10 30 CEEELO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@]([NH3+])(C#N)C1CC1 ZINC000069089359 525556099 /nfs/dbraw/zinc/55/60/99/525556099.db2.gz AYKDXIUCZLIPDW-AWEZNQCLSA-N 1 2 275.308 2.222 10 30 CEEELO N#Cc1cccc(NC(=O)Nc2cc[nH+]cc2N)c1 ZINC000062726020 526720478 /nfs/dbraw/zinc/72/04/78/526720478.db2.gz YAGHVQVCXPIMRA-UHFFFAOYSA-N 1 2 253.265 2.179 10 30 CEEELO Cc1[nH+]c2ccccc2n1CC[C@H](C#N)NC1CC1 ZINC000062439932 527171456 /nfs/dbraw/zinc/17/14/56/527171456.db2.gz RVYAZGAZXWTHHZ-CYBMUJFWSA-N 1 2 254.337 2.379 10 30 CEEELO CC[NH2+][C@@]1(C#N)CC[C@@H](Sc2nncs2)C1 ZINC000086624250 179312227 /nfs/dbraw/zinc/31/22/27/179312227.db2.gz MIFPLZSMTUACTF-SCZZXKLOSA-N 1 2 254.384 2.055 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCCSc1nnc(N(C)C)s1 ZINC000111316652 186396403 /nfs/dbraw/zinc/39/64/03/186396403.db2.gz BAIMTNZQKZDGOP-GFCCVEGCSA-N 1 2 299.469 2.368 10 30 CEEELO N#CC[N@@H+](C[C@H](O)COCc1ccccc1)C1CCCC1 ZINC000078003454 363548503 /nfs/dbraw/zinc/54/85/03/363548503.db2.gz HDIZYFOKAIGFEZ-KRWDZBQOSA-N 1 2 288.391 2.332 10 30 CEEELO N#CC[N@H+](C[C@H](O)COCc1ccccc1)C1CCCC1 ZINC000078003454 363548507 /nfs/dbraw/zinc/54/85/07/363548507.db2.gz HDIZYFOKAIGFEZ-KRWDZBQOSA-N 1 2 288.391 2.332 10 30 CEEELO Cc1cc(N2CCC(C)(CO)CC2)c(C#N)c(C)[nH+]1 ZINC000302168006 201377615 /nfs/dbraw/zinc/37/76/15/201377615.db2.gz SHWNJGXGZNESGP-UHFFFAOYSA-N 1 2 259.353 2.169 10 30 CEEELO C=C(Br)C[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161412605 367084809 /nfs/dbraw/zinc/08/48/09/367084809.db2.gz XIAWCNMJRMTRMP-NSHDSACASA-N 1 2 299.216 2.386 10 30 CEEELO C=C(Br)C[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161412605 367084813 /nfs/dbraw/zinc/08/48/13/367084813.db2.gz XIAWCNMJRMTRMP-NSHDSACASA-N 1 2 299.216 2.386 10 30 CEEELO COCC1=CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000162550827 367169961 /nfs/dbraw/zinc/16/99/61/367169961.db2.gz LBKBGOVJXYRKLP-UHFFFAOYSA-N 1 2 257.337 2.353 10 30 CEEELO COc1cc(C[NH2+]CCC#N)cc(Br)c1O ZINC000020199374 171063095 /nfs/dbraw/zinc/06/30/95/171063095.db2.gz OUIBTPBURRMMAU-UHFFFAOYSA-N 1 2 285.141 2.167 10 30 CEEELO CC[N@@H+](Cc1cc(C#CCCO)cs1)C[C@@H](C)C#N ZINC000043698688 175096924 /nfs/dbraw/zinc/09/69/24/175096924.db2.gz CEGCIUSIKFJXFK-ZDUSSCGKSA-N 1 2 276.405 2.464 10 30 CEEELO CC[N@H+](Cc1cc(C#CCCO)cs1)C[C@@H](C)C#N ZINC000043698688 175096925 /nfs/dbraw/zinc/09/69/25/175096925.db2.gz CEGCIUSIKFJXFK-ZDUSSCGKSA-N 1 2 276.405 2.464 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCOc1cccc(CO)c1 ZINC000045215597 175329650 /nfs/dbraw/zinc/32/96/50/175329650.db2.gz OIRKOYUXWRUIQA-OAHLLOKOSA-N 1 2 262.353 2.228 10 30 CEEELO CC(C)N[C@H](C#N)Cn1cc[nH+]c1-c1ccccc1 ZINC000045322444 175359626 /nfs/dbraw/zinc/35/96/26/175359626.db2.gz HOHBXMDWDQDMRE-CQSZACIVSA-N 1 2 254.337 2.440 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCCOC1CCOCC1 ZINC000045332036 175360354 /nfs/dbraw/zinc/36/03/54/175360354.db2.gz CQJQHQOBHYKLQY-CQSZACIVSA-N 1 2 254.374 2.242 10 30 CEEELO CCc1[nH+]c2ccccc2n1CC[C@@](C)(C#N)NC ZINC000062807911 522500310 /nfs/dbraw/zinc/50/03/10/522500310.db2.gz JOXSHTPLQAECTD-HNNXBMFYSA-N 1 2 256.353 2.490 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCSc1nc(CCC)cc(=O)[nH]1 ZINC000062454223 519985291 /nfs/dbraw/zinc/98/52/91/519985291.db2.gz CIUZMMZWYSMZPH-GFCCVEGCSA-N 1 2 294.424 2.096 10 30 CEEELO CC[C@H](CC#N)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000054183410 522086900 /nfs/dbraw/zinc/08/69/00/522086900.db2.gz BTYVLXWJAYCCBJ-DGCLKSJQSA-N 1 2 296.367 2.326 10 30 CEEELO O=C(NCCNc1nc(C2CC2)[nH+]c2c1CCC2)C1CC1 ZINC000329074602 534753360 /nfs/dbraw/zinc/75/33/60/534753360.db2.gz BNSIJFYKGMMZOS-UHFFFAOYSA-N 1 2 286.379 2.043 10 30 CEEELO N#Cc1ccc(N2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000062793867 526646210 /nfs/dbraw/zinc/64/62/10/526646210.db2.gz LBPSOBWPQILSPP-UHFFFAOYSA-N 1 2 258.712 2.428 10 30 CEEELO N#Cc1ccc(OCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC000052755745 526677334 /nfs/dbraw/zinc/67/73/34/526677334.db2.gz JQRAKAYJEHJYFF-UHFFFAOYSA-N 1 2 270.248 2.023 10 30 CEEELO C=CC[N@@H+](CC(=O)OCC)C[C@H]1Cc2ccccc21 ZINC000157399337 639487430 /nfs/dbraw/zinc/48/74/30/639487430.db2.gz VUTMOMVSHDLSGV-CQSZACIVSA-N 1 2 259.349 2.377 10 30 CEEELO C=CC[N@H+](CC(=O)OCC)C[C@H]1Cc2ccccc21 ZINC000157399337 639487431 /nfs/dbraw/zinc/48/74/31/639487431.db2.gz VUTMOMVSHDLSGV-CQSZACIVSA-N 1 2 259.349 2.377 10 30 CEEELO CC(C)(C)OC(=O)N1CCC2(CC(/C(N)=[NH+]\O)C2)CC1 ZINC000118683738 344292443 /nfs/dbraw/zinc/29/24/43/344292443.db2.gz YREJSLIJOBPHRN-UHFFFAOYSA-N 1 2 283.372 2.160 10 30 CEEELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(C#N)c1)C2 ZINC000220614458 344538593 /nfs/dbraw/zinc/53/85/93/344538593.db2.gz IZYMWUWSONZMDH-LBPRGKRZSA-N 1 2 280.331 2.333 10 30 CEEELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(C#N)c1)CC2 ZINC000220614458 344538596 /nfs/dbraw/zinc/53/85/96/344538596.db2.gz IZYMWUWSONZMDH-LBPRGKRZSA-N 1 2 280.331 2.333 10 30 CEEELO Cc1ccoc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328634208 344757123 /nfs/dbraw/zinc/75/71/23/344757123.db2.gz TTXTVAOGKDLHQM-LLVKDONJSA-N 1 2 259.309 2.352 10 30 CEEELO Cc1ccc(NC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000328620083 344755510 /nfs/dbraw/zinc/75/55/10/344755510.db2.gz GPXRTSKQAYWDDW-CYBMUJFWSA-N 1 2 299.378 2.326 10 30 CEEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)c1cnc2ccccn21 ZINC000328630481 344756642 /nfs/dbraw/zinc/75/66/42/344756642.db2.gz PXZUGQGHFJUILM-GFCCVEGCSA-N 1 2 295.346 2.098 10 30 CEEELO C[NH2+][C@@]1(C#N)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000086604090 179311193 /nfs/dbraw/zinc/31/11/93/179311193.db2.gz JJTOUKYBQJMFJN-MNOVXSKESA-N 1 2 283.173 2.242 10 30 CEEELO CC(C)[NH2+][C@](C#N)(CSC[C@H](C)CO)C1CC1 ZINC000091258219 180115486 /nfs/dbraw/zinc/11/54/86/180115486.db2.gz YRGGYRBMCHWQKT-DGCLKSJQSA-N 1 2 256.415 2.018 10 30 CEEELO COc1ccc(Cl)cc1C[NH+]1CCN([C@H](C)C#N)CC1 ZINC000109453345 186254372 /nfs/dbraw/zinc/25/43/72/186254372.db2.gz VQLMJKFMLBYZRG-GFCCVEGCSA-N 1 2 293.798 2.378 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110513892 186300079 /nfs/dbraw/zinc/30/00/79/186300079.db2.gz KUOWGHLZDQYXHX-CQSZACIVSA-N 1 2 288.351 2.015 10 30 CEEELO N#C[C@@H]([NH3+])CCOc1ccc([N+](=O)[O-])c2ccccc12 ZINC000111128606 186356528 /nfs/dbraw/zinc/35/65/28/186356528.db2.gz ZHJDSKHAAZJQDI-JTQLQIEISA-N 1 2 271.276 2.368 10 30 CEEELO CCn1c(C)nnc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000195066848 370102488 /nfs/dbraw/zinc/10/24/88/370102488.db2.gz ZJBDFAFYNWFJTN-UHFFFAOYSA-N 1 2 269.352 2.110 10 30 CEEELO CCn1c(C)nnc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000195066848 370102495 /nfs/dbraw/zinc/10/24/95/370102495.db2.gz ZJBDFAFYNWFJTN-UHFFFAOYSA-N 1 2 269.352 2.110 10 30 CEEELO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000061891073 394569204 /nfs/dbraw/zinc/56/92/04/394569204.db2.gz BTVVBARPSCAOMI-WCQYABFASA-N 1 2 290.363 2.494 10 30 CEEELO Cc1cc(NCC[C@@H](C)[S@@](C)=O)c(C#N)c(C)[nH+]1 ZINC000158086118 395037847 /nfs/dbraw/zinc/03/78/47/395037847.db2.gz DOHFRJIQCLKCAK-MGNBDDOMSA-N 1 2 265.382 2.139 10 30 CEEELO Cc1csc([C@@H]2C[N@H+](CCCSCC#N)CCO2)n1 ZINC000173876176 395116719 /nfs/dbraw/zinc/11/67/19/395116719.db2.gz QVQVZHKWHPEQQD-LBPRGKRZSA-N 1 2 297.449 2.472 10 30 CEEELO Cc1csc([C@@H]2C[N@@H+](CCCSCC#N)CCO2)n1 ZINC000173876176 395116722 /nfs/dbraw/zinc/11/67/22/395116722.db2.gz QVQVZHKWHPEQQD-LBPRGKRZSA-N 1 2 297.449 2.472 10 30 CEEELO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nnc2n1CCCC2 ZINC000176978750 165182251 /nfs/dbraw/zinc/18/22/51/165182251.db2.gz LEXUMCLAPKSOAY-SNVBAGLBSA-N 1 2 287.392 2.398 10 30 CEEELO COC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC(C)(C)O1 ZINC000284435714 196054169 /nfs/dbraw/zinc/05/41/69/196054169.db2.gz BBJRYJLSDODWGN-CQSZACIVSA-N 1 2 292.354 2.323 10 30 CEEELO COC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC(C)(C)O1 ZINC000284435714 196054171 /nfs/dbraw/zinc/05/41/71/196054171.db2.gz BBJRYJLSDODWGN-CQSZACIVSA-N 1 2 292.354 2.323 10 30 CEEELO C[N@H+](Cc1cscn1)Cc1ccccc1C#CCO ZINC000042867824 174895616 /nfs/dbraw/zinc/89/56/16/174895616.db2.gz GJQPGOAAOCLJBV-UHFFFAOYSA-N 1 2 272.373 2.119 10 30 CEEELO C[N@@H+](Cc1cscn1)Cc1ccccc1C#CCO ZINC000042867824 174895618 /nfs/dbraw/zinc/89/56/18/174895618.db2.gz GJQPGOAAOCLJBV-UHFFFAOYSA-N 1 2 272.373 2.119 10 30 CEEELO CCCCOCCOCC[C@@](C)(C#N)[NH2+]CCC ZINC000045207602 175328682 /nfs/dbraw/zinc/32/86/82/175328682.db2.gz JERKMSMIYWKACN-AWEZNQCLSA-N 1 2 256.390 2.492 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCCOC[C@H]1CCOC1 ZINC000045332111 175360244 /nfs/dbraw/zinc/36/02/44/175360244.db2.gz MGUZDOSXUQEURU-KGLIPLIRSA-N 1 2 254.374 2.100 10 30 CEEELO C[C@@]1(C(=O)NCc2cn3c([nH+]2)CCCC3)CCCNC1=O ZINC000330327839 228147950 /nfs/dbraw/zinc/14/79/50/228147950.db2.gz VRPKVMCLXSGEJN-OAHLLOKOSA-N 1 2 290.367 2.433 10 30 CEEELO CCCNC(=O)[C@H](C)[NH2+][C@H](CC#N)c1ccccc1 ZINC000055018045 519892952 /nfs/dbraw/zinc/89/29/52/519892952.db2.gz VVRSWDXOTWQMPN-GXTWGEPZSA-N 1 2 259.353 2.146 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1ccc(C#N)cc1[N+](=O)[O-] ZINC000062449880 519984975 /nfs/dbraw/zinc/98/49/75/519984975.db2.gz CAMORHRLTBDBEU-GFCCVEGCSA-N 1 2 288.307 2.127 10 30 CEEELO CCC[NH2+][C@@](C#N)(CN(C)CC(F)(F)F)C1CC1 ZINC000069078727 520029322 /nfs/dbraw/zinc/02/93/22/520029322.db2.gz WKRPINULQONJGV-NSHDSACASA-N 1 2 263.307 2.152 10 30 CEEELO CCC[NH2+][C@@](C#N)(CN(CC)CCOCC)C1CC1 ZINC000069083820 520029838 /nfs/dbraw/zinc/02/98/38/520029838.db2.gz OLGLJTOSBLHBRD-HNNXBMFYSA-N 1 2 267.417 2.017 10 30 CEEELO CCCN[C@@](C#N)(C[N@H+](CC)CCOCC)C1CC1 ZINC000069083820 520029846 /nfs/dbraw/zinc/02/98/46/520029846.db2.gz OLGLJTOSBLHBRD-HNNXBMFYSA-N 1 2 267.417 2.017 10 30 CEEELO CCCN[C@@](C#N)(C[N@@H+](CC)CCOCC)C1CC1 ZINC000069083820 520029852 /nfs/dbraw/zinc/02/98/52/520029852.db2.gz OLGLJTOSBLHBRD-HNNXBMFYSA-N 1 2 267.417 2.017 10 30 CEEELO CCC[NH2+][C@@](C#N)(CSCCCOC)C1CC1 ZINC000069095071 520032906 /nfs/dbraw/zinc/03/29/06/520032906.db2.gz HFNUDJGGNHKAMX-ZDUSSCGKSA-N 1 2 256.415 2.428 10 30 CEEELO CCC[NH2+][C@H](C#N)CCN(C)c1cccc(OC)c1 ZINC000062438215 520059174 /nfs/dbraw/zinc/05/91/74/520059174.db2.gz OMYOGBXERUOCLN-ZDUSSCGKSA-N 1 2 261.369 2.413 10 30 CEEELO CC1(C)C[N@H+](Cc2ccc(C#CCCO)cc2F)CCO1 ZINC000049613248 520474869 /nfs/dbraw/zinc/47/48/69/520474869.db2.gz PRFKYISLTZPRDS-UHFFFAOYSA-N 1 2 291.366 2.170 10 30 CEEELO CC1(C)C[N@@H+](Cc2ccc(C#CCCO)cc2F)CCO1 ZINC000049613248 520474878 /nfs/dbraw/zinc/47/48/78/520474878.db2.gz PRFKYISLTZPRDS-UHFFFAOYSA-N 1 2 291.366 2.170 10 30 CEEELO CC[N@@H+](CCC#N)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816446 520980517 /nfs/dbraw/zinc/98/05/17/520980517.db2.gz LWRSHOAVZSCGMG-UHFFFAOYSA-N 1 2 262.313 2.372 10 30 CEEELO CC[N@H+](CCC#N)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816446 520980513 /nfs/dbraw/zinc/98/05/13/520980513.db2.gz LWRSHOAVZSCGMG-UHFFFAOYSA-N 1 2 262.313 2.372 10 30 CEEELO CCOC(=O)[C@@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000156551779 521121226 /nfs/dbraw/zinc/12/12/26/521121226.db2.gz AKTKNTBIZTUBAH-CYBMUJFWSA-N 1 2 287.363 2.350 10 30 CEEELO CCOC1CC[NH+](C[C@@](C#N)(NC(C)C)C2CC2)CC1 ZINC000069078877 521656048 /nfs/dbraw/zinc/65/60/48/521656048.db2.gz HJDNONNNGOHWGW-MRXNPFEDSA-N 1 2 279.428 2.158 10 30 CEEELO COc1cccc(N(C)CC[C@H](C#N)[NH2+]C(C)C)c1 ZINC000062438224 526131738 /nfs/dbraw/zinc/13/17/38/526131738.db2.gz PMDYCOIZQXICIE-CYBMUJFWSA-N 1 2 261.369 2.412 10 30 CEEELO Cc1nnc(SCC[C@@](C)(C#N)[NH2+]C(C)C)o1 ZINC000051038749 526385564 /nfs/dbraw/zinc/38/55/64/526385564.db2.gz ZKHAVHLUBRTPPW-NSHDSACASA-N 1 2 254.359 2.141 10 30 CEEELO N#C[C@@]([NH3+])(Cn1ccnc1-c1cccs1)C1CC1 ZINC000069084774 526502469 /nfs/dbraw/zinc/50/24/69/526502469.db2.gz GBCFHZQQPPZKFO-CYBMUJFWSA-N 1 2 258.350 2.243 10 30 CEEELO N#Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)ccn1 ZINC000227105829 344551847 /nfs/dbraw/zinc/55/18/47/344551847.db2.gz IPAAMXZZCUYZFC-HUUCEWRRSA-N 1 2 257.337 2.097 10 30 CEEELO N#Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)ccn1 ZINC000227105829 344551848 /nfs/dbraw/zinc/55/18/48/344551848.db2.gz IPAAMXZZCUYZFC-HUUCEWRRSA-N 1 2 257.337 2.097 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1c(Cl)cccc1Cl ZINC000091748056 180244865 /nfs/dbraw/zinc/24/48/65/180244865.db2.gz DFGCHNCBVPECQW-VIFPVBQESA-N 1 2 270.163 2.291 10 30 CEEELO C=CC[N@@H+](CCCOCC(F)(F)F)CC(=O)OCC ZINC000110072044 186283780 /nfs/dbraw/zinc/28/37/80/186283780.db2.gz GQUJPXAHWBUIOJ-UHFFFAOYSA-N 1 2 283.290 2.007 10 30 CEEELO C=CC[N@H+](CCCOCC(F)(F)F)CC(=O)OCC ZINC000110072044 186283782 /nfs/dbraw/zinc/28/37/82/186283782.db2.gz GQUJPXAHWBUIOJ-UHFFFAOYSA-N 1 2 283.290 2.007 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCn1c2ccccc2nc1CC#N ZINC000110952211 186336799 /nfs/dbraw/zinc/33/67/99/186336799.db2.gz XZBOAHXIYYJKOQ-CYBMUJFWSA-N 1 2 281.363 2.384 10 30 CEEELO CC(C)[NH2+][C@@H](C#N)CCn1c2ccccc2nc1CC#N ZINC000110952301 186337071 /nfs/dbraw/zinc/33/70/71/186337071.db2.gz JTNMUBWDEYGBHL-CYBMUJFWSA-N 1 2 281.363 2.383 10 30 CEEELO N#C[C@H]([NH3+])CCOc1ccc([N+](=O)[O-])c2ccccc12 ZINC000111128610 186356126 /nfs/dbraw/zinc/35/61/26/186356126.db2.gz ZHJDSKHAAZJQDI-SNVBAGLBSA-N 1 2 271.276 2.368 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCSc1nnc(N(C)C)s1 ZINC000111316615 186395852 /nfs/dbraw/zinc/39/58/52/186395852.db2.gz PIOSYBOXHRZXKD-LBPRGKRZSA-N 1 2 299.469 2.368 10 30 CEEELO C#CCOc1ccccc1C[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000177593333 189058990 /nfs/dbraw/zinc/05/89/90/189058990.db2.gz ZQYMOEOZRXTJMB-OAHLLOKOSA-N 1 2 296.374 2.223 10 30 CEEELO N#CCCCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171037988 367465421 /nfs/dbraw/zinc/46/54/21/367465421.db2.gz GXXPHWHYRJDNCG-LLVKDONJSA-N 1 2 251.355 2.210 10 30 CEEELO N#CCCCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171037988 367465426 /nfs/dbraw/zinc/46/54/26/367465426.db2.gz GXXPHWHYRJDNCG-LLVKDONJSA-N 1 2 251.355 2.210 10 30 CEEELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)o1 ZINC000246154870 370916586 /nfs/dbraw/zinc/91/65/86/370916586.db2.gz FOUWUKGJRKUXFQ-DFBGVHRSSA-N 1 2 288.347 2.457 10 30 CEEELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)o1 ZINC000246154870 370916588 /nfs/dbraw/zinc/91/65/88/370916588.db2.gz FOUWUKGJRKUXFQ-DFBGVHRSSA-N 1 2 288.347 2.457 10 30 CEEELO CC(C)c1nnc(C[N@H+](C)Cc2ccc(C#N)cc2)n1C ZINC000195066965 370102180 /nfs/dbraw/zinc/10/21/80/370102180.db2.gz WLIFFPPYQNDQJV-UHFFFAOYSA-N 1 2 283.379 2.442 10 30 CEEELO CC(C)c1nnc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1C ZINC000195066965 370102183 /nfs/dbraw/zinc/10/21/83/370102183.db2.gz WLIFFPPYQNDQJV-UHFFFAOYSA-N 1 2 283.379 2.442 10 30 CEEELO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=[NH+]/C ZINC000252481914 371442959 /nfs/dbraw/zinc/44/29/59/371442959.db2.gz CVDDSGDBSCUPFP-WPIAHNSYSA-N 1 2 299.168 2.011 10 30 CEEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)[C@@H](O)c1ccccc1 ZINC000328614299 376860774 /nfs/dbraw/zinc/86/07/74/376860774.db2.gz AFUXJQXUSZIYPL-DOMZBBRYSA-N 1 2 285.347 2.136 10 30 CEEELO CN[C@@](C)(C#N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000045175736 175323397 /nfs/dbraw/zinc/32/33/97/175323397.db2.gz CTRDCMPHAOGKPR-KRWDZBQOSA-N 1 2 271.408 2.443 10 30 CEEELO COCC[N@H+](C[C@@](C)(C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000045177471 175323448 /nfs/dbraw/zinc/32/34/48/175323448.db2.gz HYYHPDOOSCZVJY-DZGCQCFKSA-N 1 2 267.417 2.014 10 30 CEEELO COCC[N@@H+](C[C@@](C)(C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000045177471 175323449 /nfs/dbraw/zinc/32/34/49/175323449.db2.gz HYYHPDOOSCZVJY-DZGCQCFKSA-N 1 2 267.417 2.014 10 30 CEEELO CCN[C@](C#N)(C[N@H+](C)CC1CC1)c1ccccc1 ZINC000045181479 175324759 /nfs/dbraw/zinc/32/47/59/175324759.db2.gz KRSRMJXWRPKZBV-MRXNPFEDSA-N 1 2 257.381 2.357 10 30 CEEELO CCN[C@](C#N)(C[N@@H+](C)CC1CC1)c1ccccc1 ZINC000045181479 175324761 /nfs/dbraw/zinc/32/47/61/175324761.db2.gz KRSRMJXWRPKZBV-MRXNPFEDSA-N 1 2 257.381 2.357 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000045332391 175360868 /nfs/dbraw/zinc/36/08/68/175360868.db2.gz MRMUPDQTKAINCQ-ZDUSSCGKSA-N 1 2 281.287 2.395 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCCSc1cnn(C)c1 ZINC000045366940 175363057 /nfs/dbraw/zinc/36/30/57/175363057.db2.gz XOHFHLRUDUINSP-GFCCVEGCSA-N 1 2 252.387 2.184 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCSc1nnc(C)o1 ZINC000051038748 520032165 /nfs/dbraw/zinc/03/21/65/520032165.db2.gz BSZAXYGGAMPUSE-LLVKDONJSA-N 1 2 254.359 2.142 10 30 CEEELO CC(=O)N1CCC[N@@H+]([C@@H](CC#N)c2ccccc2)CC1 ZINC000055020606 519529824 /nfs/dbraw/zinc/52/98/24/519529824.db2.gz SVLRSWLYVBKPDL-INIZCTEOSA-N 1 2 271.364 2.196 10 30 CEEELO CC(=O)N1CCC[N@H+]([C@@H](CC#N)c2ccccc2)CC1 ZINC000055020606 519529832 /nfs/dbraw/zinc/52/98/32/519529832.db2.gz SVLRSWLYVBKPDL-INIZCTEOSA-N 1 2 271.364 2.196 10 30 CEEELO CC(=O)N1CCC[N@@H+]([C@H](CC#N)c2ccccc2)CC1 ZINC000055020607 519530134 /nfs/dbraw/zinc/53/01/34/519530134.db2.gz SVLRSWLYVBKPDL-MRXNPFEDSA-N 1 2 271.364 2.196 10 30 CEEELO CC(=O)N1CCC[N@H+]([C@H](CC#N)c2ccccc2)CC1 ZINC000055020607 519530139 /nfs/dbraw/zinc/53/01/39/519530139.db2.gz SVLRSWLYVBKPDL-MRXNPFEDSA-N 1 2 271.364 2.196 10 30 CEEELO CC(C)[N@H+](CCC#N)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817272 519641539 /nfs/dbraw/zinc/64/15/39/519641539.db2.gz OJIPEUGBQUWRED-UHFFFAOYSA-N 1 2 262.313 2.301 10 30 CEEELO CC(C)[N@@H+](CCC#N)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817272 519641540 /nfs/dbraw/zinc/64/15/40/519641540.db2.gz OJIPEUGBQUWRED-UHFFFAOYSA-N 1 2 262.313 2.301 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCN(C)c1ccccc1OC ZINC000062438192 519982544 /nfs/dbraw/zinc/98/25/44/519982544.db2.gz WUKMOTOKTGJGTP-CYBMUJFWSA-N 1 2 261.369 2.413 10 30 CEEELO CCC[NH2+][C@H](C#N)CCO[C@H]1CCC[C@H](OC)C1 ZINC000070333863 520059558 /nfs/dbraw/zinc/05/95/58/520059558.db2.gz DQZHUBTWCXXNCD-IHRRRGAJSA-N 1 2 254.374 2.242 10 30 CEEELO CCN[C@@](C)(C#N)Cn1c2ccccc2[nH+]c1CC ZINC000062807902 520131626 /nfs/dbraw/zinc/13/16/26/520131626.db2.gz LKXCSJKUODTIGC-HNNXBMFYSA-N 1 2 256.353 2.490 10 30 CEEELO CCCO[C@@H]1CCC[N@H+](Cc2cccnc2C#N)C1 ZINC000061664475 520273734 /nfs/dbraw/zinc/27/37/34/520273734.db2.gz AMPQKUYTRMCIRG-CQSZACIVSA-N 1 2 259.353 2.344 10 30 CEEELO CCCO[C@@H]1CCC[N@@H+](Cc2cccnc2C#N)C1 ZINC000061664475 520273743 /nfs/dbraw/zinc/27/37/43/520273743.db2.gz AMPQKUYTRMCIRG-CQSZACIVSA-N 1 2 259.353 2.344 10 30 CEEELO COCC[N@H+](CC(C)C)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069079510 523679848 /nfs/dbraw/zinc/67/98/48/523679848.db2.gz YPZNJMLRDMCIAD-INIZCTEOSA-N 1 2 281.444 2.261 10 30 CEEELO COCC[N@@H+](CC(C)C)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069079510 523679853 /nfs/dbraw/zinc/67/98/53/523679853.db2.gz YPZNJMLRDMCIAD-INIZCTEOSA-N 1 2 281.444 2.261 10 30 CEEELO N#C[C@]([NH3+])(COc1cccc2cccnc21)C1CC1 ZINC000069086459 526515190 /nfs/dbraw/zinc/51/51/90/526515190.db2.gz ZOSBGRIJRZZJMZ-HNNXBMFYSA-N 1 2 253.305 2.245 10 30 CEEELO N#Cc1cc(Sc2nc(N)cc(N)[nH+]2)nc2ccccc12 ZINC000068796814 526576556 /nfs/dbraw/zinc/57/65/56/526576556.db2.gz RAEOTJPCAIYVMI-UHFFFAOYSA-N 1 2 294.343 2.212 10 30 CEEELO N#Cc1ccc(OCc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000050833605 526677513 /nfs/dbraw/zinc/67/75/13/526677513.db2.gz MWQGFBQQQFKPCG-UHFFFAOYSA-N 1 2 270.248 2.023 10 30 CEEELO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000124768930 649737822 /nfs/dbraw/zinc/73/78/22/649737822.db2.gz MQMDNNDUUQYWIF-IUODEOHRSA-N 1 2 288.347 2.115 10 30 CEEELO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000124768930 649737823 /nfs/dbraw/zinc/73/78/23/649737823.db2.gz MQMDNNDUUQYWIF-IUODEOHRSA-N 1 2 288.347 2.115 10 30 CEEELO N#C[C@@]1(N2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000037355563 343426481 /nfs/dbraw/zinc/42/64/81/343426481.db2.gz YTCVUKTWKLYXQB-INIZCTEOSA-N 1 2 255.365 2.250 10 30 CEEELO N#C[C@@]1(N2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000037355563 343426484 /nfs/dbraw/zinc/42/64/84/343426484.db2.gz YTCVUKTWKLYXQB-INIZCTEOSA-N 1 2 255.365 2.250 10 30 CEEELO O=C[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000054236850 343587034 /nfs/dbraw/zinc/58/70/34/343587034.db2.gz QQQZZROANQZKOI-VIFPVBQESA-N 1 2 272.142 2.453 10 30 CEEELO O=C[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000054236850 343587035 /nfs/dbraw/zinc/58/70/35/343587035.db2.gz QQQZZROANQZKOI-VIFPVBQESA-N 1 2 272.142 2.453 10 30 CEEELO N#C[C@@]1(Cc2coc(Br)c2)CCC[NH2+]1 ZINC000307249756 344721107 /nfs/dbraw/zinc/72/11/07/344721107.db2.gz OVYVSJVZRGJZEG-JTQLQIEISA-N 1 2 255.115 2.230 10 30 CEEELO Cc1ccc([N+](=O)[O-])cc1O[C@H](C)C[C@@](C)([NH3+])C#N ZINC000084304684 178851567 /nfs/dbraw/zinc/85/15/67/178851567.db2.gz DJXCDDWYBKEBAP-ZWNOBZJWSA-N 1 2 263.297 2.302 10 30 CEEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000061891903 362697460 /nfs/dbraw/zinc/69/74/60/362697460.db2.gz UMFLIJPEVRCJIA-YPMHNXCESA-N 1 2 258.321 2.240 10 30 CEEELO CCn1c[nH+]cc1[C@@H](O)C1(C#N)Cc2ccccc2C1 ZINC000091904354 180283068 /nfs/dbraw/zinc/28/30/68/180283068.db2.gz RUOIDOWEZFOPDT-OAHLLOKOSA-N 1 2 267.332 2.245 10 30 CEEELO CCn1c[nH+]cc1[C@H](O)[C@]1(C#N)CCc2ccccc21 ZINC000091904389 180283122 /nfs/dbraw/zinc/28/31/22/180283122.db2.gz JKOMUZSQEBSOGT-HOTGVXAUSA-N 1 2 267.332 2.344 10 30 CEEELO Cn1c[nH+]cc1[C@@H](O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000091904324 180283328 /nfs/dbraw/zinc/28/33/28/180283328.db2.gz IPGNYPXEXAVBKX-CVEARBPZSA-N 1 2 267.332 2.152 10 30 CEEELO CCc1nn(C)cc1CNc1cc(C)[nH+]c(C)c1C#N ZINC000092959868 364124073 /nfs/dbraw/zinc/12/40/73/364124073.db2.gz WTYXKCQFGKIBBR-UHFFFAOYSA-N 1 2 269.352 2.478 10 30 CEEELO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000246055897 370903441 /nfs/dbraw/zinc/90/34/41/370903441.db2.gz VJAJJPIJEKHAGW-STQMWFEESA-N 1 2 282.409 2.152 10 30 CEEELO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000246055897 370903444 /nfs/dbraw/zinc/90/34/44/370903444.db2.gz VJAJJPIJEKHAGW-STQMWFEESA-N 1 2 282.409 2.152 10 30 CEEELO Cc1cc(NCCSCCCO)c(C#N)c(C)[nH+]1 ZINC000219763980 394460867 /nfs/dbraw/zinc/46/08/67/394460867.db2.gz LKMSCZDCBDVZFN-UHFFFAOYSA-N 1 2 265.382 2.098 10 30 CEEELO CN(C)/C=[NH+]/c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000100256650 394703993 /nfs/dbraw/zinc/70/39/93/394703993.db2.gz PCYWFDXYFUWDGD-IZZDOVSWSA-N 1 2 250.283 2.426 10 30 CEEELO N/C(CCCSc1ccccc1[N+](=O)[O-])=[NH+]\O ZINC000035286764 172105137 /nfs/dbraw/zinc/10/51/37/172105137.db2.gz MUBWOGFLISUVNF-UHFFFAOYSA-N 1 2 255.299 2.214 10 30 CEEELO N/C(CCCOc1ccc(Cl)cc1[N+](=O)[O-])=[NH+]\O ZINC000038081457 174090433 /nfs/dbraw/zinc/09/04/33/174090433.db2.gz UONRBKOSFJAQBX-UHFFFAOYSA-N 1 2 273.676 2.154 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCn1cc(Br)cn1 ZINC000045207054 175328166 /nfs/dbraw/zinc/32/81/66/175328166.db2.gz LOWCZYVONJIHQW-NSHDSACASA-N 1 2 285.189 2.318 10 30 CEEELO CCOCCOCCCC[C@@](C)(C#N)[NH2+]C(C)C ZINC000045325427 175359529 /nfs/dbraw/zinc/35/95/29/175359529.db2.gz MASKGWRLBGRYBE-AWEZNQCLSA-N 1 2 256.390 2.490 10 30 CEEELO CCC[NH2+][C@H](C#N)CCn1ccc(C(F)(F)F)n1 ZINC000062440585 520061217 /nfs/dbraw/zinc/06/12/17/520061217.db2.gz XYNYBVKVGGAVBO-VIFPVBQESA-N 1 2 260.263 2.184 10 30 CEEELO CCC[NH2+][C@H](C#N)CCN(C)c1ccccc1OC ZINC000062438190 520059433 /nfs/dbraw/zinc/05/94/33/520059433.db2.gz WUKMOTOKTGJGTP-ZDUSSCGKSA-N 1 2 261.369 2.413 10 30 CEEELO CCO[C@@H]1CCC[N@H+](C[C@](C#N)(NC(C)C)C2CC2)C1 ZINC000069081164 520321088 /nfs/dbraw/zinc/32/10/88/520321088.db2.gz CMSXQEYMLOXEPZ-CVEARBPZSA-N 1 2 279.428 2.158 10 30 CEEELO CCO[C@@H]1CCC[N@@H+](C[C@](C#N)(NC(C)C)C2CC2)C1 ZINC000069081164 520321100 /nfs/dbraw/zinc/32/11/00/520321100.db2.gz CMSXQEYMLOXEPZ-CVEARBPZSA-N 1 2 279.428 2.158 10 30 CEEELO CN[C@](C#N)(Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000069084148 522511459 /nfs/dbraw/zinc/51/14/59/522511459.db2.gz VVLQCRILXQTKSD-OAHLLOKOSA-N 1 2 254.337 2.237 10 30 CEEELO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000125030314 365665361 /nfs/dbraw/zinc/66/53/61/365665361.db2.gz VJAJJPIJEKHAGW-OLZOCXBDSA-N 1 2 282.409 2.152 10 30 CEEELO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000125030314 365665363 /nfs/dbraw/zinc/66/53/63/365665363.db2.gz VJAJJPIJEKHAGW-OLZOCXBDSA-N 1 2 282.409 2.152 10 30 CEEELO Cc1ccc(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)c(C)n1 ZINC000328619586 344755533 /nfs/dbraw/zinc/75/55/33/344755533.db2.gz GBSTWYQLIUPVQV-ZDUSSCGKSA-N 1 2 284.363 2.462 10 30 CEEELO O=C(NC[C@H]1CCn2cc[nH+]c2C1)C1=COCCC1 ZINC000328614232 344755538 /nfs/dbraw/zinc/75/55/38/344755538.db2.gz ABYDEFBOHQWJQP-NSHDSACASA-N 1 2 261.325 2.096 10 30 CEEELO O=C(NCc1ccsc1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328616418 344755544 /nfs/dbraw/zinc/75/55/44/344755544.db2.gz BPZORISEWPLBCP-NSHDSACASA-N 1 2 290.392 2.211 10 30 CEEELO Cc1nc(NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)oc1C ZINC000328614593 344755849 /nfs/dbraw/zinc/75/58/49/344755849.db2.gz ALKADZXOKRXGSD-LLVKDONJSA-N 1 2 289.339 2.076 10 30 CEEELO Cc1ccc([N+](=O)[O-])cc1O[C@@H](C)C[C@](C)([NH3+])C#N ZINC000084304671 178851524 /nfs/dbraw/zinc/85/15/24/178851524.db2.gz DJXCDDWYBKEBAP-GWCFXTLKSA-N 1 2 263.297 2.302 10 30 CEEELO C#CC[NH2+][C@@]1(C(=O)OCC)CCC[C@@H](C(F)(F)F)C1 ZINC000085130916 178954039 /nfs/dbraw/zinc/95/40/39/178954039.db2.gz RVRKEUKMRMXORK-PWSUYJOCSA-N 1 2 277.286 2.264 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1CC12CC3CC(CC(C3)C1)C2 ZINC000091748029 180245137 /nfs/dbraw/zinc/24/51/37/180245137.db2.gz PQTJFXPBMZEYPP-DQGBIZLVSA-N 1 2 259.397 2.000 10 30 CEEELO CCCNc1cccc(CN(CCC#N)CCOC)[nH+]1 ZINC000092370710 180370291 /nfs/dbraw/zinc/37/02/91/180370291.db2.gz BUZCDQBDLONAHK-UHFFFAOYSA-N 1 2 276.384 2.266 10 30 CEEELO C[C@]([NH3+])(C#N)CSc1ccc(Br)cn1 ZINC000070615662 363101924 /nfs/dbraw/zinc/10/19/24/363101924.db2.gz NUMGISFPLIOFEF-VIFPVBQESA-N 1 2 272.171 2.177 10 30 CEEELO Cc1cc(Nc2ccc(CC(N)=O)cc2)c(C#N)c(C)[nH+]1 ZINC000301805107 201208692 /nfs/dbraw/zinc/20/86/92/201208692.db2.gz XLVCTWHCOFGLIG-UHFFFAOYSA-N 1 2 280.331 2.342 10 30 CEEELO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC(C)(C)O1 ZINC000343739160 367981503 /nfs/dbraw/zinc/98/15/03/367981503.db2.gz KFYVVIQQMOZMNF-CQSZACIVSA-N 1 2 292.354 2.323 10 30 CEEELO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC(C)(C)O1 ZINC000343739160 367981505 /nfs/dbraw/zinc/98/15/05/367981505.db2.gz KFYVVIQQMOZMNF-CQSZACIVSA-N 1 2 292.354 2.323 10 30 CEEELO N#Cc1csc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000176127321 368204703 /nfs/dbraw/zinc/20/47/03/368204703.db2.gz GLHZZPRYFJCFAG-GFCCVEGCSA-N 1 2 286.360 2.121 10 30 CEEELO CS[C@@H](CO)[C@@H](C)Nc1cc(C)[nH+]c(C)c1C#N ZINC000219764433 394460779 /nfs/dbraw/zinc/46/07/79/394460779.db2.gz FZNIREZYTZHWLU-MFKMUULPSA-N 1 2 265.382 2.094 10 30 CEEELO N#Cc1cccnc1-n1cc[nH+]c1-c1ccc(N)cc1 ZINC000040517002 174307527 /nfs/dbraw/zinc/30/75/27/174307527.db2.gz PZORIFOKEZWUML-UHFFFAOYSA-N 1 2 261.288 2.388 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2cc(C)ccn2)c1N ZINC000040701231 174379117 /nfs/dbraw/zinc/37/91/17/174379117.db2.gz IFHNPDDCVZYPSM-UHFFFAOYSA-N 1 2 256.313 2.104 10 30 CEEELO C=CCNc1[nH+]cnc(NNc2ccccc2)c1N ZINC000040708921 174380276 /nfs/dbraw/zinc/38/02/76/174380276.db2.gz WEGGYJZIJYQPIH-UHFFFAOYSA-N 1 2 256.313 2.096 10 30 CEEELO CCCCOCCOCC[C@](C)(C#N)[NH2+]C(C)C ZINC000045207605 175328990 /nfs/dbraw/zinc/32/89/90/175328990.db2.gz OTEOQIATXTXKPQ-CQSZACIVSA-N 1 2 256.390 2.490 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCOc1ccc(CO)cc1 ZINC000045215112 175329636 /nfs/dbraw/zinc/32/96/36/175329636.db2.gz SQHVPVFZBYOIFW-HNNXBMFYSA-N 1 2 262.353 2.228 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCCOCCOC(C)C ZINC000045326281 175359552 /nfs/dbraw/zinc/35/95/52/175359552.db2.gz GRPGBQGEYVAQSB-AWEZNQCLSA-N 1 2 256.390 2.490 10 30 CEEELO COCCCOCCCC[C@](C)(C#N)[NH2+]C1CC1 ZINC000045323211 175359583 /nfs/dbraw/zinc/35/95/83/175359583.db2.gz FDOZJADOUPKCIA-CQSZACIVSA-N 1 2 254.374 2.244 10 30 CEEELO C[NH+](C)CCN1C(=O)c2c(cccc2C(F)(F)F)[C@H]1C#N ZINC000071681112 176245758 /nfs/dbraw/zinc/24/57/58/176245758.db2.gz MRADQLWNBOBATD-LLVKDONJSA-N 1 2 297.280 2.287 10 30 CEEELO CC(C)[NH2+][C@@H](C#N)CCSc1nnc2n1CCCCC2 ZINC000062454572 519734380 /nfs/dbraw/zinc/73/43/80/519734380.db2.gz PJZGEESNPWBNQH-GFCCVEGCSA-N 1 2 293.440 2.377 10 30 CEEELO C#C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000186081973 518348808 /nfs/dbraw/zinc/34/88/08/518348808.db2.gz KRFQSQQPRBJQAM-OLZOCXBDSA-N 1 2 282.347 2.254 10 30 CEEELO CCCNC(=O)CC[NH2+][C@@H](CC#N)c1ccccc1 ZINC000055018737 519872685 /nfs/dbraw/zinc/87/26/85/519872685.db2.gz MTASYBZMPGLZKP-AWEZNQCLSA-N 1 2 259.353 2.147 10 30 CEEELO CCCCCCCCc1nc(N(C)C)nc(N)[nH+]1 ZINC000003160247 520049002 /nfs/dbraw/zinc/04/90/02/520049002.db2.gz OCKXLEOHYZYMOD-UHFFFAOYSA-N 1 2 251.378 2.423 10 30 CEEELO CCCCCCCCc1nc(N)nc(N(C)C)[nH+]1 ZINC000003160247 520049005 /nfs/dbraw/zinc/04/90/05/520049005.db2.gz OCKXLEOHYZYMOD-UHFFFAOYSA-N 1 2 251.378 2.423 10 30 CEEELO CCC[NH2+][C@H](C#N)CCN(CC(F)(F)F)C1CC1 ZINC000062435833 520059217 /nfs/dbraw/zinc/05/92/17/520059217.db2.gz XMOKCZNLIOUOGT-JTQLQIEISA-N 1 2 263.307 2.295 10 30 CEEELO CCCN[C@](C#N)(C[NH+]1CCC(OCC)CC1)C1CC1 ZINC000069078904 520099511 /nfs/dbraw/zinc/09/95/11/520099511.db2.gz MFWMCPGIDXLWPF-MRXNPFEDSA-N 1 2 279.428 2.159 10 30 CEEELO CCN[C@](C)(C#N)Cn1c2ccccc2[nH+]c1CC ZINC000062807901 520226940 /nfs/dbraw/zinc/22/69/40/520226940.db2.gz LKXCSJKUODTIGC-OAHLLOKOSA-N 1 2 256.353 2.490 10 30 CEEELO COCC1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000156545130 522938759 /nfs/dbraw/zinc/93/87/59/522938759.db2.gz OQQUVFNGNNYZDH-UHFFFAOYSA-N 1 2 259.353 2.433 10 30 CEEELO N#C[C@@H]([NH3+])CCSc1ccc(C(F)(F)F)cn1 ZINC000062454060 526495210 /nfs/dbraw/zinc/49/52/10/526495210.db2.gz SSENOZGGARRKEQ-QMMMGPOBSA-N 1 2 261.272 2.433 10 30 CEEELO N#Cc1ccc(Cl)cc1Sc1nc(N)cc(N)[nH+]1 ZINC000062790311 526636465 /nfs/dbraw/zinc/63/64/65/526636465.db2.gz HLMUUWXXDHHDCY-UHFFFAOYSA-N 1 2 277.740 2.317 10 30 CEEELO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000232579882 639935768 /nfs/dbraw/zinc/93/57/68/639935768.db2.gz GJVJZPNURBATNL-CYBMUJFWSA-N 1 2 260.312 2.498 10 30 CEEELO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000232579882 639935772 /nfs/dbraw/zinc/93/57/72/639935772.db2.gz GJVJZPNURBATNL-CYBMUJFWSA-N 1 2 260.312 2.498 10 30 CEEELO CC[NH2+][C@@](C)(C#N)C[C@@H](C)n1cc(Br)cn1 ZINC000082795281 178299949 /nfs/dbraw/zinc/29/99/49/178299949.db2.gz ZTWVDFSGSRTYHJ-MWLCHTKSSA-N 1 2 285.189 2.488 10 30 CEEELO CCc1nn(C)c(OC)c1CNc1cc(C)[nH+]c(C)c1C#N ZINC000092962526 344208561 /nfs/dbraw/zinc/20/85/61/344208561.db2.gz NJIJVLKAHYPKOP-UHFFFAOYSA-N 1 2 299.378 2.487 10 30 CEEELO Cc1ccnc(NC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000328619944 344755708 /nfs/dbraw/zinc/75/57/08/344755708.db2.gz GMZKWYVITHSGLK-ZDUSSCGKSA-N 1 2 299.378 2.326 10 30 CEEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)c1cccc2c[nH]nc21 ZINC000328628339 344756662 /nfs/dbraw/zinc/75/66/62/344756662.db2.gz NQBUURZDZPBMRW-LLVKDONJSA-N 1 2 295.346 2.327 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1ccccc1C(F)(F)F ZINC000091749149 180245843 /nfs/dbraw/zinc/24/58/43/180245843.db2.gz FHTODPXYKDOWFK-NSHDSACASA-N 1 2 269.270 2.003 10 30 CEEELO COC(=O)c1ccc([C@H](C)[N@H+](C)[C@@H](C)CC#N)o1 ZINC000091782514 180254619 /nfs/dbraw/zinc/25/46/19/180254619.db2.gz MLYVFPGKEVGZBH-UWVGGRQHSA-N 1 2 250.298 2.361 10 30 CEEELO COC(=O)c1ccc([C@H](C)[N@@H+](C)[C@@H](C)CC#N)o1 ZINC000091782514 180254620 /nfs/dbraw/zinc/25/46/20/180254620.db2.gz MLYVFPGKEVGZBH-UWVGGRQHSA-N 1 2 250.298 2.361 10 30 CEEELO C#CC[NH2+]Cc1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000092481453 180394565 /nfs/dbraw/zinc/39/45/65/180394565.db2.gz FEXJUYAMQRMRHS-UHFFFAOYSA-N 1 2 271.364 2.260 10 30 CEEELO C#CC[NH2+]CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000092493208 180396785 /nfs/dbraw/zinc/39/67/85/180396785.db2.gz YVMWTCNPQZNHCC-UHFFFAOYSA-N 1 2 284.363 2.022 10 30 CEEELO CC#CC[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000119134830 365222338 /nfs/dbraw/zinc/22/23/38/365222338.db2.gz ZQUYZSZVPYZKTC-UHFFFAOYSA-N 1 2 269.348 2.282 10 30 CEEELO Cc1nc(C[C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000249893000 371368815 /nfs/dbraw/zinc/36/88/15/371368815.db2.gz QVKZKJXIAQNGIZ-ZIAGYGMSSA-N 1 2 287.367 2.076 10 30 CEEELO Cc1nc(C[C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000249893000 371368818 /nfs/dbraw/zinc/36/88/18/371368818.db2.gz QVKZKJXIAQNGIZ-ZIAGYGMSSA-N 1 2 287.367 2.076 10 30 CEEELO N#Cc1ccc(Cl)cc1N1CCn2cc[nH+]c2C1 ZINC000062790113 394571281 /nfs/dbraw/zinc/57/12/81/394571281.db2.gz JRGSSMWAAWQNIP-UHFFFAOYSA-N 1 2 258.712 2.428 10 30 CEEELO CCCCOC[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405061369 395287962 /nfs/dbraw/zinc/28/79/62/395287962.db2.gz RMUZXPCOUVSVEM-HNNXBMFYSA-N 1 2 274.364 2.051 10 30 CEEELO CCCCOC[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405061369 395287964 /nfs/dbraw/zinc/28/79/64/395287964.db2.gz RMUZXPCOUVSVEM-HNNXBMFYSA-N 1 2 274.364 2.051 10 30 CEEELO COc1cc(C[NH2+]CCC#N)cc(Br)c1OC ZINC000035161410 172020724 /nfs/dbraw/zinc/02/07/24/172020724.db2.gz DGWUDGTWZRFJPR-UHFFFAOYSA-N 1 2 299.168 2.470 10 30 CEEELO CC(C)[N@H+](CCC#N)[C@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000042528504 174778353 /nfs/dbraw/zinc/77/83/53/174778353.db2.gz OMPQDXHVTCWGRW-LLVKDONJSA-N 1 2 292.358 2.359 10 30 CEEELO CC(C)[N@@H+](CCC#N)[C@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000042528504 174778354 /nfs/dbraw/zinc/77/83/54/174778354.db2.gz OMPQDXHVTCWGRW-LLVKDONJSA-N 1 2 292.358 2.359 10 30 CEEELO CC(C)[N@H+](C)C[C@@](C#N)(NC1CC1)c1ccccc1 ZINC000045179344 175324175 /nfs/dbraw/zinc/32/41/75/175324175.db2.gz AYWKNDBWEMZIGM-MRXNPFEDSA-N 1 2 257.381 2.498 10 30 CEEELO CC(C)[N@@H+](C)C[C@@](C#N)(NC1CC1)c1ccccc1 ZINC000045179344 175324177 /nfs/dbraw/zinc/32/41/77/175324177.db2.gz AYWKNDBWEMZIGM-MRXNPFEDSA-N 1 2 257.381 2.498 10 30 CEEELO CCC(CC)[N@H+](CCOC)C[C@](C)(C#N)NC(C)C ZINC000045177828 175324406 /nfs/dbraw/zinc/32/44/06/175324406.db2.gz KGRVJDOSFKZXIZ-HNNXBMFYSA-N 1 2 269.433 2.404 10 30 CEEELO CCC(CC)[N@@H+](CCOC)C[C@](C)(C#N)NC(C)C ZINC000045177828 175324408 /nfs/dbraw/zinc/32/44/08/175324408.db2.gz KGRVJDOSFKZXIZ-HNNXBMFYSA-N 1 2 269.433 2.404 10 30 CEEELO N#C[C@@](Cn1cc[nH+]c1)(NC1CC1)c1ccccc1 ZINC000045183634 175326020 /nfs/dbraw/zinc/32/60/20/175326020.db2.gz BDNXRFUKONANBP-HNNXBMFYSA-N 1 2 252.321 2.054 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCSc1ncccn1 ZINC000045219570 175330164 /nfs/dbraw/zinc/33/01/64/175330164.db2.gz MMPHCAQANLQPCS-GFCCVEGCSA-N 1 2 250.371 2.239 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000070940862 176014760 /nfs/dbraw/zinc/01/47/60/176014760.db2.gz CSYNGNQKNAMOEN-OAHLLOKOSA-N 1 2 261.344 2.245 10 30 CEEELO CCCN[C@@](C#N)(C[N@H+](CC)[C@@H](C)COC)C1CC1 ZINC000069079345 520028224 /nfs/dbraw/zinc/02/82/24/520028224.db2.gz LHCJXUITFGDOOS-ZFWWWQNUSA-N 1 2 267.417 2.015 10 30 CEEELO CCCN[C@@](C#N)(C[N@@H+](CC)[C@@H](C)COC)C1CC1 ZINC000069079345 520028230 /nfs/dbraw/zinc/02/82/30/520028230.db2.gz LHCJXUITFGDOOS-ZFWWWQNUSA-N 1 2 267.417 2.015 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000062450710 520059116 /nfs/dbraw/zinc/05/91/16/520059116.db2.gz LCHZSGDWYIKBHN-NSHDSACASA-N 1 2 281.287 2.395 10 30 CEEELO CCCN[C@](C#N)(C[N@H+](CCOC)CC(C)C)C1CC1 ZINC000069079531 520100638 /nfs/dbraw/zinc/10/06/38/520100638.db2.gz YFCUNWMFYMWQBS-MRXNPFEDSA-N 1 2 281.444 2.263 10 30 CEEELO CCCN[C@](C#N)(C[N@@H+](CCOC)CC(C)C)C1CC1 ZINC000069079531 520100642 /nfs/dbraw/zinc/10/06/42/520100642.db2.gz YFCUNWMFYMWQBS-MRXNPFEDSA-N 1 2 281.444 2.263 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCN(C)c1cccc(OC)c1 ZINC000049971430 520224970 /nfs/dbraw/zinc/22/49/70/520224970.db2.gz DHCPBTOCYROZBK-HNNXBMFYSA-N 1 2 261.369 2.413 10 30 CEEELO CCO[C@H]1CCC[N@H+](C[C@](C#N)(NC(C)C)C2CC2)C1 ZINC000069081167 520528403 /nfs/dbraw/zinc/52/84/03/520528403.db2.gz CMSXQEYMLOXEPZ-HOTGVXAUSA-N 1 2 279.428 2.158 10 30 CEEELO CCO[C@H]1CCC[N@@H+](C[C@](C#N)(NC(C)C)C2CC2)C1 ZINC000069081167 520528406 /nfs/dbraw/zinc/52/84/06/520528406.db2.gz CMSXQEYMLOXEPZ-HOTGVXAUSA-N 1 2 279.428 2.158 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCSc1nc(C)cc(C)n1 ZINC000051608243 522407071 /nfs/dbraw/zinc/40/70/71/522407071.db2.gz LUGUUHCLPWVEFM-GFCCVEGCSA-N 1 2 250.371 2.077 10 30 CEEELO COc1ccc([N@H+](C)CC2(C=O)CCOCC2)cc1 ZINC000052180216 524351149 /nfs/dbraw/zinc/35/11/49/524351149.db2.gz JTSJHSZWADQMLD-UHFFFAOYSA-N 1 2 263.337 2.127 10 30 CEEELO COc1ccc([N@@H+](C)CC2(C=O)CCOCC2)cc1 ZINC000052180216 524351154 /nfs/dbraw/zinc/35/11/54/524351154.db2.gz JTSJHSZWADQMLD-UHFFFAOYSA-N 1 2 263.337 2.127 10 30 CEEELO C[C@H]1CCc2ccccc2N1C[C@@]([NH3+])(C#N)C1CC1 ZINC000069075424 524442037 /nfs/dbraw/zinc/44/20/37/524442037.db2.gz DGYXFZVMJNATCV-LRDDRELGSA-N 1 2 255.365 2.459 10 30 CEEELO Cc1nnc(SCC[C@H](C#N)[NH2+]C(C)C)s1 ZINC000062456791 526385653 /nfs/dbraw/zinc/38/56/53/526385653.db2.gz RJGATGDYWDYKQT-SECBINFHSA-N 1 2 256.400 2.219 10 30 CEEELO N#C[C@@]([NH3+])(COc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000069088046 526503192 /nfs/dbraw/zinc/50/31/92/526503192.db2.gz IGJVFEMXHUCZGM-GFCCVEGCSA-N 1 2 281.699 2.258 10 30 CEEELO C[C@H](C/N=C\c1cc(Cl)ccc1O)[NH+]1CCOCC1 ZINC000255345984 623672149 /nfs/dbraw/zinc/67/21/49/623672149.db2.gz ZUXGJBTUZVXWEC-FFCYNSPCSA-N 1 2 282.771 2.185 10 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30 CEEELO CC(C)(C#N)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000110513912 186299858 /nfs/dbraw/zinc/29/98/58/186299858.db2.gz ZYYKWFVQSSSDEA-UHFFFAOYSA-N 1 2 288.351 2.015 10 30 CEEELO CC(C)(C)OC(=O)N1CC[C@]([NH3+])(C#N)CC1(C)C ZINC000575512410 366292595 /nfs/dbraw/zinc/29/25/95/366292595.db2.gz ODLCOMOWNZNIKJ-CYBMUJFWSA-N 1 2 253.346 2.017 10 30 CEEELO Cc1cc(N(C)C[C@@H]2CCC[C@@H]2O)c(C#N)c(C)[nH+]1 ZINC000301820063 201216767 /nfs/dbraw/zinc/21/67/67/201216767.db2.gz GECFESHFXPDNFE-WFASDCNBSA-N 1 2 259.353 2.167 10 30 CEEELO COc1cc(C#N)ccc1C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000121033783 365514633 /nfs/dbraw/zinc/51/46/33/365514633.db2.gz RFDXAWNFMDDVBE-TXEJJXNPSA-N 1 2 260.337 2.176 10 30 CEEELO COc1cc(C#N)ccc1C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000121033783 365514641 /nfs/dbraw/zinc/51/46/41/365514641.db2.gz RFDXAWNFMDDVBE-TXEJJXNPSA-N 1 2 260.337 2.176 10 30 CEEELO COC(=O)C[NH+]1CCC(C#N)(Cc2ccccc2)CC1 ZINC000219251019 370220983 /nfs/dbraw/zinc/22/09/83/370220983.db2.gz ZNXCDBLAHIWJNM-UHFFFAOYSA-N 1 2 272.348 2.008 10 30 CEEELO C[C@@H]1COC[C@H](C)[N@H+]1CCOc1ccccc1C#N ZINC000265913350 190216889 /nfs/dbraw/zinc/21/68/89/190216889.db2.gz YJCPIDGNVATGEI-BETUJISGSA-N 1 2 260.337 2.046 10 30 CEEELO C[C@@H]1COC[C@H](C)[N@@H+]1CCOc1ccccc1C#N ZINC000265913350 190216890 /nfs/dbraw/zinc/21/68/90/190216890.db2.gz YJCPIDGNVATGEI-BETUJISGSA-N 1 2 260.337 2.046 10 30 CEEELO C#CCn1cc(CN(C)c2nc(C)[nH+]c3c2CCCC3)cn1 ZINC000302076301 394472143 /nfs/dbraw/zinc/47/21/43/394472143.db2.gz HGJOIBNFPLTCKI-UHFFFAOYSA-N 1 2 295.390 2.130 10 30 CEEELO CSC[C@@](C)(O)CNc1cc(C)[nH+]c(C)c1C#N ZINC000219764263 153303385 /nfs/dbraw/zinc/30/33/85/153303385.db2.gz ITRCCGGLZYVUPS-ZDUSSCGKSA-N 1 2 265.382 2.096 10 30 CEEELO COC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC(C)(C)O1 ZINC000284435710 196054693 /nfs/dbraw/zinc/05/46/93/196054693.db2.gz BBJRYJLSDODWGN-AWEZNQCLSA-N 1 2 292.354 2.323 10 30 CEEELO COC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC(C)(C)O1 ZINC000284435710 196054694 /nfs/dbraw/zinc/05/46/94/196054694.db2.gz BBJRYJLSDODWGN-AWEZNQCLSA-N 1 2 292.354 2.323 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCOc1ccc(CO)cc1 ZINC000045215109 175329617 /nfs/dbraw/zinc/32/96/17/175329617.db2.gz UTUREQKWMPKGIQ-OAHLLOKOSA-N 1 2 262.353 2.230 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1ccc([N+](=O)[O-])cc1 ZINC000062449220 520061460 /nfs/dbraw/zinc/06/14/60/520061460.db2.gz PLJXUAMGGIJVSA-NSHDSACASA-N 1 2 263.297 2.255 10 30 CEEELO CC[C@@H](CC#N)N[C@@H](c1ccco1)c1[nH+]ccn1C ZINC000054183657 522466059 /nfs/dbraw/zinc/46/60/59/522466059.db2.gz YFUSHUUVYLTLDO-AAEUAGOBSA-N 1 2 258.325 2.384 10 30 CEEELO CC(C)[NH2+][C@@H](C#N)CCn1ccc(C(F)(F)F)n1 ZINC000062440613 519734319 /nfs/dbraw/zinc/73/43/19/519734319.db2.gz HAFKDOZCSJGCPO-SECBINFHSA-N 1 2 260.263 2.182 10 30 CEEELO CCCN[C@@](C#N)(C[N@@H+]1CCC[C@H](OCC)C1)C1CC1 ZINC000069081190 520029541 /nfs/dbraw/zinc/02/95/41/520029541.db2.gz CYXBZGDLKZKLGQ-HOTGVXAUSA-N 1 2 279.428 2.159 10 30 CEEELO CCCN[C@@](C#N)(C[N@H+]1CCC[C@H](OCC)C1)C1CC1 ZINC000069081190 520029552 /nfs/dbraw/zinc/02/95/52/520029552.db2.gz CYXBZGDLKZKLGQ-HOTGVXAUSA-N 1 2 279.428 2.159 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1ccc([N+](=O)[O-])cc1OC ZINC000062450317 520062265 /nfs/dbraw/zinc/06/22/65/520062265.db2.gz OKJWNYAQVBPZIA-NSHDSACASA-N 1 2 293.323 2.264 10 30 CEEELO CCOc1ccc2[nH]c(SCC[C@@H]([NH3+])C#N)nc2c1 ZINC000062452911 521308129 /nfs/dbraw/zinc/30/81/29/521308129.db2.gz QWIZHRYVQKTJOW-SECBINFHSA-N 1 2 276.365 2.295 10 30 CEEELO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049614727 523344080 /nfs/dbraw/zinc/34/40/80/523344080.db2.gz VUALHEZDRUYJCJ-BBRMVZONSA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049614727 523344088 /nfs/dbraw/zinc/34/40/88/523344088.db2.gz VUALHEZDRUYJCJ-BBRMVZONSA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000049614712 523518154 /nfs/dbraw/zinc/51/81/54/523518154.db2.gz JQMUBIWOUCBPSM-CXAGYDPISA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)cc1C#CCO ZINC000049614712 523518158 /nfs/dbraw/zinc/51/81/58/523518158.db2.gz JQMUBIWOUCBPSM-CXAGYDPISA-N 1 2 291.366 2.169 10 30 CEEELO C[C@H]1Cc2ccccc2N(C[C@@]([NH3+])(C#N)C2CC2)C1 ZINC000069083605 524986450 /nfs/dbraw/zinc/98/64/50/524986450.db2.gz IYONJCYGQYLZJH-LRDDRELGSA-N 1 2 255.365 2.316 10 30 CEEELO COc1ccc([N+](=O)[O-])cc1O[C@H](C)C[C@@](C)([NH3+])C#N ZINC000068622657 525472877 /nfs/dbraw/zinc/47/28/77/525472877.db2.gz YUPOMEFFNFGECK-NOZJJQNGSA-N 1 2 279.296 2.002 10 30 CEEELO Cc1cnc(C[NH2+]Cc2cc(C#N)ccc2F)cn1 ZINC000061321395 526040740 /nfs/dbraw/zinc/04/07/40/526040740.db2.gz WVLZNOAUFXZEFA-UHFFFAOYSA-N 1 2 256.284 2.086 10 30 CEEELO C=C1CC(C)(c2noc([C@H]3C[N@@H+](C)C[C@@H](C)O3)n2)C1 ZINC000896923455 630815587 /nfs/dbraw/zinc/81/55/87/630815587.db2.gz MTDVLRDCDWDUGX-GHMZBOCLSA-N 1 2 263.341 2.069 10 30 CEEELO C=C1CC(C)(c2noc([C@H]3C[N@H+](C)C[C@@H](C)O3)n2)C1 ZINC000896923455 630815592 /nfs/dbraw/zinc/81/55/92/630815592.db2.gz MTDVLRDCDWDUGX-GHMZBOCLSA-N 1 2 263.341 2.069 10 30 CEEELO CC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000232616889 639935500 /nfs/dbraw/zinc/93/55/00/639935500.db2.gz GJVJZPNURBATNL-ZDUSSCGKSA-N 1 2 260.312 2.498 10 30 CEEELO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000232616889 639935505 /nfs/dbraw/zinc/93/55/05/639935505.db2.gz GJVJZPNURBATNL-ZDUSSCGKSA-N 1 2 260.312 2.498 10 30 CEEELO N#Cc1ccccc1NC(=O)c1cccc2[nH+]ccn21 ZINC000082338474 177969712 /nfs/dbraw/zinc/96/97/12/177969712.db2.gz DVNYYBWGWMUVDV-UHFFFAOYSA-N 1 2 262.272 2.458 10 30 CEEELO C[NH2+][C@@](C)(C#N)C[C@@H](C)Sc1nnc(C)s1 ZINC000082797173 178301381 /nfs/dbraw/zinc/30/13/81/178301381.db2.gz VXCULKFOUVETGT-GMSGAONNSA-N 1 2 256.400 2.219 10 30 CEEELO Cc1cccc(NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000328635987 344757216 /nfs/dbraw/zinc/75/72/16/344757216.db2.gz VGKZDOGIMNDXFL-GFCCVEGCSA-N 1 2 285.351 2.175 10 30 CEEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@@H]1C1CC1 ZINC000328628899 344756216 /nfs/dbraw/zinc/75/62/16/344756216.db2.gz ODQDKLSPEOGRIW-RAIGVLPGSA-N 1 2 259.353 2.448 10 30 CEEELO Cc1oc(-c2cccs2)nc1CN1CC[NH2+]C[C@@H]1C#N ZINC000091748649 180246310 /nfs/dbraw/zinc/24/63/10/180246310.db2.gz LCILGJTYMMJOHA-NSHDSACASA-N 1 2 288.376 2.009 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2cc3ccccc3o2)no1 ZINC000092481490 180394732 /nfs/dbraw/zinc/39/47/32/180394732.db2.gz OBYRZMUOKSWYQS-UHFFFAOYSA-N 1 2 253.261 2.206 10 30 CEEELO N#Cc1ccc(-c2nnc([C@H]([NH3+])c3ccccc3)o2)nc1 ZINC000111284328 186389892 /nfs/dbraw/zinc/38/98/92/186389892.db2.gz PSTOTHMTUQBILC-CYBMUJFWSA-N 1 2 277.287 2.051 10 30 CEEELO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000177302763 189042765 /nfs/dbraw/zinc/04/27/65/189042765.db2.gz SZOUYSTZUQSABA-HNNXBMFYSA-N 1 2 285.326 2.126 10 30 CEEELO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000177302763 189042766 /nfs/dbraw/zinc/04/27/66/189042766.db2.gz SZOUYSTZUQSABA-HNNXBMFYSA-N 1 2 285.326 2.126 10 30 CEEELO N#CC1([NH+]2CCCCC2)CCC2(CC1)OCCO2 ZINC000031904979 361722679 /nfs/dbraw/zinc/72/26/79/361722679.db2.gz JLWNYCFNKZZNQY-UHFFFAOYSA-N 1 2 250.342 2.052 10 30 CEEELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000189991318 369585772 /nfs/dbraw/zinc/58/57/72/369585772.db2.gz PBVICHRCYPKRSD-ZDUSSCGKSA-N 1 2 264.350 2.147 10 30 CEEELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000189991318 369585776 /nfs/dbraw/zinc/58/57/76/369585776.db2.gz PBVICHRCYPKRSD-ZDUSSCGKSA-N 1 2 264.350 2.147 10 30 CEEELO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000267385068 190326149 /nfs/dbraw/zinc/32/61/49/190326149.db2.gz MFEBRWUJMPSVPH-AWEZNQCLSA-N 1 2 297.318 2.332 10 30 CEEELO CCCOCCOCC[C@@H]1CCC[C@@]1(C#N)[NH2+]CC ZINC000093579873 184691555 /nfs/dbraw/zinc/69/15/55/184691555.db2.gz WABQTNJMWNPLHW-GJZGRUSLSA-N 1 2 268.401 2.492 10 30 CEEELO CCCOCCOCC[C@H]1CCC[C@@]1(C#N)[NH2+]CC ZINC000093579874 184691765 /nfs/dbraw/zinc/69/17/65/184691765.db2.gz WABQTNJMWNPLHW-CABCVRRESA-N 1 2 268.401 2.492 10 30 CEEELO N#Cc1cc(Cl)ccc1N1CCn2cc[nH+]c2C1 ZINC000062255497 394570110 /nfs/dbraw/zinc/57/01/10/394570110.db2.gz GTUZCFUCUPRVPK-UHFFFAOYSA-N 1 2 258.712 2.428 10 30 CEEELO Cc1cc(N(C)CC2CCOCC2)c(C#N)c(C)[nH+]1 ZINC000157437703 395034958 /nfs/dbraw/zinc/03/49/58/395034958.db2.gz KKGMADQZTPXTRW-UHFFFAOYSA-N 1 2 259.353 2.433 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2ccccc2C(=O)OC)c1N ZINC000040708950 174379915 /nfs/dbraw/zinc/37/99/15/174379915.db2.gz BMEJMNIXGWUOHU-UHFFFAOYSA-N 1 2 299.334 2.187 10 30 CEEELO N#C[C@@H](Cn1cc[nH+]c1-c1ccccc1)NC1CC1 ZINC000045322453 175359866 /nfs/dbraw/zinc/35/98/66/175359866.db2.gz KBTHRSUYHBMYPN-AWEZNQCLSA-N 1 2 252.321 2.194 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1cc([N+](=O)[O-])ccc1OC ZINC000045331436 175360088 /nfs/dbraw/zinc/36/00/88/175360088.db2.gz YCONRXRPXZGCBZ-AWEZNQCLSA-N 1 2 293.323 2.264 10 30 CEEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1nc2cccnc2s1 ZINC000333650694 228208155 /nfs/dbraw/zinc/20/81/55/228208155.db2.gz UTIUFDNENCHRLJ-NXEZZACHSA-N 1 2 258.350 2.473 10 30 CEEELO CC(C)[NH2+][C@@](C#N)(CN(C)CCc1ccccn1)C1CC1 ZINC000069075920 519735354 /nfs/dbraw/zinc/73/53/54/519735354.db2.gz BNLNNLNPHRFBGZ-KRWDZBQOSA-N 1 2 286.423 2.226 10 30 CEEELO CC(C)[NH2+][C@H](C#N)CCN(CC(F)(F)F)C1CC1 ZINC000062435843 519737944 /nfs/dbraw/zinc/73/79/44/519737944.db2.gz SHBKHTGMONJHKJ-JTQLQIEISA-N 1 2 263.307 2.293 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1cc([N+](=O)[O-])ccc1OC ZINC000062448875 520060531 /nfs/dbraw/zinc/06/05/31/520060531.db2.gz JMERTIODPOZTGY-NSHDSACASA-N 1 2 293.323 2.264 10 30 CEEELO CCN[C@@](C#N)(C[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000069076779 520127618 /nfs/dbraw/zinc/12/76/18/520127618.db2.gz SMMNPPHKAZKHQR-KRWDZBQOSA-N 1 2 269.392 2.327 10 30 CEEELO CCN[C@@](C#N)(C[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000069076779 520127622 /nfs/dbraw/zinc/12/76/22/520127622.db2.gz SMMNPPHKAZKHQR-KRWDZBQOSA-N 1 2 269.392 2.327 10 30 CEEELO CC[NH2+][C@@](C#N)(CN1Cc2ccccc2C1)C1CC1 ZINC000069082354 520127750 /nfs/dbraw/zinc/12/77/50/520127750.db2.gz VXCJBJZFWFLHFV-INIZCTEOSA-N 1 2 255.365 2.284 10 30 CEEELO COCC[N@H+](C[C@](C#N)(NC1CC1)C1CC1)[C@@H](C)C1CC1 ZINC000069080184 523735447 /nfs/dbraw/zinc/73/54/47/523735447.db2.gz ONLJDXQZLSCLMP-GUYCJALGSA-N 1 2 291.439 2.158 10 30 CEEELO COCC[N@@H+](C[C@](C#N)(NC1CC1)C1CC1)[C@@H](C)C1CC1 ZINC000069080184 523735453 /nfs/dbraw/zinc/73/54/53/523735453.db2.gz ONLJDXQZLSCLMP-GUYCJALGSA-N 1 2 291.439 2.158 10 30 CEEELO COc1ccc([N+](=O)[O-])cc1O[C@H](C)C[C@](C)([NH3+])C#N ZINC000068622651 525472831 /nfs/dbraw/zinc/47/28/31/525472831.db2.gz YUPOMEFFNFGECK-RNCFNFMXSA-N 1 2 279.296 2.002 10 30 CEEELO COc1ccc2cc(C[N@H+](C)C[C@H](C)C#N)c(N)nc2c1 ZINC000050815339 525626109 /nfs/dbraw/zinc/62/61/09/525626109.db2.gz SOPRVQQSCGVYMZ-LLVKDONJSA-N 1 2 284.363 2.417 10 30 CEEELO COc1ccc2cc(C[N@@H+](C)C[C@H](C)C#N)c(N)nc2c1 ZINC000050815339 525626115 /nfs/dbraw/zinc/62/61/15/525626115.db2.gz SOPRVQQSCGVYMZ-LLVKDONJSA-N 1 2 284.363 2.417 10 30 CEEELO COc1ccc2[nH]c(SC[C@]([NH3+])(C#N)C3CC3)nc2c1 ZINC000069091337 525679504 /nfs/dbraw/zinc/67/95/04/525679504.db2.gz UXVMJSIPRAOPCL-CQSZACIVSA-N 1 2 288.376 2.295 10 30 CEEELO C=C(Br)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000306492996 344713740 /nfs/dbraw/zinc/71/37/40/344713740.db2.gz YIOPUXQMJVDUKU-DTWKUNHWSA-N 1 2 256.147 2.387 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCCSC[C@H](C)CO ZINC000091258206 180115221 /nfs/dbraw/zinc/11/52/21/180115221.db2.gz GVNXHRQGFQCRQI-CHWSQXEVSA-N 1 2 258.431 2.410 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1cccc2ccccc21 ZINC000091748026 180245305 /nfs/dbraw/zinc/24/53/05/180245305.db2.gz AAZUUBUSCXYLGA-HNNXBMFYSA-N 1 2 251.333 2.137 10 30 CEEELO C=CCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141190 186103556 /nfs/dbraw/zinc/10/35/56/186103556.db2.gz RMGYZQKPJDTJNZ-UHFFFAOYSA-N 1 2 282.391 2.176 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000109455414 186253733 /nfs/dbraw/zinc/25/37/33/186253733.db2.gz PPBUWKCHFGTBPR-OAHLLOKOSA-N 1 2 273.380 2.115 10 30 CEEELO CC(C)(C#N)N1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000109460827 186254298 /nfs/dbraw/zinc/25/42/98/186254298.db2.gz POCXQIDMQZKUOL-UHFFFAOYSA-N 1 2 279.334 2.385 10 30 CEEELO Cc1cc(NCC(=O)NCc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000301639103 201110536 /nfs/dbraw/zinc/11/05/36/201110536.db2.gz AXONGJPBIQXTBK-UHFFFAOYSA-N 1 2 294.358 2.298 10 30 CEEELO C#C[C@@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000186082006 368917199 /nfs/dbraw/zinc/91/71/99/368917199.db2.gz KRFQSQQPRBJQAM-CHWSQXEVSA-N 1 2 282.347 2.254 10 30 CEEELO Cc1cc(N2CCC(n3ccnn3)CC2)c(C#N)c(C)[nH+]1 ZINC000302010146 379316490 /nfs/dbraw/zinc/31/64/90/379316490.db2.gz CBKCVFYDNVKYGO-UHFFFAOYSA-N 1 2 282.351 2.003 10 30 CEEELO N#C[C@]1([NH2+]C2CC2)CCC[C@@H]1CCSC1COC1 ZINC000093581934 184692379 /nfs/dbraw/zinc/69/23/79/184692379.db2.gz FQEHDOJHZXBJEL-BXUZGUMPSA-N 1 2 266.410 2.323 10 30 CEEELO COC[C@@H]1C[N@H+](Cc2ccccc2C#N)CC(C)(C)O1 ZINC000284684668 196111176 /nfs/dbraw/zinc/11/11/76/196111176.db2.gz ZVCMHGCWUXDVPO-HNNXBMFYSA-N 1 2 274.364 2.184 10 30 CEEELO COC[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC(C)(C)O1 ZINC000284684668 196111177 /nfs/dbraw/zinc/11/11/77/196111177.db2.gz ZVCMHGCWUXDVPO-HNNXBMFYSA-N 1 2 274.364 2.184 10 30 CEEELO CN(Cc1ccsc1)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000035719249 172373127 /nfs/dbraw/zinc/37/31/27/172373127.db2.gz AKPAVXMOIQKBHA-UHFFFAOYSA-N 1 2 261.350 2.479 10 30 CEEELO CC[N@@H+](Cc1sccc1C#CCO)C[C@@H](C)C#N ZINC000043679951 175090332 /nfs/dbraw/zinc/09/03/32/175090332.db2.gz VJLZKHGQQZGEHA-LBPRGKRZSA-N 1 2 262.378 2.073 10 30 CEEELO CC[N@H+](Cc1sccc1C#CCO)C[C@@H](C)C#N ZINC000043679951 175090333 /nfs/dbraw/zinc/09/03/33/175090333.db2.gz VJLZKHGQQZGEHA-LBPRGKRZSA-N 1 2 262.378 2.073 10 30 CEEELO C[C@H](C#N)C[N@H+](C)Cc1cc(C#CCCO)cs1 ZINC000043698694 175096771 /nfs/dbraw/zinc/09/67/71/175096771.db2.gz NVODHABIBCZDLB-GFCCVEGCSA-N 1 2 262.378 2.073 10 30 CEEELO C[C@H](C#N)C[N@@H+](C)Cc1cc(C#CCCO)cs1 ZINC000043698694 175096772 /nfs/dbraw/zinc/09/67/72/175096772.db2.gz NVODHABIBCZDLB-GFCCVEGCSA-N 1 2 262.378 2.073 10 30 CEEELO C[C@@]([NH3+])(C#N)COc1c(F)c(F)c(F)c(F)c1F ZINC000045213707 175329094 /nfs/dbraw/zinc/32/90/94/175329094.db2.gz ORJVCBLVOARSHT-SNVBAGLBSA-N 1 2 266.169 2.002 10 30 CEEELO CCC(CC)[N@H+](CCOC)C[C@H](C#N)NC(C)C ZINC000045319503 175359234 /nfs/dbraw/zinc/35/92/34/175359234.db2.gz CPXCKELGDZGITF-ZDUSSCGKSA-N 1 2 255.406 2.014 10 30 CEEELO CCC(CC)[N@@H+](CCOC)C[C@H](C#N)NC(C)C ZINC000045319503 175359236 /nfs/dbraw/zinc/35/92/36/175359236.db2.gz CPXCKELGDZGITF-ZDUSSCGKSA-N 1 2 255.406 2.014 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1cccc(N(C)C)c1 ZINC000045331975 175360081 /nfs/dbraw/zinc/36/00/81/175360081.db2.gz QYPQOIXEOXDILN-OAHLLOKOSA-N 1 2 261.369 2.413 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1cccc(N(C)C)c1 ZINC000045331978 175360360 /nfs/dbraw/zinc/36/03/60/175360360.db2.gz QYPQOIXEOXDILN-HNNXBMFYSA-N 1 2 261.369 2.413 10 30 CEEELO O=[N+]([O-])c1ccc(/C=N/NC2=[NH+]CCCCC2)cc1 ZINC000003213935 280362694 /nfs/dbraw/zinc/36/26/94/280362694.db2.gz GSCBJVRJNPNUPE-XNTDXEJSSA-N 1 2 260.297 2.491 10 30 CEEELO CC[NH2+][C@@](C#N)(CN(CC)CC(F)(F)F)C1CC1 ZINC000069079117 520127038 /nfs/dbraw/zinc/12/70/38/520127038.db2.gz QLTCADQKNQHTNZ-NSHDSACASA-N 1 2 263.307 2.152 10 30 CEEELO CCCO[C@H]1CCC[N@@H+](Cc2cccnc2C#N)C1 ZINC000061664477 520285813 /nfs/dbraw/zinc/28/58/13/520285813.db2.gz AMPQKUYTRMCIRG-AWEZNQCLSA-N 1 2 259.353 2.344 10 30 CEEELO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000184427599 518628090 /nfs/dbraw/zinc/62/80/90/518628090.db2.gz WZVLGXUETLAIGN-ZIAGYGMSSA-N 1 2 261.369 2.476 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1ccc2c(c1)CCC(=O)N2 ZINC000062444896 519984991 /nfs/dbraw/zinc/98/49/91/519984991.db2.gz DRLUHCMVMQADRF-CYBMUJFWSA-N 1 2 287.363 2.232 10 30 CEEELO CCCO[C@H]1CCC[N@H+](Cc2cccnc2C#N)C1 ZINC000061664477 520285808 /nfs/dbraw/zinc/28/58/08/520285808.db2.gz AMPQKUYTRMCIRG-AWEZNQCLSA-N 1 2 259.353 2.344 10 30 CEEELO COc1cc(C#N)ccc1OCc1cc[nH+]c(N)c1 ZINC000052734394 522046528 /nfs/dbraw/zinc/04/65/28/522046528.db2.gz XGSCEYJZOXKUOX-UHFFFAOYSA-N 1 2 255.277 2.123 10 30 CEEELO C[N@H+](CCc1ccccn1)Cc1cccnc1C#N ZINC000061664255 522964280 /nfs/dbraw/zinc/96/42/80/522964280.db2.gz KITRSAHYUGEVOS-UHFFFAOYSA-N 1 2 252.321 2.023 10 30 CEEELO C[N@@H+](CCc1ccccn1)Cc1cccnc1C#N ZINC000061664255 522964289 /nfs/dbraw/zinc/96/42/89/522964289.db2.gz KITRSAHYUGEVOS-UHFFFAOYSA-N 1 2 252.321 2.023 10 30 CEEELO Cc1cc2ncn(C[C@]([NH3+])(C#N)C3CC3)c2cc1C ZINC000069084106 525685557 /nfs/dbraw/zinc/68/55/57/525685557.db2.gz JCZLOWNMAYDPDY-OAHLLOKOSA-N 1 2 254.337 2.284 10 30 CEEELO C#CCSCCNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000131782103 652463437 /nfs/dbraw/zinc/46/34/37/652463437.db2.gz JJXRITNVUFKHLW-CYBMUJFWSA-N 1 2 290.436 2.491 10 30 CEEELO C#CCSCCNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000131782103 652463438 /nfs/dbraw/zinc/46/34/38/652463438.db2.gz JJXRITNVUFKHLW-CYBMUJFWSA-N 1 2 290.436 2.491 10 30 CEEELO COC(=O)C1(c2ccccc2)CC[NH+]([C@@H](C)CC#N)CC1 ZINC000039024157 343435248 /nfs/dbraw/zinc/43/52/48/343435248.db2.gz WNEUYVNVOZLGOJ-AWEZNQCLSA-N 1 2 286.375 2.495 10 30 CEEELO CCc1onc(C)c1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328641843 344758260 /nfs/dbraw/zinc/75/82/60/344758260.db2.gz YCKJWAHPYPGRPJ-LLVKDONJSA-N 1 2 288.351 2.309 10 30 CEEELO Cc1cc(NC(=O)c2ccc(C#CCO)s2)cc[nH+]1 ZINC000092365883 180368828 /nfs/dbraw/zinc/36/88/28/180368828.db2.gz HZFWKQLQIJUYRQ-UHFFFAOYSA-N 1 2 272.329 2.048 10 30 CEEELO N#CCCN(Cc1cc(NN)cc[nH+]1)c1ccccc1 ZINC000092425128 180382914 /nfs/dbraw/zinc/38/29/14/180382914.db2.gz XDNYANKVZQJOFG-UHFFFAOYSA-N 1 2 267.336 2.287 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCn1c2ccccc2nc1CC#N ZINC000110952288 186336499 /nfs/dbraw/zinc/33/64/99/186336499.db2.gz JKSSTPRVXZZLQR-INIZCTEOSA-N 1 2 281.363 2.384 10 30 CEEELO Cc1cc(NCc2ccc(C(N)=O)cc2)c(C#N)c(C)[nH+]1 ZINC000301781617 201193909 /nfs/dbraw/zinc/19/39/09/201193909.db2.gz NEEQLDYDXDVRMN-UHFFFAOYSA-N 1 2 280.331 2.281 10 30 CEEELO N#Cc1csc(C[NH2+][C@@H]2COc3ccccc32)n1 ZINC000352835236 369903282 /nfs/dbraw/zinc/90/32/82/369903282.db2.gz OFTZOQUBQMBSDV-LLVKDONJSA-N 1 2 257.318 2.238 10 30 CEEELO CCCCCCCCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194619323 370058626 /nfs/dbraw/zinc/05/86/26/370058626.db2.gz HBBWGRUSITVNPP-AWEZNQCLSA-N 1 2 270.417 2.184 10 30 CEEELO CCCCCCCCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194619323 370058628 /nfs/dbraw/zinc/05/86/28/370058628.db2.gz HBBWGRUSITVNPP-AWEZNQCLSA-N 1 2 270.417 2.184 10 30 CEEELO CCCCOCCO[C@H]1CCC[C@@](C#N)([NH2+]C)C1 ZINC000093745103 184712354 /nfs/dbraw/zinc/71/23/54/184712354.db2.gz SGRQHJLEGQINCY-UONOGXRCSA-N 1 2 254.374 2.244 10 30 CEEELO CC[C@H]1C[N@H+](Cc2ccc(C#CCCO)s2)CCO1 ZINC000043679696 175090194 /nfs/dbraw/zinc/09/01/94/175090194.db2.gz UBZIVHXBSTYYAJ-ZDUSSCGKSA-N 1 2 279.405 2.093 10 30 CEEELO CC[C@H]1C[N@@H+](Cc2ccc(C#CCCO)s2)CCO1 ZINC000043679696 175090195 /nfs/dbraw/zinc/09/01/95/175090195.db2.gz UBZIVHXBSTYYAJ-ZDUSSCGKSA-N 1 2 279.405 2.093 10 30 CEEELO CN[C@](C)(C#N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000045175738 175323549 /nfs/dbraw/zinc/32/35/49/175323549.db2.gz CTRDCMPHAOGKPR-QGZVFWFLSA-N 1 2 271.408 2.443 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCOC[C@H]1CCCCO1 ZINC000045208413 175328696 /nfs/dbraw/zinc/32/86/96/175328696.db2.gz HGQHTRIFUJSVBY-ZIAGYGMSSA-N 1 2 254.374 2.244 10 30 CEEELO CCCCOCCOCCC[C@](C)(C#N)[NH2+]CC ZINC000045324166 175359592 /nfs/dbraw/zinc/35/95/92/175359592.db2.gz LOZWJGLHWMKNHB-CQSZACIVSA-N 1 2 256.390 2.492 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000045326986 175359675 /nfs/dbraw/zinc/35/96/75/175359675.db2.gz AEKGFENSDZVAJK-MRXNPFEDSA-N 1 2 287.363 2.232 10 30 CEEELO CC(C)[NH2+][C@@](C#N)(CN1C[C@@H](C)OC(C)(C)C1)C1CC1 ZINC000069081329 519735173 /nfs/dbraw/zinc/73/51/73/519735173.db2.gz IDCOUEUSSOHAOU-CJNGLKHVSA-N 1 2 279.428 2.156 10 30 CEEELO CC(C)[NH2+][C@H](C#N)CCn1ccc(C(F)(F)F)n1 ZINC000062440611 519738164 /nfs/dbraw/zinc/73/81/64/519738164.db2.gz HAFKDOZCSJGCPO-VIFPVBQESA-N 1 2 260.263 2.182 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCn1nc(C)c(Cl)c1C ZINC000062440846 519983535 /nfs/dbraw/zinc/98/35/35/519983535.db2.gz IYOGUUBPRPFBPS-LLVKDONJSA-N 1 2 254.765 2.435 10 30 CEEELO CC(C)[NH2+][C@](C#N)(CN(C)C[C@@H]1CCCCO1)C1CC1 ZINC000069079353 519738762 /nfs/dbraw/zinc/73/87/62/519738762.db2.gz STJAXKSHYLKGKX-JKSUJKDBSA-N 1 2 279.428 2.158 10 30 CEEELO CC[NH2+][C@@](C#N)(CN(CC(F)(F)F)C1CC1)C1CC1 ZINC000069079154 520125547 /nfs/dbraw/zinc/12/55/47/520125547.db2.gz QONTVHCPVGNHJZ-LBPRGKRZSA-N 1 2 275.318 2.295 10 30 CEEELO CC[NH2+][C@@](C)(C#N)C[C@@H](C)Sc1ncnc2[nH]cnc21 ZINC000068626101 520130664 /nfs/dbraw/zinc/13/06/64/520130664.db2.gz FVEGEPJEVNTMBB-NOZJJQNGSA-N 1 2 290.396 2.115 10 30 CEEELO COc1cc([N+](=O)[O-])ccc1O[C@@H](C)C[C@](C)([NH3+])C#N ZINC000068623298 522984369 /nfs/dbraw/zinc/98/43/69/522984369.db2.gz XTJDPCPCVJDRHO-ZANVPECISA-N 1 2 279.296 2.002 10 30 CEEELO CC[C@H]1C[N@H+](Cc2ccc(F)cc2C#CCCO)CCO1 ZINC000049618441 523286911 /nfs/dbraw/zinc/28/69/11/523286911.db2.gz NMWKOTGXIVFUBO-KRWDZBQOSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2C#CCCO)CCO1 ZINC000049618441 523286917 /nfs/dbraw/zinc/28/69/17/523286917.db2.gz NMWKOTGXIVFUBO-KRWDZBQOSA-N 1 2 291.366 2.170 10 30 CEEELO COCC[N@H+](CC(C)C)C[C@@](C#N)(NC1CC1)C1CC1 ZINC000069079522 523679895 /nfs/dbraw/zinc/67/98/95/523679895.db2.gz UPCZQCKCBLKRIN-MRXNPFEDSA-N 1 2 279.428 2.015 10 30 CEEELO COCC[N@@H+](CC(C)C)C[C@@](C#N)(NC1CC1)C1CC1 ZINC000069079522 523679901 /nfs/dbraw/zinc/67/99/01/523679901.db2.gz UPCZQCKCBLKRIN-MRXNPFEDSA-N 1 2 279.428 2.015 10 30 CEEELO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#CCCO)C[C@H](C)O1 ZINC000049615970 524996528 /nfs/dbraw/zinc/99/65/28/524996528.db2.gz YKKBKUMUUHRFIC-OKILXGFUSA-N 1 2 291.366 2.169 10 30 CEEELO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#CCCO)C[C@H](C)O1 ZINC000049615970 524996540 /nfs/dbraw/zinc/99/65/40/524996540.db2.gz YKKBKUMUUHRFIC-OKILXGFUSA-N 1 2 291.366 2.169 10 30 CEEELO C[C@@H]1C[NH+](Cc2ccc(F)cc2C#CCCO)C[C@@H](C)O1 ZINC000049615975 524998424 /nfs/dbraw/zinc/99/84/24/524998424.db2.gz YKKBKUMUUHRFIC-ZIAGYGMSSA-N 1 2 291.366 2.169 10 30 CEEELO Cc1cc2ncn(C[C@@]([NH3+])(C#N)C3CC3)c2cc1C ZINC000069084102 525684637 /nfs/dbraw/zinc/68/46/37/525684637.db2.gz JCZLOWNMAYDPDY-HNNXBMFYSA-N 1 2 254.337 2.284 10 30 CEEELO N#C[C@]([NH3+])(Cn1ccnc1-c1cccs1)C1CC1 ZINC000069084771 526515069 /nfs/dbraw/zinc/51/50/69/526515069.db2.gz GBCFHZQQPPZKFO-ZDUSSCGKSA-N 1 2 258.350 2.243 10 30 CEEELO N#Cc1ncccc1Cn1cc[nH+]c1-c1cccc(N)c1 ZINC000061659104 526792182 /nfs/dbraw/zinc/79/21/82/526792182.db2.gz YDULDNQGCXOVDQ-UHFFFAOYSA-N 1 2 275.315 2.447 10 30 CEEELO C[C@H](C/N=C/c1cc(Cl)ccc1O)[NH+]1CCOCC1 ZINC000075533285 628586197 /nfs/dbraw/zinc/58/61/97/628586197.db2.gz ZUXGJBTUZVXWEC-HPUUJOOBSA-N 1 2 282.771 2.185 10 30 CEEELO Cc1ccc(NC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000328640985 344757393 /nfs/dbraw/zinc/75/73/93/344757393.db2.gz XSKINVVUNGHIJT-ZDUSSCGKSA-N 1 2 299.378 2.326 10 30 CEEELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1ccc(C#N)cc1 ZINC000328628527 344756321 /nfs/dbraw/zinc/75/63/21/344756321.db2.gz NUEVNUFPOLZQQN-CQSZACIVSA-N 1 2 294.358 2.089 10 30 CEEELO CN(C)c1nc(N(C)c2cccc(C#N)c2)cc[nH+]1 ZINC000085436969 179063975 /nfs/dbraw/zinc/06/39/75/179063975.db2.gz HIBMPWZNIVUQEH-UHFFFAOYSA-N 1 2 253.309 2.182 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1csc(-c2ccccc2)n1 ZINC000091749091 180245996 /nfs/dbraw/zinc/24/59/96/180245996.db2.gz ZOHZVNHBACKTNS-AWEZNQCLSA-N 1 2 284.388 2.107 10 30 CEEELO CC(C)(C#N)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109459196 186253547 /nfs/dbraw/zinc/25/35/47/186253547.db2.gz RKVLQOSKARNLEY-UHFFFAOYSA-N 1 2 288.351 2.015 10 30 CEEELO CC(C)(C#N)N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000109459369 186253925 /nfs/dbraw/zinc/25/39/25/186253925.db2.gz NQYUULVZXRCNSM-UHFFFAOYSA-N 1 2 286.354 2.117 10 30 CEEELO N#Cc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000176342763 368227547 /nfs/dbraw/zinc/22/75/47/368227547.db2.gz CGBNIYAEDYDMGR-OAHLLOKOSA-N 1 2 295.346 2.451 10 30 CEEELO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000267385070 190326303 /nfs/dbraw/zinc/32/63/03/190326303.db2.gz MFEBRWUJMPSVPH-CQSZACIVSA-N 1 2 297.318 2.332 10 30 CEEELO N#Cc1ccc(N2CCC[C@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267445267 190331461 /nfs/dbraw/zinc/33/14/61/190331461.db2.gz ZNYBTUIBGMLVAL-ZDUSSCGKSA-N 1 2 297.318 2.332 10 30 CEEELO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(=NO)CC1 ZINC000035308292 172121496 /nfs/dbraw/zinc/12/14/96/172121496.db2.gz LYJATDYHDCPTOA-UHFFFAOYSA-N 1 2 267.260 2.160 10 30 CEEELO COCC[N@H+](C[C@](C)(C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000045177473 175323335 /nfs/dbraw/zinc/32/33/35/175323335.db2.gz HYYHPDOOSCZVJY-ZFWWWQNUSA-N 1 2 267.417 2.014 10 30 CEEELO COCC[N@@H+](C[C@](C)(C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000045177473 175323337 /nfs/dbraw/zinc/32/33/37/175323337.db2.gz HYYHPDOOSCZVJY-ZFWWWQNUSA-N 1 2 267.417 2.014 10 30 CEEELO CC[NH+](CC)C[C@@](C#N)(NC1CC1)c1ccccc1 ZINC000045178964 175324445 /nfs/dbraw/zinc/32/44/45/175324445.db2.gz YEUCOQUERUMVIO-MRXNPFEDSA-N 1 2 257.381 2.499 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCSc1nncs1 ZINC000045219302 175329922 /nfs/dbraw/zinc/32/99/22/175329922.db2.gz DCNFBZVOLYPCAB-JTQLQIEISA-N 1 2 256.400 2.301 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCSc1ncccn1 ZINC000045219568 175330078 /nfs/dbraw/zinc/33/00/78/175330078.db2.gz MMPHCAQANLQPCS-LBPRGKRZSA-N 1 2 250.371 2.239 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1cccc(N(C)C)c1 ZINC000062449446 519983624 /nfs/dbraw/zinc/98/36/24/519983624.db2.gz QHLMFGVRYCMXRV-CYBMUJFWSA-N 1 2 261.369 2.413 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCSc1ncc(C)cn1 ZINC000062457654 519984093 /nfs/dbraw/zinc/98/40/93/519984093.db2.gz PBMWGFARZLDZET-LLVKDONJSA-N 1 2 250.371 2.159 10 30 CEEELO CC[NH2+][C@@](C)(C#N)C[C@@H](C)Sc1nnc2ccccn21 ZINC000068626572 520129639 /nfs/dbraw/zinc/12/96/39/520129639.db2.gz XNUVOMNSJVPWJM-BXUZGUMPSA-N 1 2 289.408 2.492 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@H](C)Sc1ncnc2[nH]cnc21 ZINC000068626104 520227187 /nfs/dbraw/zinc/22/71/87/520227187.db2.gz FVEGEPJEVNTMBB-ZANVPECISA-N 1 2 290.396 2.115 10 30 CEEELO C[C@@H](N(C)c1cc[nH+]c(/C(N)=N/O)c1)C(C)(C)C ZINC000061813800 524984985 /nfs/dbraw/zinc/98/49/85/524984985.db2.gz IJYKTHXMTDLMEK-SECBINFHSA-N 1 2 250.346 2.047 10 30 CEEELO Cc1ccc2c(c1)CCCN2C[C@@]([NH3+])(C#N)C1CC1 ZINC000069075808 526146098 /nfs/dbraw/zinc/14/60/98/526146098.db2.gz JRAIVFXPVHDXSL-INIZCTEOSA-N 1 2 255.365 2.379 10 30 CEEELO N#C[C@]([NH3+])(COc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000069089104 526514590 /nfs/dbraw/zinc/51/45/90/526514590.db2.gz FMYLJSNENPPPMM-LBPRGKRZSA-N 1 2 281.699 2.258 10 30 CEEELO C#CC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230305717 344572451 /nfs/dbraw/zinc/57/24/51/344572451.db2.gz RWKGGFKRPSJJFP-UHFFFAOYSA-N 1 2 260.081 2.450 10 30 CEEELO Cc1ccc(CC(=O)NC[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000328623446 344755507 /nfs/dbraw/zinc/75/55/07/344755507.db2.gz JECYUWHYULFDMO-AWEZNQCLSA-N 1 2 284.363 2.348 10 30 CEEELO CCC[NH2+][C@](C#N)(CS[C@H](C)CCO)C1CC1 ZINC000091266524 180117144 /nfs/dbraw/zinc/11/71/44/180117144.db2.gz BTDHIIXEQQZIRZ-DGCLKSJQSA-N 1 2 256.415 2.162 10 30 CEEELO C[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1C#N ZINC000109120366 186243953 /nfs/dbraw/zinc/24/39/53/186243953.db2.gz HVAYFVFYISYJMY-UHFFFAOYSA-N 1 2 285.269 2.381 10 30 CEEELO C[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1C#N ZINC000109120366 186243954 /nfs/dbraw/zinc/24/39/54/186243954.db2.gz HVAYFVFYISYJMY-UHFFFAOYSA-N 1 2 285.269 2.381 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000109455411 186253808 /nfs/dbraw/zinc/25/38/08/186253808.db2.gz PPBUWKCHFGTBPR-HNNXBMFYSA-N 1 2 273.380 2.115 10 30 CEEELO COc1cccn2c(N)c(-c3ccc(C#N)cc3)[nH+]c12 ZINC000110782895 186324053 /nfs/dbraw/zinc/32/40/53/186324053.db2.gz XAWFTNIAFMUFHM-UHFFFAOYSA-N 1 2 264.288 2.464 10 30 CEEELO C[C@@H](C#N)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000182693558 368581956 /nfs/dbraw/zinc/58/19/56/368581956.db2.gz ZBGGWQIUISSHPL-QWHCGFSZSA-N 1 2 297.362 2.392 10 30 CEEELO COC(=O)C[NH+]1CCC(C#N)(CCc2ccccc2)CC1 ZINC000219250497 370220821 /nfs/dbraw/zinc/22/08/21/370220821.db2.gz KDHFUVLOXULLBU-UHFFFAOYSA-N 1 2 286.375 2.398 10 30 CEEELO O=C(NC[C@H]1CCn2cc[nH+]c2C1)[C@@H](O)c1ccccc1 ZINC000328614300 376860349 /nfs/dbraw/zinc/86/03/49/376860349.db2.gz AFUXJQXUSZIYPL-WFASDCNBSA-N 1 2 285.347 2.136 10 30 CEEELO Cc1cc(NCc2nnc(C3CC3)o2)c(C#N)c(C)[nH+]1 ZINC000302443168 379374643 /nfs/dbraw/zinc/37/46/43/379374643.db2.gz NNDYGQWGADTRBN-UHFFFAOYSA-N 1 2 269.308 2.443 10 30 CEEELO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(OC)c1OC ZINC000061891056 394568923 /nfs/dbraw/zinc/56/89/23/394568923.db2.gz RLOKWRFZLSCQSK-YPMHNXCESA-N 1 2 290.363 2.494 10 30 CEEELO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000061891045 394569037 /nfs/dbraw/zinc/56/90/37/394569037.db2.gz CREGSZYYISDEBL-SMDDNHRTSA-N 1 2 260.337 2.486 10 30 CEEELO COC[C@H]1C[N@H+](Cc2ccccc2C#N)CC(C)(C)O1 ZINC000284684671 196110778 /nfs/dbraw/zinc/11/07/78/196110778.db2.gz ZVCMHGCWUXDVPO-OAHLLOKOSA-N 1 2 274.364 2.184 10 30 CEEELO COC[C@H]1C[N@@H+](Cc2ccccc2C#N)CC(C)(C)O1 ZINC000284684671 196110779 /nfs/dbraw/zinc/11/07/79/196110779.db2.gz ZVCMHGCWUXDVPO-OAHLLOKOSA-N 1 2 274.364 2.184 10 30 CEEELO C[C@H](C#N)C[N@H+](C)Cc1sccc1C#CCCO ZINC000043679970 175090198 /nfs/dbraw/zinc/09/01/98/175090198.db2.gz SNEAOOSXEFWRRT-GFCCVEGCSA-N 1 2 262.378 2.073 10 30 CEEELO C[C@H](C#N)C[N@@H+](C)Cc1sccc1C#CCCO ZINC000043679970 175090200 /nfs/dbraw/zinc/09/02/00/175090200.db2.gz SNEAOOSXEFWRRT-GFCCVEGCSA-N 1 2 262.378 2.073 10 30 CEEELO CCCO[C@@H]1CCC[N@H+](C[C@@](C)(C#N)NC(C)C)C1 ZINC000045177969 175324275 /nfs/dbraw/zinc/32/42/75/175324275.db2.gz OTESZRLSWWUSHB-HUUCEWRRSA-N 1 2 267.417 2.158 10 30 CEEELO CCCO[C@@H]1CCC[N@@H+](C[C@@](C)(C#N)NC(C)C)C1 ZINC000045177969 175324277 /nfs/dbraw/zinc/32/42/77/175324277.db2.gz OTESZRLSWWUSHB-HUUCEWRRSA-N 1 2 267.417 2.158 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCN(C)CC(F)(F)F ZINC000045181433 175324619 /nfs/dbraw/zinc/32/46/19/175324619.db2.gz ZNYMGEKMKJJEMM-JTQLQIEISA-N 1 2 251.296 2.152 10 30 CEEELO CN[C@@](C#N)(C[N@H+](CCOC)CC(C)C)c1ccccc1 ZINC000045182017 175325866 /nfs/dbraw/zinc/32/58/66/175325866.db2.gz YWFSOGFRFRBJKU-KRWDZBQOSA-N 1 2 289.423 2.229 10 30 CEEELO CN[C@@](C#N)(C[N@@H+](CCOC)CC(C)C)c1ccccc1 ZINC000045182017 175325868 /nfs/dbraw/zinc/32/58/68/175325868.db2.gz YWFSOGFRFRBJKU-KRWDZBQOSA-N 1 2 289.423 2.229 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCn1ccc(C(F)(F)F)n1 ZINC000045207199 175328685 /nfs/dbraw/zinc/32/86/85/175328685.db2.gz SNFNDECRIOSTTL-SNVBAGLBSA-N 1 2 260.263 2.184 10 30 CEEELO CCCCOCCOCC[C@](C)(C#N)[NH2+]CCC ZINC000045207603 175328923 /nfs/dbraw/zinc/32/89/23/175328923.db2.gz JERKMSMIYWKACN-CQSZACIVSA-N 1 2 256.390 2.492 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1cccc([N+](=O)[O-])c1 ZINC000045331030 175360123 /nfs/dbraw/zinc/36/01/23/175360123.db2.gz RIDXLGRGDNKMJF-ZDUSSCGKSA-N 1 2 263.297 2.255 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000045331349 175360458 /nfs/dbraw/zinc/36/04/58/175360458.db2.gz CSHIKFCGNBTPSS-ZDUSSCGKSA-N 1 2 281.287 2.395 10 30 CEEELO C[NH+](C)CCN1C(=O)c2c(cccc2C(F)(F)F)[C@@H]1C#N ZINC000071681113 176245592 /nfs/dbraw/zinc/24/55/92/176245592.db2.gz MRADQLWNBOBATD-NSHDSACASA-N 1 2 297.280 2.287 10 30 CEEELO CCOCC[N@H+](CC)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069083804 519909200 /nfs/dbraw/zinc/90/92/00/519909200.db2.gz BXOUAHFVYNLYNV-HNNXBMFYSA-N 1 2 267.417 2.015 10 30 CEEELO CCOCC[N@@H+](CC)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069083804 519909203 /nfs/dbraw/zinc/90/92/03/519909203.db2.gz BXOUAHFVYNLYNV-HNNXBMFYSA-N 1 2 267.417 2.015 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCSc1nnc(C)o1 ZINC000051038747 520103898 /nfs/dbraw/zinc/10/38/98/520103898.db2.gz BSZAXYGGAMPUSE-NSHDSACASA-N 1 2 254.359 2.142 10 30 CEEELO C[NH2+][C@](C)(C#N)C[C@@H](C)Sc1nnc2n1CCCCC2 ZINC000068624903 522511246 /nfs/dbraw/zinc/51/12/46/522511246.db2.gz KBHCZUPKDCULLE-RISCZKNCSA-N 1 2 293.440 2.377 10 30 CEEELO COCCCSC[C@@](C#N)([NH2+]C(C)C)C1CC1 ZINC000069095079 523441761 /nfs/dbraw/zinc/44/17/61/523441761.db2.gz DZAMEVRXMRKFLX-CYBMUJFWSA-N 1 2 256.415 2.426 10 30 CEEELO Cc1[nH+]c[nH]c1CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC000330115614 534719014 /nfs/dbraw/zinc/71/90/14/534719014.db2.gz UGKGJNLIPIXNRB-JTQLQIEISA-N 1 2 276.296 2.062 10 30 CEEELO COCC[NH+](CCOC)[C@H](CC#N)c1ccccc1 ZINC000055020318 523723442 /nfs/dbraw/zinc/72/34/42/523723442.db2.gz QPXMBWOMROTVGU-OAHLLOKOSA-N 1 2 262.353 2.236 10 30 CEEELO CC[C@H](C)[N@H+](CCOC)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069080337 523939465 /nfs/dbraw/zinc/93/94/65/523939465.db2.gz JJHWKMPEMIMMNC-HOCLYGCPSA-N 1 2 281.444 2.404 10 30 CEEELO CC[C@H](C)[N@@H+](CCOC)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069080337 523939472 /nfs/dbraw/zinc/93/94/72/523939472.db2.gz JJHWKMPEMIMMNC-HOCLYGCPSA-N 1 2 281.444 2.404 10 30 CEEELO N#C[C@@]([NH3+])(COc1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000069087897 526503099 /nfs/dbraw/zinc/50/30/99/526503099.db2.gz ZZXCADZWKNYYRO-GFCCVEGCSA-N 1 2 292.207 2.392 10 30 CEEELO N#C[C@]([NH3+])(COc1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000069087895 526514549 /nfs/dbraw/zinc/51/45/49/526514549.db2.gz ZZXCADZWKNYYRO-LBPRGKRZSA-N 1 2 292.207 2.392 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@H](C)Sc1nncs1 ZINC000082797132 178301973 /nfs/dbraw/zinc/30/19/73/178301973.db2.gz ICRUBDYFEUMAID-WPRPVWTQSA-N 1 2 256.400 2.301 10 30 CEEELO CC1=C(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC000328644378 344757950 /nfs/dbraw/zinc/75/79/50/344757950.db2.gz ZFSZBJGCPRQZDF-LBPRGKRZSA-N 1 2 275.352 2.486 10 30 CEEELO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328631083 344756610 /nfs/dbraw/zinc/75/66/10/344756610.db2.gz QOGNEYVSBVZEBP-AWEZNQCLSA-N 1 2 294.358 2.056 10 30 CEEELO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1OC ZINC000061891252 362696804 /nfs/dbraw/zinc/69/68/04/362696804.db2.gz RXVZHGKGTMBJIQ-DGCLKSJQSA-N 1 2 260.337 2.486 10 30 CEEELO Cc1nc(SC[C@]([NH3+])(C#N)C2CC2)nc(C)c1C ZINC000086644563 179316056 /nfs/dbraw/zinc/31/60/56/179316056.db2.gz VINXCLLFKLQGIF-CYBMUJFWSA-N 1 2 262.382 2.125 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCCSC[C@@H](C)CO ZINC000091258199 180115429 /nfs/dbraw/zinc/11/54/29/180115429.db2.gz GVNXHRQGFQCRQI-QWHCGFSZSA-N 1 2 258.431 2.410 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1cc2ccccc2nc1Cl ZINC000091748108 180245509 /nfs/dbraw/zinc/24/55/09/180245509.db2.gz JTUPEPHHVNILEX-ZDUSSCGKSA-N 1 2 286.766 2.186 10 30 CEEELO CCn1c[nH+]cc1[C@H](O)C1(C#N)Cc2ccccc2C1 ZINC000091904353 180283342 /nfs/dbraw/zinc/28/33/42/180283342.db2.gz RUOIDOWEZFOPDT-HNNXBMFYSA-N 1 2 267.332 2.245 10 30 CEEELO C=C(Br)C[NH+]1CCC(c2nncn2CC)CC1 ZINC000105928338 186092549 /nfs/dbraw/zinc/09/25/49/186092549.db2.gz UFKBIVJQBMSSBP-UHFFFAOYSA-N 1 2 299.216 2.386 10 30 CEEELO CC(C)[NH2+][C@H](C#N)CCn1c2ccccc2nc1CC#N ZINC000110952299 186336264 /nfs/dbraw/zinc/33/62/64/186336264.db2.gz JTNMUBWDEYGBHL-ZDUSSCGKSA-N 1 2 281.363 2.383 10 30 CEEELO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC)cc1 ZINC000179899040 189226825 /nfs/dbraw/zinc/22/68/25/189226825.db2.gz ZEBRFXZWNKMJOU-MRXNPFEDSA-N 1 2 287.359 2.226 10 30 CEEELO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC)cc1 ZINC000179899040 189226826 /nfs/dbraw/zinc/22/68/26/189226826.db2.gz ZEBRFXZWNKMJOU-MRXNPFEDSA-N 1 2 287.359 2.226 10 30 CEEELO C#C[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000186081990 368917239 /nfs/dbraw/zinc/91/72/39/368917239.db2.gz KRFQSQQPRBJQAM-QWHCGFSZSA-N 1 2 282.347 2.254 10 30 CEEELO CCCCCCCCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194619308 370058766 /nfs/dbraw/zinc/05/87/66/370058766.db2.gz HBBWGRUSITVNPP-CQSZACIVSA-N 1 2 270.417 2.184 10 30 CEEELO CCCCCCCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194619308 370058769 /nfs/dbraw/zinc/05/87/69/370058769.db2.gz HBBWGRUSITVNPP-CQSZACIVSA-N 1 2 270.417 2.184 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000186328464 284231887 /nfs/dbraw/zinc/23/18/87/284231887.db2.gz ANVVHMGQRFCLBH-MRXNPFEDSA-N 1 2 275.323 2.205 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000186328464 284231890 /nfs/dbraw/zinc/23/18/90/284231890.db2.gz ANVVHMGQRFCLBH-MRXNPFEDSA-N 1 2 275.323 2.205 10 30 CEEELO C[C@H]1COC[C@H](C)[NH+]1CCOc1ccccc1C#N ZINC000265913352 190216996 /nfs/dbraw/zinc/21/69/96/190216996.db2.gz YJCPIDGNVATGEI-STQMWFEESA-N 1 2 260.337 2.046 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2cccnc2Cl)c1N ZINC000040709183 174380614 /nfs/dbraw/zinc/38/06/14/174380614.db2.gz UDHXBEUHJNSYLL-UHFFFAOYSA-N 1 2 276.731 2.449 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2ccc(C(=O)OC)cc2)c1N ZINC000040709005 174380808 /nfs/dbraw/zinc/38/08/08/174380808.db2.gz AWPRJKXUAIDPNK-UHFFFAOYSA-N 1 2 299.334 2.187 10 30 CEEELO CC[N@H+](CCC#N)Cc1ccc(F)cc1C#CCCO ZINC000042451168 174744299 /nfs/dbraw/zinc/74/42/99/174744299.db2.gz ACIPIUPLQLSBBY-UHFFFAOYSA-N 1 2 274.339 2.295 10 30 CEEELO CC[N@@H+](CCC#N)Cc1ccc(F)cc1C#CCCO ZINC000042451168 174744300 /nfs/dbraw/zinc/74/43/00/174744300.db2.gz ACIPIUPLQLSBBY-UHFFFAOYSA-N 1 2 274.339 2.295 10 30 CEEELO CCC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044809615 175257398 /nfs/dbraw/zinc/25/73/98/175257398.db2.gz OATKQVRUNGCROX-INIZCTEOSA-N 1 2 285.391 2.271 10 30 CEEELO CCN[C@](C#N)(C[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000045180738 175324890 /nfs/dbraw/zinc/32/48/90/175324890.db2.gz WNTWAQQZXMKRPX-QGZVFWFLSA-N 1 2 287.407 2.126 10 30 CEEELO CC[C@H](C)[N@H+](CCOC)C[C@@](N)(C#N)c1ccccc1 ZINC000045182700 175325752 /nfs/dbraw/zinc/32/57/52/175325752.db2.gz KLYFDFNTAFCCII-HOCLYGCPSA-N 1 2 275.396 2.111 10 30 CEEELO CC[C@H](C)[N@@H+](CCOC)C[C@@](N)(C#N)c1ccccc1 ZINC000045182700 175325753 /nfs/dbraw/zinc/32/57/53/175325753.db2.gz KLYFDFNTAFCCII-HOCLYGCPSA-N 1 2 275.396 2.111 10 30 CEEELO CCN[C@H](C#N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000045308536 175356477 /nfs/dbraw/zinc/35/64/77/175356477.db2.gz YDRTUWYYLRNBMY-QGZVFWFLSA-N 1 2 271.408 2.443 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCn1ccc(C(F)(F)F)n1 ZINC000045322865 175359607 /nfs/dbraw/zinc/35/96/07/175359607.db2.gz PCAHABTVYMBBDE-SNVBAGLBSA-N 1 2 260.263 2.184 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCCOc1ccc2c(c1)OCO2 ZINC000045326321 175359655 /nfs/dbraw/zinc/35/96/55/175359655.db2.gz YSPHRVGDZJGESB-OAHLLOKOSA-N 1 2 276.336 2.466 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCCOCCOC(C)C ZINC000045326256 175359870 /nfs/dbraw/zinc/35/98/70/175359870.db2.gz VPXUIGFGNSSGAK-CQSZACIVSA-N 1 2 256.390 2.490 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1ccccc1[N+](=O)[O-] ZINC000045331113 175360363 /nfs/dbraw/zinc/36/03/63/175360363.db2.gz FNIISWHCQMXXTR-ZDUSSCGKSA-N 1 2 263.297 2.255 10 30 CEEELO N#C[C@@H]([NH3+])CSc1ccccc1Br ZINC000045333209 175360590 /nfs/dbraw/zinc/36/05/90/175360590.db2.gz HZNKOIYWHXWFEH-SSDOTTSWSA-N 1 2 257.156 2.392 10 30 CEEELO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CCC(C)(C)C2)CC1 ZINC000335690475 282024794 /nfs/dbraw/zinc/02/47/94/282024794.db2.gz HEWIXWADEVWFKC-ZDUSSCGKSA-N 1 2 292.427 2.194 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1ccccc1[N+](=O)[O-] ZINC000062448481 520061443 /nfs/dbraw/zinc/06/14/43/520061443.db2.gz VJCYNYPVVJOOTG-NSHDSACASA-N 1 2 263.297 2.255 10 30 CEEELO C[C@@H]1CCC[C@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C1 ZINC000336074649 533868085 /nfs/dbraw/zinc/86/80/85/533868085.db2.gz KPSIZKDPQFRLGD-KGLIPLIRSA-N 1 2 292.427 2.194 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000062449817 519985256 /nfs/dbraw/zinc/98/52/56/519985256.db2.gz LJEIQASNTAMQTM-SNVBAGLBSA-N 1 2 281.287 2.395 10 30 CEEELO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000049614714 523351367 /nfs/dbraw/zinc/35/13/67/523351367.db2.gz JQMUBIWOUCBPSM-DYVFJYSZSA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)cc1C#CCO ZINC000049614714 523351374 /nfs/dbraw/zinc/35/13/74/523351374.db2.gz JQMUBIWOUCBPSM-DYVFJYSZSA-N 1 2 291.366 2.169 10 30 CEEELO O/N=C1\CCc2c1cccc2OCCCn1cc[nH+]c1 ZINC000062800404 527589854 /nfs/dbraw/zinc/58/98/54/527589854.db2.gz HNWMOEGCXMZMJT-SAPNQHFASA-N 1 2 271.320 2.477 10 30 CEEELO CC1(C)C[C@@H]1CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330223552 527706873 /nfs/dbraw/zinc/70/68/73/527706873.db2.gz AHXMBWVKMPZQGO-OLZOCXBDSA-N 1 2 276.384 2.308 10 30 CEEELO CC1(C)C[C@@H]1C[NH+]=C([O-])N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330223552 527706877 /nfs/dbraw/zinc/70/68/77/527706877.db2.gz AHXMBWVKMPZQGO-OLZOCXBDSA-N 1 2 276.384 2.308 10 30 CEEELO CC1CC(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000330150874 528154141 /nfs/dbraw/zinc/15/41/41/528154141.db2.gz VYPHLEGZCWAPCS-MOKVOYLWSA-N 1 2 290.411 2.387 10 30 CEEELO CCC[NH2+][C@](C#N)(CSC[C@H](C)CO)C1CC1 ZINC000091258170 180115424 /nfs/dbraw/zinc/11/54/24/180115424.db2.gz AMVHRJBTWZEQDY-DGCLKSJQSA-N 1 2 256.415 2.020 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCCSC[C@@H](C)CO ZINC000091258196 180115443 /nfs/dbraw/zinc/11/54/43/180115443.db2.gz GVNXHRQGFQCRQI-STQMWFEESA-N 1 2 258.431 2.410 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1Cl ZINC000091749317 180245855 /nfs/dbraw/zinc/24/58/55/180245855.db2.gz HLVGSRLBDSRVGX-NSHDSACASA-N 1 2 270.163 2.291 10 30 CEEELO CCC[C@H](C#N)N1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000092429149 180384065 /nfs/dbraw/zinc/38/40/65/180384065.db2.gz XAAJUTGVVWTAJH-MRXNPFEDSA-N 1 2 272.396 2.200 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)Cn1c2ccccc2nc1CC#N ZINC000110952307 186337112 /nfs/dbraw/zinc/33/71/12/186337112.db2.gz WBWUEIYJXCHMMD-INIZCTEOSA-N 1 2 281.363 2.384 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCSc1ccncn1 ZINC000111115168 186353573 /nfs/dbraw/zinc/35/35/73/186353573.db2.gz FHKKDAUWHKIBOT-LBPRGKRZSA-N 1 2 250.371 2.239 10 30 CEEELO Cc1cc(N2CCC[C@@H]2C[C@H](C)O)c(C#N)c(C)[nH+]1 ZINC000301780834 201194959 /nfs/dbraw/zinc/19/49/59/201194959.db2.gz RSWZQKPETQVOJW-WCQYABFASA-N 1 2 259.353 2.310 10 30 CEEELO Cn1c2ccccc2nc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000111348251 364729572 /nfs/dbraw/zinc/72/95/72/364729572.db2.gz YNMDOFVCPRALLR-NEPJUHHUSA-N 1 2 254.337 2.355 10 30 CEEELO C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000336427268 533611375 /nfs/dbraw/zinc/61/13/75/533611375.db2.gz UIXIIWUPDIOLPV-ZIAGYGMSSA-N 1 2 292.427 2.194 10 30 CEEELO COC(=O)N1CCC(Nc2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301663180 394463627 /nfs/dbraw/zinc/46/36/27/394463627.db2.gz KGIVHMNXXXHFOQ-UHFFFAOYSA-N 1 2 288.351 2.213 10 30 CEEELO COC(=O)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000037257232 173067853 /nfs/dbraw/zinc/06/78/53/173067853.db2.gz VCRGFXQKAYPLTL-FZMZJTMJSA-N 1 2 260.337 2.406 10 30 CEEELO N#Cc1ccnc(-n2cc[nH+]c2-c2ccc(N)cc2)c1 ZINC000040516981 174307581 /nfs/dbraw/zinc/30/75/81/174307581.db2.gz RNFQFXOWWALBIP-UHFFFAOYSA-N 1 2 261.288 2.388 10 30 CEEELO C[N@H+](Cc1cscn1)Cc1sccc1C#CCO ZINC000043682143 175091150 /nfs/dbraw/zinc/09/11/50/175091150.db2.gz LJVNXLVXZKXUQD-UHFFFAOYSA-N 1 2 278.402 2.180 10 30 CEEELO C[N@@H+](Cc1cscn1)Cc1sccc1C#CCO ZINC000043682143 175091152 /nfs/dbraw/zinc/09/11/52/175091152.db2.gz LJVNXLVXZKXUQD-UHFFFAOYSA-N 1 2 278.402 2.180 10 30 CEEELO CCN[C@](C)(C#N)C[N@H+](CCOC)C(CC)CC ZINC000045177818 175324232 /nfs/dbraw/zinc/32/42/32/175324232.db2.gz WXWGOONZVFFXDM-CQSZACIVSA-N 1 2 255.406 2.015 10 30 CEEELO CCN[C@](C)(C#N)C[N@@H+](CCOC)C(CC)CC ZINC000045177818 175324234 /nfs/dbraw/zinc/32/42/34/175324234.db2.gz WXWGOONZVFFXDM-CQSZACIVSA-N 1 2 255.406 2.015 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCN(CC(F)(F)F)C1CC1 ZINC000045181729 175324657 /nfs/dbraw/zinc/32/46/57/175324657.db2.gz OUUYCFFLOOMHQZ-LLVKDONJSA-N 1 2 263.307 2.295 10 30 CEEELO CCN[C@@](C#N)(C[N@H+](C)CC1CC1)c1ccccc1 ZINC000045181481 175325017 /nfs/dbraw/zinc/32/50/17/175325017.db2.gz KRSRMJXWRPKZBV-INIZCTEOSA-N 1 2 257.381 2.357 10 30 CEEELO CCN[C@@](C#N)(C[N@@H+](C)CC1CC1)c1ccccc1 ZINC000045181481 175325019 /nfs/dbraw/zinc/32/50/19/175325019.db2.gz KRSRMJXWRPKZBV-INIZCTEOSA-N 1 2 257.381 2.357 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCN(C)CC(F)(F)F ZINC000045181437 175325087 /nfs/dbraw/zinc/32/50/87/175325087.db2.gz REWGIBBEVOYQSB-JTQLQIEISA-N 1 2 251.296 2.151 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCSc1nccn1C ZINC000045217529 175329613 /nfs/dbraw/zinc/32/96/13/175329613.db2.gz GIPRDYMTSLMIII-GFCCVEGCSA-N 1 2 252.387 2.183 10 30 CEEELO COc1ccc2nc(SCC[C@](C)([NH3+])C#N)[nH]c2c1 ZINC000045218750 175330240 /nfs/dbraw/zinc/33/02/40/175330240.db2.gz BRNNKBLSXGGRJE-ZDUSSCGKSA-N 1 2 276.365 2.295 10 30 CEEELO CCCN[C@@H](C#N)C[N@H+](CCOC)C(CC)CC ZINC000045319493 175359221 /nfs/dbraw/zinc/35/92/21/175359221.db2.gz BLQITHSSBABFNG-ZDUSSCGKSA-N 1 2 255.406 2.015 10 30 CEEELO CCCN[C@@H](C#N)C[N@@H+](CCOC)C(CC)CC ZINC000045319493 175359223 /nfs/dbraw/zinc/35/92/23/175359223.db2.gz BLQITHSSBABFNG-ZDUSSCGKSA-N 1 2 255.406 2.015 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCOC[C@@H]1CCCCO1 ZINC000045326132 175359677 /nfs/dbraw/zinc/35/96/77/175359677.db2.gz IVIUOTJIZPKVSH-UONOGXRCSA-N 1 2 254.374 2.244 10 30 CEEELO N#C[C@H](Cn1cc[nH+]c1-c1ccccc1)NC1CC1 ZINC000045322450 175359951 /nfs/dbraw/zinc/35/99/51/175359951.db2.gz KBTHRSUYHBMYPN-CQSZACIVSA-N 1 2 252.321 2.194 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCOc1ccc(CO)cc1 ZINC000045331928 175360176 /nfs/dbraw/zinc/36/01/76/175360176.db2.gz ZVDRMRUIKBYSKQ-OAHLLOKOSA-N 1 2 262.353 2.230 10 30 CEEELO CNC(=O)[C@H](C)Oc1ccc(Br)cc1/C=[NH+]/C ZINC000252481913 276847012 /nfs/dbraw/zinc/84/70/12/276847012.db2.gz CVDDSGDBSCUPFP-QZNXTOQNSA-N 1 2 299.168 2.011 10 30 CEEELO COc1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc1C#N ZINC000135096015 280037271 /nfs/dbraw/zinc/03/72/71/280037271.db2.gz USBKOFPCIQWVTC-RYUDHWBXSA-N 1 2 260.337 2.176 10 30 CEEELO CCCN[C@](C#N)(C[N@H+](CC)[C@@H](C)COC)C1CC1 ZINC000069079344 520100044 /nfs/dbraw/zinc/10/00/44/520100044.db2.gz LHCJXUITFGDOOS-DZGCQCFKSA-N 1 2 267.417 2.015 10 30 CEEELO CCCN[C@](C#N)(C[N@@H+](CC)[C@@H](C)COC)C1CC1 ZINC000069079344 520100053 /nfs/dbraw/zinc/10/00/53/520100053.db2.gz LHCJXUITFGDOOS-DZGCQCFKSA-N 1 2 267.417 2.015 10 30 CEEELO CCN[C@@](C#N)(C[N@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069080193 520125568 /nfs/dbraw/zinc/12/55/68/520125568.db2.gz OKZGVUCODKQWDZ-BBRMVZONSA-N 1 2 279.428 2.015 10 30 CEEELO CCN[C@@](C#N)(C[N@@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069080193 520125578 /nfs/dbraw/zinc/12/55/78/520125578.db2.gz OKZGVUCODKQWDZ-BBRMVZONSA-N 1 2 279.428 2.015 10 30 CEEELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CCO)cc1F ZINC000049614698 523507274 /nfs/dbraw/zinc/50/72/74/523507274.db2.gz NRDJUNMEUOAFHY-XJKSGUPXSA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#CCO)cc1F ZINC000049614698 523507282 /nfs/dbraw/zinc/50/72/82/523507282.db2.gz NRDJUNMEUOAFHY-XJKSGUPXSA-N 1 2 291.366 2.169 10 30 CEEELO N#C[C@]([NH3+])(CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000069089651 526514824 /nfs/dbraw/zinc/51/48/24/526514824.db2.gz KPFDFJURKIMRRF-LBPRGKRZSA-N 1 2 263.322 2.318 10 30 CEEELO C[C@H]1CCCC[C@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000336427267 365575246 /nfs/dbraw/zinc/57/52/46/365575246.db2.gz UIXIIWUPDIOLPV-UONOGXRCSA-N 1 2 292.427 2.194 10 30 CEEELO O=C(NCc1ccsc1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328616417 344755648 /nfs/dbraw/zinc/75/56/48/344755648.db2.gz BPZORISEWPLBCP-LLVKDONJSA-N 1 2 290.392 2.211 10 30 CEEELO CC[NH2+][C@@]1(C#N)CC[C@@H](n2cc(Br)cn2)C1 ZINC000086623180 179311561 /nfs/dbraw/zinc/31/15/61/179311561.db2.gz JICLQOKECBRLNJ-MNOVXSKESA-N 1 2 283.173 2.242 10 30 CEEELO N#C[C@H]1CCC[N@@H+](C[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893143 180054715 /nfs/dbraw/zinc/05/47/15/180054715.db2.gz APDAXWRLIAILOI-BXUZGUMPSA-N 1 2 260.312 2.365 10 30 CEEELO N#C[C@H]1CCC[N@H+](C[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893143 180054716 /nfs/dbraw/zinc/05/47/16/180054716.db2.gz APDAXWRLIAILOI-BXUZGUMPSA-N 1 2 260.312 2.365 10 30 CEEELO CCOC(=O)[C@H](CC)[NH+]1CCC(C#N)(SC)CC1 ZINC000091470759 180164858 /nfs/dbraw/zinc/16/48/58/180164858.db2.gz FRGOUKVEOUFQHK-NSHDSACASA-N 1 2 270.398 2.049 10 30 CEEELO CC(C)(C)c1ccc(OCCN2CC[NH2+]C[C@@H]2C#N)cc1 ZINC000091748949 180245993 /nfs/dbraw/zinc/24/59/93/180245993.db2.gz VKGNUMJNBFKAFX-HNNXBMFYSA-N 1 2 287.407 2.160 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1Cl ZINC000091749304 180246179 /nfs/dbraw/zinc/24/61/79/180246179.db2.gz NMNAQZRQCMNCTN-LLVKDONJSA-N 1 2 270.163 2.291 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1CCOc1ccc2ccccc2c1 ZINC000091749298 180246342 /nfs/dbraw/zinc/24/63/42/180246342.db2.gz ZFYSTRAETIIFCP-MRXNPFEDSA-N 1 2 281.359 2.016 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2cccc(Br)c2)no1 ZINC000105964807 186095330 /nfs/dbraw/zinc/09/53/30/186095330.db2.gz NFIJITBSJJZAGN-UHFFFAOYSA-N 1 2 292.136 2.222 10 30 CEEELO Cc1cc(NCc2ccc3[nH]c(=O)[nH]c3c2)c(C#N)c(C)[nH+]1 ZINC000302143813 201363996 /nfs/dbraw/zinc/36/39/96/201363996.db2.gz KESFYDUDFWFEFP-UHFFFAOYSA-N 1 2 293.330 2.352 10 30 CEEELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000092708325 364100836 /nfs/dbraw/zinc/10/08/36/364100836.db2.gz YVBWAWJHJLKGIR-LBPRGKRZSA-N 1 2 275.352 2.032 10 30 CEEELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000092708325 364100838 /nfs/dbraw/zinc/10/08/38/364100838.db2.gz YVBWAWJHJLKGIR-LBPRGKRZSA-N 1 2 275.352 2.032 10 30 CEEELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000092708324 364101546 /nfs/dbraw/zinc/10/15/46/364101546.db2.gz YVBWAWJHJLKGIR-GFCCVEGCSA-N 1 2 275.352 2.032 10 30 CEEELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000092708324 364101550 /nfs/dbraw/zinc/10/15/50/364101550.db2.gz YVBWAWJHJLKGIR-GFCCVEGCSA-N 1 2 275.352 2.032 10 30 CEEELO C[C@@H]1COC[C@@H](C)[NH+]1CCOc1ccccc1C#N ZINC000265913351 190217114 /nfs/dbraw/zinc/21/71/14/190217114.db2.gz YJCPIDGNVATGEI-CHWSQXEVSA-N 1 2 260.337 2.046 10 30 CEEELO N#Cc1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267445264 190331354 /nfs/dbraw/zinc/33/13/54/190331354.db2.gz ZNYBTUIBGMLVAL-CYBMUJFWSA-N 1 2 297.318 2.332 10 30 CEEELO CC[NH2+][C@@]1(C#N)CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093806932 184724245 /nfs/dbraw/zinc/72/42/45/184724245.db2.gz XDIYOTFHUKFGAI-RISCZKNCSA-N 1 2 287.392 2.246 10 30 CEEELO Cc1cc(N2CCC[C@@H](c3nncn3C)C2)c(C#N)c(C)[nH+]1 ZINC000301782843 394466432 /nfs/dbraw/zinc/46/64/32/394466432.db2.gz NQDYWBPCTOVKCL-CYBMUJFWSA-N 1 2 296.378 2.083 10 30 CEEELO C=C(Br)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000264002039 394632610 /nfs/dbraw/zinc/63/26/10/394632610.db2.gz AXOODXQKJVFBMA-LLVKDONJSA-N 1 2 270.174 2.466 10 30 CEEELO C=C(Br)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000264002039 394632612 /nfs/dbraw/zinc/63/26/12/394632612.db2.gz AXOODXQKJVFBMA-LLVKDONJSA-N 1 2 270.174 2.466 10 30 CEEELO CCCCNC(=S)N/[NH+]=C(/C)c1cccc(N)c1 ZINC000035596526 172287314 /nfs/dbraw/zinc/28/73/14/172287314.db2.gz PTMHWUPDSNTKAG-YBEGLDIGSA-N 1 2 264.398 2.257 10 30 CEEELO C#CC[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000037388465 173171673 /nfs/dbraw/zinc/17/16/73/173171673.db2.gz AQKCDOPMFNFVDI-UHFFFAOYSA-N 1 2 292.136 2.222 10 30 CEEELO CC(C)N1C(=O)c2ccc(C[NH+](C)C)cc2[C@@H]1C#N ZINC000071680405 176244889 /nfs/dbraw/zinc/24/48/89/176244889.db2.gz LHSLDUJBJRGQFR-AWEZNQCLSA-N 1 2 257.337 2.177 10 30 CEEELO CCCCCCC[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173678607 329150591 /nfs/dbraw/zinc/15/05/91/329150591.db2.gz UXSRYBDCLCAWHP-CYBMUJFWSA-N 1 2 266.389 2.457 10 30 CEEELO CCCCCCC[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173678607 329150592 /nfs/dbraw/zinc/15/05/92/329150592.db2.gz UXSRYBDCLCAWHP-CYBMUJFWSA-N 1 2 266.389 2.457 10 30 CEEELO CCCCCCC[N@@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173678607 329150594 /nfs/dbraw/zinc/15/05/94/329150594.db2.gz UXSRYBDCLCAWHP-CYBMUJFWSA-N 1 2 266.389 2.457 10 30 CEEELO CCCCCCC[N@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173678607 329150595 /nfs/dbraw/zinc/15/05/95/329150595.db2.gz UXSRYBDCLCAWHP-CYBMUJFWSA-N 1 2 266.389 2.457 10 30 CEEELO CCC[NH2+][C@@]1(C#N)CCC[C@@H](Sc2nnc(C)n2C)C1 ZINC000093747645 517590034 /nfs/dbraw/zinc/59/00/34/517590034.db2.gz RGKIYISDMSWCCM-OCCSQVGLSA-N 1 2 293.440 2.420 10 30 CEEELO C#Cc1cccc(NC(=O)[C@@H]2COCC[N@H+]2CCCC)c1 ZINC000184216463 518364653 /nfs/dbraw/zinc/36/46/53/518364653.db2.gz PFBBIVZWLSKDSW-INIZCTEOSA-N 1 2 286.375 2.107 10 30 CEEELO C#Cc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2CCCC)c1 ZINC000184216463 518364658 /nfs/dbraw/zinc/36/46/58/518364658.db2.gz PFBBIVZWLSKDSW-INIZCTEOSA-N 1 2 286.375 2.107 10 30 CEEELO CCCNC(=O)[C@@H](C)[NH2+][C@@H](CC#N)c1ccccc1 ZINC000055018036 519888448 /nfs/dbraw/zinc/88/84/48/519888448.db2.gz VVRSWDXOTWQMPN-OCCSQVGLSA-N 1 2 259.353 2.146 10 30 CEEELO CC1(C)COCC[N@@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049614843 520504393 /nfs/dbraw/zinc/50/43/93/520504393.db2.gz VECVWPZWKAZYDR-UHFFFAOYSA-N 1 2 291.366 2.170 10 30 CEEELO CC1(C)COCC[N@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049614843 520504400 /nfs/dbraw/zinc/50/44/00/520504400.db2.gz VECVWPZWKAZYDR-UHFFFAOYSA-N 1 2 291.366 2.170 10 30 CEEELO CC[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000050817211 521323052 /nfs/dbraw/zinc/32/30/52/521323052.db2.gz YJSNCRUVXWCBQH-SNVBAGLBSA-N 1 2 262.313 2.159 10 30 CEEELO CC[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000050817211 521323054 /nfs/dbraw/zinc/32/30/54/521323054.db2.gz YJSNCRUVXWCBQH-SNVBAGLBSA-N 1 2 262.313 2.159 10 30 CEEELO CCc1[nH+]c2ccccc2n1C[C@H](C#N)NC(C)C ZINC000062807930 522504261 /nfs/dbraw/zinc/50/42/61/522504261.db2.gz QXUUEKPVTWILJY-LBPRGKRZSA-N 1 2 256.353 2.489 10 30 CEEELO C[C@@H]1C[N@@H+](Cc2ccc(C#CCCO)cc2F)C[C@H](C)O1 ZINC000049615877 524991583 /nfs/dbraw/zinc/99/15/83/524991583.db2.gz BQDPANATDZHNBA-OKILXGFUSA-N 1 2 291.366 2.169 10 30 CEEELO C[C@@H]1C[N@H+](Cc2ccc(C#CCCO)cc2F)C[C@H](C)O1 ZINC000049615877 524991593 /nfs/dbraw/zinc/99/15/93/524991593.db2.gz BQDPANATDZHNBA-OKILXGFUSA-N 1 2 291.366 2.169 10 30 CEEELO Cc1cnc(C[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000061321393 526039860 /nfs/dbraw/zinc/03/98/60/526039860.db2.gz ZWXBSEVJDCFFSI-UHFFFAOYSA-N 1 2 256.284 2.086 10 30 CEEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000061892263 526513866 /nfs/dbraw/zinc/51/38/66/526513866.db2.gz QKGATGDSXZHGBE-YPMHNXCESA-N 1 2 252.321 2.412 10 30 CEEELO N#Cc1cc(Cl)ccc1Sc1nc(N)cc(N)[nH+]1 ZINC000052859954 526553970 /nfs/dbraw/zinc/55/39/70/526553970.db2.gz HFWYABQJQMZSKQ-UHFFFAOYSA-N 1 2 277.740 2.317 10 30 CEEELO N#Cc1ccccc1Oc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061520783 526747747 /nfs/dbraw/zinc/74/77/47/526747747.db2.gz UOHUAOWMBSADOR-UHFFFAOYSA-N 1 2 298.693 2.375 10 30 CEEELO C#CC[NH2+][C@@]1(C(=O)OC)CCC[C@@H](C(C)C)CC1 ZINC000086950105 179369001 /nfs/dbraw/zinc/36/90/01/179369001.db2.gz XUKRMOZJOLXJJA-HIFRSBDPSA-N 1 2 251.370 2.357 10 30 CEEELO N#CCc1nc2ccccc2n1Cc1cccc(N)[nH+]1 ZINC000092372299 180370810 /nfs/dbraw/zinc/37/08/10/180370810.db2.gz ZIBNOBXNQCPYFI-UHFFFAOYSA-N 1 2 263.304 2.128 10 30 CEEELO CCC[C@@H](C#N)N1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000092429145 180384329 /nfs/dbraw/zinc/38/43/29/180384329.db2.gz XAAJUTGVVWTAJH-INIZCTEOSA-N 1 2 272.396 2.200 10 30 CEEELO N#Cc1ccc(N2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000110259145 186289585 /nfs/dbraw/zinc/28/95/85/186289585.db2.gz MONBHIMIYNETLK-CYBMUJFWSA-N 1 2 291.782 2.123 10 30 CEEELO CC(C)(C#N)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000110513910 186299922 /nfs/dbraw/zinc/29/99/22/186299922.db2.gz DJWOSHGJJRYAHW-UHFFFAOYSA-N 1 2 261.344 2.245 10 30 CEEELO N#CCN1CCC(Nc2cn[nH+]c3ccccc23)CC1 ZINC000110824742 186327154 /nfs/dbraw/zinc/32/71/54/186327154.db2.gz JSASHTWCDOZJOR-UHFFFAOYSA-N 1 2 267.336 2.030 10 30 CEEELO Cc1cc(N2CCC[C@@H]2C[C@@H](C)O)c(C#N)c(C)[nH+]1 ZINC000133145616 366200343 /nfs/dbraw/zinc/20/03/43/366200343.db2.gz RSWZQKPETQVOJW-DGCLKSJQSA-N 1 2 259.353 2.310 10 30 CEEELO C=C(Br)C[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161412497 367083878 /nfs/dbraw/zinc/08/38/78/367083878.db2.gz XIAWCNMJRMTRMP-LLVKDONJSA-N 1 2 299.216 2.386 10 30 CEEELO C=C(Br)C[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161412497 367083884 /nfs/dbraw/zinc/08/38/84/367083884.db2.gz XIAWCNMJRMTRMP-LLVKDONJSA-N 1 2 299.216 2.386 10 30 CEEELO C#CC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246536216 370974357 /nfs/dbraw/zinc/97/43/57/370974357.db2.gz CSNBSORCRDOZMS-STQMWFEESA-N 1 2 269.266 2.446 10 30 CEEELO C#CC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246536216 370974361 /nfs/dbraw/zinc/97/43/61/370974361.db2.gz CSNBSORCRDOZMS-STQMWFEESA-N 1 2 269.266 2.446 10 30 CEEELO Cc1cc(N2CCC[C@H]([C@H](C)O)C2)c(C#N)c(C)[nH+]1 ZINC000301772075 379302172 /nfs/dbraw/zinc/30/21/72/379302172.db2.gz JWFKNNZCDGBZOL-STQMWFEESA-N 1 2 259.353 2.167 10 30 CEEELO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061891071 394568821 /nfs/dbraw/zinc/56/88/21/394568821.db2.gz BTVVBARPSCAOMI-DGCLKSJQSA-N 1 2 290.363 2.494 10 30 CEEELO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000061891043 394569051 /nfs/dbraw/zinc/56/90/51/394569051.db2.gz CREGSZYYISDEBL-BXUZGUMPSA-N 1 2 260.337 2.486 10 30 CEEELO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CCCCCC1 ZINC000044766598 175249409 /nfs/dbraw/zinc/24/94/09/175249409.db2.gz WAMMLQFTGFJJDO-CYBMUJFWSA-N 1 2 274.368 2.252 10 30 CEEELO N#Cc1ccc(NCCCCn2cc[nH+]c2)c(N)c1 ZINC000045105721 175307393 /nfs/dbraw/zinc/30/73/93/175307393.db2.gz UVMUWCWNHNNDMV-UHFFFAOYSA-N 1 2 255.325 2.229 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCCOC[C@@H]1CCOC1 ZINC000045332108 175360415 /nfs/dbraw/zinc/36/04/15/175360415.db2.gz MGUZDOSXUQEURU-KBPBESRZSA-N 1 2 254.374 2.100 10 30 CEEELO C[NH+](C)CCN1C(=O)c2ccc(C(F)(F)F)cc2[C@@H]1C#N ZINC000071680927 176245074 /nfs/dbraw/zinc/24/50/74/176245074.db2.gz XZBYRHIHGOWSMK-LBPRGKRZSA-N 1 2 297.280 2.287 10 30 CEEELO N#CCCC[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121547297 260711542 /nfs/dbraw/zinc/71/15/42/260711542.db2.gz BMIWKNZROZTFNY-RISCZKNCSA-N 1 2 266.291 2.376 10 30 CEEELO N#CCCC[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121547297 260711546 /nfs/dbraw/zinc/71/15/46/260711546.db2.gz BMIWKNZROZTFNY-RISCZKNCSA-N 1 2 266.291 2.376 10 30 CEEELO CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329382392 280391639 /nfs/dbraw/zinc/39/16/39/280391639.db2.gz OKSHSVKDMZNXIH-OUCADQQQSA-N 1 2 277.368 2.216 10 30 CEEELO CCCN[C@](C#N)(C[N@@H+]1CCC[C@H](OCC)C1)C1CC1 ZINC000069081187 520099582 /nfs/dbraw/zinc/09/95/82/520099582.db2.gz CYXBZGDLKZKLGQ-JKSUJKDBSA-N 1 2 279.428 2.159 10 30 CEEELO CCCN[C@](C#N)(C[N@H+]1CCC[C@H](OCC)C1)C1CC1 ZINC000069081187 520099590 /nfs/dbraw/zinc/09/95/90/520099590.db2.gz CYXBZGDLKZKLGQ-JKSUJKDBSA-N 1 2 279.428 2.159 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1ccc2c(c1)OCO2 ZINC000062444023 520062339 /nfs/dbraw/zinc/06/23/39/520062339.db2.gz PTMQXVGDPNEZOJ-NSHDSACASA-N 1 2 262.309 2.076 10 30 CEEELO CCc1[nH+]c2ccccc2n1C[C@H](C#N)NC1CC1 ZINC000062807932 522503904 /nfs/dbraw/zinc/50/39/04/522503904.db2.gz NSNRENOFSPTPFR-LBPRGKRZSA-N 1 2 254.337 2.243 10 30 CEEELO C[N@H+](Cc1ccoc1)Cc1ccc(C#CCO)cc1F ZINC000049614330 523476452 /nfs/dbraw/zinc/47/64/52/523476452.db2.gz CWEKEIGDMDWROP-UHFFFAOYSA-N 1 2 273.307 2.395 10 30 CEEELO C[N@@H+](Cc1ccoc1)Cc1ccc(C#CCO)cc1F ZINC000049614330 523476462 /nfs/dbraw/zinc/47/64/62/523476462.db2.gz CWEKEIGDMDWROP-UHFFFAOYSA-N 1 2 273.307 2.395 10 30 CEEELO CC[C@@H]1CO[C@@H](C)CN1C[C@](C#N)([NH2+]C(C)C)C1CC1 ZINC000069080418 523509065 /nfs/dbraw/zinc/50/90/65/523509065.db2.gz WWCVFYXYERVFHM-IMJJTQAJSA-N 1 2 279.428 2.156 10 30 CEEELO CC[C@H](C)NC(=O)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000156570231 523969933 /nfs/dbraw/zinc/96/99/33/523969933.db2.gz ZGUAIJSZZZTHKN-JTQLQIEISA-N 1 2 274.368 2.287 10 30 CEEELO N#Cc1cc(-n2cc[nH+]c2-c2ccc(N)cc2)ccn1 ZINC000061812837 526538028 /nfs/dbraw/zinc/53/80/28/526538028.db2.gz FPERPAVLRKADPY-UHFFFAOYSA-N 1 2 261.288 2.388 10 30 CEEELO N#Cc1ccc(Nc2nc(Cl)nc(-n3cc[nH+]c3)n2)cc1 ZINC000061534882 526668054 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364572707 /nfs/dbraw/zinc/57/27/07/364572707.db2.gz FYJDRCUHVKDLQQ-LLVKDONJSA-N 1 2 289.217 2.276 10 30 CEEELO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000101733315 364572711 /nfs/dbraw/zinc/57/27/11/364572711.db2.gz FYJDRCUHVKDLQQ-LLVKDONJSA-N 1 2 289.217 2.276 10 30 CEEELO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000061891074 394569168 /nfs/dbraw/zinc/56/91/68/394569168.db2.gz BTVVBARPSCAOMI-AAEUAGOBSA-N 1 2 290.363 2.494 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2ncccc2C)c1N ZINC000040708925 174380289 /nfs/dbraw/zinc/38/02/89/174380289.db2.gz BCMGIQWAWOTIGT-UHFFFAOYSA-N 1 2 256.313 2.104 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2ccc(C)cn2)c1N ZINC000040709117 174380827 /nfs/dbraw/zinc/38/08/27/174380827.db2.gz XXIUNISAVWQNSD-UHFFFAOYSA-N 1 2 256.313 2.104 10 30 CEEELO C=CCNc1nc[nH+]c(Nc2ccc(OC)cc2)c1N ZINC000040708999 174380929 /nfs/dbraw/zinc/38/09/29/174380929.db2.gz URASWRDPBKDFEI-UHFFFAOYSA-N 1 2 271.324 2.409 10 30 CEEELO O=C(NCC1CCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330252947 228081818 /nfs/dbraw/zinc/08/18/18/228081818.db2.gz OOYLBJCJOZEDGT-CYBMUJFWSA-N 1 2 262.357 2.062 10 30 CEEELO [O-]C(=[NH+]CC1CCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330252947 228081819 /nfs/dbraw/zinc/08/18/19/228081819.db2.gz OOYLBJCJOZEDGT-CYBMUJFWSA-N 1 2 262.357 2.062 10 30 CEEELO CO[C@H]1CN(c2cc(C)[nH+]c(C)c2C#N)CC[C@H]1C ZINC000299922082 277344070 /nfs/dbraw/zinc/34/40/70/277344070.db2.gz RKHTWBFSXSXZJO-BMIGLBTASA-N 1 2 259.353 2.431 10 30 CEEELO CC(C)N[C@](C#N)(C[N@H+](C)C[C@@H]1CCCOC1)C1CC1 ZINC000069083875 519738940 /nfs/dbraw/zinc/73/89/40/519738940.db2.gz YGSXYURFHQOJMO-GOEBONIOSA-N 1 2 279.428 2.015 10 30 CEEELO CC(C)N[C@](C#N)(C[N@@H+](C)C[C@@H]1CCCOC1)C1CC1 ZINC000069083875 519738943 /nfs/dbraw/zinc/73/89/43/519738943.db2.gz YGSXYURFHQOJMO-GOEBONIOSA-N 1 2 279.428 2.015 10 30 CEEELO CC[N@H+](CC1CC1)C[C@@](C#N)(NC)c1ccccc1 ZINC000069239373 520957892 /nfs/dbraw/zinc/95/78/92/520957892.db2.gz MBALEXQWFRIPKJ-MRXNPFEDSA-N 1 2 257.381 2.357 10 30 CEEELO CC[N@@H+](CC1CC1)C[C@@](C#N)(NC)c1ccccc1 ZINC000069239373 520957901 /nfs/dbraw/zinc/95/79/01/520957901.db2.gz MBALEXQWFRIPKJ-MRXNPFEDSA-N 1 2 257.381 2.357 10 30 CEEELO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000184427581 518631842 /nfs/dbraw/zinc/63/18/42/518631842.db2.gz WZVLGXUETLAIGN-UONOGXRCSA-N 1 2 261.369 2.476 10 30 CEEELO CC[C@@H](C)NC(=O)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000156570096 522156924 /nfs/dbraw/zinc/15/69/24/522156924.db2.gz ZGUAIJSZZZTHKN-SNVBAGLBSA-N 1 2 274.368 2.287 10 30 CEEELO C[N@H+](Cc1ccccc1N)Cc1cccnc1C#N ZINC000061659256 523372520 /nfs/dbraw/zinc/37/25/20/523372520.db2.gz ZSYRSWJTHAHERE-UHFFFAOYSA-N 1 2 252.321 2.167 10 30 CEEELO C[N@@H+](Cc1ccccc1N)Cc1cccnc1C#N ZINC000061659256 523372529 /nfs/dbraw/zinc/37/25/29/523372529.db2.gz ZSYRSWJTHAHERE-UHFFFAOYSA-N 1 2 252.321 2.167 10 30 CEEELO Cc1[nH+]c[nH]c1CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC000330115615 534717994 /nfs/dbraw/zinc/71/79/94/534717994.db2.gz UGKGJNLIPIXNRB-SNVBAGLBSA-N 1 2 276.296 2.062 10 30 CEEELO Cc1cc(C)c(OC[C@@]([NH3+])(C#N)C2CC2)c([N+](=O)[O-])c1 ZINC000069089074 524311901 /nfs/dbraw/zinc/31/19/01/524311901.db2.gz AFQUPFCEPRVJDW-AWEZNQCLSA-N 1 2 275.308 2.222 10 30 CEEELO N#Cc1ccc(Sc2nc(N)cc(N)[nH+]2)c(Cl)c1 ZINC000062794201 526686559 /nfs/dbraw/zinc/68/65/59/526686559.db2.gz ZHFJQGFHFWZXAR-UHFFFAOYSA-N 1 2 277.740 2.317 10 30 CEEELO N#Cc1ccccc1Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061534701 526743979 /nfs/dbraw/zinc/74/39/79/526743979.db2.gz HVYQXYYNUDITJK-UHFFFAOYSA-N 1 2 297.709 2.326 10 30 CEEELO CC1CC(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000330150875 528153168 /nfs/dbraw/zinc/15/31/68/528153168.db2.gz VYPHLEGZCWAPCS-ROKHWSDSSA-N 1 2 290.411 2.387 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@@H](C)Sc1nncs1 ZINC000082797130 178301579 /nfs/dbraw/zinc/30/15/79/178301579.db2.gz ICRUBDYFEUMAID-SCZZXKLOSA-N 1 2 256.400 2.301 10 30 CEEELO COc1cc(OC)c(C[NH2+][C@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000061891799 362697827 /nfs/dbraw/zinc/69/78/27/362697827.db2.gz OOKCLRWSYBNGLW-RISCZKNCSA-N 1 2 290.363 2.494 10 30 CEEELO Cn1c[nH+]cc1[C@H](O)[C@@]1(C#N)CCCc2ccccc21 ZINC000091904341 180282921 /nfs/dbraw/zinc/28/29/21/180282921.db2.gz JGKBXHFADYXCKY-JKSUJKDBSA-N 1 2 267.332 2.251 10 30 CEEELO Cc1cc(NC(=O)c2ccc(C#CCCO)cc2)cc[nH+]1 ZINC000092365921 180368991 /nfs/dbraw/zinc/36/89/91/180368991.db2.gz RXWJZSIHTAGNNB-UHFFFAOYSA-N 1 2 280.327 2.376 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCn1c2ccccc2nc1CC#N ZINC000110952294 186337157 /nfs/dbraw/zinc/33/71/57/186337157.db2.gz AYNCUHPYWBAFSS-MRXNPFEDSA-N 1 2 281.363 2.384 10 30 CEEELO N#Cc1cnc(N2CCC[C@@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000176967490 189017374 /nfs/dbraw/zinc/01/73/74/189017374.db2.gz UQEYHJWPLVXYAX-GFCCVEGCSA-N 1 2 287.754 2.472 10 30 CEEELO C=CCCC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112668261 364825090 /nfs/dbraw/zinc/82/50/90/364825090.db2.gz HWEGACVIWLKUQB-UHFFFAOYSA-N 1 2 261.369 2.394 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000189991299 369585706 /nfs/dbraw/zinc/58/57/06/369585706.db2.gz PBVICHRCYPKRSD-CYBMUJFWSA-N 1 2 264.350 2.147 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000189991299 369585711 /nfs/dbraw/zinc/58/57/11/369585711.db2.gz PBVICHRCYPKRSD-CYBMUJFWSA-N 1 2 264.350 2.147 10 30 CEEELO CCN(CC(F)(F)F)[C@@H]1CCC[C@@](C#N)([NH2+]C)C1 ZINC000093742848 184711031 /nfs/dbraw/zinc/71/10/31/184711031.db2.gz NNJHCEQDLPTONX-GHMZBOCLSA-N 1 2 263.307 2.295 10 30 CEEELO CCc1nnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000195117195 153276254 /nfs/dbraw/zinc/27/62/54/153276254.db2.gz QJTFDBUHXCFMIF-UHFFFAOYSA-N 1 2 295.390 2.414 10 30 CEEELO CCc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000195117195 153276259 /nfs/dbraw/zinc/27/62/59/153276259.db2.gz QJTFDBUHXCFMIF-UHFFFAOYSA-N 1 2 295.390 2.414 10 30 CEEELO CC(C)=CC[N@H+]1Cc2c3c(ccc2C#N)[nH]c(=O)n3C[C@@H]1C ZINC000006495325 170207239 /nfs/dbraw/zinc/20/72/39/170207239.db2.gz XFKIIUKARDMMDU-LBPRGKRZSA-N 1 2 296.374 2.372 10 30 CEEELO CC(C)=CC[N@@H+]1Cc2c3c(ccc2C#N)[nH]c(=O)n3C[C@@H]1C ZINC000006495325 170207240 /nfs/dbraw/zinc/20/72/40/170207240.db2.gz XFKIIUKARDMMDU-LBPRGKRZSA-N 1 2 296.374 2.372 10 30 CEEELO CCC[N@H+](C/C(N)=N/O)Cc1ccc(Cl)s1 ZINC000045092567 175306169 /nfs/dbraw/zinc/30/61/69/175306169.db2.gz ZCTSVEQWSGPANW-UHFFFAOYSA-N 1 2 261.778 2.360 10 30 CEEELO CCC[N@@H+](C/C(N)=N/O)Cc1ccc(Cl)s1 ZINC000045092567 175306170 /nfs/dbraw/zinc/30/61/70/175306170.db2.gz ZCTSVEQWSGPANW-UHFFFAOYSA-N 1 2 261.778 2.360 10 30 CEEELO CCN[C@@](C#N)(C[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000045180739 175324568 /nfs/dbraw/zinc/32/45/68/175324568.db2.gz WNTWAQQZXMKRPX-KRWDZBQOSA-N 1 2 287.407 2.126 10 30 CEEELO CC(C)N[C@](C#N)(Cn1cc[nH+]c1)c1ccccc1 ZINC000045183630 175326093 /nfs/dbraw/zinc/32/60/93/175326093.db2.gz NWCNDSXYHAWEJR-OAHLLOKOSA-N 1 2 254.337 2.300 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCCOC[C@@H]1CCCO1 ZINC000045325214 175359719 /nfs/dbraw/zinc/35/97/19/175359719.db2.gz KOVWPXCDTLSZEV-KBPBESRZSA-N 1 2 254.374 2.242 10 30 CEEELO C[C@@](C#N)(CCCn1cc(Cl)cn1)[NH2+]C1CC1 ZINC000045322208 175359908 /nfs/dbraw/zinc/35/99/08/175359908.db2.gz KLRZHTSMHULTRH-LBPRGKRZSA-N 1 2 252.749 2.351 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1ccc(C#N)cc1[N+](=O)[O-] ZINC000045332431 175360832 /nfs/dbraw/zinc/36/08/32/175360832.db2.gz YKXSKTGKEBZWBE-CQSZACIVSA-N 1 2 288.307 2.127 10 30 CEEELO CC[NH+](CC)CCN1C(=O)c2ccc(F)cc2[C@@H]1C#N ZINC000071678387 176243746 /nfs/dbraw/zinc/24/37/46/176243746.db2.gz POOYRQOIHYMLQC-AWEZNQCLSA-N 1 2 275.327 2.188 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1ccc(C#N)cc1[N+](=O)[O-] ZINC000062449877 520059868 /nfs/dbraw/zinc/05/98/68/520059868.db2.gz CAMORHRLTBDBEU-LBPRGKRZSA-N 1 2 288.307 2.127 10 30 CEEELO N#Cc1c(Cl)cccc1Sc1nc(N)cc(N)[nH+]1 ZINC000052909233 526519897 /nfs/dbraw/zinc/51/98/97/526519897.db2.gz RKNKXJZDIDFZGN-UHFFFAOYSA-N 1 2 277.740 2.317 10 30 CEEELO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC#N)CC1 ZINC000095762878 185026095 /nfs/dbraw/zinc/02/60/95/185026095.db2.gz GLLYOSSOZQFJJJ-UHFFFAOYSA-N 1 2 286.375 2.497 10 30 CEEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000061891905 362697449 /nfs/dbraw/zinc/69/74/49/362697449.db2.gz UMFLIJPEVRCJIA-AAEUAGOBSA-N 1 2 258.321 2.240 10 30 CEEELO C[NH2+][C@](C)(C#N)CCSc1nc(C)c(C)c(C)n1 ZINC000086644616 179316048 /nfs/dbraw/zinc/31/60/48/179316048.db2.gz RQMQBMSJPKWXGM-ZDUSSCGKSA-N 1 2 264.398 2.386 10 30 CEEELO C[C@H](CO)CSCCC[C@@](C)(C#N)[NH2+]C1CC1 ZINC000091258311 180115545 /nfs/dbraw/zinc/11/55/45/180115545.db2.gz WUGIUBOBNMXHOI-YPMHNXCESA-N 1 2 256.415 2.162 10 30 CEEELO CSC1(C#N)CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000091476229 180165830 /nfs/dbraw/zinc/16/58/30/180165830.db2.gz RYTTVYAPUGLAFQ-UHFFFAOYSA-N 1 2 281.337 2.409 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2ccc3ccccc3n2)no1 ZINC000092481494 180394926 /nfs/dbraw/zinc/39/49/26/180394926.db2.gz BXMNYFFUQZHLPU-UHFFFAOYSA-N 1 2 264.288 2.008 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000110513883 186299961 /nfs/dbraw/zinc/29/99/61/186299961.db2.gz MJCVYGQNBGGNRQ-AWEZNQCLSA-N 1 2 288.351 2.015 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCSc1cnccn1 ZINC000110914402 186332577 /nfs/dbraw/zinc/33/25/77/186332577.db2.gz LBMPBFNKZYZFIU-LBPRGKRZSA-N 1 2 250.371 2.241 10 30 CEEELO CCCOCCOCCCC[C@](C)(C#N)[NH2+]CC ZINC000111110220 186353324 /nfs/dbraw/zinc/35/33/24/186353324.db2.gz BGNAXHNDRKIOKQ-CQSZACIVSA-N 1 2 256.390 2.492 10 30 CEEELO N#CC[N@@H+](C[C@@H](O)COCc1ccccc1)C1CCCC1 ZINC000078003451 363548943 /nfs/dbraw/zinc/54/89/43/363548943.db2.gz HDIZYFOKAIGFEZ-QGZVFWFLSA-N 1 2 288.391 2.332 10 30 CEEELO N#CC[N@H+](C[C@@H](O)COCc1ccccc1)C1CCCC1 ZINC000078003451 363548949 /nfs/dbraw/zinc/54/89/49/363548949.db2.gz HDIZYFOKAIGFEZ-QGZVFWFLSA-N 1 2 288.391 2.332 10 30 CEEELO Cc1cc(NCc2cccc(C(N)=O)c2)c(C#N)c(C)[nH+]1 ZINC000301771937 201188703 /nfs/dbraw/zinc/18/87/03/201188703.db2.gz JMYJHGQYAWHDHN-UHFFFAOYSA-N 1 2 280.331 2.281 10 30 CEEELO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186682057 270251306 /nfs/dbraw/zinc/25/13/06/270251306.db2.gz IYINNFPJNGJVAE-HNNXBMFYSA-N 1 2 291.782 2.312 10 30 CEEELO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186682057 270251309 /nfs/dbraw/zinc/25/13/09/270251309.db2.gz IYINNFPJNGJVAE-HNNXBMFYSA-N 1 2 291.782 2.312 10 30 CEEELO CCc1nc(CC)n([C@H]2CC[C@@](C#N)([NH2+]C(C)C)C2)n1 ZINC000093804150 184723773 /nfs/dbraw/zinc/72/37/73/184723773.db2.gz OUQPWZRSGDSMLA-SWLSCSKDSA-N 1 2 275.400 2.388 10 30 CEEELO CCC[NH2+][C@@]1(C#N)CC[C@H](Sc2cnccn2)C1 ZINC000093807106 184724050 /nfs/dbraw/zinc/72/40/50/184724050.db2.gz JIAZAQOSVPVMFF-AAEUAGOBSA-N 1 2 262.382 2.383 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCN(C)CC(F)(F)F ZINC000045181435 175324715 /nfs/dbraw/zinc/32/47/15/175324715.db2.gz ZNYMGEKMKJJEMM-SNVBAGLBSA-N 1 2 251.296 2.152 10 30 CEEELO CC[C@@H]1CCC[N@H+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045181060 175324879 /nfs/dbraw/zinc/32/48/79/175324879.db2.gz QHJNJAJHHAJRHD-ZBFHGGJFSA-N 1 2 257.381 2.486 10 30 CEEELO CC[C@@H]1CCC[N@@H+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045181060 175324880 /nfs/dbraw/zinc/32/48/80/175324880.db2.gz QHJNJAJHHAJRHD-ZBFHGGJFSA-N 1 2 257.381 2.486 10 30 CEEELO CCN[C@](C#N)(C[N@H+](C)C1CCOCC1)c1ccccc1 ZINC000045181202 175325026 /nfs/dbraw/zinc/32/50/26/175325026.db2.gz YDCRZTSGSKWFSV-QGZVFWFLSA-N 1 2 287.407 2.126 10 30 CEEELO CCN[C@](C#N)(C[N@@H+](C)C1CCOCC1)c1ccccc1 ZINC000045181202 175325028 /nfs/dbraw/zinc/32/50/28/175325028.db2.gz YDCRZTSGSKWFSV-QGZVFWFLSA-N 1 2 287.407 2.126 10 30 CEEELO CCC1CC[NH+](C[C@@](N)(C#N)c2ccccc2)CC1 ZINC000045183214 175325448 /nfs/dbraw/zinc/32/54/48/175325448.db2.gz HJAPSLSITZKWII-INIZCTEOSA-N 1 2 257.381 2.486 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCOC[C@@H]1CCCCO1 ZINC000045208410 175328651 /nfs/dbraw/zinc/32/86/51/175328651.db2.gz HGQHTRIFUJSVBY-KBPBESRZSA-N 1 2 254.374 2.244 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCOc1cccc(CO)c1 ZINC000045215594 175329490 /nfs/dbraw/zinc/32/94/90/175329490.db2.gz OIRKOYUXWRUIQA-HNNXBMFYSA-N 1 2 262.353 2.228 10 30 CEEELO COCC[N@H+](CCC#N)Cc1ccc(N)c2cccnc12 ZINC000071221769 176087475 /nfs/dbraw/zinc/08/74/75/176087475.db2.gz WRFOCSLUYYWAOT-UHFFFAOYSA-N 1 2 284.363 2.179 10 30 CEEELO COCC[N@@H+](CCC#N)Cc1ccc(N)c2cccnc12 ZINC000071221769 176087476 /nfs/dbraw/zinc/08/74/76/176087476.db2.gz WRFOCSLUYYWAOT-UHFFFAOYSA-N 1 2 284.363 2.179 10 30 CEEELO Cn1ccnc1CNC1=[NH+][C@H](c2ccccc2)CS1 ZINC000071274573 176106037 /nfs/dbraw/zinc/10/60/37/176106037.db2.gz HDRJUXVYVUXRJC-LBPRGKRZSA-N 1 2 272.377 2.354 10 30 CEEELO CC(C)CN1C(=O)c2ccc(C[NH+](C)C)cc2[C@@H]1C#N ZINC000071680411 176244615 /nfs/dbraw/zinc/24/46/15/176244615.db2.gz RSFNSPBFEXRLRJ-HNNXBMFYSA-N 1 2 271.364 2.425 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1ccccc1[N+](=O)[O-] ZINC000062448483 519985400 /nfs/dbraw/zinc/98/54/00/519985400.db2.gz VJCYNYPVVJOOTG-LLVKDONJSA-N 1 2 263.297 2.255 10 30 CEEELO CCC[NH2+][C@@](C#N)(Cn1nc(C)c(C)c1C)C1CC1 ZINC000069084415 520031741 /nfs/dbraw/zinc/03/17/41/520031741.db2.gz JXTWUBHQDAQLPM-HNNXBMFYSA-N 1 2 260.385 2.480 10 30 CEEELO CCC[NH2+][C@](C#N)(CSCCCOC)C1CC1 ZINC000069095068 520100258 /nfs/dbraw/zinc/10/02/58/520100258.db2.gz HFNUDJGGNHKAMX-CYBMUJFWSA-N 1 2 256.415 2.428 10 30 CEEELO CC1(C)COCC[N@@H+]1Cc1ccc(F)c(C#CCCO)c1 ZINC000049614873 520504842 /nfs/dbraw/zinc/50/48/42/520504842.db2.gz QUHMMFCRRYIBPC-UHFFFAOYSA-N 1 2 291.366 2.170 10 30 CEEELO CC1(C)COCC[N@H+]1Cc1ccc(F)c(C#CCCO)c1 ZINC000049614873 520504847 /nfs/dbraw/zinc/50/48/47/520504847.db2.gz QUHMMFCRRYIBPC-UHFFFAOYSA-N 1 2 291.366 2.170 10 30 CEEELO CNc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000050815388 522606554 /nfs/dbraw/zinc/60/65/54/522606554.db2.gz CZOUPRIPNGYHGS-JTQLQIEISA-N 1 2 262.313 2.228 10 30 CEEELO CNc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000050815388 522606560 /nfs/dbraw/zinc/60/65/60/522606560.db2.gz CZOUPRIPNGYHGS-JTQLQIEISA-N 1 2 262.313 2.228 10 30 CEEELO COc1ccc(O[C@@H](C)C[C@](C)([NH3+])C#N)c([N+](=O)[O-])c1 ZINC000068622626 524983442 /nfs/dbraw/zinc/98/34/42/524983442.db2.gz WDALSEXMKREDQL-ZANVPECISA-N 1 2 279.296 2.002 10 30 CEEELO COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C[C@@](C)([NH3+])C#N ZINC000068622654 525471983 /nfs/dbraw/zinc/47/19/83/525471983.db2.gz YUPOMEFFNFGECK-TVQRCGJNSA-N 1 2 279.296 2.002 10 30 CEEELO Cc1noc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)n1 ZINC000038034194 526621883 /nfs/dbraw/zinc/62/18/83/526621883.db2.gz VVTUHMCXNKMRER-SNVBAGLBSA-N 1 2 272.308 2.131 10 30 CEEELO O=C(NC[C@H]1CCn2cc[nH+]c2C1)c1cccc2c[nH]nc21 ZINC000328628340 344756117 /nfs/dbraw/zinc/75/61/17/344756117.db2.gz NQBUURZDZPBMRW-NSHDSACASA-N 1 2 295.346 2.327 10 30 CEEELO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)sn1 ZINC000399128615 344856808 /nfs/dbraw/zinc/85/68/08/344856808.db2.gz NSJMCERVOZNKAI-MWLCHTKSSA-N 1 2 251.355 2.324 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC000086140469 179236272 /nfs/dbraw/zinc/23/62/72/179236272.db2.gz SEPJSJKVVQEWBH-UHFFFAOYSA-N 1 2 298.165 2.283 10 30 CEEELO Cn1c[nH+]cc1[C@H](O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000091904323 180283576 /nfs/dbraw/zinc/28/35/76/180283576.db2.gz IPGNYPXEXAVBKX-HOTGVXAUSA-N 1 2 267.332 2.152 10 30 CEEELO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)n2c1 ZINC000091978930 180296890 /nfs/dbraw/zinc/29/68/90/180296890.db2.gz QFJMPLQYXZXZLX-HOTGVXAUSA-N 1 2 296.374 2.349 10 30 CEEELO N#Cc1ccc2ncc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)n2c1 ZINC000091978930 180296892 /nfs/dbraw/zinc/29/68/92/180296892.db2.gz QFJMPLQYXZXZLX-HOTGVXAUSA-N 1 2 296.374 2.349 10 30 CEEELO C#CC[NH2+]Cc1nc([C@H]2CCCc3ccccc32)no1 ZINC000092481503 180394772 /nfs/dbraw/zinc/39/47/72/180394772.db2.gz KUQVCDQBWAKTMW-AWEZNQCLSA-N 1 2 267.332 2.261 10 30 CEEELO CC(C)(C#N)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000109459611 186253702 /nfs/dbraw/zinc/25/37/02/186253702.db2.gz JJGXLNWWPUGYRD-UHFFFAOYSA-N 1 2 288.351 2.015 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000109454454 186254492 /nfs/dbraw/zinc/25/44/92/186254492.db2.gz URHQEWKUEZNEJL-CQSZACIVSA-N 1 2 291.370 2.254 10 30 CEEELO C#CCn1c(N)c(-c2cncn2C)[nH+]c1C1CCCC1 ZINC000116801664 186725514 /nfs/dbraw/zinc/72/55/14/186725514.db2.gz WLOJULSISZPQQL-UHFFFAOYSA-N 1 2 269.352 2.157 10 30 CEEELO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)n2c1 ZINC000245542857 370836160 /nfs/dbraw/zinc/83/61/60/370836160.db2.gz QFJMPLQYXZXZLX-HZPDHXFCSA-N 1 2 296.374 2.349 10 30 CEEELO N#Cc1ccc2ncc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)n2c1 ZINC000245542857 370836164 /nfs/dbraw/zinc/83/61/64/370836164.db2.gz QFJMPLQYXZXZLX-HZPDHXFCSA-N 1 2 296.374 2.349 10 30 CEEELO CS[C@H](CO)[C@@H](C)Nc1cc(C)[nH+]c(C)c1C#N ZINC000219764512 394461294 /nfs/dbraw/zinc/46/12/94/394461294.db2.gz FZNIREZYTZHWLU-ZWNOBZJWSA-N 1 2 265.382 2.094 10 30 CEEELO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1CCc2ccccc21 ZINC000329736976 394582007 /nfs/dbraw/zinc/58/20/07/394582007.db2.gz SUWUELMWUXEEIN-OCCSQVGLSA-N 1 2 296.374 2.458 10 30 CEEELO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCc2ccccc21 ZINC000329736976 394582010 /nfs/dbraw/zinc/58/20/10/394582010.db2.gz SUWUELMWUXEEIN-OCCSQVGLSA-N 1 2 296.374 2.458 10 30 CEEELO C=CCNC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040295678 174223552 /nfs/dbraw/zinc/22/35/52/174223552.db2.gz DRNGQXXISQTXIQ-UHFFFAOYSA-N 1 2 257.337 2.462 10 30 CEEELO CC[N@@H+](Cc1ccc(C#CCCO)s1)C[C@@H](C)C#N ZINC000043679949 175090567 /nfs/dbraw/zinc/09/05/67/175090567.db2.gz FIJLCIOJJZOSMY-ZDUSSCGKSA-N 1 2 276.405 2.464 10 30 CEEELO CC[N@H+](Cc1ccc(C#CCCO)s1)C[C@@H](C)C#N ZINC000043679949 175090568 /nfs/dbraw/zinc/09/05/68/175090568.db2.gz FIJLCIOJJZOSMY-ZDUSSCGKSA-N 1 2 276.405 2.464 10 30 CEEELO CN(CCC[C@](C)(C#N)[NH2+]C1CC1)CC(F)(F)F ZINC000045312565 175357477 /nfs/dbraw/zinc/35/74/77/175357477.db2.gz ROBHAYGHJNXJIA-LLVKDONJSA-N 1 2 263.307 2.295 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCCCOCCCOC ZINC000045323201 175359570 /nfs/dbraw/zinc/35/95/70/175359570.db2.gz DZRYSAULETYQNG-CQSZACIVSA-N 1 2 256.390 2.492 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCOC[C@H]1CCCCO1 ZINC000045326133 175359589 /nfs/dbraw/zinc/35/95/89/175359589.db2.gz IVIUOTJIZPKVSH-KGLIPLIRSA-N 1 2 254.374 2.244 10 30 CEEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cccnc2s1 ZINC000333650703 228208229 /nfs/dbraw/zinc/20/82/29/228208229.db2.gz UTIUFDNENCHRLJ-ZJUUUORDSA-N 1 2 258.350 2.473 10 30 CEEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cccnc2s1 ZINC000333650701 228208247 /nfs/dbraw/zinc/20/82/47/228208247.db2.gz UTIUFDNENCHRLJ-UWVGGRQHSA-N 1 2 258.350 2.473 10 30 CEEELO COc1ccc(C[NH+]2[C@H](C)COC[C@H]2C)cc1C#N ZINC000135096033 280037594 /nfs/dbraw/zinc/03/75/94/280037594.db2.gz USBKOFPCIQWVTC-VXGBXAGGSA-N 1 2 260.337 2.176 10 30 CEEELO CCCCCCC[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173678593 329150484 /nfs/dbraw/zinc/15/04/84/329150484.db2.gz UXSRYBDCLCAWHP-ZDUSSCGKSA-N 1 2 266.389 2.457 10 30 CEEELO CCCCCCC[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173678593 329150485 /nfs/dbraw/zinc/15/04/85/329150485.db2.gz UXSRYBDCLCAWHP-ZDUSSCGKSA-N 1 2 266.389 2.457 10 30 CEEELO CCCCCCC[N@@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173678593 329150486 /nfs/dbraw/zinc/15/04/86/329150486.db2.gz UXSRYBDCLCAWHP-ZDUSSCGKSA-N 1 2 266.389 2.457 10 30 CEEELO CCCCCCC[N@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173678593 329150487 /nfs/dbraw/zinc/15/04/87/329150487.db2.gz UXSRYBDCLCAWHP-ZDUSSCGKSA-N 1 2 266.389 2.457 10 30 CEEELO CC[NH2+][C@@](C)(C#N)C[C@H](C)Sc1nnc2ccccn21 ZINC000068626579 520130335 /nfs/dbraw/zinc/13/03/35/520130335.db2.gz XNUVOMNSJVPWJM-SMDDNHRTSA-N 1 2 289.408 2.492 10 30 CEEELO CC[NH2+][C@@](C)(C#N)C[C@@H](C)Oc1ccc2c(c1)OCO2 ZINC000068619083 520131147 /nfs/dbraw/zinc/13/11/47/520131147.db2.gz ZUJGTAQMHGMZCC-IAQYHMDHSA-N 1 2 276.336 2.464 10 30 CEEELO Cc1cc(C)nc(SCC[C@H](C#N)[NH2+]C(C)C)n1 ZINC000062458175 524599028 /nfs/dbraw/zinc/59/90/28/524599028.db2.gz UTEFLXBLSOKHTF-GFCCVEGCSA-N 1 2 264.398 2.466 10 30 CEEELO Cc1nn(CC[C@H](C#N)[NH2+]C(C)C)c(C)c1Cl ZINC000062440878 526281571 /nfs/dbraw/zinc/28/15/71/526281571.db2.gz KNQJBQUUKDRWMT-LLVKDONJSA-N 1 2 254.765 2.434 10 30 CEEELO N#Cc1ccc(-c2[nH+]c(C3CCCC3)n(N)c2N)cc1 ZINC000052839564 526582544 /nfs/dbraw/zinc/58/25/44/526582544.db2.gz HXTYIIHWZBUINA-UHFFFAOYSA-N 1 2 267.336 2.375 10 30 CEEELO CC[NH2+][C@@](C)(C#N)C[C@H](C)Sc1nncs1 ZINC000082797133 178301273 /nfs/dbraw/zinc/30/12/73/178301273.db2.gz ICRUBDYFEUMAID-WCBMZHEXSA-N 1 2 256.400 2.301 10 30 CEEELO C[NH2+][C@@](C)(C#N)C[C@H](C)Sc1nnc(C)s1 ZINC000082797172 178301601 /nfs/dbraw/zinc/30/16/01/178301601.db2.gz VXCULKFOUVETGT-OIBJUYFYSA-N 1 2 256.400 2.219 10 30 CEEELO O=C(NC[C@H]1CCn2cc[nH+]c2C1)Nc1ccc(F)cn1 ZINC000328629336 344756614 /nfs/dbraw/zinc/75/66/14/344756614.db2.gz ORRAXNFKCGPCPI-JTQLQIEISA-N 1 2 289.314 2.006 10 30 CEEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000061892265 362696761 /nfs/dbraw/zinc/69/67/61/362696761.db2.gz QKGATGDSXZHGBE-AAEUAGOBSA-N 1 2 252.321 2.412 10 30 CEEELO CCC[NH2+][C@@](C#N)(CSC[C@H](C)CO)C1CC1 ZINC000091258172 180115390 /nfs/dbraw/zinc/11/53/90/180115390.db2.gz AMVHRJBTWZEQDY-YPMHNXCESA-N 1 2 256.415 2.020 10 30 CEEELO Cc1oc(-c2cccs2)nc1CN1CC[NH2+]C[C@H]1C#N ZINC000091748650 180246266 /nfs/dbraw/zinc/24/62/66/180246266.db2.gz LCILGJTYMMJOHA-LLVKDONJSA-N 1 2 288.376 2.009 10 30 CEEELO CCn1c[nH+]cc1[C@@H](O)[C@@]1(C#N)CCc2ccccc21 ZINC000091904392 180283225 /nfs/dbraw/zinc/28/32/25/180283225.db2.gz JKOMUZSQEBSOGT-HZPDHXFCSA-N 1 2 267.332 2.344 10 30 CEEELO C=C(Br)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105909937 186089789 /nfs/dbraw/zinc/08/97/89/186089789.db2.gz KTQAVJQBVZROEO-UHFFFAOYSA-N 1 2 297.200 2.262 10 30 CEEELO Cc1cc(NC(=O)c2cccc(C#CCCO)c2)cc[nH+]1 ZINC000092365876 180368969 /nfs/dbraw/zinc/36/89/69/180368969.db2.gz UGDKMWSUVYZPLG-UHFFFAOYSA-N 1 2 280.327 2.376 10 30 CEEELO CCC[C@@H](C#N)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000109458077 186254339 /nfs/dbraw/zinc/25/43/39/186254339.db2.gz RROZWWRFYXDBDI-SFHVURJKSA-N 1 2 281.403 2.348 10 30 CEEELO Cc1cc(NC2CCN(CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000110824861 186327192 /nfs/dbraw/zinc/32/71/92/186327192.db2.gz MBUSTUZWXAINRP-UHFFFAOYSA-N 1 2 273.384 2.308 10 30 CEEELO Cc1cc(N(C)CC2(O)CCCC2)c(C#N)c(C)[nH+]1 ZINC000124192404 187126267 /nfs/dbraw/zinc/12/62/67/187126267.db2.gz ZXNKKLVCVVOIMZ-UHFFFAOYSA-N 1 2 259.353 2.311 10 30 CEEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCS[C@@H](C)C1 ZINC000134343980 366309872 /nfs/dbraw/zinc/30/98/72/366309872.db2.gz FNODFVBJQUKOPI-RYUDHWBXSA-N 1 2 289.404 2.323 10 30 CEEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCS[C@@H](C)C1 ZINC000134343980 366309879 /nfs/dbraw/zinc/30/98/79/366309879.db2.gz FNODFVBJQUKOPI-RYUDHWBXSA-N 1 2 289.404 2.323 10 30 CEEELO C#CCNC(=O)c1ccccc1NCc1[nH+]ccn1C(C)C ZINC000176966936 189017738 /nfs/dbraw/zinc/01/77/38/189017738.db2.gz ROYBTOSSBGELTO-UHFFFAOYSA-N 1 2 296.374 2.439 10 30 CEEELO O=C(c1ccc(F)cc1)N(O)C[NH+]1CCCCC1 ZINC000031982234 361724256 /nfs/dbraw/zinc/72/42/56/361724256.db2.gz VEDBRFQGVWSKBO-UHFFFAOYSA-N 1 2 252.289 2.101 10 30 CEEELO COCCOCC[C@@H]1CCC[C@]1(C#N)[NH2+]C(C)C ZINC000093577712 184692104 /nfs/dbraw/zinc/69/21/04/184692104.db2.gz AHFSVRDKXCNGNO-UONOGXRCSA-N 1 2 254.374 2.100 10 30 CEEELO CC(C)[NH2+][C@]1(C#N)CCC[C@@H](OC[C@@H]2CCCO2)C1 ZINC000093745204 184712412 /nfs/dbraw/zinc/71/24/12/184712412.db2.gz BZJWPKJUPYKTPP-QLFBSQMISA-N 1 2 266.385 2.385 10 30 CEEELO CCSc1nnc(N[NH+]=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000005928753 170156348 /nfs/dbraw/zinc/15/63/48/170156348.db2.gz YQXTVFXDQUWQLR-NTEUORMPSA-N 1 2 290.396 2.429 10 30 CEEELO Cc1[nH+]c2cccc(Br)n2c1CC#N ZINC000036244427 172543987 /nfs/dbraw/zinc/54/39/87/172543987.db2.gz IKMHNYPHWIPHLU-UHFFFAOYSA-N 1 2 250.099 2.471 10 30 CEEELO CC(C)O[NH+]=C(N)c1ccc(Br)cc1 ZINC000038314086 174139653 /nfs/dbraw/zinc/13/96/53/174139653.db2.gz VTEPBAYTNHVKDD-UHFFFAOYSA-N 1 2 257.131 2.494 10 30 CEEELO CC[N@@H+](Cc1cc(C#CCO)cs1)C[C@H](C)C#N ZINC000043698687 175097011 /nfs/dbraw/zinc/09/70/11/175097011.db2.gz ZENZEOSNRUZHJA-GFCCVEGCSA-N 1 2 262.378 2.073 10 30 CEEELO CC[N@H+](Cc1cc(C#CCO)cs1)C[C@H](C)C#N ZINC000043698687 175097013 /nfs/dbraw/zinc/09/70/13/175097013.db2.gz ZENZEOSNRUZHJA-GFCCVEGCSA-N 1 2 262.378 2.073 10 30 CEEELO CC(C)[C@H](C#N)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000044809223 175257440 /nfs/dbraw/zinc/25/74/40/175257440.db2.gz OSXIDQIMGNVSQR-JKSUJKDBSA-N 1 2 285.391 2.297 10 30 CEEELO CC(C)[C@H](C#N)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000044809223 175257443 /nfs/dbraw/zinc/25/74/43/175257443.db2.gz OSXIDQIMGNVSQR-JKSUJKDBSA-N 1 2 285.391 2.297 10 30 CEEELO CCCN[C@@](C)(C#N)C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045177469 175323269 /nfs/dbraw/zinc/32/32/69/175323269.db2.gz REZQWSFGEJINNY-ZFWWWQNUSA-N 1 2 267.417 2.015 10 30 CEEELO CCCN[C@@](C)(C#N)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000045177469 175323271 /nfs/dbraw/zinc/32/32/71/175323271.db2.gz REZQWSFGEJINNY-ZFWWWQNUSA-N 1 2 267.417 2.015 10 30 CEEELO Cc1[nH+]c2ccccc2n1C[C@@](C)(C#N)NC1CC1 ZINC000045183564 175326054 /nfs/dbraw/zinc/32/60/54/175326054.db2.gz ZFGVTQGADQWUJG-OAHLLOKOSA-N 1 2 254.337 2.379 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCOC[C@@H]1CCCCO1 ZINC000045208414 175328873 /nfs/dbraw/zinc/32/88/73/175328873.db2.gz AYLVXEQZXCPJAP-KBPBESRZSA-N 1 2 254.374 2.242 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCSc1ncc(C)cn1 ZINC000045220982 175329967 /nfs/dbraw/zinc/32/99/67/175329967.db2.gz MKZUTZBUFNVWOY-GFCCVEGCSA-N 1 2 250.371 2.159 10 30 CEEELO CC(C)N1C(=O)c2ccc(C[NH+](C)C)cc2[C@H]1C#N ZINC000071680404 176244744 /nfs/dbraw/zinc/24/47/44/176244744.db2.gz LHSLDUJBJRGQFR-CQSZACIVSA-N 1 2 257.337 2.177 10 30 CEEELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cncnc1 ZINC000329068191 227281518 /nfs/dbraw/zinc/28/15/18/227281518.db2.gz XKHGSFPKJPFXRL-DGCLKSJQSA-N 1 2 283.335 2.232 10 30 CEEELO Cc1cccc2c(N3CCO[C@@H](C#N)C3)cc[nH+]c12 ZINC000301669275 281267222 /nfs/dbraw/zinc/26/72/22/281267222.db2.gz NDTGARYRQRHNNY-LBPRGKRZSA-N 1 2 253.305 2.272 10 30 CEEELO C=CCNC(=O)c1ccccc1NCc1[nH+]ccn1CC ZINC000123939959 329564805 /nfs/dbraw/zinc/56/48/05/329564805.db2.gz GMADBVGNKNZSBP-UHFFFAOYSA-N 1 2 284.363 2.431 10 30 CEEELO CCCN[C@@](C#N)(C[N@H+](CC)C[C@@H]1CCCO1)C1CC1 ZINC000069079575 520028796 /nfs/dbraw/zinc/02/87/96/520028796.db2.gz VIVAEGYOXJYIMQ-HOTGVXAUSA-N 1 2 279.428 2.159 10 30 CEEELO CCCN[C@@](C#N)(C[N@@H+](CC)C[C@@H]1CCCO1)C1CC1 ZINC000069079575 520028807 /nfs/dbraw/zinc/02/88/07/520028807.db2.gz VIVAEGYOXJYIMQ-HOTGVXAUSA-N 1 2 279.428 2.159 10 30 CEEELO CCC[NH2+][C@@](C#N)(CN(CC)C[C@@H]1CCCO1)C1CC1 ZINC000069079575 520028817 /nfs/dbraw/zinc/02/88/17/520028817.db2.gz VIVAEGYOXJYIMQ-HOTGVXAUSA-N 1 2 279.428 2.159 10 30 CEEELO CCN(CC[C@@H](C#N)[NH2+]C(C)C)CC(F)(F)F ZINC000062435782 521155045 /nfs/dbraw/zinc/15/50/45/521155045.db2.gz NHEZIZLTPRJXLV-JTQLQIEISA-N 1 2 251.296 2.151 10 30 CEEELO N#Cc1cc(Cn2cc[nH+]c2-c2cccc(N)c2)ccn1 ZINC000068755265 526556441 /nfs/dbraw/zinc/55/64/41/526556441.db2.gz UKPZOCCJBHLTLA-UHFFFAOYSA-N 1 2 275.315 2.447 10 30 CEEELO C[NH2+][C@](C)(C#N)C[C@H](C)n1cc(Br)cn1 ZINC000082795272 178300292 /nfs/dbraw/zinc/30/02/92/178300292.db2.gz TWUDLMDIDPNFNJ-WPRPVWTQSA-N 1 2 271.162 2.098 10 30 CEEELO Cc1cc(N2CCC([C@H](C)O)CC2)c(C#N)c(C)[nH+]1 ZINC000227593647 136387663 /nfs/dbraw/zinc/38/76/63/136387663.db2.gz JQZMUFCOLXGSMO-LBPRGKRZSA-N 1 2 259.353 2.167 10 30 CEEELO CC1(C)C(c2ccccc2)=[N+](O)[C@@]2(CCCCC2=O)N1O ZINC000225399845 344545283 /nfs/dbraw/zinc/54/52/83/344545283.db2.gz IGDWFAJCGGNJAD-INIZCTEOSA-N 1 2 289.355 2.200 10 30 CEEELO Cc1nscc1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328637917 344757154 /nfs/dbraw/zinc/75/71/54/344757154.db2.gz WCEVHIRRUACUPM-JTQLQIEISA-N 1 2 276.365 2.215 10 30 CEEELO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000597195373 346146447 /nfs/dbraw/zinc/14/64/47/346146447.db2.gz HESGOJHFOJNUQD-MWLCHTKSSA-N 1 2 297.200 2.355 10 30 CEEELO COc1cc(OC)c(C[NH2+][C@@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000061891800 362696662 /nfs/dbraw/zinc/69/66/62/362696662.db2.gz OOKCLRWSYBNGLW-SMDDNHRTSA-N 1 2 290.363 2.494 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1cccc(C(F)(F)F)c1 ZINC000091749078 180246282 /nfs/dbraw/zinc/24/62/82/180246282.db2.gz UVUKNBOGEBGJRA-GFCCVEGCSA-N 1 2 269.270 2.003 10 30 CEEELO Cc1cc(OCCN2CC[NH2+]C[C@H]2C#N)ccc1C(C)C ZINC000091748107 180244765 /nfs/dbraw/zinc/24/47/65/180244765.db2.gz UDCQWQMLEWEPKU-OAHLLOKOSA-N 1 2 287.407 2.295 10 30 CEEELO CCn1c[nH+]cc1[C@H](O)[C@@]1(C#N)CCc2ccccc21 ZINC000091904391 180283281 /nfs/dbraw/zinc/28/32/81/180283281.db2.gz JKOMUZSQEBSOGT-JKSUJKDBSA-N 1 2 267.332 2.344 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000109455810 186253966 /nfs/dbraw/zinc/25/39/66/186253966.db2.gz UTSBEPPFQVRVIN-CQSZACIVSA-N 1 2 279.334 2.385 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCn1c2ccccc2nc1CC#N ZINC000110952290 186336471 /nfs/dbraw/zinc/33/64/71/186336471.db2.gz JKSSTPRVXZZLQR-MRXNPFEDSA-N 1 2 281.363 2.384 10 30 CEEELO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000111043770 186347632 /nfs/dbraw/zinc/34/76/32/186347632.db2.gz DGSOSJYKCBBHQD-UHFFFAOYSA-N 1 2 291.307 2.202 10 30 CEEELO C[C@@](C#N)(C[NH+]1CCc2ccccc2CC1)NC1CC1 ZINC000079574666 184593587 /nfs/dbraw/zinc/59/35/87/184593587.db2.gz ROCDXJLMVZGDGM-QGZVFWFLSA-N 1 2 269.392 2.121 10 30 CEEELO CC[N@H+](CCC#N)Cc1sccc1C#CCCO ZINC000043680527 175090420 /nfs/dbraw/zinc/09/04/20/175090420.db2.gz WFUJTGUWEQVMHV-UHFFFAOYSA-N 1 2 262.378 2.218 10 30 CEEELO CC[N@@H+](CCC#N)Cc1sccc1C#CCCO ZINC000043680527 175090421 /nfs/dbraw/zinc/09/04/21/175090421.db2.gz WFUJTGUWEQVMHV-UHFFFAOYSA-N 1 2 262.378 2.218 10 30 CEEELO CN[C@](C#N)(C[N@H+](CCOC)CC(C)C)c1ccccc1 ZINC000045182019 175325885 /nfs/dbraw/zinc/32/58/85/175325885.db2.gz YWFSOGFRFRBJKU-QGZVFWFLSA-N 1 2 289.423 2.229 10 30 CEEELO CN[C@](C#N)(C[N@@H+](CCOC)CC(C)C)c1ccccc1 ZINC000045182019 175325887 /nfs/dbraw/zinc/32/58/87/175325887.db2.gz YWFSOGFRFRBJKU-QGZVFWFLSA-N 1 2 289.423 2.229 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCOC[C@H]1CCCCO1 ZINC000045208416 175328717 /nfs/dbraw/zinc/32/87/17/175328717.db2.gz AYLVXEQZXCPJAP-KGLIPLIRSA-N 1 2 254.374 2.242 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCOC[C@@H]1CCCCO1 ZINC000045208415 175328866 /nfs/dbraw/zinc/32/88/66/175328866.db2.gz AYLVXEQZXCPJAP-UONOGXRCSA-N 1 2 254.374 2.242 10 30 CEEELO CC[NH+](CC)CCN1C(=O)c2c(cccc2F)[C@@H]1C#N ZINC000071678305 176243065 /nfs/dbraw/zinc/24/30/65/176243065.db2.gz JHYJNEATJLTXOH-ZDUSSCGKSA-N 1 2 275.327 2.188 10 30 CEEELO CC(C)[NH2+][C@@](C#N)(CN(C)CC(F)(F)F)C1CC1 ZINC000069078694 519735161 /nfs/dbraw/zinc/73/51/61/519735161.db2.gz CQUBBIBGLOWWRG-NSHDSACASA-N 1 2 263.307 2.151 10 30 CEEELO CCCN[C@@](C#N)(C[N@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069080203 520029073 /nfs/dbraw/zinc/02/90/73/520029073.db2.gz QNAGUHOGAXMWFY-YOEHRIQHSA-N 1 2 293.455 2.405 10 30 CEEELO CCCN[C@@](C#N)(C[N@@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069080203 520029081 /nfs/dbraw/zinc/02/90/81/520029081.db2.gz QNAGUHOGAXMWFY-YOEHRIQHSA-N 1 2 293.455 2.405 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCn1nc(C)c(Cl)c1C ZINC000050587987 520224826 /nfs/dbraw/zinc/22/48/26/520224826.db2.gz OQMKDETVSNGHKE-LBPRGKRZSA-N 1 2 254.765 2.435 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@H](C)Sc1nnc2ccccn21 ZINC000068626575 520228151 /nfs/dbraw/zinc/22/81/51/520228151.db2.gz XNUVOMNSJVPWJM-FZMZJTMJSA-N 1 2 289.408 2.492 10 30 CEEELO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](C)C#N ZINC000050815393 522645157 /nfs/dbraw/zinc/64/51/57/522645157.db2.gz ACJHTCHRRDLKSJ-SNVBAGLBSA-N 1 2 262.313 2.228 10 30 CEEELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](C)C#N ZINC000050815393 522645163 /nfs/dbraw/zinc/64/51/63/522645163.db2.gz ACJHTCHRRDLKSJ-SNVBAGLBSA-N 1 2 262.313 2.228 10 30 CEEELO N#Cc1ncccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000061657610 526790521 /nfs/dbraw/zinc/79/05/21/526790521.db2.gz UVTJXPJEFWHMQD-UHFFFAOYSA-N 1 2 268.276 2.151 10 30 CEEELO Cn1cc[nH+]c1[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccco1 ZINC000061892254 527464565 /nfs/dbraw/zinc/46/45/65/527464565.db2.gz MXERHYBOULRNLE-YRGRVCCFSA-N 1 2 270.336 2.384 10 30 CEEELO C[NH2+][C@](C)(C#N)C[C@@H](C)n1cc(Br)cn1 ZINC000082795273 178301090 /nfs/dbraw/zinc/30/10/90/178301090.db2.gz TWUDLMDIDPNFNJ-SCZZXKLOSA-N 1 2 271.162 2.098 10 30 CEEELO C[NH+](C)C1(C#N)CCC2(CC1)OCC(C)(C)CO2 ZINC000078846684 343964784 /nfs/dbraw/zinc/96/47/84/343964784.db2.gz ZRWXZSPOZVWPHR-UHFFFAOYSA-N 1 2 252.358 2.154 10 30 CEEELO Cc1cc(C#N)ccc1CN1CCn2cc[nH+]c2C1 ZINC000165477325 344474272 /nfs/dbraw/zinc/47/42/72/344474272.db2.gz QWEFHUJEUOPMFJ-UHFFFAOYSA-N 1 2 252.321 2.079 10 30 CEEELO Cc1ccc(NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000328625765 344756590 /nfs/dbraw/zinc/75/65/90/344756590.db2.gz KZHOVOPUJDVPDL-LBPRGKRZSA-N 1 2 285.351 2.175 10 30 CEEELO N#Cc1ccc(Cl)cc1NC(=O)c1cccc(NN)[nH+]1 ZINC000086113048 179234228 /nfs/dbraw/zinc/23/42/28/179234228.db2.gz UTENQQRCJMJIRM-UHFFFAOYSA-N 1 2 287.710 2.145 10 30 CEEELO C#CC[NH2+][C@]1(C(=O)OC)CCC[C@H](C(C)C)CC1 ZINC000086950104 179368396 /nfs/dbraw/zinc/36/83/96/179368396.db2.gz XUKRMOZJOLXJJA-DZGCQCFKSA-N 1 2 251.370 2.357 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000092481486 180394427 /nfs/dbraw/zinc/39/44/27/180394427.db2.gz LPYBKQVQFGDSPW-UHFFFAOYSA-N 1 2 265.675 2.252 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCCOCCOCCC ZINC000111110215 186353387 /nfs/dbraw/zinc/35/33/87/186353387.db2.gz WGUZAVRHHROLNQ-CQSZACIVSA-N 1 2 256.390 2.492 10 30 CEEELO CCC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC#Cc1ccccc1)C2 ZINC000031350315 361712469 /nfs/dbraw/zinc/71/24/69/361712469.db2.gz AQDHMDFRPGSAQA-CALCHBBNSA-N 1 2 282.387 2.123 10 30 CEEELO CCC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC000031350315 361712471 /nfs/dbraw/zinc/71/24/71/361712471.db2.gz AQDHMDFRPGSAQA-CALCHBBNSA-N 1 2 282.387 2.123 10 30 CEEELO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000101733319 364572850 /nfs/dbraw/zinc/57/28/50/364572850.db2.gz FYJDRCUHVKDLQQ-NSHDSACASA-N 1 2 289.217 2.276 10 30 CEEELO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000101733319 364572854 /nfs/dbraw/zinc/57/28/54/364572854.db2.gz FYJDRCUHVKDLQQ-NSHDSACASA-N 1 2 289.217 2.276 10 30 CEEELO Cn1c2ccccc2nc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000111348255 364729032 /nfs/dbraw/zinc/72/90/32/364729032.db2.gz YNMDOFVCPRALLR-RYUDHWBXSA-N 1 2 254.337 2.355 10 30 CEEELO C=CCCCCC[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000193362542 369933463 /nfs/dbraw/zinc/93/34/63/369933463.db2.gz CDWNWSUFCHULCY-ZDUSSCGKSA-N 1 2 264.373 2.233 10 30 CEEELO C=CCCCCC[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000193362542 369933469 /nfs/dbraw/zinc/93/34/69/369933469.db2.gz CDWNWSUFCHULCY-ZDUSSCGKSA-N 1 2 264.373 2.233 10 30 CEEELO C=CCCCCC[N@@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000193362542 369933472 /nfs/dbraw/zinc/93/34/72/369933472.db2.gz CDWNWSUFCHULCY-ZDUSSCGKSA-N 1 2 264.373 2.233 10 30 CEEELO C=CCCCCC[N@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000193362542 369933476 /nfs/dbraw/zinc/93/34/76/369933476.db2.gz CDWNWSUFCHULCY-ZDUSSCGKSA-N 1 2 264.373 2.233 10 30 CEEELO C[NH2+][C@]1(C#N)CCC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC000093745914 184711754 /nfs/dbraw/zinc/71/17/54/184711754.db2.gz OQUXPQHNCICWLX-SMDDNHRTSA-N 1 2 275.308 2.398 10 30 CEEELO CC#CCC[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000155331429 395027419 /nfs/dbraw/zinc/02/74/19/395027419.db2.gz DMOKTLLKISHTSA-GFCCVEGCSA-N 1 2 250.367 2.238 10 30 CEEELO CC#CCC[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000155331429 395027422 /nfs/dbraw/zinc/02/74/22/395027422.db2.gz DMOKTLLKISHTSA-GFCCVEGCSA-N 1 2 250.367 2.238 10 30 CEEELO C=CCCCCCN(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000153624075 395012435 /nfs/dbraw/zinc/01/24/35/395012435.db2.gz ZVBXKMPSRTZYLO-HNNXBMFYSA-N 1 2 297.443 2.095 10 30 CEEELO Cc1cc(NCc2nnc(C(C)C)n2C)c(C#N)c(C)[nH+]1 ZINC000302192024 154185092 /nfs/dbraw/zinc/18/50/92/154185092.db2.gz VXPBQFPQMHZEMV-UHFFFAOYSA-N 1 2 284.367 2.434 10 30 CEEELO C=CCNC(=S)N/N=C(\C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000004864682 170032886 /nfs/dbraw/zinc/03/28/86/170032886.db2.gz WQKICPXULLINDG-LDADJPATSA-N 1 2 299.403 2.246 10 30 CEEELO C=CCNc1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687281 174376044 /nfs/dbraw/zinc/37/60/44/174376044.db2.gz VNIJPZDMGNQTIK-UHFFFAOYSA-N 1 2 267.336 2.351 10 30 CEEELO CCN[C@@](C)(C#N)C[N@H+](CCOC)C(CC)CC ZINC000045177820 175324352 /nfs/dbraw/zinc/32/43/52/175324352.db2.gz WXWGOONZVFFXDM-AWEZNQCLSA-N 1 2 255.406 2.015 10 30 CEEELO CCN[C@@](C)(C#N)C[N@@H+](CCOC)C(CC)CC ZINC000045177820 175324353 /nfs/dbraw/zinc/32/43/53/175324353.db2.gz WXWGOONZVFFXDM-AWEZNQCLSA-N 1 2 255.406 2.015 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCOc1ccc2c(c1)OCO2 ZINC000045208764 175328800 /nfs/dbraw/zinc/32/88/00/175328800.db2.gz XCJKJZYLDTZQLR-OAHLLOKOSA-N 1 2 276.336 2.466 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCn1cc(Br)cn1 ZINC000045322399 175359542 /nfs/dbraw/zinc/35/95/42/175359542.db2.gz DDKCAFPRRSLOJM-LLVKDONJSA-N 1 2 285.189 2.318 10 30 CEEELO CCCCOCCOCCC[C@@](C)(C#N)[NH2+]CC ZINC000045324163 175359670 /nfs/dbraw/zinc/35/96/70/175359670.db2.gz LOZWJGLHWMKNHB-AWEZNQCLSA-N 1 2 256.390 2.492 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000045331400 175360047 /nfs/dbraw/zinc/36/00/47/175360047.db2.gz LUCJSESFUHHWNZ-AWEZNQCLSA-N 1 2 293.323 2.264 10 30 CEEELO CCCc1cc(=O)[nH]c(SCCCC[C@@](C)([NH3+])C#N)n1 ZINC000045364259 175362313 /nfs/dbraw/zinc/36/23/13/175362313.db2.gz QMPJVWOYPWMBPZ-CQSZACIVSA-N 1 2 294.424 2.226 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1cc(OC)cc(OC)c1 ZINC000071139092 176037689 /nfs/dbraw/zinc/03/76/89/176037689.db2.gz NXUVHZYOYVOQQH-LBPRGKRZSA-N 1 2 278.352 2.364 10 30 CEEELO C[NH+](C)CCN1C(=O)c2ccc(C(F)(F)F)cc2[C@H]1C#N ZINC000071680926 176244702 /nfs/dbraw/zinc/24/47/02/176244702.db2.gz XZBYRHIHGOWSMK-GFCCVEGCSA-N 1 2 297.280 2.287 10 30 CEEELO C[NH+](C)Cc1ccc2c(c1)[C@H](C#N)N(c1cccnc1)C2=O ZINC000071680442 176244714 /nfs/dbraw/zinc/24/47/14/176244714.db2.gz YWPJZMVWAVQXHJ-INIZCTEOSA-N 1 2 292.342 2.368 10 30 CEEELO C[NH+](C)Cc1ccc2c(c1)C(C#N)N(c1cccnc1)C2=O ZINC000071680442 176244715 /nfs/dbraw/zinc/24/47/15/176244715.db2.gz YWPJZMVWAVQXHJ-INIZCTEOSA-N 1 2 292.342 2.368 10 30 CEEELO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CCCC2(C)C)CC1 ZINC000335811863 289041485 /nfs/dbraw/zinc/04/14/85/289041485.db2.gz JWGAHKKCCAPUDE-ZDUSSCGKSA-N 1 2 292.427 2.194 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1ccc2c(c1)OCO2 ZINC000062444026 519985482 /nfs/dbraw/zinc/98/54/82/519985482.db2.gz PTMQXVGDPNEZOJ-LLVKDONJSA-N 1 2 262.309 2.076 10 30 CEEELO CC[NH2+][C@@](C)(C#N)C[C@@H](C)N(C)CC(F)(F)F ZINC000084292980 517670646 /nfs/dbraw/zinc/67/06/46/517670646.db2.gz CECMVWUJZIYMQT-NXEZZACHSA-N 1 2 251.296 2.151 10 30 CEEELO CCC[NH2+][C@](C#N)(Cn1cc(Cl)cn1)C1CC1 ZINC000069084334 520100739 /nfs/dbraw/zinc/10/07/39/520100739.db2.gz FRRLPLSULFSOMJ-GFCCVEGCSA-N 1 2 252.749 2.208 10 30 CEEELO CC[NH2+][C@](C#N)(CN1Cc2ccccc2C1)C1CC1 ZINC000069082352 520224043 /nfs/dbraw/zinc/22/40/43/520224043.db2.gz VXCJBJZFWFLHFV-MRXNPFEDSA-N 1 2 255.365 2.284 10 30 CEEELO COc1cc([N+](=O)[O-])ccc1O[C@H](C)C[C@@](C)([NH3+])C#N ZINC000068623303 522983849 /nfs/dbraw/zinc/98/38/49/522983849.db2.gz XTJDPCPCVJDRHO-NOZJJQNGSA-N 1 2 279.296 2.002 10 30 CEEELO C[N@H+](Cc1ccco1)Cc1ccc(C#CCO)cc1F ZINC000049618207 523434647 /nfs/dbraw/zinc/43/46/47/523434647.db2.gz SDUXWXOGYAAVFI-UHFFFAOYSA-N 1 2 273.307 2.395 10 30 CEEELO C[N@@H+](Cc1ccco1)Cc1ccc(C#CCO)cc1F ZINC000049618207 523434659 /nfs/dbraw/zinc/43/46/59/523434659.db2.gz SDUXWXOGYAAVFI-UHFFFAOYSA-N 1 2 273.307 2.395 10 30 CEEELO N#C[C@H]([NH3+])CCOc1c(F)c(F)c(F)c(F)c1F ZINC000062448090 526509156 /nfs/dbraw/zinc/50/91/56/526509156.db2.gz DSIWMHZCWSXQNH-SCSAIBSYSA-N 1 2 266.169 2.002 10 30 CEEELO N#CC[C@H](c1ccccc1)[NH+]1CCC(CC(N)=O)CC1 ZINC000055020532 526481801 /nfs/dbraw/zinc/48/18/01/526481801.db2.gz BZDTULJPTYHDTO-OAHLLOKOSA-N 1 2 271.364 2.229 10 30 CEEELO N#Cc1cccc(Nc2nc(Cl)nc(-n3cc[nH+]c3)n2)c1 ZINC000061534722 526725978 /nfs/dbraw/zinc/72/59/78/526725978.db2.gz IHLCOOWXOMKHMO-UHFFFAOYSA-N 1 2 297.709 2.326 10 30 CEEELO N#Cc1ncccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000061658711 526790379 /nfs/dbraw/zinc/79/03/79/526790379.db2.gz JNNCBOFGISPNHC-UHFFFAOYSA-N 1 2 268.276 2.151 10 30 CEEELO CCCOc1ccc(OCCC/C(N)=[NH+]/O)cc1 ZINC000034957301 361800239 /nfs/dbraw/zinc/80/02/39/361800239.db2.gz FPIUPZFTPCFBAF-UHFFFAOYSA-N 1 2 252.314 2.381 10 30 CEEELO Cc1ncsc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328620090 344755742 /nfs/dbraw/zinc/75/57/42/344755742.db2.gz GQJVQGIDNYUJPI-SNVBAGLBSA-N 1 2 276.365 2.215 10 30 CEEELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)Nc1cccnc1 ZINC000328631085 344756645 /nfs/dbraw/zinc/75/66/45/344756645.db2.gz QOHQTERSVRVTDP-GFCCVEGCSA-N 1 2 285.351 2.018 10 30 CEEELO CCn1c[nH+]cc1[C@@H](O)[C@]1(C#N)CCc2ccccc21 ZINC000091904390 180283319 /nfs/dbraw/zinc/28/33/19/180283319.db2.gz JKOMUZSQEBSOGT-CVEARBPZSA-N 1 2 267.332 2.344 10 30 CEEELO COCC[N@H+](CCC#N)C[C@H]1COc2ccccc21 ZINC000092301666 180359694 /nfs/dbraw/zinc/35/96/94/180359694.db2.gz PDSRNWFEHXPTEB-ZDUSSCGKSA-N 1 2 260.337 2.025 10 30 CEEELO COCC[N@@H+](CCC#N)C[C@H]1COc2ccccc21 ZINC000092301666 180359696 /nfs/dbraw/zinc/35/96/96/180359696.db2.gz PDSRNWFEHXPTEB-ZDUSSCGKSA-N 1 2 260.337 2.025 10 30 CEEELO Cc1cc(NC(=O)c2ccc(C#CCO)c(F)c2)cc[nH+]1 ZINC000092365909 180368709 /nfs/dbraw/zinc/36/87/09/180368709.db2.gz SQSCEKVZNSJHBW-UHFFFAOYSA-N 1 2 284.290 2.125 10 30 CEEELO COc1ccc(Cl)cc1C[NH+]1CCN([C@@H](C)C#N)CC1 ZINC000109453342 186253521 /nfs/dbraw/zinc/25/35/21/186253521.db2.gz VQLMJKFMLBYZRG-LBPRGKRZSA-N 1 2 293.798 2.378 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCn1c2ccccc2nc1CC#N ZINC000110952296 186337044 /nfs/dbraw/zinc/33/70/44/186337044.db2.gz AYNCUHPYWBAFSS-INIZCTEOSA-N 1 2 281.363 2.384 10 30 CEEELO Cc1cc(NCCC(=O)N2CCCCC2)c(C#N)c(C)[nH+]1 ZINC000135369398 366433382 /nfs/dbraw/zinc/43/33/82/366433382.db2.gz VNXNFKKDIPBGJA-UHFFFAOYSA-N 1 2 286.379 2.385 10 30 CEEELO CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1[nH]cc[nH+]1 ZINC000012348748 361379448 /nfs/dbraw/zinc/37/94/48/361379448.db2.gz AWRYXYUZRMOCHQ-JTQLQIEISA-N 1 2 299.334 2.039 10 30 CEEELO C#CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161110167 367057921 /nfs/dbraw/zinc/05/79/21/367057921.db2.gz CSNBSORCRDOZMS-QWHCGFSZSA-N 1 2 269.266 2.446 10 30 CEEELO C#CC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161110167 367057924 /nfs/dbraw/zinc/05/79/24/367057924.db2.gz CSNBSORCRDOZMS-QWHCGFSZSA-N 1 2 269.266 2.446 10 30 CEEELO N#CCCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510273 370135545 /nfs/dbraw/zinc/13/55/45/370135545.db2.gz PDXJREFNLVPTDM-ZDUSSCGKSA-N 1 2 273.384 2.445 10 30 CEEELO N#CCCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510273 370135549 /nfs/dbraw/zinc/13/55/49/370135549.db2.gz PDXJREFNLVPTDM-ZDUSSCGKSA-N 1 2 273.384 2.445 10 30 CEEELO N#CCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121547170 394799829 /nfs/dbraw/zinc/79/98/29/394799829.db2.gz BMIWKNZROZTFNY-SMDDNHRTSA-N 1 2 266.291 2.376 10 30 CEEELO N#CCCC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121547170 394799830 /nfs/dbraw/zinc/79/98/30/394799830.db2.gz BMIWKNZROZTFNY-SMDDNHRTSA-N 1 2 266.291 2.376 10 30 CEEELO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000284693692 394948782 /nfs/dbraw/zinc/94/87/82/394948782.db2.gz QBTNZLHTWSUZFR-GJZGRUSLSA-N 1 2 294.782 2.447 10 30 CEEELO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000284693692 394948783 /nfs/dbraw/zinc/94/87/83/394948783.db2.gz QBTNZLHTWSUZFR-GJZGRUSLSA-N 1 2 294.782 2.447 10 30 CEEELO C=CCNC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040295962 174223562 /nfs/dbraw/zinc/22/35/62/174223562.db2.gz SLIJZLCBGSZRRB-UHFFFAOYSA-N 1 2 255.321 2.216 10 30 CEEELO CN[C@@](C#N)(C[N@H+](C)C1CCCC1)c1ccccc1 ZINC000045180269 175324897 /nfs/dbraw/zinc/32/48/97/175324897.db2.gz HBUVQSZLDXBGAO-INIZCTEOSA-N 1 2 257.381 2.499 10 30 CEEELO CN[C@@](C#N)(C[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000045180269 175324899 /nfs/dbraw/zinc/32/48/99/175324899.db2.gz HBUVQSZLDXBGAO-INIZCTEOSA-N 1 2 257.381 2.499 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCn1cc(Br)cn1 ZINC000045207056 175328307 /nfs/dbraw/zinc/32/83/07/175328307.db2.gz IWMVERKGDGBFGX-NSHDSACASA-N 1 2 285.189 2.316 10 30 CEEELO CCN(CCC[C@](C)(C#N)[NH2+]C)CC(F)(F)F ZINC000045313599 175357166 /nfs/dbraw/zinc/35/71/66/175357166.db2.gz NNVQRFLTFBJNHX-SNVBAGLBSA-N 1 2 251.296 2.152 10 30 CEEELO CCOCCOCCCC[C@](C)(C#N)[NH2+]C(C)C ZINC000045325429 175359933 /nfs/dbraw/zinc/35/99/33/175359933.db2.gz MASKGWRLBGRYBE-CQSZACIVSA-N 1 2 256.390 2.490 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000070940861 176014394 /nfs/dbraw/zinc/01/43/94/176014394.db2.gz CSYNGNQKNAMOEN-HNNXBMFYSA-N 1 2 261.344 2.245 10 30 CEEELO CC(C)CN1C(=O)c2ccc(C[NH+](C)C)cc2[C@H]1C#N ZINC000071680410 176244733 /nfs/dbraw/zinc/24/47/33/176244733.db2.gz RSFNSPBFEXRLRJ-OAHLLOKOSA-N 1 2 271.364 2.425 10 30 CEEELO CCC[NH2+][C@H](C#N)CCN(CC)CC(F)(F)F ZINC000062435768 520060219 /nfs/dbraw/zinc/06/02/19/520060219.db2.gz WHDZSTNRRGCJDR-JTQLQIEISA-N 1 2 251.296 2.152 10 30 CEEELO CCN[C@](C#N)(C[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000069076777 520223085 /nfs/dbraw/zinc/22/30/85/520223085.db2.gz SMMNPPHKAZKHQR-QGZVFWFLSA-N 1 2 269.392 2.327 10 30 CEEELO CCN[C@](C#N)(C[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000069076777 520223092 /nfs/dbraw/zinc/22/30/92/520223092.db2.gz SMMNPPHKAZKHQR-QGZVFWFLSA-N 1 2 269.392 2.327 10 30 CEEELO COCCCSC[C@](C#N)([NH2+]C(C)C)C1CC1 ZINC000069095082 523443682 /nfs/dbraw/zinc/44/36/82/523443682.db2.gz DZAMEVRXMRKFLX-ZDUSSCGKSA-N 1 2 256.415 2.426 10 30 CEEELO C[N@H+](Cc1ccncc1)Cc1ccc(C#CCO)cc1F ZINC000049613167 523462111 /nfs/dbraw/zinc/46/21/11/523462111.db2.gz QTILRNZVEHPPIY-UHFFFAOYSA-N 1 2 284.334 2.197 10 30 CEEELO C[N@@H+](Cc1ccncc1)Cc1ccc(C#CCO)cc1F ZINC000049613167 523462118 /nfs/dbraw/zinc/46/21/18/523462118.db2.gz QTILRNZVEHPPIY-UHFFFAOYSA-N 1 2 284.334 2.197 10 30 CEEELO N#C[C@]([NH3+])(COc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000069088044 526514906 /nfs/dbraw/zinc/51/49/06/526514906.db2.gz IGJVFEMXHUCZGM-LBPRGKRZSA-N 1 2 281.699 2.258 10 30 CEEELO C/C=C/C=[N+](\O)[C@@H](C)/C(=N/O)c1ccc(F)cc1 ZINC000225386094 344545185 /nfs/dbraw/zinc/54/51/85/344545185.db2.gz HOTJQPMJAFKTMT-QUMNNGRUSA-O 1 2 251.281 2.441 10 30 CEEELO O=C(NC[C@H]1CCn2cc[nH+]c2C1)c1cccc2[nH]cnc21 ZINC000328621929 344755939 /nfs/dbraw/zinc/75/59/39/344755939.db2.gz IBFYKHZVJAFPAS-NSHDSACASA-N 1 2 295.346 2.327 10 30 CEEELO CC(C)[NH2+][C@](C#N)(CSC[C@@H](C)CO)C1CC1 ZINC000091258216 180115437 /nfs/dbraw/zinc/11/54/37/180115437.db2.gz YRGGYRBMCHWQKT-WCQYABFASA-N 1 2 256.415 2.018 10 30 CEEELO Cn1c[nH+]cc1[C@@H](O)[C@@]1(C#N)CCCc2ccccc21 ZINC000091904342 180283459 /nfs/dbraw/zinc/28/34/59/180283459.db2.gz JGKBXHFADYXCKY-HZPDHXFCSA-N 1 2 267.332 2.251 10 30 CEEELO C#CC[NH2+]Cc1nc([C@@H]2CCCc3ccccc32)no1 ZINC000092481499 180394842 /nfs/dbraw/zinc/39/48/42/180394842.db2.gz KUQVCDQBWAKTMW-CQSZACIVSA-N 1 2 267.332 2.261 10 30 CEEELO Cc1cc(N(C)C[C@@H]2CCC[C@H]2O)c(C#N)c(C)[nH+]1 ZINC000301820062 201217194 /nfs/dbraw/zinc/21/71/94/201217194.db2.gz GECFESHFXPDNFE-SWLSCSKDSA-N 1 2 259.353 2.167 10 30 CEEELO N#Cc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)o1 ZINC000092810789 364109675 /nfs/dbraw/zinc/10/96/75/364109675.db2.gz DIDKOWGHURUXEQ-UHFFFAOYSA-N 1 2 256.309 2.254 10 30 CEEELO Cn1c2ccccc2nc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000111348254 364729092 /nfs/dbraw/zinc/72/90/92/364729092.db2.gz YNMDOFVCPRALLR-NWDGAFQWSA-N 1 2 254.337 2.355 10 30 CEEELO CCCOCCOCC[C@@H]1CCC[C@]1(C#N)[NH2+]CC ZINC000093579875 184692122 /nfs/dbraw/zinc/69/21/22/184692122.db2.gz WABQTNJMWNPLHW-LSDHHAIUSA-N 1 2 268.401 2.492 10 30 CEEELO C=C(Br)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000264002040 131376498 /nfs/dbraw/zinc/37/64/98/131376498.db2.gz AXOODXQKJVFBMA-NSHDSACASA-N 1 2 270.174 2.466 10 30 CEEELO C=C(Br)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000264002040 131376499 /nfs/dbraw/zinc/37/64/99/131376499.db2.gz AXOODXQKJVFBMA-NSHDSACASA-N 1 2 270.174 2.466 10 30 CEEELO Cc1csc([C@H]2C[N@H+](CCCSCC#N)CCO2)n1 ZINC000173876188 395116942 /nfs/dbraw/zinc/11/69/42/395116942.db2.gz QVQVZHKWHPEQQD-GFCCVEGCSA-N 1 2 297.449 2.472 10 30 CEEELO Cc1csc([C@H]2C[N@@H+](CCCSCC#N)CCO2)n1 ZINC000173876188 395116943 /nfs/dbraw/zinc/11/69/43/395116943.db2.gz QVQVZHKWHPEQQD-GFCCVEGCSA-N 1 2 297.449 2.472 10 30 CEEELO CCOc1cc2c(cc1C[NH2+]CCC#N)O[C@@H](C)C2 ZINC000020199324 171062956 /nfs/dbraw/zinc/06/29/56/171062956.db2.gz XPPIQISNXKJNAM-NSHDSACASA-N 1 2 260.337 2.412 10 30 CEEELO C[C@@]([NH3+])(C#N)CCOc1c(F)c(F)c(F)c(F)c1F ZINC000045213743 175329245 /nfs/dbraw/zinc/32/92/45/175329245.db2.gz KNQRAZJLLVSVBT-NSHDSACASA-N 1 2 280.196 2.392 10 30 CEEELO C[C@]([NH3+])(C#N)CCOc1c(F)c(F)c(F)c(F)c1F ZINC000045213740 175329258 /nfs/dbraw/zinc/32/92/58/175329258.db2.gz KNQRAZJLLVSVBT-LLVKDONJSA-N 1 2 280.196 2.392 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCSc1nnc(C)s1 ZINC000045220016 175330188 /nfs/dbraw/zinc/33/01/88/175330188.db2.gz VWYQCWYOTMKUFM-SNVBAGLBSA-N 1 2 256.400 2.221 10 30 CEEELO COCCCOCCCC[C@@](C)(C#N)[NH2+]C(C)C ZINC000045323204 175359807 /nfs/dbraw/zinc/35/98/07/175359807.db2.gz UUJPMFKOSAHROY-AWEZNQCLSA-N 1 2 256.390 2.490 10 30 CEEELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1(C(N)=O)CC1 ZINC000329134470 227320534 /nfs/dbraw/zinc/32/05/34/227320534.db2.gz QCQBANMMLSSPJB-GHMZBOCLSA-N 1 2 288.351 2.178 10 30 CEEELO C[C@H]1CCC[C@@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C1 ZINC000336074650 228185130 /nfs/dbraw/zinc/18/51/30/228185130.db2.gz KPSIZKDPQFRLGD-UONOGXRCSA-N 1 2 292.427 2.194 10 30 CEEELO CC(C)[C@H]1CCO[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329312594 280390146 /nfs/dbraw/zinc/39/01/46/280390146.db2.gz APLVIFUOMLKVHV-ZIAGYGMSSA-N 1 2 298.427 2.115 10 30 CEEELO CC(C)[C@H]1CCO[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329312594 280390148 /nfs/dbraw/zinc/39/01/48/280390148.db2.gz APLVIFUOMLKVHV-ZIAGYGMSSA-N 1 2 298.427 2.115 10 30 CEEELO C(=[NH+]\C1CCCCC1)\c1cn(C[C@@H]2CCOC2)nn1 ZINC000536960159 330384049 /nfs/dbraw/zinc/38/40/49/330384049.db2.gz SREDMGMOKGGMMN-IYVNWDGISA-N 1 2 262.357 2.066 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCO[C@@H]1CCC[C@H](OC)C1 ZINC000070333894 520129099 /nfs/dbraw/zinc/12/90/99/520129099.db2.gz OFAZYZDQADFKBV-BFHYXJOUSA-N 1 2 254.374 2.242 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000186377403 500793113 /nfs/dbraw/zinc/79/31/13/500793113.db2.gz HHECCRXXVRSZCV-MRXNPFEDSA-N 1 2 288.347 2.094 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000186377403 500793116 /nfs/dbraw/zinc/79/31/16/500793116.db2.gz HHECCRXXVRSZCV-MRXNPFEDSA-N 1 2 288.347 2.094 10 30 CEEELO CC(C)[NH2+][C@](C#N)(CN(C)CCc1ccccn1)C1CC1 ZINC000069075918 519738681 /nfs/dbraw/zinc/73/86/81/519738681.db2.gz BNLNNLNPHRFBGZ-QGZVFWFLSA-N 1 2 286.423 2.226 10 30 CEEELO CC(C)[NH2+][C@](C#N)(CN(C)CC(F)(F)F)C1CC1 ZINC000069078691 519738828 /nfs/dbraw/zinc/73/88/28/519738828.db2.gz CQUBBIBGLOWWRG-LLVKDONJSA-N 1 2 263.307 2.151 10 30 CEEELO CC[NH2+][C@H](C#N)CCn1cc(-c2ccccc2)cn1 ZINC000062441012 520161674 /nfs/dbraw/zinc/16/16/74/520161674.db2.gz KHINFUKNMAIOGY-HNNXBMFYSA-N 1 2 254.337 2.442 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCSc1cc(C)nn1C ZINC000052311816 520225148 /nfs/dbraw/zinc/22/51/48/520225148.db2.gz UPFRROXYFAUXGL-LBPRGKRZSA-N 1 2 252.387 2.103 10 30 CEEELO CC[N@H+](C[C@H]1CCCO1)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069079548 521268861 /nfs/dbraw/zinc/26/88/61/521268861.db2.gz SKJOSDYGQDQIFC-CVEARBPZSA-N 1 2 279.428 2.158 10 30 CEEELO CC[N@@H+](C[C@H]1CCCO1)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069079548 521268868 /nfs/dbraw/zinc/26/88/68/521268868.db2.gz SKJOSDYGQDQIFC-CVEARBPZSA-N 1 2 279.428 2.158 10 30 CEEELO COc1cc(C#N)ccc1OCc1ccc(N)[nH+]c1 ZINC000050830658 522043802 /nfs/dbraw/zinc/04/38/02/522043802.db2.gz QNHZQDZKBZPFEA-UHFFFAOYSA-N 1 2 255.277 2.123 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCSc1cc(C)nn1C ZINC000052311735 522511870 /nfs/dbraw/zinc/51/18/70/522511870.db2.gz GANZFMGZGNBPII-LBPRGKRZSA-N 1 2 252.387 2.103 10 30 CEEELO C[N@H+](Cc1cccnc1)Cc1ccc(C#CCO)cc1F ZINC000049613121 523417821 /nfs/dbraw/zinc/41/78/21/523417821.db2.gz STQMHPGRJDRPDH-UHFFFAOYSA-N 1 2 284.334 2.197 10 30 CEEELO C[N@@H+](Cc1cccnc1)Cc1ccc(C#CCO)cc1F ZINC000049613121 523417829 /nfs/dbraw/zinc/41/78/29/523417829.db2.gz STQMHPGRJDRPDH-UHFFFAOYSA-N 1 2 284.334 2.197 10 30 CEEELO COc1ccccc1N(C)CC[C@H](C#N)[NH2+]C(C)C ZINC000062438196 524526118 /nfs/dbraw/zinc/52/61/18/524526118.db2.gz DNCWIHRWFJCZSK-CYBMUJFWSA-N 1 2 261.369 2.412 10 30 CEEELO OC[C@@H](Cc1ccccc1)/[NH+]=C/c1ccc(O)cc1 ZINC000584596418 344961365 /nfs/dbraw/zinc/96/13/65/344961365.db2.gz CDZGHMYAMBQADZ-QAEAHILHSA-N 1 2 255.317 2.415 10 30 CEEELO CC#CCOc1ccccc1C[NH+]1CCC(=O)CC1 ZINC000584636655 344971029 /nfs/dbraw/zinc/97/10/29/344971029.db2.gz JVKZMXKSLCZKNG-UHFFFAOYSA-N 1 2 257.333 2.254 10 30 CEEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000061892548 362697823 /nfs/dbraw/zinc/69/78/23/362697823.db2.gz FLOONHDNAFVCMK-VHSXEESVSA-N 1 2 251.311 2.438 10 30 CEEELO C#CC[NH2+][C@]1(C(=O)OC)CCC[C@@H](C(C)C)CC1 ZINC000086950103 179368876 /nfs/dbraw/zinc/36/88/76/179368876.db2.gz XUKRMOZJOLXJJA-UKRRQHHQSA-N 1 2 251.370 2.357 10 30 CEEELO Cc1cc(OCCN2CC[NH2+]C[C@@H]2C#N)ccc1C(C)C ZINC000091748106 180245409 /nfs/dbraw/zinc/24/54/09/180245409.db2.gz UDCQWQMLEWEPKU-HNNXBMFYSA-N 1 2 287.407 2.295 10 30 CEEELO COC(=O)C1=C(O)C=C([NH2+]Cc2ccccc2)C[C@H]1C ZINC000100106371 364540173 /nfs/dbraw/zinc/54/01/73/364540173.db2.gz FYBZDTRKICUAPJ-IAQYHMDHSA-N 1 2 273.332 2.058 10 30 CEEELO CCOc1cc2c(cc1C[NH2+]CCC#N)O[C@H](C)C2 ZINC000020199322 171063211 /nfs/dbraw/zinc/06/32/11/171063211.db2.gz XPPIQISNXKJNAM-LLVKDONJSA-N 1 2 260.337 2.412 10 30 CEEELO C=CCO[C@@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000302122096 394472158 /nfs/dbraw/zinc/47/21/58/394472158.db2.gz DSJQUQWEGOIROH-CYBMUJFWSA-N 1 2 257.337 2.351 10 30 CEEELO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(OC)c1OC ZINC000061891055 394569033 /nfs/dbraw/zinc/56/90/33/394569033.db2.gz RLOKWRFZLSCQSK-DGCLKSJQSA-N 1 2 290.363 2.494 10 30 CEEELO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061891072 394569102 /nfs/dbraw/zinc/56/91/02/394569102.db2.gz BTVVBARPSCAOMI-YPMHNXCESA-N 1 2 290.363 2.494 10 30 CEEELO C[C@]([NH3+])(C#N)COc1c(F)c(F)c(F)c(F)c1F ZINC000045213704 175329310 /nfs/dbraw/zinc/32/93/10/175329310.db2.gz ORJVCBLVOARSHT-JTQLQIEISA-N 1 2 266.169 2.002 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCN(C)CC(F)(F)F ZINC000045312551 175357096 /nfs/dbraw/zinc/35/70/96/175357096.db2.gz FYEWVBHRQBXCNL-SNVBAGLBSA-N 1 2 251.296 2.152 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1c(OC)cccc1OC ZINC000045326813 175359533 /nfs/dbraw/zinc/35/95/33/175359533.db2.gz ZCBSSTWCMICVSL-OAHLLOKOSA-N 1 2 278.352 2.364 10 30 CEEELO C[C@H]1C[N@H+](Cc2ccc(C#CCO)cc2F)CC(C)(C)O1 ZINC000045707225 175382796 /nfs/dbraw/zinc/38/27/96/175382796.db2.gz BFTPMZDVDFQHOQ-ZDUSSCGKSA-N 1 2 291.366 2.169 10 30 CEEELO C[C@H]1C[N@@H+](Cc2ccc(C#CCO)cc2F)CC(C)(C)O1 ZINC000045707225 175382797 /nfs/dbraw/zinc/38/27/97/175382797.db2.gz BFTPMZDVDFQHOQ-ZDUSSCGKSA-N 1 2 291.366 2.169 10 30 CEEELO CCC[NH2+][C@](C#N)(Cn1cc(Br)cn1)C1CC1 ZINC000069084356 520100945 /nfs/dbraw/zinc/10/09/45/520100945.db2.gz VZMCCSSCRYPNHX-GFCCVEGCSA-N 1 2 297.200 2.318 10 30 CEEELO CCNc1[nH+]cnc2c1cnn2-c1cccc(C#N)c1 ZINC000062367014 520382660 /nfs/dbraw/zinc/38/26/60/520382660.db2.gz FDPGUIPTLRSREM-UHFFFAOYSA-N 1 2 264.292 2.119 10 30 CEEELO COc1ccc2cc(C[N@H+](C)C[C@@H](C)C#N)c(N)nc2c1 ZINC000050815340 525625687 /nfs/dbraw/zinc/62/56/87/525625687.db2.gz SOPRVQQSCGVYMZ-NSHDSACASA-N 1 2 284.363 2.417 10 30 CEEELO COc1ccc2cc(C[N@@H+](C)C[C@@H](C)C#N)c(N)nc2c1 ZINC000050815340 525625692 /nfs/dbraw/zinc/62/56/92/525625692.db2.gz SOPRVQQSCGVYMZ-NSHDSACASA-N 1 2 284.363 2.417 10 30 CEEELO N#C[C@@]1([NH3+])CCc2cc(Br)ccc2C1 ZINC000082491573 178059134 /nfs/dbraw/zinc/05/91/34/178059134.db2.gz PRCHTXIEIQJWNZ-LLVKDONJSA-N 1 2 251.127 2.159 10 30 CEEELO CC(=N\OC(C)C)/C(=N/OC(C)C)n1cc[nH+]c1 ZINC000148872214 344414566 /nfs/dbraw/zinc/41/45/66/344414566.db2.gz DLLSLPZSQOBLES-ADBGAXBCSA-N 1 2 252.318 2.271 10 30 CEEELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1cccc(C#N)c1 ZINC000328616812 344755864 /nfs/dbraw/zinc/75/58/64/344755864.db2.gz CBZHIANAHPQXSS-CQSZACIVSA-N 1 2 294.358 2.089 10 30 CEEELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)Nc1cccnc1 ZINC000328631086 344756340 /nfs/dbraw/zinc/75/63/40/344756340.db2.gz QOHQTERSVRVTDP-LBPRGKRZSA-N 1 2 285.351 2.018 10 30 CEEELO Cc1ccc(-c2nc(CN3CC[NH2+]C[C@@H]3C#N)cs2)cc1 ZINC000091748769 180245948 /nfs/dbraw/zinc/24/59/48/180245948.db2.gz BGAXTFWGBTXCJR-HNNXBMFYSA-N 1 2 298.415 2.416 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000109454437 186254117 /nfs/dbraw/zinc/25/41/17/186254117.db2.gz HCVPNYFVKVSIJN-HNNXBMFYSA-N 1 2 261.344 2.245 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000110513886 186300037 /nfs/dbraw/zinc/30/00/37/186300037.db2.gz MJCVYGQNBGGNRQ-CQSZACIVSA-N 1 2 288.351 2.015 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCSc1nnc(N(C)C)s1 ZINC000111316679 186396154 /nfs/dbraw/zinc/39/61/54/186396154.db2.gz YYGKHPCLMSOYMO-LBPRGKRZSA-N 1 2 299.469 2.368 10 30 CEEELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)o1 ZINC000179202935 189177514 /nfs/dbraw/zinc/17/75/14/189177514.db2.gz FOUWUKGJRKUXFQ-CQDKDKBSSA-N 1 2 288.347 2.457 10 30 CEEELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)o1 ZINC000179202935 189177515 /nfs/dbraw/zinc/17/75/15/189177515.db2.gz FOUWUKGJRKUXFQ-CQDKDKBSSA-N 1 2 288.347 2.457 10 30 CEEELO CCOC[C@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301803115 201206218 /nfs/dbraw/zinc/20/62/18/201206218.db2.gz WWOGOTPAZIMRQD-ZDUSSCGKSA-N 1 2 259.353 2.433 10 30 CEEELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)o1 ZINC000246154873 370916722 /nfs/dbraw/zinc/91/67/22/370916722.db2.gz FOUWUKGJRKUXFQ-GLQYFDAESA-N 1 2 288.347 2.457 10 30 CEEELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)o1 ZINC000246154873 370916723 /nfs/dbraw/zinc/91/67/23/370916723.db2.gz FOUWUKGJRKUXFQ-GLQYFDAESA-N 1 2 288.347 2.457 10 30 CEEELO C[C@@H]1CCC[C@@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C1 ZINC000336074651 296436202 /nfs/dbraw/zinc/43/62/02/296436202.db2.gz KPSIZKDPQFRLGD-ZIAGYGMSSA-N 1 2 292.427 2.194 10 30 CEEELO O=[N+]([O-])c1cccc(/C=N/NC2=[NH+]CCCCC2)c1 ZINC000005574485 170115285 /nfs/dbraw/zinc/11/52/85/170115285.db2.gz MELRKOJMXILROJ-XNTDXEJSSA-N 1 2 260.297 2.491 10 30 CEEELO C=CCNc1nc[nH+]c(Nc2ccc3c(c2)OCO3)c1N ZINC000040684636 174375266 /nfs/dbraw/zinc/37/52/66/174375266.db2.gz OEMGDAMMIHHXSB-UHFFFAOYSA-N 1 2 285.307 2.129 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2ccc3c(c2)OCO3)c1N ZINC000040684636 174375267 /nfs/dbraw/zinc/37/52/67/174375267.db2.gz OEMGDAMMIHHXSB-UHFFFAOYSA-N 1 2 285.307 2.129 10 30 CEEELO N#Cc1cnc2ccccc2c1Sc1nc(N)cc(N)[nH+]1 ZINC000041023600 174452680 /nfs/dbraw/zinc/45/26/80/174452680.db2.gz JBWYADLDCINAPN-UHFFFAOYSA-N 1 2 294.343 2.212 10 30 CEEELO C[C@@H](C#N)C[N@H+](C)Cc1cc(C#CCCO)cs1 ZINC000043698695 175097031 /nfs/dbraw/zinc/09/70/31/175097031.db2.gz NVODHABIBCZDLB-LBPRGKRZSA-N 1 2 262.378 2.073 10 30 CEEELO C[C@@H](C#N)C[N@@H+](C)Cc1cc(C#CCCO)cs1 ZINC000043698695 175097033 /nfs/dbraw/zinc/09/70/33/175097033.db2.gz NVODHABIBCZDLB-LBPRGKRZSA-N 1 2 262.378 2.073 10 30 CEEELO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CCCCCC1 ZINC000044766597 175249310 /nfs/dbraw/zinc/24/93/10/175249310.db2.gz WAMMLQFTGFJJDO-ZDUSSCGKSA-N 1 2 274.368 2.252 10 30 CEEELO CCCN[C@](C)(C#N)C[N@H+](CCOC)C(CC)CC ZINC000045177822 175324019 /nfs/dbraw/zinc/32/40/19/175324019.db2.gz QUKGGODHLBRALT-OAHLLOKOSA-N 1 2 269.433 2.405 10 30 CEEELO CCCN[C@](C)(C#N)C[N@@H+](CCOC)C(CC)CC ZINC000045177822 175324021 /nfs/dbraw/zinc/32/40/21/175324021.db2.gz QUKGGODHLBRALT-OAHLLOKOSA-N 1 2 269.433 2.405 10 30 CEEELO Cc1[nH+]c2ccccc2n1C[C@](C)(C#N)NC1CC1 ZINC000045183566 175326088 /nfs/dbraw/zinc/32/60/88/175326088.db2.gz ZFGVTQGADQWUJG-HNNXBMFYSA-N 1 2 254.337 2.379 10 30 CEEELO C[C@@]([NH3+])(C#N)CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000045214324 175329116 /nfs/dbraw/zinc/32/91/16/175329116.db2.gz BYYCGQNLURIMKS-NSHDSACASA-N 1 2 269.688 2.258 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCCN(C)CC(F)(F)F ZINC000045312582 175357035 /nfs/dbraw/zinc/35/70/35/175357035.db2.gz RAEKZFRLTKOZMK-JTQLQIEISA-N 1 2 251.296 2.152 10 30 CEEELO Cc1nc(C)n(CCCC[C@](C)(C#N)[NH2+]C(C)C)n1 ZINC000045322710 175359687 /nfs/dbraw/zinc/35/96/87/175359687.db2.gz MLLPBZQWPOCNOE-CQSZACIVSA-N 1 2 263.389 2.346 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCOc1ccc(CO)cc1 ZINC000045331926 175360233 /nfs/dbraw/zinc/36/02/33/175360233.db2.gz ZVDRMRUIKBYSKQ-HNNXBMFYSA-N 1 2 262.353 2.230 10 30 CEEELO C[NH+](C)CCCN1C(=O)c2c(cc(F)c(F)c2F)C1C#N ZINC000071680100 176244967 /nfs/dbraw/zinc/24/49/67/176244967.db2.gz PQPKQRAWFXAOSZ-SNVBAGLBSA-N 1 2 297.280 2.076 10 30 CEEELO C[NH+](C)CCCN1C(=O)c2c(cc(F)c(F)c2F)[C@H]1C#N ZINC000071680100 176244968 /nfs/dbraw/zinc/24/49/68/176244968.db2.gz PQPKQRAWFXAOSZ-SNVBAGLBSA-N 1 2 297.280 2.076 10 30 CEEELO C=CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634673 330145224 /nfs/dbraw/zinc/14/52/24/330145224.db2.gz JVRNDTFMYNDWNJ-LBPRGKRZSA-N 1 2 270.336 2.419 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000062448807 520059460 /nfs/dbraw/zinc/05/94/60/520059460.db2.gz KVRXNGYXSZGKBW-NSHDSACASA-N 1 2 293.323 2.264 10 30 CEEELO COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C[C@](C)([NH3+])C#N ZINC000068622648 525473138 /nfs/dbraw/zinc/47/31/38/525473138.db2.gz YUPOMEFFNFGECK-ZANVPECISA-N 1 2 279.296 2.002 10 30 CEEELO N#CC1([NH2+]C[C@H]2CCCO2)C2CC3CC(C2)CC1C3 ZINC000055026488 526438812 /nfs/dbraw/zinc/43/88/12/526438812.db2.gz UCQPUQMIAPXGBP-BAPHQMLMSA-N 1 2 260.381 2.473 10 30 CEEELO N#C[C@@]([NH3+])(Cn1cc(-c2ccccc2)cn1)C1CC1 ZINC000069084975 526503608 /nfs/dbraw/zinc/50/36/08/526503608.db2.gz QUJDJMVPXZMZNZ-OAHLLOKOSA-N 1 2 252.321 2.181 10 30 CEEELO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898909630 632642685 /nfs/dbraw/zinc/64/26/85/632642685.db2.gz BYRZXXBICMETNH-KBPBESRZSA-N 1 2 291.395 2.106 10 30 CEEELO Cc1ccc(NC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)nc1 ZINC000328635128 344757406 /nfs/dbraw/zinc/75/74/06/344757406.db2.gz UNLXABSXYFKEHF-CYBMUJFWSA-N 1 2 299.378 2.326 10 30 CEEELO Cc1cccc(NC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328645419 344758052 /nfs/dbraw/zinc/75/80/52/344758052.db2.gz ZQKJKODDTIPZJT-CYBMUJFWSA-N 1 2 299.378 2.326 10 30 CEEELO COC(=O)c1cc(NCc2ccc(C#N)cc2)cc[nH+]1 ZINC000090737289 180034191 /nfs/dbraw/zinc/03/41/91/180034191.db2.gz URAFSSIMTFFZSI-UHFFFAOYSA-N 1 2 267.288 2.352 10 30 CEEELO COCC[N@H+](CCC#N)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898379 180057872 /nfs/dbraw/zinc/05/78/72/180057872.db2.gz JOTOYNNPQMQFHJ-HNNXBMFYSA-N 1 2 274.364 2.161 10 30 CEEELO COCC[N@@H+](CCC#N)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898379 180057875 /nfs/dbraw/zinc/05/78/75/180057875.db2.gz JOTOYNNPQMQFHJ-HNNXBMFYSA-N 1 2 274.364 2.161 10 30 CEEELO CCC[NH2+][C@](C#N)(CSC[C@@H](C)CO)C1CC1 ZINC000091258166 180115298 /nfs/dbraw/zinc/11/52/98/180115298.db2.gz AMVHRJBTWZEQDY-WCQYABFASA-N 1 2 256.415 2.020 10 30 CEEELO Cc1cc(NC(=O)c2ccc(F)cc2C#CCO)cc[nH+]1 ZINC000092365917 180369206 /nfs/dbraw/zinc/36/92/06/180369206.db2.gz VNVZSJBMBFAKMK-UHFFFAOYSA-N 1 2 284.290 2.125 10 30 CEEELO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000177302787 283152295 /nfs/dbraw/zinc/15/22/95/283152295.db2.gz SZOUYSTZUQSABA-OAHLLOKOSA-N 1 2 285.326 2.126 10 30 CEEELO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000177302787 283152299 /nfs/dbraw/zinc/15/22/99/283152299.db2.gz SZOUYSTZUQSABA-OAHLLOKOSA-N 1 2 285.326 2.126 10 30 CEEELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)o1 ZINC000179202959 189177575 /nfs/dbraw/zinc/17/75/75/189177575.db2.gz FOUWUKGJRKUXFQ-UGFHNGPFSA-N 1 2 288.347 2.457 10 30 CEEELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)o1 ZINC000179202959 189177576 /nfs/dbraw/zinc/17/75/76/189177576.db2.gz FOUWUKGJRKUXFQ-UGFHNGPFSA-N 1 2 288.347 2.457 10 30 CEEELO Cc1cc(N2CCC[C@H]2C[C@H](C)O)c(C#N)c(C)[nH+]1 ZINC000301780832 201194720 /nfs/dbraw/zinc/19/47/20/201194720.db2.gz RSWZQKPETQVOJW-AAEUAGOBSA-N 1 2 259.353 2.310 10 30 CEEELO C[C@H]1CCCN(c2cc(N3CCC(C#N)CC3)[nH+]cn2)C1 ZINC000105788961 364701616 /nfs/dbraw/zinc/70/16/16/364701616.db2.gz AFSDQLWUTMCJKZ-ZDUSSCGKSA-N 1 2 285.395 2.453 10 30 CEEELO C[C@H]1CCCN(c2cc(N3CCC(C#N)CC3)nc[nH+]2)C1 ZINC000105788961 364701617 /nfs/dbraw/zinc/70/16/17/364701617.db2.gz AFSDQLWUTMCJKZ-ZDUSSCGKSA-N 1 2 285.395 2.453 10 30 CEEELO CC[NH2+][C@@]1(C#N)CC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC000093805190 184723824 /nfs/dbraw/zinc/72/38/24/184723824.db2.gz OAKDJXFNOGOOJI-KBPBESRZSA-N 1 2 275.308 2.398 10 30 CEEELO COc1cc(C#N)ccc1C[NH+]1[C@H](C)COC[C@H]1C ZINC000121034112 394790630 /nfs/dbraw/zinc/79/06/30/394790630.db2.gz RFDXAWNFMDDVBE-VXGBXAGGSA-N 1 2 260.337 2.176 10 30 CEEELO COc1ccc(OC)c(NC(=[NH2+])c2ccncc2)c1 ZINC000005733056 170134928 /nfs/dbraw/zinc/13/49/28/170134928.db2.gz CPWOXKAVRFQOTE-UHFFFAOYSA-N 1 2 257.293 2.136 10 30 CEEELO COc1cc(NC2=[NH+][C@@H](C)CS2)cc(OC)c1OC ZINC000035294495 172106184 /nfs/dbraw/zinc/10/61/84/172106184.db2.gz HNLTTYNZALYHKB-QMMMGPOBSA-N 1 2 282.365 2.425 10 30 CEEELO CCCC1N=NC(=S)N1[NH+]=Cc1ccc(N(C)C)cc1 ZINC000035387710 172169752 /nfs/dbraw/zinc/16/97/52/172169752.db2.gz IOHVVGOQVCNZIR-GDNBJRDFSA-N 1 2 289.408 2.468 10 30 CEEELO CCC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044809616 175257360 /nfs/dbraw/zinc/25/73/60/175257360.db2.gz OATKQVRUNGCROX-MRXNPFEDSA-N 1 2 285.391 2.271 10 30 CEEELO CC(C)[C@@H](C#N)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000044809222 175257376 /nfs/dbraw/zinc/25/73/76/175257376.db2.gz OSXIDQIMGNVSQR-HZPDHXFCSA-N 1 2 285.391 2.297 10 30 CEEELO CC(C)[C@@H](C#N)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000044809222 175257377 /nfs/dbraw/zinc/25/73/77/175257377.db2.gz OSXIDQIMGNVSQR-HZPDHXFCSA-N 1 2 285.391 2.297 10 30 CEEELO N#C[C@@](C[NH+]1CCCC1)(NC1CC1)c1ccccc1 ZINC000045178865 175324028 /nfs/dbraw/zinc/32/40/28/175324028.db2.gz JNBZONCYVRSVFC-INIZCTEOSA-N 1 2 255.365 2.253 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCOC[C@H]1CCCCO1 ZINC000045326134 175359837 /nfs/dbraw/zinc/35/98/37/175359837.db2.gz IVIUOTJIZPKVSH-ZIAGYGMSSA-N 1 2 254.374 2.244 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCSc1nnc2n1CCCCC2 ZINC000045364482 175362376 /nfs/dbraw/zinc/36/23/76/175362376.db2.gz SHOISJSWVGPSGE-AWEZNQCLSA-N 1 2 293.440 2.378 10 30 CEEELO CCOCC[N@H+](CC)C[C@@](C#N)(NC(C)C)C1CC1 ZINC000069083806 519908771 /nfs/dbraw/zinc/90/87/71/519908771.db2.gz BXOUAHFVYNLYNV-OAHLLOKOSA-N 1 2 267.417 2.015 10 30 CEEELO CCOCC[N@@H+](CC)C[C@@](C#N)(NC(C)C)C1CC1 ZINC000069083806 519908774 /nfs/dbraw/zinc/90/87/74/519908774.db2.gz BXOUAHFVYNLYNV-OAHLLOKOSA-N 1 2 267.417 2.015 10 30 CEEELO CCCN[C@H](C#N)Cn1c2ccccc2[nH+]c1CC ZINC000062807927 520062011 /nfs/dbraw/zinc/06/20/11/520062011.db2.gz RFVNTCINEKDELG-GFCCVEGCSA-N 1 2 256.353 2.490 10 30 CEEELO C#CC[NH2+]C1(C(=O)OCC)CCC(C(C)C)CC1 ZINC000054557480 518288663 /nfs/dbraw/zinc/28/86/63/518288663.db2.gz XIKRTGLIMADHPY-UHFFFAOYSA-N 1 2 251.370 2.357 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCn1nc(C)c(Cl)c1C ZINC000050588024 522407033 /nfs/dbraw/zinc/40/70/33/522407033.db2.gz PIGFLIWBXXNBNB-GFCCVEGCSA-N 1 2 254.765 2.435 10 30 CEEELO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](C)C#N ZINC000050815394 522645956 /nfs/dbraw/zinc/64/59/56/522645956.db2.gz ACJHTCHRRDLKSJ-JTQLQIEISA-N 1 2 262.313 2.228 10 30 CEEELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000050815394 522645962 /nfs/dbraw/zinc/64/59/62/522645962.db2.gz ACJHTCHRRDLKSJ-JTQLQIEISA-N 1 2 262.313 2.228 10 30 CEEELO COCC[N@H+](CC(C)C)C[C@](C#N)(NC1CC1)C1CC1 ZINC000069079520 523678647 /nfs/dbraw/zinc/67/86/47/523678647.db2.gz UPCZQCKCBLKRIN-INIZCTEOSA-N 1 2 279.428 2.015 10 30 CEEELO COCC[N@@H+](CC(C)C)C[C@](C#N)(NC1CC1)C1CC1 ZINC000069079520 523678654 /nfs/dbraw/zinc/67/86/54/523678654.db2.gz UPCZQCKCBLKRIN-INIZCTEOSA-N 1 2 279.428 2.015 10 30 CEEELO N#C[C@@](C[N@@H+]1CCc2ccccc2C1)(NC1CC1)C1CC1 ZINC000069076766 526501613 /nfs/dbraw/zinc/50/16/13/526501613.db2.gz OMNQZPWRENXGNG-SFHVURJKSA-N 1 2 281.403 2.469 10 30 CEEELO N#C[C@@](C[N@H+]1CCc2ccccc2C1)(NC1CC1)C1CC1 ZINC000069076766 526501621 /nfs/dbraw/zinc/50/16/21/526501621.db2.gz OMNQZPWRENXGNG-SFHVURJKSA-N 1 2 281.403 2.469 10 30 CEEELO N#Cc1ncccc1C[N@H+]1CCc2c(N)cccc2C1 ZINC000061659570 526789855 /nfs/dbraw/zinc/78/98/55/526789855.db2.gz OXVQGEXLEZZDSZ-UHFFFAOYSA-N 1 2 264.332 2.094 10 30 CEEELO N#Cc1ncccc1C[N@@H+]1CCc2c(N)cccc2C1 ZINC000061659570 526789861 /nfs/dbraw/zinc/78/98/61/526789861.db2.gz OXVQGEXLEZZDSZ-UHFFFAOYSA-N 1 2 264.332 2.094 10 30 CEEELO CC1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000330284287 527899493 /nfs/dbraw/zinc/89/94/93/527899493.db2.gz XGKGHVUSVGKBAU-GFCCVEGCSA-N 1 2 262.357 2.062 10 30 CEEELO CC1(C[NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000330284287 527899500 /nfs/dbraw/zinc/89/95/00/527899500.db2.gz XGKGHVUSVGKBAU-GFCCVEGCSA-N 1 2 262.357 2.062 10 30 CEEELO C/C=C/C=[N+](\O)[C@H](C)/C(=N/O)c1ccc(F)cc1 ZINC000225386058 344545351 /nfs/dbraw/zinc/54/53/51/344545351.db2.gz HOTJQPMJAFKTMT-BULXMMSBSA-O 1 2 251.281 2.441 10 30 CEEELO O=C(CC1(O)CCCC1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328635430 344757210 /nfs/dbraw/zinc/75/72/10/344757210.db2.gz USMYIWMSLQIPKO-LBPRGKRZSA-N 1 2 277.368 2.097 10 30 CEEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)C1=COCCC1 ZINC000328614231 344755766 /nfs/dbraw/zinc/75/57/66/344755766.db2.gz ABYDEFBOHQWJQP-LLVKDONJSA-N 1 2 261.325 2.096 10 30 CEEELO CCn1cnnc1[C@@H]1C[N@H+](CCCC(C)(C)C#N)CCO1 ZINC000328631708 344756774 /nfs/dbraw/zinc/75/67/74/344756774.db2.gz KTPROHMIRRFTMO-ZDUSSCGKSA-N 1 2 291.399 2.001 10 30 CEEELO CCn1cnnc1[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC000328631708 344756777 /nfs/dbraw/zinc/75/67/77/344756777.db2.gz KTPROHMIRRFTMO-ZDUSSCGKSA-N 1 2 291.399 2.001 10 30 CEEELO COc1cc(OC)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000061891798 362697749 /nfs/dbraw/zinc/69/77/49/362697749.db2.gz OOKCLRWSYBNGLW-BXUZGUMPSA-N 1 2 290.363 2.494 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1[C@@H](c1ccccc1)C(F)(F)F ZINC000091748719 180245800 /nfs/dbraw/zinc/24/58/00/180245800.db2.gz TVHBCRWWCIRPRN-RYUDHWBXSA-N 1 2 269.270 2.087 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCSc1ccncn1 ZINC000111115170 186354091 /nfs/dbraw/zinc/35/40/91/186354091.db2.gz FHKKDAUWHKIBOT-GFCCVEGCSA-N 1 2 250.371 2.239 10 30 CEEELO CC#CCC[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000155331309 188199527 /nfs/dbraw/zinc/19/95/27/188199527.db2.gz DMOKTLLKISHTSA-LBPRGKRZSA-N 1 2 250.367 2.238 10 30 CEEELO CC#CCC[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000155331309 188199529 /nfs/dbraw/zinc/19/95/29/188199529.db2.gz DMOKTLLKISHTSA-LBPRGKRZSA-N 1 2 250.367 2.238 10 30 CEEELO C=C[C@@H](C)Nc1nc(NC)c(Br)c[nH+]1 ZINC000133276445 366210065 /nfs/dbraw/zinc/21/00/65/366210065.db2.gz BNSZBESGRBPWIO-ZCFIWIBFSA-N 1 2 257.135 2.267 10 30 CEEELO C[C@@H]1CCCN(c2cc(N3CCC(C#N)CC3)[nH+]cn2)C1 ZINC000105788959 364701583 /nfs/dbraw/zinc/70/15/83/364701583.db2.gz AFSDQLWUTMCJKZ-CYBMUJFWSA-N 1 2 285.395 2.453 10 30 CEEELO C[C@@H]1CCCN(c2cc(N3CCC(C#N)CC3)nc[nH+]2)C1 ZINC000105788959 364701585 /nfs/dbraw/zinc/70/15/85/364701585.db2.gz AFSDQLWUTMCJKZ-CYBMUJFWSA-N 1 2 285.395 2.453 10 30 CEEELO CSC[C@](C)(O)CNc1cc(C)[nH+]c(C)c1C#N ZINC000219764330 153303379 /nfs/dbraw/zinc/30/33/79/153303379.db2.gz ITRCCGGLZYVUPS-CYBMUJFWSA-N 1 2 265.382 2.096 10 30 CEEELO C[N@H+](CC(=O)Nc1ccccc1C#N)Cc1ccco1 ZINC000008198354 170323833 /nfs/dbraw/zinc/32/38/33/170323833.db2.gz UXZCLWXGEQKLCB-UHFFFAOYSA-N 1 2 269.304 2.222 10 30 CEEELO C[N@@H+](CC(=O)Nc1ccccc1C#N)Cc1ccco1 ZINC000008198354 170323834 /nfs/dbraw/zinc/32/38/34/170323834.db2.gz UXZCLWXGEQKLCB-UHFFFAOYSA-N 1 2 269.304 2.222 10 30 CEEELO CC(C)N[C@](C#N)(C[NH+]1CCCC1)c1ccccc1 ZINC000045178861 175324100 /nfs/dbraw/zinc/32/41/00/175324100.db2.gz NAVMVRCFAAVTSY-MRXNPFEDSA-N 1 2 257.381 2.499 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCSc1nnc2n1CCCCC2 ZINC000045218696 175329882 /nfs/dbraw/zinc/32/98/82/175329882.db2.gz IFBPOVGSXXJSJL-AWEZNQCLSA-N 1 2 293.440 2.378 10 30 CEEELO CCCc1cc(=O)[nH]c(SCCC[C@](C)(C#N)[NH2+]C)n1 ZINC000045364311 175362414 /nfs/dbraw/zinc/36/24/14/175362414.db2.gz QXCVKGAMVBMJFA-CQSZACIVSA-N 1 2 294.424 2.096 10 30 CEEELO N#Cc1nccnc1Nc1ccc2c(c1)CCC[NH2+]2 ZINC000071214957 176086399 /nfs/dbraw/zinc/08/63/99/176086399.db2.gz DJUITUIFUQNGRU-UHFFFAOYSA-N 1 2 251.293 2.450 10 30 CEEELO N#CCSCCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000173891357 261548714 /nfs/dbraw/zinc/54/87/14/261548714.db2.gz OHJROYHSBHJZOP-LLVKDONJSA-N 1 2 283.422 2.163 10 30 CEEELO N#CCSCCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000173891357 261548717 /nfs/dbraw/zinc/54/87/17/261548717.db2.gz OHJROYHSBHJZOP-LLVKDONJSA-N 1 2 283.422 2.163 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCSc1nnc2ccccn21 ZINC000061407988 519739342 /nfs/dbraw/zinc/73/93/42/519739342.db2.gz WMBQYAOYBBXBOB-AWEZNQCLSA-N 1 2 289.408 2.492 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@H](C)Oc1ccc2c(c1)OCO2 ZINC000068619086 520227523 /nfs/dbraw/zinc/22/75/23/520227523.db2.gz ZUJGTAQMHGMZCC-NHYWBVRUSA-N 1 2 276.336 2.464 10 30 CEEELO COc1cc(C#N)ccc1OCc1ccc[nH+]c1N ZINC000052734388 522047473 /nfs/dbraw/zinc/04/74/73/522047473.db2.gz UABCYHHEDLKXNR-UHFFFAOYSA-N 1 2 255.277 2.123 10 30 CEEELO CN[C@](C#N)(C[N@@H+]1CCCc2ccccc2C1)C1CC1 ZINC000069083118 522510109 /nfs/dbraw/zinc/51/01/09/522510109.db2.gz QMGQXZQTGOZLFJ-QGZVFWFLSA-N 1 2 269.392 2.327 10 30 CEEELO CN[C@](C#N)(C[N@H+]1CCCc2ccccc2C1)C1CC1 ZINC000069083118 522510115 /nfs/dbraw/zinc/51/01/15/522510115.db2.gz QMGQXZQTGOZLFJ-QGZVFWFLSA-N 1 2 269.392 2.327 10 30 CEEELO COc1cc([N+](=O)[O-])ccc1O[C@H](C)C[C@](C)([NH3+])C#N ZINC000068623299 522983964 /nfs/dbraw/zinc/98/39/64/522983964.db2.gz XTJDPCPCVJDRHO-RNCFNFMXSA-N 1 2 279.296 2.002 10 30 CEEELO CC[C@@H]1CCCCN1C(=O)C1CC[NH+](CCC#N)CC1 ZINC000049752123 523147587 /nfs/dbraw/zinc/14/75/87/523147587.db2.gz GCYAHXQWHNAYPD-OAHLLOKOSA-N 1 2 277.412 2.403 10 30 CEEELO C[C@H](C[C@@](C)([NH3+])C#N)Oc1cc(F)c([N+](=O)[O-])cc1F ZINC000068623635 524629890 /nfs/dbraw/zinc/62/98/90/524629890.db2.gz RICUNYOKBCNJRU-JMCQJSRRSA-N 1 2 285.250 2.271 10 30 CEEELO C[C@H](C#N)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000049855175 525922116 /nfs/dbraw/zinc/92/21/16/525922116.db2.gz GJNSFYFLEJJRNH-GFCCVEGCSA-N 1 2 263.772 2.370 10 30 CEEELO N#C[C@](C[N@@H+]1CCc2ccccc2C1)(NC1CC1)C1CC1 ZINC000069076769 526514688 /nfs/dbraw/zinc/51/46/88/526514688.db2.gz OMNQZPWRENXGNG-GOSISDBHSA-N 1 2 281.403 2.469 10 30 CEEELO N#C[C@](C[N@H+]1CCc2ccccc2C1)(NC1CC1)C1CC1 ZINC000069076769 526514693 /nfs/dbraw/zinc/51/46/93/526514693.db2.gz OMNQZPWRENXGNG-GOSISDBHSA-N 1 2 281.403 2.469 10 30 CEEELO CC1(C)C[C@@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330223551 527706962 /nfs/dbraw/zinc/70/69/62/527706962.db2.gz AHXMBWVKMPZQGO-CHWSQXEVSA-N 1 2 276.384 2.308 10 30 CEEELO CC1(C)C[C@@H]1C[NH+]=C([O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330223551 527706963 /nfs/dbraw/zinc/70/69/63/527706963.db2.gz AHXMBWVKMPZQGO-CHWSQXEVSA-N 1 2 276.384 2.308 10 30 CEEELO Cc1ccc(-c2nc(CN3CC[NH2+]C[C@H]3C#N)cs2)cc1 ZINC000091748770 180245839 /nfs/dbraw/zinc/24/58/39/180245839.db2.gz BGAXTFWGBTXCJR-OAHLLOKOSA-N 1 2 298.415 2.416 10 30 CEEELO Cn1c[nH+]cc1[C@H](O)[C@]1(C#N)CCCc2ccccc21 ZINC000091904339 180282874 /nfs/dbraw/zinc/28/28/74/180282874.db2.gz JGKBXHFADYXCKY-HOTGVXAUSA-N 1 2 267.332 2.251 10 30 CEEELO CCn1c[nH+]cc1[C@H](O)[C@]1(C#N)CCOc2ccccc21 ZINC000091904355 180283505 /nfs/dbraw/zinc/28/35/05/180283505.db2.gz ZRIDNZQKIBALNK-HOTGVXAUSA-N 1 2 283.331 2.180 10 30 CEEELO Cc1nn(C)c(C)c1C[NH2+]C[C@H](C#N)c1ccccc1 ZINC000092331184 180364369 /nfs/dbraw/zinc/36/43/69/180364369.db2.gz ZFCWAYVSYDSIMO-HNNXBMFYSA-N 1 2 268.364 2.434 10 30 CEEELO CCC[C@H](C#N)N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000109456762 186253480 /nfs/dbraw/zinc/25/34/80/186253480.db2.gz RQOMDEMIZPXHTO-QGZVFWFLSA-N 1 2 282.391 2.368 10 30 CEEELO O=[N+]([O-])c1ccccc1/C=N/NC1=[NH+]CCCCC1 ZINC000003174121 361267096 /nfs/dbraw/zinc/26/70/96/361267096.db2.gz UQJDTXOFOMENHO-XNTDXEJSSA-N 1 2 260.297 2.491 10 30 CEEELO C=CC[N@@H+](CCc1ccccc1)Cc1nnnn1C(C)C ZINC000195116461 370106549 /nfs/dbraw/zinc/10/65/49/370106549.db2.gz POEMOJPNCPDMFU-UHFFFAOYSA-N 1 2 285.395 2.485 10 30 CEEELO C=CC[N@H+](CCc1ccccc1)Cc1nnnn1C(C)C ZINC000195116461 370106552 /nfs/dbraw/zinc/10/65/52/370106552.db2.gz POEMOJPNCPDMFU-UHFFFAOYSA-N 1 2 285.395 2.485 10 30 CEEELO Cc1c(CNc2cc(C)[nH+]c(C)c2C#N)cnn1C ZINC000230145828 370441966 /nfs/dbraw/zinc/44/19/66/370441966.db2.gz AMLMZKQVZVRHBP-UHFFFAOYSA-N 1 2 255.325 2.224 10 30 CEEELO C=CCCCCCN(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000153624191 395012209 /nfs/dbraw/zinc/01/22/09/395012209.db2.gz ZVBXKMPSRTZYLO-OAHLLOKOSA-N 1 2 297.443 2.095 10 30 CEEELO COC(=O)[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000302853755 154196791 /nfs/dbraw/zinc/19/67/91/154196791.db2.gz KAPBWGNAJNRBIC-NWDGAFQWSA-N 1 2 273.336 2.324 10 30 CEEELO COC(=O)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(C)C ZINC000037257233 173067700 /nfs/dbraw/zinc/06/77/00/173067700.db2.gz VCRGFXQKAYPLTL-RISCZKNCSA-N 1 2 260.337 2.406 10 30 CEEELO C=CCNC(=O)Cn1c(C)[nH+]c2cc(C)c(C)cc21 ZINC000040295586 174223838 /nfs/dbraw/zinc/22/38/38/174223838.db2.gz DRKAKLSMAXZIKT-UHFFFAOYSA-N 1 2 257.337 2.264 10 30 CEEELO CCCN[C@](C)(C#N)C[N@H+](CCOC)[C@@H](C)CC ZINC000045177553 175323494 /nfs/dbraw/zinc/32/34/94/175323494.db2.gz WFEFFRWZBIEGCB-UONOGXRCSA-N 1 2 255.406 2.015 10 30 CEEELO CCCN[C@](C)(C#N)C[N@@H+](CCOC)[C@@H](C)CC ZINC000045177553 175323495 /nfs/dbraw/zinc/32/34/95/175323495.db2.gz WFEFFRWZBIEGCB-UONOGXRCSA-N 1 2 255.406 2.015 10 30 CEEELO CCCO[C@H]1CCC[N@H+](C[C@@](C)(C#N)NC(C)C)C1 ZINC000045177971 175324043 /nfs/dbraw/zinc/32/40/43/175324043.db2.gz OTESZRLSWWUSHB-LSDHHAIUSA-N 1 2 267.417 2.158 10 30 CEEELO CCCO[C@H]1CCC[N@@H+](C[C@@](C)(C#N)NC(C)C)C1 ZINC000045177971 175324045 /nfs/dbraw/zinc/32/40/45/175324045.db2.gz OTESZRLSWWUSHB-LSDHHAIUSA-N 1 2 267.417 2.158 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCOc1ccc2c(c1)OCO2 ZINC000045208763 175328947 /nfs/dbraw/zinc/32/89/47/175328947.db2.gz XCJKJZYLDTZQLR-HNNXBMFYSA-N 1 2 276.336 2.466 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCN(C)CC(F)(F)F ZINC000045312547 175357339 /nfs/dbraw/zinc/35/73/39/175357339.db2.gz FYEWVBHRQBXCNL-JTQLQIEISA-N 1 2 251.296 2.152 10 30 CEEELO CCCCOCCOCCCC[C@@](C)(C#N)[NH2+]C ZINC000045324088 175359739 /nfs/dbraw/zinc/35/97/39/175359739.db2.gz GAERGWVEQGDARZ-AWEZNQCLSA-N 1 2 256.390 2.492 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCCOCCOC(C)C ZINC000045326248 175359894 /nfs/dbraw/zinc/35/98/94/175359894.db2.gz PLRAUWFBIBQEPI-CQSZACIVSA-N 1 2 256.390 2.488 10 30 CEEELO CCCN[C@@H](C#N)Cn1cc[nH+]c1-c1ccccc1 ZINC000045322442 175359949 /nfs/dbraw/zinc/35/99/49/175359949.db2.gz HSRANWYHWAOZJZ-AWEZNQCLSA-N 1 2 254.337 2.442 10 30 CEEELO C[C@H](CC#N)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336700135 261730941 /nfs/dbraw/zinc/73/09/41/261730941.db2.gz KGDWRIGWRAQRBN-NXEZZACHSA-N 1 2 250.264 2.068 10 30 CEEELO C[C@H](CC#N)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336700135 261730944 /nfs/dbraw/zinc/73/09/44/261730944.db2.gz KGDWRIGWRAQRBN-NXEZZACHSA-N 1 2 250.264 2.068 10 30 CEEELO C=CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634675 330145200 /nfs/dbraw/zinc/14/52/00/330145200.db2.gz JVRNDTFMYNDWNJ-GFCCVEGCSA-N 1 2 270.336 2.419 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCSc1nnc2ccccn21 ZINC000061407977 520225974 /nfs/dbraw/zinc/22/59/74/520225974.db2.gz YILNFSMAXGINSI-ZDUSSCGKSA-N 1 2 275.381 2.103 10 30 CEEELO CC1(C)Cc2cccc(OC[C@@]([NH3+])(C#N)C3CC3)c2O1 ZINC000069086960 520584130 /nfs/dbraw/zinc/58/41/30/520584130.db2.gz JKSWQBMGZQNMQB-INIZCTEOSA-N 1 2 272.348 2.410 10 30 CEEELO CNc1ccc(COc2ccc(C#N)cc2[N+](=O)[O-])c[nH+]1 ZINC000050833608 522612399 /nfs/dbraw/zinc/61/23/99/522612399.db2.gz LVJUDOXZNWZTOO-UHFFFAOYSA-N 1 2 284.275 2.482 10 30 CEEELO COc1ccc(N(C)CC[C@@H](C#N)[NH2+]C(C)C)cc1 ZINC000062438276 524352524 /nfs/dbraw/zinc/35/25/24/524352524.db2.gz GMHKMHBXRAMOGC-ZDUSSCGKSA-N 1 2 261.369 2.412 10 30 CEEELO N#C[C@@]([NH3+])(COc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000069089134 526502711 /nfs/dbraw/zinc/50/27/11/526502711.db2.gz HEPLMUSSJQGYKP-GFCCVEGCSA-N 1 2 281.699 2.258 10 30 CEEELO CCCCCCCCCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104797474 640068462 /nfs/dbraw/zinc/06/84/62/640068462.db2.gz ABXAIXQSQBGVLT-HNNXBMFYSA-N 1 2 299.459 2.367 10 30 CEEELO CCCCCCCCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104797474 640068467 /nfs/dbraw/zinc/06/84/67/640068467.db2.gz ABXAIXQSQBGVLT-HNNXBMFYSA-N 1 2 299.459 2.367 10 30 CEEELO N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc[nH+]cc2)c1 ZINC000126707785 187256971 /nfs/dbraw/zinc/25/69/71/187256971.db2.gz MPIRMLYQCPESLK-UHFFFAOYSA-N 1 2 293.735 2.407 10 30 CEEELO Cc1noc(C)c1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328641441 344757517 /nfs/dbraw/zinc/75/75/17/344757517.db2.gz XWMKDCMARIDPNN-LLVKDONJSA-N 1 2 274.324 2.055 10 30 CEEELO CCn1cnnc1[C@H]1C[N@H+](CCCC(C)(C)C#N)CCO1 ZINC000328631707 344756139 /nfs/dbraw/zinc/75/61/39/344756139.db2.gz KTPROHMIRRFTMO-CYBMUJFWSA-N 1 2 291.399 2.001 10 30 CEEELO CCn1cnnc1[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC000328631707 344756141 /nfs/dbraw/zinc/75/61/41/344756141.db2.gz KTPROHMIRRFTMO-CYBMUJFWSA-N 1 2 291.399 2.001 10 30 CEEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000061891902 362697403 /nfs/dbraw/zinc/69/74/03/362697403.db2.gz UMFLIJPEVRCJIA-DGCLKSJQSA-N 1 2 258.321 2.240 10 30 CEEELO Cn1c[nH+]cc1[C@@H](O)[C@]1(C#N)CCCc2ccccc21 ZINC000091904340 180283379 /nfs/dbraw/zinc/28/33/79/180283379.db2.gz JGKBXHFADYXCKY-CVEARBPZSA-N 1 2 267.332 2.251 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000109454608 186253664 /nfs/dbraw/zinc/25/36/64/186253664.db2.gz LJHLBPMKKAAQIA-CQSZACIVSA-N 1 2 261.344 2.245 10 30 CEEELO CCC[C@@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000109456982 186254222 /nfs/dbraw/zinc/25/42/22/186254222.db2.gz LPFZJXLCOOMDSL-KRWDZBQOSA-N 1 2 282.391 2.368 10 30 CEEELO C[C@@]([NH3+])(C#N)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000111128604 186355834 /nfs/dbraw/zinc/35/58/34/186355834.db2.gz BPPDANZQHCEANV-CQSZACIVSA-N 1 2 271.276 2.368 10 30 CEEELO Cc1nc(C[C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000195519418 370136541 /nfs/dbraw/zinc/13/65/41/370136541.db2.gz QVKZKJXIAQNGIZ-KGLIPLIRSA-N 1 2 287.367 2.076 10 30 CEEELO Cc1nc(C[C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000195519418 370136547 /nfs/dbraw/zinc/13/65/47/370136547.db2.gz QVKZKJXIAQNGIZ-KGLIPLIRSA-N 1 2 287.367 2.076 10 30 CEEELO Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000249892993 371368696 /nfs/dbraw/zinc/36/86/96/371368696.db2.gz QVKZKJXIAQNGIZ-UONOGXRCSA-N 1 2 287.367 2.076 10 30 CEEELO Cc1nc(C[C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000249892993 371368697 /nfs/dbraw/zinc/36/86/97/371368697.db2.gz QVKZKJXIAQNGIZ-UONOGXRCSA-N 1 2 287.367 2.076 10 30 CEEELO C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000336427266 296332990 /nfs/dbraw/zinc/33/29/90/296332990.db2.gz UIXIIWUPDIOLPV-KGLIPLIRSA-N 1 2 292.427 2.194 10 30 CEEELO CCC(CC)[N@H+](CCOC)C[C@@](C)(C#N)NC(C)C ZINC000045177826 175323996 /nfs/dbraw/zinc/32/39/96/175323996.db2.gz KGRVJDOSFKZXIZ-OAHLLOKOSA-N 1 2 269.433 2.404 10 30 CEEELO CCC(CC)[N@@H+](CCOC)C[C@@](C)(C#N)NC(C)C ZINC000045177826 175323997 /nfs/dbraw/zinc/32/39/97/175323997.db2.gz KGRVJDOSFKZXIZ-OAHLLOKOSA-N 1 2 269.433 2.404 10 30 CEEELO CC(C)C[N@H+](C[C@@](N)(C#N)c1ccccc1)C1CC1 ZINC000045182291 175325587 /nfs/dbraw/zinc/32/55/87/175325587.db2.gz GEMXVBVEKJGJHL-INIZCTEOSA-N 1 2 257.381 2.485 10 30 CEEELO CC(C)C[N@@H+](C[C@@](N)(C#N)c1ccccc1)C1CC1 ZINC000045182291 175325588 /nfs/dbraw/zinc/32/55/88/175325588.db2.gz GEMXVBVEKJGJHL-INIZCTEOSA-N 1 2 257.381 2.485 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCOC[C@@H]1CCCCO1 ZINC000045208411 175328786 /nfs/dbraw/zinc/32/87/86/175328786.db2.gz HGQHTRIFUJSVBY-UONOGXRCSA-N 1 2 254.374 2.244 10 30 CEEELO CC(C)OCCOCCC[C@@](C)(C#N)[NH2+]C1CC1 ZINC000045326249 175359629 /nfs/dbraw/zinc/35/96/29/175359629.db2.gz FDLVCDSSTPUBMK-AWEZNQCLSA-N 1 2 254.374 2.242 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000045331397 175360091 /nfs/dbraw/zinc/36/00/91/175360091.db2.gz LUCJSESFUHHWNZ-CQSZACIVSA-N 1 2 293.323 2.264 10 30 CEEELO N#C[C@H]([NH3+])CSc1ccc(Br)cc1 ZINC000045333063 175360980 /nfs/dbraw/zinc/36/09/80/175360980.db2.gz IKGFUGHVZHQEMI-QMMMGPOBSA-N 1 2 257.156 2.392 10 30 CEEELO COCCN(CCC#N)c1ccc2[nH+]cccc2c1N ZINC000071225506 176089260 /nfs/dbraw/zinc/08/92/60/176089260.db2.gz DQXDZIIVKSYVPH-UHFFFAOYSA-N 1 2 270.336 2.183 10 30 CEEELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cn2ccccc2c1C#N ZINC000077369431 288375266 /nfs/dbraw/zinc/37/52/66/288375266.db2.gz WDBPUQJPDDBHTM-CHWSQXEVSA-N 1 2 269.348 2.420 10 30 CEEELO CCC[NH2+][C@H](C#N)CCn1nc(C)c(Cl)c1C ZINC000062440844 520062134 /nfs/dbraw/zinc/06/21/34/520062134.db2.gz IYOGUUBPRPFBPS-NSHDSACASA-N 1 2 254.765 2.435 10 30 CEEELO CCN(CC[C@H](C#N)[NH2+]C(C)C)CC(F)(F)F ZINC000062435785 521157745 /nfs/dbraw/zinc/15/77/45/521157745.db2.gz NHEZIZLTPRJXLV-SNVBAGLBSA-N 1 2 251.296 2.151 10 30 CEEELO CC[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000050817210 521321781 /nfs/dbraw/zinc/32/17/81/521321781.db2.gz YJSNCRUVXWCBQH-JTQLQIEISA-N 1 2 262.313 2.159 10 30 CEEELO CC[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000050817210 521321790 /nfs/dbraw/zinc/32/17/90/521321790.db2.gz YJSNCRUVXWCBQH-JTQLQIEISA-N 1 2 262.313 2.159 10 30 CEEELO CCc1[nH+]c2ccccc2n1C[C@@](C#N)(NC)C1CC1 ZINC000069085017 522504566 /nfs/dbraw/zinc/50/45/66/522504566.db2.gz WHFVCAGEFZZRDP-MRXNPFEDSA-N 1 2 268.364 2.490 10 30 CEEELO COc1ccccc1C[NH2+]Cc1cccnc1C#N ZINC000061656851 524488793 /nfs/dbraw/zinc/48/87/93/524488793.db2.gz JTIPHRNUTJSUKG-UHFFFAOYSA-N 1 2 253.305 2.252 10 30 CEEELO Cc1cc(SCC[C@](C)(C#N)[NH2+]C(C)C)n(C)n1 ZINC000052311826 525435758 /nfs/dbraw/zinc/43/57/58/525435758.db2.gz LHSRCSLUYWJIGG-CYBMUJFWSA-N 1 2 266.414 2.491 10 30 CEEELO COc1cccc(N(C)CC[C@@H](C#N)[NH2+]C(C)C)c1 ZINC000062438222 526129777 /nfs/dbraw/zinc/12/97/77/526129777.db2.gz PMDYCOIZQXICIE-ZDUSSCGKSA-N 1 2 261.369 2.412 10 30 CEEELO COC[C@@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000227593731 536764077 /nfs/dbraw/zinc/76/40/77/536764077.db2.gz VPIRKCBMUHJIDG-CYBMUJFWSA-N 1 2 259.353 2.433 10 30 CEEELO CCc1onc(C)c1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328641844 344758244 /nfs/dbraw/zinc/75/82/44/344758244.db2.gz YCKJWAHPYPGRPJ-NSHDSACASA-N 1 2 288.351 2.309 10 30 CEEELO Cc1cncc(NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000328614842 344755721 /nfs/dbraw/zinc/75/57/21/344755721.db2.gz AMNARFFIJOMWBQ-GFCCVEGCSA-N 1 2 285.351 2.175 10 30 CEEELO N#CCc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000110950407 186335171 /nfs/dbraw/zinc/33/51/71/186335171.db2.gz NUBOFDIFXSDECM-UHFFFAOYSA-N 1 2 265.320 2.389 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCSc1nnc(N(C)C)s1 ZINC000111316682 186395752 /nfs/dbraw/zinc/39/57/52/186395752.db2.gz YYGKHPCLMSOYMO-GFCCVEGCSA-N 1 2 299.469 2.368 10 30 CEEELO Cc1cc(NCCCn2cccn2)c(C#N)c(C)[nH+]1 ZINC000135064533 366391508 /nfs/dbraw/zinc/39/15/08/366391508.db2.gz LYRVPVIWPJMXSR-UHFFFAOYSA-N 1 2 255.325 2.269 10 30 CEEELO Nc1nc(N)c2c(C#Cc3ccccc3)cccc2[nH+]1 ZINC000013740533 361441183 /nfs/dbraw/zinc/44/11/83/361441183.db2.gz JJIPCQLHXJBVJW-UHFFFAOYSA-N 1 2 260.300 2.194 10 30 CEEELO Cc1cc(NCc2ccnc3ccnn32)c(C#N)c(C)[nH+]1 ZINC000302082314 201336330 /nfs/dbraw/zinc/33/63/30/201336330.db2.gz YEYLSVVRDOASRS-UHFFFAOYSA-N 1 2 278.319 2.225 10 30 CEEELO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000246055885 370903300 /nfs/dbraw/zinc/90/33/00/370903300.db2.gz VJAJJPIJEKHAGW-QWHCGFSZSA-N 1 2 282.409 2.152 10 30 CEEELO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000246055885 370903303 /nfs/dbraw/zinc/90/33/03/370903303.db2.gz VJAJJPIJEKHAGW-QWHCGFSZSA-N 1 2 282.409 2.152 10 30 CEEELO C=CCN(CC=C)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000163970996 541712681 /nfs/dbraw/zinc/71/26/81/541712681.db2.gz AFNOQISWSMCPPJ-LBPRGKRZSA-N 1 2 259.353 2.024 10 30 CEEELO C=CCN(CC=C)C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000163970996 541712684 /nfs/dbraw/zinc/71/26/84/541712684.db2.gz AFNOQISWSMCPPJ-LBPRGKRZSA-N 1 2 259.353 2.024 10 30 CEEELO CCC[NH2+][C@@]1(C#N)CC[C@H](Sc2ccncn2)C1 ZINC000093822033 184725996 /nfs/dbraw/zinc/72/59/96/184725996.db2.gz MXNPSBZVJLVFTM-AAEUAGOBSA-N 1 2 262.382 2.383 10 30 CEEELO Cc1cc(N2CCN(c3nccs3)CC2)c(C#N)c(C)[nH+]1 ZINC000133753077 394954399 /nfs/dbraw/zinc/95/43/99/394954399.db2.gz CXSAQPNFMPSILQ-UHFFFAOYSA-N 1 2 299.403 2.353 10 30 CEEELO N/C(CCCOc1ccc([N+](=O)[O-])cc1Cl)=[NH+]\O ZINC000038081026 174090818 /nfs/dbraw/zinc/09/08/18/174090818.db2.gz ZHBABMWJTVPQKA-UHFFFAOYSA-N 1 2 273.676 2.154 10 30 CEEELO CC[N@@H+](Cc1cc(C#CCCO)cs1)C[C@H](C)C#N ZINC000043698689 175096707 /nfs/dbraw/zinc/09/67/07/175096707.db2.gz CEGCIUSIKFJXFK-CYBMUJFWSA-N 1 2 276.405 2.464 10 30 CEEELO CC[N@H+](Cc1cc(C#CCCO)cs1)C[C@H](C)C#N ZINC000043698689 175096708 /nfs/dbraw/zinc/09/67/08/175096708.db2.gz CEGCIUSIKFJXFK-CYBMUJFWSA-N 1 2 276.405 2.464 10 30 CEEELO CN[C@@](C#N)(C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000045178995 175324040 /nfs/dbraw/zinc/32/40/40/175324040.db2.gz FACFUIBULIYADB-HOCLYGCPSA-N 1 2 257.381 2.499 10 30 CEEELO CN[C@@](C#N)(C[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000045178995 175324041 /nfs/dbraw/zinc/32/40/41/175324041.db2.gz FACFUIBULIYADB-HOCLYGCPSA-N 1 2 257.381 2.499 10 30 CEEELO CCCN[C@@](C#N)(Cn1cc[nH+]c1)c1ccccc1 ZINC000045183628 175326331 /nfs/dbraw/zinc/32/63/31/175326331.db2.gz TWJOFGATJRCVDJ-HNNXBMFYSA-N 1 2 254.337 2.302 10 30 CEEELO Cc1cc2[nH+]cn(C[C@H](C#N)NC3CC3)c2cc1C ZINC000045321246 175358970 /nfs/dbraw/zinc/35/89/70/175358970.db2.gz KUGDBLIJQRDCEA-ZDUSSCGKSA-N 1 2 254.337 2.297 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOCCOc1ccccc1 ZINC000045325722 175359554 /nfs/dbraw/zinc/35/95/54/175359554.db2.gz NKAOUENUXYRRPY-OAHLLOKOSA-N 1 2 262.353 2.364 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCCCOCCOCC ZINC000045325425 175359731 /nfs/dbraw/zinc/35/97/31/175359731.db2.gz AVHNSVZJBWJSEZ-CQSZACIVSA-N 1 2 256.390 2.492 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCCOC[C@@H]1CCCO1 ZINC000045325217 175359898 /nfs/dbraw/zinc/35/98/98/175359898.db2.gz KOVWPXCDTLSZEV-UONOGXRCSA-N 1 2 254.374 2.242 10 30 CEEELO CCCNC(=O)CC[NH2+][C@H](CC#N)c1ccccc1 ZINC000055018739 519873024 /nfs/dbraw/zinc/87/30/24/519873024.db2.gz MTASYBZMPGLZKP-CQSZACIVSA-N 1 2 259.353 2.147 10 30 CEEELO CC[NH2+][C@](C#N)(CN(CC)CC(F)(F)F)C1CC1 ZINC000069079114 520223890 /nfs/dbraw/zinc/22/38/90/520223890.db2.gz QLTCADQKNQHTNZ-LLVKDONJSA-N 1 2 263.307 2.152 10 30 CEEELO CNc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000050815387 522607709 /nfs/dbraw/zinc/60/77/09/522607709.db2.gz CZOUPRIPNGYHGS-SNVBAGLBSA-N 1 2 262.313 2.228 10 30 CEEELO CNc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000050815387 522607718 /nfs/dbraw/zinc/60/77/18/522607718.db2.gz CZOUPRIPNGYHGS-SNVBAGLBSA-N 1 2 262.313 2.228 10 30 CEEELO C[NH2+][C@@](C)(C#N)C[C@@H](C)n1cc(Br)cn1 ZINC000082795277 178300230 /nfs/dbraw/zinc/30/02/30/178300230.db2.gz TWUDLMDIDPNFNJ-PSASIEDQSA-N 1 2 271.162 2.098 10 30 CEEELO O=C(NC[C@H]1CCn2cc[nH+]c2C1)C1(O)CCCCC1 ZINC000328618491 344755678 /nfs/dbraw/zinc/75/56/78/344755678.db2.gz DSXJFBNAABUFFO-LBPRGKRZSA-N 1 2 277.368 2.097 10 30 CEEELO Cc1cc(N[C@@H]2CNc3ccccc3C2)c(C#N)c[nH+]1 ZINC000404466427 344880586 /nfs/dbraw/zinc/88/05/86/344880586.db2.gz TUPXNZXQLWLEGT-AWEZNQCLSA-N 1 2 264.332 2.132 10 30 CEEELO Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000128480307 187373695 /nfs/dbraw/zinc/37/36/95/187373695.db2.gz UNBZAPAEFQDWAF-OAHLLOKOSA-N 1 2 294.358 2.368 10 30 CEEELO C[NH2+][C@@]1(C#N)CCC[C@H](Sc2nncs2)C1 ZINC000086604336 179310603 /nfs/dbraw/zinc/31/06/03/179310603.db2.gz OBKXGQXAJISHRK-WPRPVWTQSA-N 1 2 254.384 2.055 10 30 CEEELO N#C[C@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893144 180055162 /nfs/dbraw/zinc/05/51/62/180055162.db2.gz APDAXWRLIAILOI-RISCZKNCSA-N 1 2 260.312 2.365 10 30 CEEELO N#C[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893144 180055166 /nfs/dbraw/zinc/05/51/66/180055166.db2.gz APDAXWRLIAILOI-RISCZKNCSA-N 1 2 260.312 2.365 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCCSC[C@@H](C)CO ZINC000091258238 180115549 /nfs/dbraw/zinc/11/55/49/180115549.db2.gz JWFUCAZKORNAPR-STQMWFEESA-N 1 2 258.431 2.408 10 30 CEEELO CCc1cc(C[NH+]2CCC(C#N)(SC)CC2)n(C)n1 ZINC000091472941 180165346 /nfs/dbraw/zinc/16/53/46/180165346.db2.gz ZGLUNKMOJITAJQ-UHFFFAOYSA-N 1 2 278.425 2.204 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1Cl ZINC000091749303 180245980 /nfs/dbraw/zinc/24/59/80/180245980.db2.gz NMNAQZRQCMNCTN-NSHDSACASA-N 1 2 270.163 2.291 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000109454767 186254146 /nfs/dbraw/zinc/25/41/46/186254146.db2.gz SNLJIQKBRCPOGM-HNNXBMFYSA-N 1 2 286.354 2.117 10 30 CEEELO Cc1cc(N2CCC[C@@](C)(CO)C2)c(C#N)c(C)[nH+]1 ZINC000132622341 366157818 /nfs/dbraw/zinc/15/78/18/366157818.db2.gz RPQALDLACAMRQY-OAHLLOKOSA-N 1 2 259.353 2.169 10 30 CEEELO CN1C(=S)S[C@@H](/[N+](O)=C\c2ccco2)C1(C)C ZINC000141194706 366564488 /nfs/dbraw/zinc/56/44/88/366564488.db2.gz KELAIKBHOGVRSY-MRACZJACSA-N 1 2 271.387 2.168 10 30 CEEELO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505768 370135795 /nfs/dbraw/zinc/13/57/95/370135795.db2.gz AJKUHCHTYFWUQI-UHFFFAOYSA-N 1 2 290.411 2.014 10 30 CEEELO Cc1cc(N2CCC[C@H]([C@@H](C)O)C2)c(C#N)c(C)[nH+]1 ZINC000301772073 379302805 /nfs/dbraw/zinc/30/28/05/379302805.db2.gz JWFKNNZCDGBZOL-OLZOCXBDSA-N 1 2 259.353 2.167 10 30 CEEELO C=C(Br)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152352245 394994566 /nfs/dbraw/zinc/99/45/66/394994566.db2.gz NENWZMPFLKOJFI-LBPRGKRZSA-N 1 2 283.169 2.443 10 30 CEEELO C=C(Br)C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152352245 394994568 /nfs/dbraw/zinc/99/45/68/394994568.db2.gz NENWZMPFLKOJFI-LBPRGKRZSA-N 1 2 283.169 2.443 10 30 CEEELO CN[C@](C#N)(C[N@H+](C)C1CCCC1)c1ccccc1 ZINC000045180266 175324376 /nfs/dbraw/zinc/32/43/76/175324376.db2.gz HBUVQSZLDXBGAO-MRXNPFEDSA-N 1 2 257.381 2.499 10 30 CEEELO CN[C@](C#N)(C[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000045180266 175324378 /nfs/dbraw/zinc/32/43/78/175324378.db2.gz HBUVQSZLDXBGAO-MRXNPFEDSA-N 1 2 257.381 2.499 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCOc1ccc2c(c1)OCO2 ZINC000045208768 175328759 /nfs/dbraw/zinc/32/87/59/175328759.db2.gz XYICODIMKZTCIJ-OAHLLOKOSA-N 1 2 276.336 2.464 10 30 CEEELO C[C@@](C#N)(CCCOCC(F)(F)F)[NH2+]C1CC1 ZINC000045326543 175359550 /nfs/dbraw/zinc/35/95/50/175359550.db2.gz QDAQGJLLHHUJGZ-JTQLQIEISA-N 1 2 250.264 2.380 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1ccc2c(c1)OCO2 ZINC000045326336 175359758 /nfs/dbraw/zinc/35/97/58/175359758.db2.gz UPMBMXOWKFOXAA-AWEZNQCLSA-N 1 2 262.309 2.076 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCOc1ccc2c(c1)OCO2 ZINC000045326337 175359876 /nfs/dbraw/zinc/35/98/76/175359876.db2.gz QSIDDCULHIPUDG-HNNXBMFYSA-N 1 2 276.336 2.466 10 30 CEEELO C[C@@]([NH3+])(C#N)CSc1ccc(Br)cn1 ZINC000070615663 175997500 /nfs/dbraw/zinc/99/75/00/175997500.db2.gz NUMGISFPLIOFEF-SECBINFHSA-N 1 2 272.171 2.177 10 30 CEEELO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCc2ccccc21 ZINC000330185062 228058823 /nfs/dbraw/zinc/05/88/23/228058823.db2.gz RDFDWQXVRVRSLI-HIFRSBDPSA-N 1 2 296.374 2.389 10 30 CEEELO [O-]C(N[C@H]1CCc2ccccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330185062 228058825 /nfs/dbraw/zinc/05/88/25/228058825.db2.gz RDFDWQXVRVRSLI-HIFRSBDPSA-N 1 2 296.374 2.389 10 30 CEEELO CC(C)c1[nH+]c2c(n1C)CCN(c1cccc(C#N)n1)C2 ZINC000122968010 278076220 /nfs/dbraw/zinc/07/62/20/278076220.db2.gz OTOUQUSSMBHFQS-UHFFFAOYSA-N 1 2 281.363 2.373 10 30 CEEELO N#Cc1cc(F)c(N2CCn3cc[nH+]c3C2)c(F)c1 ZINC000096474579 279504310 /nfs/dbraw/zinc/50/43/10/279504310.db2.gz OHSXTODNEOQASA-UHFFFAOYSA-N 1 2 260.247 2.053 10 30 CEEELO CC(C)[N@H+](CCC#N)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817273 519641675 /nfs/dbraw/zinc/64/16/75/519641675.db2.gz QWKDQNDHMKBOPB-UHFFFAOYSA-N 1 2 262.313 2.301 10 30 CEEELO CC(C)[N@@H+](CCC#N)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817273 519641676 /nfs/dbraw/zinc/64/16/76/519641676.db2.gz QWKDQNDHMKBOPB-UHFFFAOYSA-N 1 2 262.313 2.301 10 30 CEEELO CC(C)[NH2+][C@@H](C#N)CCN(CC(F)(F)F)C1CC1 ZINC000062435845 519733538 /nfs/dbraw/zinc/73/35/38/519733538.db2.gz SHBKHTGMONJHKJ-SNVBAGLBSA-N 1 2 263.307 2.293 10 30 CEEELO CCCN[C@@](C#N)(C[N@H+](CCOC)[C@@H](C)CC)C1CC1 ZINC000069080364 520029473 /nfs/dbraw/zinc/02/94/73/520029473.db2.gz AHKRGWRTUQVJAC-HOCLYGCPSA-N 1 2 281.444 2.405 10 30 CEEELO CCCN[C@@](C#N)(C[N@@H+](CCOC)[C@@H](C)CC)C1CC1 ZINC000069080364 520029481 /nfs/dbraw/zinc/02/94/81/520029481.db2.gz AHKRGWRTUQVJAC-HOCLYGCPSA-N 1 2 281.444 2.405 10 30 CEEELO CCC[NH2+][C@@](C#N)(Cn1cc(Br)cn1)C1CC1 ZINC000069084357 520032371 /nfs/dbraw/zinc/03/23/71/520032371.db2.gz VZMCCSSCRYPNHX-LBPRGKRZSA-N 1 2 297.200 2.318 10 30 CEEELO CCN[C@](C#N)(C[N@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069080189 520223812 /nfs/dbraw/zinc/22/38/12/520223812.db2.gz OKZGVUCODKQWDZ-XJKSGUPXSA-N 1 2 279.428 2.015 10 30 CEEELO CCN[C@](C#N)(C[N@@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069080189 520223816 /nfs/dbraw/zinc/22/38/16/520223816.db2.gz OKZGVUCODKQWDZ-XJKSGUPXSA-N 1 2 279.428 2.015 10 30 CEEELO CC[C@@H](C)[N@H+](CCOC)C[C@](C#N)(NC1CC1)C1CC1 ZINC000069080351 522092080 /nfs/dbraw/zinc/09/20/80/522092080.db2.gz AHMZYHZLAXQMSR-CJNGLKHVSA-N 1 2 279.428 2.158 10 30 CEEELO CC[C@@H](C)[N@@H+](CCOC)C[C@](C#N)(NC1CC1)C1CC1 ZINC000069080351 522092093 /nfs/dbraw/zinc/09/20/93/522092093.db2.gz AHMZYHZLAXQMSR-CJNGLKHVSA-N 1 2 279.428 2.158 10 30 CEEELO CNC(=O)[C@H]1CCCC[N@@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020511 524111790 /nfs/dbraw/zinc/11/17/90/524111790.db2.gz GYYNUAFQOWIHBZ-LSDHHAIUSA-N 1 2 271.364 2.242 10 30 CEEELO CNC(=O)[C@H]1CCCC[N@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020511 524111802 /nfs/dbraw/zinc/11/18/02/524111802.db2.gz GYYNUAFQOWIHBZ-LSDHHAIUSA-N 1 2 271.364 2.242 10 30 CEEELO N#CCC[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000050815922 526456096 /nfs/dbraw/zinc/45/60/96/526456096.db2.gz HTOLBBOYBNTACB-UHFFFAOYSA-N 1 2 260.297 2.055 10 30 CEEELO N#CCC[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000050815922 526456100 /nfs/dbraw/zinc/45/61/00/526456100.db2.gz HTOLBBOYBNTACB-UHFFFAOYSA-N 1 2 260.297 2.055 10 30 CEEELO N#C[C@@]([NH3+])(CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000069089655 526503487 /nfs/dbraw/zinc/50/34/87/526503487.db2.gz KPFDFJURKIMRRF-GFCCVEGCSA-N 1 2 263.322 2.318 10 30 CEEELO N#Cc1cc(-n2cc[nH+]c2-c2cccc(N)c2)ccn1 ZINC000061812830 526537919 /nfs/dbraw/zinc/53/79/19/526537919.db2.gz IBSVWNZNTFMOGJ-UHFFFAOYSA-N 1 2 261.288 2.388 10 30 CEEELO N#Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)ccn1 ZINC000068766492 526550598 /nfs/dbraw/zinc/55/05/98/526550598.db2.gz IPAAMXZZCUYZFC-GJZGRUSLSA-N 1 2 257.337 2.097 10 30 CEEELO N#Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)ccn1 ZINC000068766492 526550604 /nfs/dbraw/zinc/55/06/04/526550604.db2.gz IPAAMXZZCUYZFC-GJZGRUSLSA-N 1 2 257.337 2.097 10 30 CEEELO CCn1cc[nH+]c1[C@H](NC(=O)CC#N)c1ccccc1 ZINC000082255025 177928293 /nfs/dbraw/zinc/92/82/93/177928293.db2.gz IVYHMSGUZZIGPA-CQSZACIVSA-N 1 2 268.320 2.022 10 30 CEEELO CC#CC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121498883 365575822 /nfs/dbraw/zinc/57/58/22/365575822.db2.gz KQQBFIZJUMXMOG-BXUZGUMPSA-N 1 2 251.276 2.096 10 30 CEEELO CC#CC[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121498883 365575823 /nfs/dbraw/zinc/57/58/23/365575823.db2.gz KQQBFIZJUMXMOG-BXUZGUMPSA-N 1 2 251.276 2.096 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@@H](C)n1cc(Br)cn1 ZINC000082795279 178299878 /nfs/dbraw/zinc/29/98/78/178299878.db2.gz ZTWVDFSGSRTYHJ-KOLCDFICSA-N 1 2 285.189 2.488 10 30 CEEELO N#Cc1cccc(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000328642276 344758226 /nfs/dbraw/zinc/75/82/26/344758226.db2.gz YJTXAYVMSUJUFM-ZDUSSCGKSA-N 1 2 280.331 2.322 10 30 CEEELO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000597195371 346146135 /nfs/dbraw/zinc/14/61/35/346146135.db2.gz HESGOJHFOJNUQD-GXSJLCMTSA-N 1 2 297.200 2.355 10 30 CEEELO Cn1ncc(Br)c1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000597195372 346146249 /nfs/dbraw/zinc/14/62/49/346146249.db2.gz HESGOJHFOJNUQD-KOLCDFICSA-N 1 2 297.200 2.355 10 30 CEEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000061892262 362697103 /nfs/dbraw/zinc/69/71/03/362697103.db2.gz QKGATGDSXZHGBE-DGCLKSJQSA-N 1 2 252.321 2.412 10 30 CEEELO CSc1cc2c(cc1C[NH2+]C[C@@H](C)C#N)OCCO2 ZINC000086506716 179303276 /nfs/dbraw/zinc/30/32/76/179303276.db2.gz JZCUHTMAEVJFDL-JTQLQIEISA-N 1 2 278.377 2.429 10 30 CEEELO CCn1c[nH+]cc1[C@H](O)[C@@]1(C#N)COc2ccccc2C1 ZINC000091904401 180283170 /nfs/dbraw/zinc/28/31/70/180283170.db2.gz YJYDCCYPFMAHMG-HOTGVXAUSA-N 1 2 283.331 2.081 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000109455808 186254432 /nfs/dbraw/zinc/25/44/32/186254432.db2.gz UTSBEPPFQVRVIN-AWEZNQCLSA-N 1 2 279.334 2.385 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110513889 186299886 /nfs/dbraw/zinc/29/98/86/186299886.db2.gz KUOWGHLZDQYXHX-AWEZNQCLSA-N 1 2 288.351 2.015 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCCCO[C@H]1CCOC1 ZINC000110531164 186302123 /nfs/dbraw/zinc/30/21/23/186302123.db2.gz CKAUWOMDGBJFDO-UONOGXRCSA-N 1 2 254.374 2.242 10 30 CEEELO CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000153741548 188100610 /nfs/dbraw/zinc/10/06/10/188100610.db2.gz RLLMOKPJSNYUOB-LBPRGKRZSA-N 1 2 287.392 2.398 10 30 CEEELO CCOC(=O)C1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000133747335 366251899 /nfs/dbraw/zinc/25/18/99/366251899.db2.gz LXWSPIIQRFCTOL-UHFFFAOYSA-N 1 2 287.363 2.350 10 30 CEEELO Cc1cc(N2CC(O)(c3ccc(F)cc3)C2)c(C#N)c(C)[nH+]1 ZINC000302334128 379358522 /nfs/dbraw/zinc/35/85/22/379358522.db2.gz VBHOXIHRTZRKGS-UHFFFAOYSA-N 1 2 297.333 2.417 10 30 CEEELO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCS[C@@H](C)C1 ZINC000221540471 153310896 /nfs/dbraw/zinc/31/08/96/153310896.db2.gz FNODFVBJQUKOPI-NWDGAFQWSA-N 1 2 289.404 2.323 10 30 CEEELO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCS[C@@H](C)C1 ZINC000221540471 153310902 /nfs/dbraw/zinc/31/09/02/153310902.db2.gz FNODFVBJQUKOPI-NWDGAFQWSA-N 1 2 289.404 2.323 10 30 CEEELO CC[C@H](C)[N@H+](CCOC)C[C@@](C)(C#N)NC(C)C ZINC000045177559 175323212 /nfs/dbraw/zinc/32/32/12/175323212.db2.gz UYYSGZNSRPFDQE-UONOGXRCSA-N 1 2 255.406 2.014 10 30 CEEELO CC[C@H](C)[N@@H+](CCOC)C[C@@](C)(C#N)NC(C)C ZINC000045177559 175323213 /nfs/dbraw/zinc/32/32/13/175323213.db2.gz UYYSGZNSRPFDQE-UONOGXRCSA-N 1 2 255.406 2.014 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCCCOCCCOC ZINC000045323197 175359742 /nfs/dbraw/zinc/35/97/42/175359742.db2.gz DZRYSAULETYQNG-AWEZNQCLSA-N 1 2 256.390 2.492 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCCOC[C@H]1CCCO1 ZINC000045325221 175359922 /nfs/dbraw/zinc/35/99/22/175359922.db2.gz KOVWPXCDTLSZEV-ZIAGYGMSSA-N 1 2 254.374 2.242 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCCOC[C@@H]1CCOC1 ZINC000045332109 175360338 /nfs/dbraw/zinc/36/03/38/175360338.db2.gz MGUZDOSXUQEURU-UONOGXRCSA-N 1 2 254.374 2.100 10 30 CEEELO N#C[C@H]([NH3+])CSc1ccccc1Br ZINC000045333211 175360901 /nfs/dbraw/zinc/36/09/01/175360901.db2.gz HZNKOIYWHXWFEH-ZETCQYMHSA-N 1 2 257.156 2.392 10 30 CEEELO CN[C@@](C#N)(Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000069084145 522406735 /nfs/dbraw/zinc/40/67/35/522406735.db2.gz VVLQCRILXQTKSD-HNNXBMFYSA-N 1 2 254.337 2.237 10 30 CEEELO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000049614717 523343358 /nfs/dbraw/zinc/34/33/58/523343358.db2.gz JQMUBIWOUCBPSM-GUYCJALGSA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cc1C#CCO ZINC000049614717 523343367 /nfs/dbraw/zinc/34/33/67/523343367.db2.gz JQMUBIWOUCBPSM-GUYCJALGSA-N 1 2 291.366 2.169 10 30 CEEELO Cc1cc(N(C)CCOCC2CC2)c(C#N)c(C)[nH+]1 ZINC000157462666 525026514 /nfs/dbraw/zinc/02/65/14/525026514.db2.gz WRJDYIAIWJTMGX-UHFFFAOYSA-N 1 2 259.353 2.433 10 30 CEEELO C[C@@H](C#N)C[N@H+](C)Cc1cc2ccccc2nc1N ZINC000050815344 526237009 /nfs/dbraw/zinc/23/70/09/526237009.db2.gz IBRLZEDDABZBQH-NSHDSACASA-N 1 2 254.337 2.408 10 30 CEEELO C[C@@H](C#N)C[N@@H+](C)Cc1cc2ccccc2nc1N ZINC000050815344 526237014 /nfs/dbraw/zinc/23/70/14/526237014.db2.gz IBRLZEDDABZBQH-NSHDSACASA-N 1 2 254.337 2.408 10 30 CEEELO N#Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)ccn1 ZINC000068766497 526550431 /nfs/dbraw/zinc/55/04/31/526550431.db2.gz IPAAMXZZCUYZFC-LSDHHAIUSA-N 1 2 257.337 2.097 10 30 CEEELO N#Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)ccn1 ZINC000068766497 526550435 /nfs/dbraw/zinc/55/04/35/526550435.db2.gz IPAAMXZZCUYZFC-LSDHHAIUSA-N 1 2 257.337 2.097 10 30 CEEELO N#Cc1cccc(-c2[nH+]c(C3CCCC3)n(N)c2N)c1 ZINC000052839527 526694412 /nfs/dbraw/zinc/69/44/12/526694412.db2.gz KGOIBLVXLNWLEC-UHFFFAOYSA-N 1 2 267.336 2.375 10 30 CEEELO CC[NH2+][C@@](C)(C#N)C[C@H](C)n1cc(Br)cn1 ZINC000082795285 178300818 /nfs/dbraw/zinc/30/08/18/178300818.db2.gz ZTWVDFSGSRTYHJ-GXSJLCMTSA-N 1 2 285.189 2.488 10 30 CEEELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1cccc(C#N)c1 ZINC000328616811 344755589 /nfs/dbraw/zinc/75/55/89/344755589.db2.gz CBZHIANAHPQXSS-AWEZNQCLSA-N 1 2 294.358 2.089 10 30 CEEELO CSC1(C#N)CC[NH+](Cc2cccnc2C#N)CC1 ZINC000091470695 180164994 /nfs/dbraw/zinc/16/49/94/180164994.db2.gz RCZPZVYIQOLTJZ-UHFFFAOYSA-N 1 2 272.377 2.174 10 30 CEEELO Cc1nsc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1C#N ZINC000329393106 202315555 /nfs/dbraw/zinc/31/55/55/202315555.db2.gz SMLAJKSPEUQXTI-LBPRGKRZSA-N 1 2 286.360 2.376 10 30 CEEELO COc1ccc(C[NH2+][C@@H]2CCCn3nc(C)nc32)cc1C#N ZINC000177593055 189059025 /nfs/dbraw/zinc/05/90/25/189059025.db2.gz WSQCLRQGKHNCBB-CQSZACIVSA-N 1 2 297.362 2.092 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000186395450 368968051 /nfs/dbraw/zinc/96/80/51/368968051.db2.gz WFMYUNARZNLKIA-MRXNPFEDSA-N 1 2 288.347 2.094 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000186395450 368968055 /nfs/dbraw/zinc/96/80/55/368968055.db2.gz WFMYUNARZNLKIA-MRXNPFEDSA-N 1 2 288.347 2.094 10 30 CEEELO CC#CC[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246659364 131096138 /nfs/dbraw/zinc/09/61/38/131096138.db2.gz KQQBFIZJUMXMOG-RISCZKNCSA-N 1 2 251.276 2.096 10 30 CEEELO CC#CC[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246659364 131096140 /nfs/dbraw/zinc/09/61/40/131096140.db2.gz KQQBFIZJUMXMOG-RISCZKNCSA-N 1 2 251.276 2.096 10 30 CEEELO C=C(Br)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152352335 394994088 /nfs/dbraw/zinc/99/40/88/394994088.db2.gz NENWZMPFLKOJFI-GFCCVEGCSA-N 1 2 283.169 2.443 10 30 CEEELO C=C(Br)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152352335 394994092 /nfs/dbraw/zinc/99/40/92/394994092.db2.gz NENWZMPFLKOJFI-GFCCVEGCSA-N 1 2 283.169 2.443 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCN(CC(F)(F)F)C1CC1 ZINC000045181728 175324558 /nfs/dbraw/zinc/32/45/58/175324558.db2.gz OUUYCFFLOOMHQZ-NSHDSACASA-N 1 2 263.307 2.295 10 30 CEEELO CC[C@H]1CCC[N@H+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045181061 175324610 /nfs/dbraw/zinc/32/46/10/175324610.db2.gz QHJNJAJHHAJRHD-HOCLYGCPSA-N 1 2 257.381 2.486 10 30 CEEELO CC[C@H]1CCC[N@@H+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045181061 175324611 /nfs/dbraw/zinc/32/46/11/175324611.db2.gz QHJNJAJHHAJRHD-HOCLYGCPSA-N 1 2 257.381 2.486 10 30 CEEELO CN[C@@](C#N)(C[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000045181020 175325142 /nfs/dbraw/zinc/32/51/42/175325142.db2.gz DUOINPFAZLTNBF-BBRMVZONSA-N 1 2 257.381 2.355 10 30 CEEELO CN[C@@](C#N)(C[N@@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000045181020 175325143 /nfs/dbraw/zinc/32/51/43/175325143.db2.gz DUOINPFAZLTNBF-BBRMVZONSA-N 1 2 257.381 2.355 10 30 CEEELO CCCN[C@H](C#N)C[N@H+](CCOC)C(CC)CC ZINC000045319490 175358707 /nfs/dbraw/zinc/35/87/07/175358707.db2.gz BLQITHSSBABFNG-CYBMUJFWSA-N 1 2 255.406 2.015 10 30 CEEELO CCCN[C@H](C#N)C[N@@H+](CCOC)C(CC)CC ZINC000045319490 175358709 /nfs/dbraw/zinc/35/87/09/175358709.db2.gz BLQITHSSBABFNG-CYBMUJFWSA-N 1 2 255.406 2.015 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000045331702 175360442 /nfs/dbraw/zinc/36/04/42/175360442.db2.gz ZLLKIPUBNTUAOY-ZDUSSCGKSA-N 1 2 263.297 2.255 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1ccc([N+](=O)[O-])cc1F ZINC000045331622 175360469 /nfs/dbraw/zinc/36/04/69/175360469.db2.gz SRMDSNYLBLONKR-CYBMUJFWSA-N 1 2 281.287 2.395 10 30 CEEELO C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1[nH+]ccn1C ZINC000070444792 175936808 /nfs/dbraw/zinc/93/68/08/175936808.db2.gz JPRVRJWKGFUSQX-VIFPVBQESA-N 1 2 271.280 2.373 10 30 CEEELO CC#CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000135542902 328521907 /nfs/dbraw/zinc/52/19/07/328521907.db2.gz VIMTXYLYLCWCBV-CYBMUJFWSA-N 1 2 282.347 2.256 10 30 CEEELO CCC[NH2+][C@@](C#N)(Cn1cc(Cl)cn1)C1CC1 ZINC000069084338 520031913 /nfs/dbraw/zinc/03/19/13/520031913.db2.gz FRRLPLSULFSOMJ-LBPRGKRZSA-N 1 2 252.749 2.208 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCn1nc(C)c(Cl)c1C ZINC000050587988 520127916 /nfs/dbraw/zinc/12/79/16/520127916.db2.gz OQMKDETVSNGHKE-GFCCVEGCSA-N 1 2 254.765 2.435 10 30 CEEELO CCc1[nH+]c2ccccc2n1C[C@@H](C#N)NC(C)C ZINC000062807929 522504610 /nfs/dbraw/zinc/50/46/10/522504610.db2.gz QXUUEKPVTWILJY-GFCCVEGCSA-N 1 2 256.353 2.489 10 30 CEEELO COCC[N@@H+](CC(C)C)C[C@@](C#N)(NC(C)C)C1CC1 ZINC000069079513 523679154 /nfs/dbraw/zinc/67/91/54/523679154.db2.gz YPZNJMLRDMCIAD-MRXNPFEDSA-N 1 2 281.444 2.261 10 30 CEEELO COCC[N@H+](CC(C)C)C[C@@](C#N)(NC(C)C)C1CC1 ZINC000069079513 523679146 /nfs/dbraw/zinc/67/91/46/523679146.db2.gz YPZNJMLRDMCIAD-MRXNPFEDSA-N 1 2 281.444 2.261 10 30 CEEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)Nc1ccc(F)cn1 ZINC000328629337 344756659 /nfs/dbraw/zinc/75/66/59/344756659.db2.gz ORRAXNFKCGPCPI-SNVBAGLBSA-N 1 2 289.314 2.006 10 30 CEEELO CC[NH2+][C@]1(C#N)CC[C@H](n2cc(Br)cn2)C1 ZINC000086623173 179311756 /nfs/dbraw/zinc/31/17/56/179311756.db2.gz JICLQOKECBRLNJ-WDEREUQCSA-N 1 2 283.173 2.242 10 30 CEEELO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccc(C#N)cc2)C1 ZINC000616628841 348540004 /nfs/dbraw/zinc/54/00/04/348540004.db2.gz FCVWYQQBTNHJLD-CQSZACIVSA-N 1 2 287.363 2.440 10 30 CEEELO CCC[NH2+][C@](C#N)(CS[C@@H](C)CCO)C1CC1 ZINC000091266521 180117042 /nfs/dbraw/zinc/11/70/42/180117042.db2.gz BTDHIIXEQQZIRZ-WCQYABFASA-N 1 2 256.415 2.162 10 30 CEEELO COCC[N@H+](CCC#N)C[C@@H]1COc2ccccc21 ZINC000092301664 180359369 /nfs/dbraw/zinc/35/93/69/180359369.db2.gz PDSRNWFEHXPTEB-CYBMUJFWSA-N 1 2 260.337 2.025 10 30 CEEELO COCC[N@@H+](CCC#N)C[C@@H]1COc2ccccc21 ZINC000092301664 180359370 /nfs/dbraw/zinc/35/93/70/180359370.db2.gz PDSRNWFEHXPTEB-CYBMUJFWSA-N 1 2 260.337 2.025 10 30 CEEELO Cc1nn(C)c(C)c1C[NH2+]C[C@@H](C#N)c1ccccc1 ZINC000092331181 180364584 /nfs/dbraw/zinc/36/45/84/180364584.db2.gz ZFCWAYVSYDSIMO-OAHLLOKOSA-N 1 2 268.364 2.434 10 30 CEEELO Cc1cnn(CCNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000160692577 367028190 /nfs/dbraw/zinc/02/81/90/367028190.db2.gz JMYORJOEPKVQGC-UHFFFAOYSA-N 1 2 255.325 2.187 10 30 CEEELO C/C(=N\NC(=S)Nc1cc[nH+]cc1)c1ccccn1 ZINC000169320559 367369033 /nfs/dbraw/zinc/36/90/33/367369033.db2.gz WJWLEQGVNFAVTR-LICLKQGHSA-N 1 2 271.349 2.187 10 30 CEEELO C[NH2+][C@]1(C#N)CCC[C@H]1CCSc1ncccn1 ZINC000093580777 184692128 /nfs/dbraw/zinc/69/21/28/184692128.db2.gz JRKXQRHANPLRRL-AAEUAGOBSA-N 1 2 262.382 2.241 10 30 CEEELO COc1cc(C#N)ccc1C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000121033948 394790432 /nfs/dbraw/zinc/79/04/32/394790432.db2.gz RFDXAWNFMDDVBE-RYUDHWBXSA-N 1 2 260.337 2.176 10 30 CEEELO CC(C)C[NH2+][C@@]1(C#N)CCN(Cc2ccccc2)C1 ZINC000037939077 173878957 /nfs/dbraw/zinc/87/89/57/173878957.db2.gz FPILPJZRAYGAMD-MRXNPFEDSA-N 1 2 257.381 2.400 10 30 CEEELO CCN(CCC[C@@](C)(C#N)[NH2+]C)CC(F)(F)F ZINC000045313596 175357551 /nfs/dbraw/zinc/35/75/51/175357551.db2.gz NNVQRFLTFBJNHX-JTQLQIEISA-N 1 2 251.296 2.152 10 30 CEEELO CCCN[C@](C#N)(Cn1cc[nH+]c1)c1ccccc1 ZINC000045183626 175326286 /nfs/dbraw/zinc/32/62/86/175326286.db2.gz TWJOFGATJRCVDJ-OAHLLOKOSA-N 1 2 254.337 2.302 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCn1cc(Br)cn1 ZINC000045207057 175328381 /nfs/dbraw/zinc/32/83/81/175328381.db2.gz IWMVERKGDGBFGX-LLVKDONJSA-N 1 2 285.189 2.316 10 30 CEEELO CCN[C@](C)(C#N)Cn1cc[nH+]c1-c1ccccc1 ZINC000045207064 175328476 /nfs/dbraw/zinc/32/84/76/175328476.db2.gz URKYZTRWMBMEOE-OAHLLOKOSA-N 1 2 254.337 2.442 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCOc1cccc(CO)c1 ZINC000045215592 175329633 /nfs/dbraw/zinc/32/96/33/175329633.db2.gz BDNIVAXOHHOTEX-OAHLLOKOSA-N 1 2 262.353 2.230 10 30 CEEELO Cc1nc(C)n(CCCC[C@@](C)(C#N)[NH2+]C(C)C)n1 ZINC000045322707 175359712 /nfs/dbraw/zinc/35/97/12/175359712.db2.gz MLLPBZQWPOCNOE-AWEZNQCLSA-N 1 2 263.389 2.346 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCCOC1CCOCC1 ZINC000045332106 175360102 /nfs/dbraw/zinc/36/01/02/175360102.db2.gz ZVZUTYOJLJHVOD-CQSZACIVSA-N 1 2 254.374 2.244 10 30 CEEELO Cc1cc(NS(=O)(=O)c2ccccc2C#N)cc[nH+]1 ZINC000074932237 176636488 /nfs/dbraw/zinc/63/64/88/176636488.db2.gz CZCOSPOITPKNIS-UHFFFAOYSA-N 1 2 273.317 2.063 10 30 CEEELO Cc1cc(N2CC[C@]3(CCOC3)C2)c(C#N)c(C)[nH+]1 ZINC000301753848 278716886 /nfs/dbraw/zinc/71/68/86/278716886.db2.gz CFCDBQGJYQIFNJ-HNNXBMFYSA-N 1 2 257.337 2.187 10 30 CEEELO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CCCC2(C)C)CC1 ZINC000335811862 289041521 /nfs/dbraw/zinc/04/15/21/289041521.db2.gz JWGAHKKCCAPUDE-CYBMUJFWSA-N 1 2 292.427 2.194 10 30 CEEELO CCC[NH2+][C@H](C#N)CCSc1nnc2ccccn21 ZINC000062459335 520061931 /nfs/dbraw/zinc/06/19/31/520061931.db2.gz LDVBKLHUPZCHDX-NSHDSACASA-N 1 2 275.381 2.103 10 30 CEEELO C#Cc1cccc(NC(=O)[C@H]2COCC[N@H+]2CCCC)c1 ZINC000184216447 518364690 /nfs/dbraw/zinc/36/46/90/518364690.db2.gz PFBBIVZWLSKDSW-MRXNPFEDSA-N 1 2 286.375 2.107 10 30 CEEELO C#Cc1cccc(NC(=O)[C@H]2COCC[N@@H+]2CCCC)c1 ZINC000184216447 518364694 /nfs/dbraw/zinc/36/46/94/518364694.db2.gz PFBBIVZWLSKDSW-MRXNPFEDSA-N 1 2 286.375 2.107 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000062448745 520059999 /nfs/dbraw/zinc/05/99/99/520059999.db2.gz IMALFGVKCPCGMC-NSHDSACASA-N 1 2 281.287 2.395 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCSc1cc(C)nn1C ZINC000052311818 520127897 /nfs/dbraw/zinc/12/78/97/520127897.db2.gz UPFRROXYFAUXGL-GFCCVEGCSA-N 1 2 252.387 2.103 10 30 CEEELO CC[NH2+][C@@](C#N)(CN1CCOc2ccccc2C1)C1CC1 ZINC000069083420 520128265 /nfs/dbraw/zinc/12/82/65/520128265.db2.gz YZAPTNZKCILBAX-KRWDZBQOSA-N 1 2 285.391 2.163 10 30 CEEELO CCOC(=O)[C@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000156551908 521304215 /nfs/dbraw/zinc/30/42/15/521304215.db2.gz AKTKNTBIZTUBAH-ZDUSSCGKSA-N 1 2 287.363 2.350 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCSc1cc(C)nn1C ZINC000052311736 522406710 /nfs/dbraw/zinc/40/67/10/522406710.db2.gz GANZFMGZGNBPII-GFCCVEGCSA-N 1 2 252.387 2.103 10 30 CEEELO COCC[N@H+](C[C@@](C#N)(NC(C)C)C1CC1)[C@@H](C)C1CC1 ZINC000069080163 523731720 /nfs/dbraw/zinc/73/17/20/523731720.db2.gz GSJHVHDXJQPLKU-WMLDXEAASA-N 1 2 293.455 2.404 10 30 CEEELO COCC[N@@H+](C[C@@](C#N)(NC(C)C)C1CC1)[C@@H](C)C1CC1 ZINC000069080163 523731727 /nfs/dbraw/zinc/73/17/27/523731727.db2.gz GSJHVHDXJQPLKU-WMLDXEAASA-N 1 2 293.455 2.404 10 30 CEEELO CNC(=O)[C@@H]1CCCC[N@@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020509 524081744 /nfs/dbraw/zinc/08/17/44/524081744.db2.gz GYYNUAFQOWIHBZ-GJZGRUSLSA-N 1 2 271.364 2.242 10 30 CEEELO CNC(=O)[C@@H]1CCCC[N@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020509 524081745 /nfs/dbraw/zinc/08/17/45/524081745.db2.gz GYYNUAFQOWIHBZ-GJZGRUSLSA-N 1 2 271.364 2.242 10 30 CEEELO Cc1cc(SCC[C@@](C)(C#N)[NH2+]C(C)C)n(C)n1 ZINC000052311823 525435917 /nfs/dbraw/zinc/43/59/17/525435917.db2.gz LHSRCSLUYWJIGG-ZDUSSCGKSA-N 1 2 266.414 2.491 10 30 CEEELO N#C[C@@]([NH3+])(COc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000069089107 526503633 /nfs/dbraw/zinc/50/36/33/526503633.db2.gz FMYLJSNENPPPMM-GFCCVEGCSA-N 1 2 281.699 2.258 10 30 CEEELO N#Cc1ccc(Oc2nc(Cl)nc(-n3cc[nH+]c3)n2)cc1 ZINC000061521274 526679877 /nfs/dbraw/zinc/67/98/77/526679877.db2.gz PYHKCDHCKYHBLH-UHFFFAOYSA-N 1 2 298.693 2.375 10 30 CEEELO C#CCOCCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000154143546 640813317 /nfs/dbraw/zinc/81/33/17/640813317.db2.gz JJKCXVDQWXYNBG-AWEZNQCLSA-N 1 2 297.358 2.089 10 30 CEEELO Cc1nnc(NCc2cc[nH+]c(N(C)C)c2)c(C#N)c1C ZINC000040512425 343437676 /nfs/dbraw/zinc/43/76/76/343437676.db2.gz POILRJJLNFOYNY-UHFFFAOYSA-N 1 2 282.351 2.038 10 30 CEEELO Cc1ccc(NC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)nc1 ZINC000328635129 344757129 /nfs/dbraw/zinc/75/71/29/344757129.db2.gz UNLXABSXYFKEHF-ZDUSSCGKSA-N 1 2 299.378 2.326 10 30 CEEELO Cc1ccc(NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000328632789 344757187 /nfs/dbraw/zinc/75/71/87/344757187.db2.gz SERSERSCUGDMKU-LBPRGKRZSA-N 1 2 285.351 2.175 10 30 CEEELO Cc1ccc(CC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000328623447 344755573 /nfs/dbraw/zinc/75/55/73/344755573.db2.gz JECYUWHYULFDMO-CQSZACIVSA-N 1 2 284.363 2.348 10 30 CEEELO Cc1ccncc1NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328628945 344756099 /nfs/dbraw/zinc/75/60/99/344756099.db2.gz OFRXKLMXIJJYRY-LBPRGKRZSA-N 1 2 285.351 2.175 10 30 CEEELO N/C(=[NH+]\O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000019865784 136579096 /nfs/dbraw/zinc/57/90/96/136579096.db2.gz CKFRBAFXSRZGRY-UHFFFAOYSA-N 1 2 267.332 2.344 10 30 CEEELO C[NH2+][C@]1(C#N)CCC[C@H](n2cc(Br)cn2)C1 ZINC000086604087 179311024 /nfs/dbraw/zinc/31/10/24/179311024.db2.gz JJTOUKYBQJMFJN-WDEREUQCSA-N 1 2 283.173 2.242 10 30 CEEELO COCC[N@H+](CCC#N)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898378 180058480 /nfs/dbraw/zinc/05/84/80/180058480.db2.gz JOTOYNNPQMQFHJ-OAHLLOKOSA-N 1 2 274.364 2.161 10 30 CEEELO COCC[N@@H+](CCC#N)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898378 180058482 /nfs/dbraw/zinc/05/84/82/180058482.db2.gz JOTOYNNPQMQFHJ-OAHLLOKOSA-N 1 2 274.364 2.161 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000091748625 180245329 /nfs/dbraw/zinc/24/53/29/180245329.db2.gz LIGOLOQIJGJQKM-JTQLQIEISA-N 1 2 270.163 2.291 10 30 CEEELO Cc1cc(NC(=O)c2cc(C#CCO)ccc2C)cc[nH+]1 ZINC000092365919 180369082 /nfs/dbraw/zinc/36/90/82/180369082.db2.gz ABSDRRGATOEJPQ-UHFFFAOYSA-N 1 2 280.327 2.295 10 30 CEEELO CCC[NH2+][C@]1(C#N)CC[C@@H](Sc2nnc(C)n2C)C1 ZINC000093807123 184724056 /nfs/dbraw/zinc/72/40/56/184724056.db2.gz IHODYGRYDODFHV-DGCLKSJQSA-N 1 2 279.413 2.030 10 30 CEEELO Cc1cc(NCC[C@H](C)[S@@](C)=O)c(C#N)c(C)[nH+]1 ZINC000158086258 395037843 /nfs/dbraw/zinc/03/78/43/395037843.db2.gz DOHFRJIQCLKCAK-YPMLDQLKSA-N 1 2 265.382 2.139 10 30 CEEELO C=CCCCCC[N@@H+](C)Cc1nnnn1C(C)C ZINC000150896191 400281413 /nfs/dbraw/zinc/28/14/13/400281413.db2.gz ZFIDDMZFBOQTSK-UHFFFAOYSA-N 1 2 251.378 2.432 10 30 CEEELO C=CCCCCC[N@H+](C)Cc1nnnn1C(C)C ZINC000150896191 400281418 /nfs/dbraw/zinc/28/14/18/400281418.db2.gz ZFIDDMZFBOQTSK-UHFFFAOYSA-N 1 2 251.378 2.432 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000045326988 175359820 /nfs/dbraw/zinc/35/98/20/175359820.db2.gz AEKGFENSDZVAJK-INIZCTEOSA-N 1 2 287.363 2.232 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1cc(OC)cc(OC)c1 ZINC000071139093 176037497 /nfs/dbraw/zinc/03/74/97/176037497.db2.gz NXUVHZYOYVOQQH-GFCCVEGCSA-N 1 2 278.352 2.364 10 30 CEEELO Cc1c(/C=[NH+]\CCOCc2ccccc2)cnn1C ZINC000013115994 326837743 /nfs/dbraw/zinc/83/77/43/326837743.db2.gz DFYSHCIMXHZIKC-YBEGLDIGSA-N 1 2 257.337 2.364 10 30 CEEELO CC(C)(C)c1[nH+]c(-c2cccc(C#N)c2)c(N)n1N ZINC000052839657 519090522 /nfs/dbraw/zinc/09/05/22/519090522.db2.gz CCUSQFMJWMUWCL-UHFFFAOYSA-N 1 2 255.325 2.015 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@@H](C)Oc1ccc2c(c1)OCO2 ZINC000068619081 520224936 /nfs/dbraw/zinc/22/49/36/520224936.db2.gz ZUJGTAQMHGMZCC-ABAIWWIYSA-N 1 2 276.336 2.464 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCn1cc(-c2ccccc2)cn1 ZINC000054961821 522406628 /nfs/dbraw/zinc/40/66/28/522406628.db2.gz XSIUQVAYIKQZQM-OAHLLOKOSA-N 1 2 254.337 2.442 10 30 CEEELO Cc1cc(C)c(OCCC/C(N)=[NH+]/O)c([N+](=O)[O-])c1 ZINC000050441901 524308793 /nfs/dbraw/zinc/30/87/93/524308793.db2.gz YAFAGTCDPJAELP-UHFFFAOYSA-N 1 2 267.285 2.117 10 30 CEEELO COc1ccc(O[C@H](C)C[C@](C)([NH3+])C#N)c([N+](=O)[O-])c1 ZINC000068622630 524989132 /nfs/dbraw/zinc/98/91/32/524989132.db2.gz WDALSEXMKREDQL-RNCFNFMXSA-N 1 2 279.296 2.002 10 30 CEEELO COc1ccc(O[C@H](C)C[C@@](C)([NH3+])C#N)c([N+](=O)[O-])c1 ZINC000068622634 524990327 /nfs/dbraw/zinc/99/03/27/524990327.db2.gz WDALSEXMKREDQL-NOZJJQNGSA-N 1 2 279.296 2.002 10 30 CEEELO Cc1nn(CC[C@@H](C#N)[NH2+]C(C)C)c(C)c1Cl ZINC000062440875 526281391 /nfs/dbraw/zinc/28/13/91/526281391.db2.gz KNQJBQUUKDRWMT-NSHDSACASA-N 1 2 254.765 2.434 10 30 CEEELO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000125030525 365665279 /nfs/dbraw/zinc/66/52/79/365665279.db2.gz VJAJJPIJEKHAGW-CHWSQXEVSA-N 1 2 282.409 2.152 10 30 CEEELO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000125030525 365665281 /nfs/dbraw/zinc/66/52/81/365665281.db2.gz VJAJJPIJEKHAGW-CHWSQXEVSA-N 1 2 282.409 2.152 10 30 CEEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)C1(O)CCCCC1 ZINC000328618490 344755578 /nfs/dbraw/zinc/75/55/78/344755578.db2.gz DSXJFBNAABUFFO-GFCCVEGCSA-N 1 2 277.368 2.097 10 30 CEEELO COC(=O)c1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)oc1C ZINC000061892375 362696868 /nfs/dbraw/zinc/69/68/68/362696868.db2.gz UQNHTYRQPSIQMR-MFKMUULPSA-N 1 2 262.309 2.157 10 30 CEEELO CC[NH2+][C@]1(C#N)CC[C@@H](n2cc(Br)cn2)C1 ZINC000086623177 179311626 /nfs/dbraw/zinc/31/16/26/179311626.db2.gz JICLQOKECBRLNJ-GHMZBOCLSA-N 1 2 283.173 2.242 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1cc2ccccc2nc1Cl ZINC000091748109 180244986 /nfs/dbraw/zinc/24/49/86/180244986.db2.gz JTUPEPHHVNILEX-CYBMUJFWSA-N 1 2 286.766 2.186 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000091748086 180245424 /nfs/dbraw/zinc/24/54/24/180245424.db2.gz SQTXQWKVVBEMLV-LBPRGKRZSA-N 1 2 269.270 2.003 10 30 CEEELO Cc1cc(NC(=O)c2cc(F)ccc2C#CCO)cc[nH+]1 ZINC000092365894 180369193 /nfs/dbraw/zinc/36/91/93/180369193.db2.gz SFBUPEZKZLUSNN-UHFFFAOYSA-N 1 2 284.290 2.125 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000109454451 186254014 /nfs/dbraw/zinc/25/40/14/186254014.db2.gz URHQEWKUEZNEJL-AWEZNQCLSA-N 1 2 291.370 2.254 10 30 CEEELO CCCOCCOCCC[C@@](C)(C#N)[NH2+]C1CC1 ZINC000111110235 186354081 /nfs/dbraw/zinc/35/40/81/186354081.db2.gz VASHZRHNMQGJCS-AWEZNQCLSA-N 1 2 254.374 2.244 10 30 CEEELO Cc1cc(NCCCNc2ncccn2)c(C#N)c(C)[nH+]1 ZINC000301773300 201187335 /nfs/dbraw/zinc/18/73/35/201187335.db2.gz KBIZDUYNUQJHGG-UHFFFAOYSA-N 1 2 282.351 2.274 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000186336186 368958915 /nfs/dbraw/zinc/95/89/15/368958915.db2.gz CYFVDZQACBEMHD-MRXNPFEDSA-N 1 2 288.347 2.094 10 30 CEEELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000186336186 368958919 /nfs/dbraw/zinc/95/89/19/368958919.db2.gz CYFVDZQACBEMHD-MRXNPFEDSA-N 1 2 288.347 2.094 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2ccccc2OC)c1N ZINC000040708981 174380876 /nfs/dbraw/zinc/38/08/76/174380876.db2.gz DVCVBDDRXXFARP-UHFFFAOYSA-N 1 2 271.324 2.409 10 30 CEEELO C[C@](N)(C#N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000045175732 175323682 /nfs/dbraw/zinc/32/36/82/175323682.db2.gz HMRUDICZHOUTGN-INIZCTEOSA-N 1 2 257.381 2.182 10 30 CEEELO CCOCCOCCCC[C@](C)(C#N)[NH2+]C1CC1 ZINC000045325433 175359801 /nfs/dbraw/zinc/35/98/01/175359801.db2.gz YOEHQUCOBUKNMT-CQSZACIVSA-N 1 2 254.374 2.244 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCCCOCCOCC ZINC000045325424 175359883 /nfs/dbraw/zinc/35/98/83/175359883.db2.gz AVHNSVZJBWJSEZ-AWEZNQCLSA-N 1 2 256.390 2.492 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000045331346 175360451 /nfs/dbraw/zinc/36/04/51/175360451.db2.gz CSHIKFCGNBTPSS-CYBMUJFWSA-N 1 2 281.287 2.395 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCSc1ncc(C)cn1 ZINC000045367119 175362938 /nfs/dbraw/zinc/36/29/38/175362938.db2.gz OSDZBNPIIIUHPR-LBPRGKRZSA-N 1 2 250.371 2.159 10 30 CEEELO CO[C@H]1CN(c2cc(C)[nH+]c(C)c2C#N)CC[C@@H]1C ZINC000221015526 277344168 /nfs/dbraw/zinc/34/41/68/277344168.db2.gz RKHTWBFSXSXZJO-BONVTDFDSA-N 1 2 259.353 2.431 10 30 CEEELO CC(C)[C@H]1CCO[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329454771 280390478 /nfs/dbraw/zinc/39/04/78/280390478.db2.gz OANGQWYMHIYXRW-ZIAGYGMSSA-N 1 2 298.427 2.115 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCSc1nnc2ccccn21 ZINC000061407980 520129115 /nfs/dbraw/zinc/12/91/15/520129115.db2.gz YILNFSMAXGINSI-CYBMUJFWSA-N 1 2 275.381 2.103 10 30 CEEELO CC[NH2+][C@@](C#N)(CSC1CCOCC1)C1CC1 ZINC000069094395 520129174 /nfs/dbraw/zinc/12/91/74/520129174.db2.gz NAVBRUHKPBURBP-ZDUSSCGKSA-N 1 2 254.399 2.180 10 30 CEEELO CC(C)(C)c1[nH+]c(-c2ccc(C#N)cc2)c(N)n1N ZINC000052839702 519089191 /nfs/dbraw/zinc/08/91/91/519089191.db2.gz YPQQSFLGVSFIOM-UHFFFAOYSA-N 1 2 255.325 2.015 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCSc1nnc2ccccn21 ZINC000061407991 519735764 /nfs/dbraw/zinc/73/57/64/519735764.db2.gz WMBQYAOYBBXBOB-CQSZACIVSA-N 1 2 289.408 2.492 10 30 CEEELO CC[NH2+][C@@H](C#N)CCn1nc(C)c(Br)c1C ZINC000062440912 520058731 /nfs/dbraw/zinc/05/87/31/520058731.db2.gz HACOQQMZZNSTHK-SNVBAGLBSA-N 1 2 285.189 2.154 10 30 CEEELO CN[C@@](C#N)(C[N@@H+]1CCCc2ccccc2C1)C1CC1 ZINC000069083119 522403183 /nfs/dbraw/zinc/40/31/83/522403183.db2.gz QMGQXZQTGOZLFJ-KRWDZBQOSA-N 1 2 269.392 2.327 10 30 CEEELO CN[C@@](C#N)(C[N@H+]1CCCc2ccccc2C1)C1CC1 ZINC000069083119 522403195 /nfs/dbraw/zinc/40/31/95/522403195.db2.gz QMGQXZQTGOZLFJ-KRWDZBQOSA-N 1 2 269.392 2.327 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCSc1nnc2ccccn21 ZINC000061407858 522511692 /nfs/dbraw/zinc/51/16/92/522511692.db2.gz SPLQDYLWVVZYIS-ZDUSSCGKSA-N 1 2 275.381 2.103 10 30 CEEELO CC[C@H]1COCC[N@@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049613308 523336611 /nfs/dbraw/zinc/33/66/11/523336611.db2.gz TUGYXYPOKMSAKE-INIZCTEOSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@H]1COCC[N@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049613308 523336613 /nfs/dbraw/zinc/33/66/13/523336613.db2.gz TUGYXYPOKMSAKE-INIZCTEOSA-N 1 2 291.366 2.170 10 30 CEEELO C[C@H]1C[NH+](Cc2ccc(F)cc2C#CCCO)C[C@H](C)O1 ZINC000049615972 524621859 /nfs/dbraw/zinc/62/18/59/524621859.db2.gz YKKBKUMUUHRFIC-KBPBESRZSA-N 1 2 291.366 2.169 10 30 CEEELO N#C[C@@H]([NH3+])COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000050440601 526494861 /nfs/dbraw/zinc/49/48/61/526494861.db2.gz OAUYQRUZCRHCDM-RXMQYKEDSA-N 1 2 276.079 2.131 10 30 CEEELO Cc1[nH+]c2ccccc2n1CC[C@@H](C#N)NC1CC1 ZINC000062439931 527170780 /nfs/dbraw/zinc/17/07/80/527170780.db2.gz RVYAZGAZXWTHHZ-ZDUSSCGKSA-N 1 2 254.337 2.379 10 30 CEEELO C[C@@H](C/N=C/c1cc(Cl)ccc1O)[NH+]1CCOCC1 ZINC000075533280 628586262 /nfs/dbraw/zinc/58/62/62/628586262.db2.gz ZUXGJBTUZVXWEC-YAFRSCOQSA-N 1 2 282.771 2.185 10 30 CEEELO CCC[C@@H](C#N)N1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000112766588 136566345 /nfs/dbraw/zinc/56/63/45/136566345.db2.gz MVKLIIPXQGTZSH-AWEZNQCLSA-N 1 2 258.369 2.204 10 30 CEEELO Cc1cc(NC(=O)c2ccccc2C#CCCO)cc[nH+]1 ZINC000092365896 180368866 /nfs/dbraw/zinc/36/88/66/180368866.db2.gz BNQCRKFJLCYHQY-UHFFFAOYSA-N 1 2 280.327 2.376 10 30 CEEELO CC[C@@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000109454573 186253850 /nfs/dbraw/zinc/25/38/50/186253850.db2.gz IKMKWKJKRALNDI-HNNXBMFYSA-N 1 2 286.354 2.117 10 30 CEEELO COc1c(C[N@H+](C)Cc2cccc(C#N)c2)c(C)nn1C ZINC000130771189 365989443 /nfs/dbraw/zinc/98/94/43/365989443.db2.gz LLQAGVUPDRKVJV-UHFFFAOYSA-N 1 2 284.363 2.241 10 30 CEEELO COc1c(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)nn1C ZINC000130771189 365989446 /nfs/dbraw/zinc/98/94/46/365989446.db2.gz LLQAGVUPDRKVJV-UHFFFAOYSA-N 1 2 284.363 2.241 10 30 CEEELO N#Cc1ccc(CN2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000162902750 188594524 /nfs/dbraw/zinc/59/45/24/188594524.db2.gz VASGSXAUOAGYHJ-UHFFFAOYSA-N 1 2 272.739 2.424 10 30 CEEELO Cc1cc(N2CCC[C@H]2C[C@@H](C)O)c(C#N)c(C)[nH+]1 ZINC000133145810 366199412 /nfs/dbraw/zinc/19/94/12/366199412.db2.gz RSWZQKPETQVOJW-YPMHNXCESA-N 1 2 259.353 2.310 10 30 CEEELO CCOC1CC[NH+](CC(=O)c2ccc(C#N)cc2)CC1 ZINC000040689715 174376469 /nfs/dbraw/zinc/37/64/69/174376469.db2.gz SMNYUBMGZDYESS-UHFFFAOYSA-N 1 2 272.348 2.242 10 30 CEEELO C[C@@](N)(C#N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000045175734 175323583 /nfs/dbraw/zinc/32/35/83/175323583.db2.gz HMRUDICZHOUTGN-MRXNPFEDSA-N 1 2 257.381 2.182 10 30 CEEELO CC[NH+](CC)C[C@](C#N)(NC1CC1)c1ccccc1 ZINC000045178962 175324368 /nfs/dbraw/zinc/32/43/68/175324368.db2.gz YEUCOQUERUMVIO-INIZCTEOSA-N 1 2 257.381 2.499 10 30 CEEELO CCC[N@H+](C[C@](C#N)(NC)c1ccccc1)C1CC1 ZINC000045180607 175324596 /nfs/dbraw/zinc/32/45/96/175324596.db2.gz RYOSASUVUSYXQZ-INIZCTEOSA-N 1 2 257.381 2.499 10 30 CEEELO CCC[N@@H+](C[C@](C#N)(NC)c1ccccc1)C1CC1 ZINC000045180607 175324598 /nfs/dbraw/zinc/32/45/98/175324598.db2.gz RYOSASUVUSYXQZ-INIZCTEOSA-N 1 2 257.381 2.499 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCCOC[C@H]1CCCO1 ZINC000045325219 175359566 /nfs/dbraw/zinc/35/95/66/175359566.db2.gz KOVWPXCDTLSZEV-KGLIPLIRSA-N 1 2 254.374 2.242 10 30 CEEELO CC(C)OCCOCCC[C@](C)(C#N)[NH2+]C1CC1 ZINC000045326250 175359878 /nfs/dbraw/zinc/35/98/78/175359878.db2.gz FDLVCDSSTPUBMK-CQSZACIVSA-N 1 2 254.374 2.242 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCSc1ncccn1 ZINC000045365599 175362524 /nfs/dbraw/zinc/36/25/24/175362524.db2.gz IHKLXSOTMUPECU-GFCCVEGCSA-N 1 2 250.371 2.241 10 30 CEEELO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C#N)C[C@H](C)S1 ZINC000070383264 175902824 /nfs/dbraw/zinc/90/28/24/175902824.db2.gz AVTUHKDIJCXAML-TXEJJXNPSA-N 1 2 289.404 2.323 10 30 CEEELO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C#N)C[C@H](C)S1 ZINC000070383264 175902826 /nfs/dbraw/zinc/90/28/26/175902826.db2.gz AVTUHKDIJCXAML-TXEJJXNPSA-N 1 2 289.404 2.323 10 30 CEEELO CCCNC(=O)[C@@H](C)[NH2+][C@H](CC#N)c1ccccc1 ZINC000055018042 519888444 /nfs/dbraw/zinc/88/84/44/519888444.db2.gz VVRSWDXOTWQMPN-TZMCWYRMSA-N 1 2 259.353 2.146 10 30 CEEELO CC1(C)C[N@H+](Cc2ccc(F)cc2C#CCCO)CCO1 ZINC000049613269 520479240 /nfs/dbraw/zinc/47/92/40/520479240.db2.gz KFYJPPKZDVUAHU-UHFFFAOYSA-N 1 2 291.366 2.170 10 30 CEEELO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#CCCO)CCO1 ZINC000049613269 520479242 /nfs/dbraw/zinc/47/92/42/520479242.db2.gz KFYJPPKZDVUAHU-UHFFFAOYSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#CCCO)c2)CCO1 ZINC000049618443 523451177 /nfs/dbraw/zinc/45/11/77/523451177.db2.gz LUPFISRLOYQJHV-MRXNPFEDSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@@H]1C[N@H+](Cc2ccc(F)c(C#CCCO)c2)CCO1 ZINC000049618443 523451173 /nfs/dbraw/zinc/45/11/73/523451173.db2.gz LUPFISRLOYQJHV-MRXNPFEDSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049614724 523508425 /nfs/dbraw/zinc/50/84/25/523508425.db2.gz VUALHEZDRUYJCJ-XJKSGUPXSA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049614724 523508428 /nfs/dbraw/zinc/50/84/28/523508428.db2.gz VUALHEZDRUYJCJ-XJKSGUPXSA-N 1 2 291.366 2.169 10 30 CEEELO C[C@@H]1C[NH+](Cc2ccc(F)c(C#CCCO)c2)C[C@@H](C)O1 ZINC000049615983 524994220 /nfs/dbraw/zinc/99/42/20/524994220.db2.gz IDTMOZHRFWOZQO-ZIAGYGMSSA-N 1 2 291.366 2.169 10 30 CEEELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(CC2(C#N)CC2)C1 ZINC000888102698 628870940 /nfs/dbraw/zinc/87/09/40/628870940.db2.gz HCHFVUFIIKTKTN-OLZOCXBDSA-N 1 2 274.368 2.092 10 30 CEEELO Cc1[nH+]c2cc(Br)ccn2c1CC#N ZINC000082694969 178190676 /nfs/dbraw/zinc/19/06/76/178190676.db2.gz OSPDDQGCKLHUOD-UHFFFAOYSA-N 1 2 250.099 2.471 10 30 CEEELO CC[NH2+][C@@](C)(C#N)C[C@@H](C)Sc1nncs1 ZINC000082797131 178301482 /nfs/dbraw/zinc/30/14/82/178301482.db2.gz ICRUBDYFEUMAID-PSASIEDQSA-N 1 2 256.400 2.301 10 30 CEEELO N#Cc1ccc(Br)c([C@H]2CC[NH2+]2)c1O ZINC000307043229 344719657 /nfs/dbraw/zinc/71/96/57/344719657.db2.gz UMXVCXUKDYWQAN-MRVPVSSYSA-N 1 2 253.099 2.061 10 30 CEEELO Cc1ccoc1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328634209 344757449 /nfs/dbraw/zinc/75/74/49/344757449.db2.gz TTXTVAOGKDLHQM-NSHDSACASA-N 1 2 259.309 2.352 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@H](C)Sc1ncccn1 ZINC000084310356 178854975 /nfs/dbraw/zinc/85/49/75/178854975.db2.gz DIOPSOCVGZSIFA-JQWIXIFHSA-N 1 2 250.371 2.239 10 30 CEEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000061892549 362696721 /nfs/dbraw/zinc/69/67/21/362696721.db2.gz FLOONHDNAFVCMK-UWVGGRQHSA-N 1 2 251.311 2.438 10 30 CEEELO N#Cc1cccc(OCCCN2CCn3cc[nH+]c3C2)c1 ZINC000062251888 362715875 /nfs/dbraw/zinc/71/58/75/362715875.db2.gz BFEHMXZJIKYDMW-UHFFFAOYSA-N 1 2 282.347 2.039 10 30 CEEELO CC[NH2+][C@]1(C#N)CC[C@H](Sc2nncs2)C1 ZINC000086624237 179312368 /nfs/dbraw/zinc/31/23/68/179312368.db2.gz MIFPLZSMTUACTF-WCBMZHEXSA-N 1 2 254.384 2.055 10 30 CEEELO CC(C)[NH2+][C@@](C#N)(CSC[C@@H](C)CO)C1CC1 ZINC000091258217 180115352 /nfs/dbraw/zinc/11/53/52/180115352.db2.gz YRGGYRBMCHWQKT-AAEUAGOBSA-N 1 2 256.415 2.018 10 30 CEEELO CCC[NH2+][C@](C)(C#N)C[C@H](C)SC[C@@H](C)CO ZINC000091258281 180115477 /nfs/dbraw/zinc/11/54/77/180115477.db2.gz CQJIPGVGLGVPMF-AVGNSLFASA-N 1 2 258.431 2.408 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCCSC[C@@H](C)CO ZINC000091258268 180115570 /nfs/dbraw/zinc/11/55/70/180115570.db2.gz FYDUXFDHMHXKSD-QWHCGFSZSA-N 1 2 258.431 2.410 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCCSC[C@H](C)CO ZINC000091258242 180115574 /nfs/dbraw/zinc/11/55/74/180115574.db2.gz JWFUCAZKORNAPR-OLZOCXBDSA-N 1 2 258.431 2.408 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1cccc2ccccc21 ZINC000091748027 180244710 /nfs/dbraw/zinc/24/47/10/180244710.db2.gz AAZUUBUSCXYLGA-OAHLLOKOSA-N 1 2 251.333 2.137 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1CC12CC3CC(CC(C3)C1)C2 ZINC000091748028 180245267 /nfs/dbraw/zinc/24/52/67/180245267.db2.gz PQTJFXPBMZEYPP-IBHBGHMQSA-N 1 2 259.397 2.000 10 30 CEEELO CCn1c[nH+]cc1[C@@H](O)[C@@]1(C#N)COc2ccccc2C1 ZINC000091904402 180282830 /nfs/dbraw/zinc/28/28/30/180282830.db2.gz YJYDCCYPFMAHMG-CVEARBPZSA-N 1 2 283.331 2.081 10 30 CEEELO CCC[C@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000109456985 186254421 /nfs/dbraw/zinc/25/44/21/186254421.db2.gz LPFZJXLCOOMDSL-QGZVFWFLSA-N 1 2 282.391 2.368 10 30 CEEELO N#Cc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000176343059 368227644 /nfs/dbraw/zinc/22/76/44/368227644.db2.gz XSDIGFWMCJXIEQ-OAHLLOKOSA-N 1 2 295.346 2.451 10 30 CEEELO C[C@H](C#N)CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000182693509 368581737 /nfs/dbraw/zinc/58/17/37/368581737.db2.gz ZBGGWQIUISSHPL-OLZOCXBDSA-N 1 2 297.362 2.392 10 30 CEEELO CC[NH2+][C@]1(C#N)CCC[C@@H]1CCOCCCOC ZINC000093576875 184692173 /nfs/dbraw/zinc/69/21/73/184692173.db2.gz YRIBWZRWRYIVBA-KGLIPLIRSA-N 1 2 254.374 2.102 10 30 CEEELO N#CCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121547411 394799361 /nfs/dbraw/zinc/79/93/61/394799361.db2.gz BMIWKNZROZTFNY-BXUZGUMPSA-N 1 2 266.291 2.376 10 30 CEEELO N#CCCC[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121547411 394799363 /nfs/dbraw/zinc/79/93/63/394799363.db2.gz BMIWKNZROZTFNY-BXUZGUMPSA-N 1 2 266.291 2.376 10 30 CEEELO CC(C)[C@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044809618 175257515 /nfs/dbraw/zinc/25/75/15/175257515.db2.gz ARFLQKAYAWKGNA-INIZCTEOSA-N 1 2 285.391 2.127 10 30 CEEELO CCC[C@H](C#N)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000044809221 175257726 /nfs/dbraw/zinc/25/77/26/175257726.db2.gz ALNDGTFXNSCGJL-HZPDHXFCSA-N 1 2 285.391 2.442 10 30 CEEELO CCC[C@H](C#N)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000044809221 175257728 /nfs/dbraw/zinc/25/77/28/175257728.db2.gz ALNDGTFXNSCGJL-HZPDHXFCSA-N 1 2 285.391 2.442 10 30 CEEELO CCCC(C#N)(CCC)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000044824647 175259304 /nfs/dbraw/zinc/25/93/04/175259304.db2.gz QKEJXUKGBSDYMJ-UHFFFAOYSA-N 1 2 277.412 2.403 10 30 CEEELO CCN[C@@](C#N)(C[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000045178160 175323896 /nfs/dbraw/zinc/32/38/96/175323896.db2.gz FMVSXOOYBAOGCN-HOCLYGCPSA-N 1 2 257.381 2.499 10 30 CEEELO CCN[C@@](C#N)(C[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000045178160 175323897 /nfs/dbraw/zinc/32/38/97/175323897.db2.gz FMVSXOOYBAOGCN-HOCLYGCPSA-N 1 2 257.381 2.499 10 30 CEEELO CCN[C@@](C#N)(C[N@H+](C)C1CCOCC1)c1ccccc1 ZINC000045181204 175324792 /nfs/dbraw/zinc/32/47/92/175324792.db2.gz YDCRZTSGSKWFSV-KRWDZBQOSA-N 1 2 287.407 2.126 10 30 CEEELO CCN[C@@](C#N)(C[N@@H+](C)C1CCOCC1)c1ccccc1 ZINC000045181204 175324794 /nfs/dbraw/zinc/32/47/94/175324794.db2.gz YDCRZTSGSKWFSV-KRWDZBQOSA-N 1 2 287.407 2.126 10 30 CEEELO CC(C)C[N@H+](C[C@](N)(C#N)c1ccccc1)C1CC1 ZINC000045182292 175325485 /nfs/dbraw/zinc/32/54/85/175325485.db2.gz GEMXVBVEKJGJHL-MRXNPFEDSA-N 1 2 257.381 2.485 10 30 CEEELO CC(C)C[N@@H+](C[C@](N)(C#N)c1ccccc1)C1CC1 ZINC000045182292 175325486 /nfs/dbraw/zinc/32/54/86/175325486.db2.gz GEMXVBVEKJGJHL-MRXNPFEDSA-N 1 2 257.381 2.485 10 30 CEEELO CCN[C@@](C)(C#N)Cn1cc[nH+]c1-c1ccccc1 ZINC000045207065 175328480 /nfs/dbraw/zinc/32/84/80/175328480.db2.gz URKYZTRWMBMEOE-HNNXBMFYSA-N 1 2 254.337 2.442 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1c(OC)cccc1OC ZINC000045326814 175359631 /nfs/dbraw/zinc/35/96/31/175359631.db2.gz ZCBSSTWCMICVSL-HNNXBMFYSA-N 1 2 278.352 2.364 10 30 CEEELO CCOCCOCCCC[C@@](C)(C#N)[NH2+]C1CC1 ZINC000045325431 175359772 /nfs/dbraw/zinc/35/97/72/175359772.db2.gz YOEHQUCOBUKNMT-AWEZNQCLSA-N 1 2 254.374 2.244 10 30 CEEELO N#C[C@@H]([NH3+])CSc1ccc(Br)cc1 ZINC000045333061 175360725 /nfs/dbraw/zinc/36/07/25/175360725.db2.gz IKGFUGHVZHQEMI-MRVPVSSYSA-N 1 2 257.156 2.392 10 30 CEEELO N#Cc1ccc(N2CCn3cc[nH+]c3C2)cc1Cl ZINC000062255506 279523390 /nfs/dbraw/zinc/52/33/90/279523390.db2.gz GHZFYKJHGWFRAH-UHFFFAOYSA-N 1 2 258.712 2.428 10 30 CEEELO COc1ccc(C[N@H+]2[C@H](C)COC[C@@H]2C)cc1C#N ZINC000135095994 280037165 /nfs/dbraw/zinc/03/71/65/280037165.db2.gz USBKOFPCIQWVTC-TXEJJXNPSA-N 1 2 260.337 2.176 10 30 CEEELO COc1ccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)cc1C#N ZINC000135095994 280037167 /nfs/dbraw/zinc/03/71/67/280037167.db2.gz USBKOFPCIQWVTC-TXEJJXNPSA-N 1 2 260.337 2.176 10 30 CEEELO CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000329302829 280390782 /nfs/dbraw/zinc/39/07/82/280390782.db2.gz WZBAFUTXWXQVMY-GBJTYRQASA-N 1 2 298.427 2.113 10 30 CEEELO C[NH+](C)C1(C#N)CCN(C(=O)N2CCc3ccccc32)CC1 ZINC000274775478 328213412 /nfs/dbraw/zinc/21/34/12/328213412.db2.gz TZDYQBUQDHTJPE-UHFFFAOYSA-N 1 2 298.390 2.089 10 30 CEEELO CC(C)C[N@H+](CC(N)=O)[C@@H](CC#N)c1ccccc1 ZINC000055020616 519714611 /nfs/dbraw/zinc/71/46/11/519714611.db2.gz STIDCBXOGLHVCS-AWEZNQCLSA-N 1 2 259.353 2.085 10 30 CEEELO CC(C)C[N@@H+](CC(N)=O)[C@@H](CC#N)c1ccccc1 ZINC000055020616 519714612 /nfs/dbraw/zinc/71/46/12/519714612.db2.gz STIDCBXOGLHVCS-AWEZNQCLSA-N 1 2 259.353 2.085 10 30 CEEELO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049613307 523498693 /nfs/dbraw/zinc/49/86/93/523498693.db2.gz TUGYXYPOKMSAKE-MRXNPFEDSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@@H]1COCC[N@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049613307 523498699 /nfs/dbraw/zinc/49/86/99/523498699.db2.gz TUGYXYPOKMSAKE-MRXNPFEDSA-N 1 2 291.366 2.170 10 30 CEEELO COCC[NH+](CCOC)[C@@H](CC#N)c1ccccc1 ZINC000055020316 523724120 /nfs/dbraw/zinc/72/41/20/523724120.db2.gz QPXMBWOMROTVGU-HNNXBMFYSA-N 1 2 262.353 2.236 10 30 CEEELO N#C[C@]([NH3+])(CSc1nc2ccccc2[nH]1)C1CC1 ZINC000069090947 526514397 /nfs/dbraw/zinc/51/43/97/526514397.db2.gz CCXHIZGVDOXZNY-ZDUSSCGKSA-N 1 2 258.350 2.286 10 30 CEEELO Cc1nscc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328637918 344757324 /nfs/dbraw/zinc/75/73/24/344757324.db2.gz WCEVHIRRUACUPM-SNVBAGLBSA-N 1 2 276.365 2.215 10 30 CEEELO Cc1cc(N[C@H]2CNc3ccccc3C2)c(C#N)c[nH+]1 ZINC000404466428 344880793 /nfs/dbraw/zinc/88/07/93/344880793.db2.gz TUPXNZXQLWLEGT-CQSZACIVSA-N 1 2 264.332 2.132 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2cc(Br)cs2)no1 ZINC000086140470 179236882 /nfs/dbraw/zinc/23/68/82/179236882.db2.gz PBWAJDBJKKMESI-UHFFFAOYSA-N 1 2 298.165 2.283 10 30 CEEELO C[NH2+][C@]1(C#N)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000086604089 179310717 /nfs/dbraw/zinc/31/07/17/179310717.db2.gz JJTOUKYBQJMFJN-GHMZBOCLSA-N 1 2 283.173 2.242 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCCSC[C@H](C)CO ZINC000091258244 180115238 /nfs/dbraw/zinc/11/52/38/180115238.db2.gz JWFUCAZKORNAPR-CHWSQXEVSA-N 1 2 258.431 2.408 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCCSC[C@@H](C)CO ZINC000091258261 180115358 /nfs/dbraw/zinc/11/53/58/180115358.db2.gz FYDUXFDHMHXKSD-STQMWFEESA-N 1 2 258.431 2.410 10 30 CEEELO C[C@@H](CO)CSCCC[C@@](C)(C#N)[NH2+]C1CC1 ZINC000091258309 180115565 /nfs/dbraw/zinc/11/55/65/180115565.db2.gz WUGIUBOBNMXHOI-AAEUAGOBSA-N 1 2 256.415 2.162 10 30 CEEELO CCn1c[nH+]cc1[C@@H](O)[C@]1(C#N)CCOc2ccccc21 ZINC000091904356 180283077 /nfs/dbraw/zinc/28/30/77/180283077.db2.gz ZRIDNZQKIBALNK-CVEARBPZSA-N 1 2 283.331 2.180 10 30 CEEELO CCn1c[nH+]cc1[C@@H](O)[C@]1(C#N)COc2ccccc2C1 ZINC000091904404 180283278 /nfs/dbraw/zinc/28/32/78/180283278.db2.gz YJYDCCYPFMAHMG-HZPDHXFCSA-N 1 2 283.331 2.081 10 30 CEEELO CCCOCCOCCCC[C@@](C)(C#N)[NH2+]CC ZINC000111110218 186353393 /nfs/dbraw/zinc/35/33/93/186353393.db2.gz BGNAXHNDRKIOKQ-AWEZNQCLSA-N 1 2 256.390 2.492 10 30 CEEELO COc1ccc(C[NH2+][C@H]2CCCn3nc(C)nc32)cc1C#N ZINC000177593042 189059016 /nfs/dbraw/zinc/05/90/16/189059016.db2.gz WSQCLRQGKHNCBB-AWEZNQCLSA-N 1 2 297.362 2.092 10 30 CEEELO Cc1cc(NCCC2(C)OCCO2)c(C#N)c(C)[nH+]1 ZINC000302176950 201384023 /nfs/dbraw/zinc/38/40/23/201384023.db2.gz XNAVMTVMTSTBHM-UHFFFAOYSA-N 1 2 261.325 2.135 10 30 CEEELO CC(C)n1cc[nH+]c1CSc1nc(N)c(C#N)cc1C#N ZINC000102828438 364611784 /nfs/dbraw/zinc/61/17/84/364611784.db2.gz MVMLYAAFQQSCJF-UHFFFAOYSA-N 1 2 298.375 2.477 10 30 CEEELO CCC[NH2+][C@]1(C#N)CC[C@H](OCCOCCC)C1 ZINC000093805633 184724218 /nfs/dbraw/zinc/72/42/18/184724218.db2.gz VFFRHRZJXKZBQD-UONOGXRCSA-N 1 2 254.374 2.244 10 30 CEEELO Cc1cc(N2CCC(c3nncn3C)CC2)c(C#N)c(C)[nH+]1 ZINC000160480246 395060564 /nfs/dbraw/zinc/06/05/64/395060564.db2.gz HFAZYTWFUBELPJ-UHFFFAOYSA-N 1 2 296.378 2.083 10 30 CEEELO COc1cc(NC2=[NH+]CCCS2)cc(OC)c1OC ZINC000034971952 171908549 /nfs/dbraw/zinc/90/85/49/171908549.db2.gz XYKKWGQWOKCIKN-UHFFFAOYSA-N 1 2 282.365 2.426 10 30 CEEELO Cc1cc2[nH+]c(CCCO)n(CCC#N)c2cc1C ZINC000040310987 174230344 /nfs/dbraw/zinc/23/03/44/174230344.db2.gz BUASYXSNXQNNNR-UHFFFAOYSA-N 1 2 257.337 2.492 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2cccc(OC)c2)c1N ZINC000040687959 174375914 /nfs/dbraw/zinc/37/59/14/174375914.db2.gz DPJGVXBDCBTDCT-UHFFFAOYSA-N 1 2 271.324 2.409 10 30 CEEELO C=CCNc1nc[nH+]c(Nc2cccc(OC)c2)c1N ZINC000040687959 174375915 /nfs/dbraw/zinc/37/59/15/174375915.db2.gz DPJGVXBDCBTDCT-UHFFFAOYSA-N 1 2 271.324 2.409 10 30 CEEELO CC[N@H+](CCC#N)Cc1cc(C#CCCO)cs1 ZINC000043698691 175096825 /nfs/dbraw/zinc/09/68/25/175096825.db2.gz UJYXHWMAOZMAEO-UHFFFAOYSA-N 1 2 262.378 2.218 10 30 CEEELO CC[N@@H+](CCC#N)Cc1cc(C#CCCO)cs1 ZINC000043698691 175096826 /nfs/dbraw/zinc/09/68/26/175096826.db2.gz UJYXHWMAOZMAEO-UHFFFAOYSA-N 1 2 262.378 2.218 10 30 CEEELO Cc1c(C)n(CCCCn2cc[nH+]c2)c(N)c1C#N ZINC000045109036 175308706 /nfs/dbraw/zinc/30/87/06/175308706.db2.gz USCLTRLAXGCPBP-UHFFFAOYSA-N 1 2 257.341 2.236 10 30 CEEELO CC(C)[N@H+](C)C[C@](C#N)(NC1CC1)c1ccccc1 ZINC000045179342 175324090 /nfs/dbraw/zinc/32/40/90/175324090.db2.gz AYWKNDBWEMZIGM-INIZCTEOSA-N 1 2 257.381 2.498 10 30 CEEELO CC(C)[N@@H+](C)C[C@](C#N)(NC1CC1)c1ccccc1 ZINC000045179342 175324091 /nfs/dbraw/zinc/32/40/91/175324091.db2.gz AYWKNDBWEMZIGM-INIZCTEOSA-N 1 2 257.381 2.498 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCSc1ncc(C)cn1 ZINC000045220979 175329910 /nfs/dbraw/zinc/32/99/10/175329910.db2.gz MKZUTZBUFNVWOY-LBPRGKRZSA-N 1 2 250.371 2.159 10 30 CEEELO CN[C@H](C#N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000045308530 175356402 /nfs/dbraw/zinc/35/64/02/175356402.db2.gz YQEVHOMGJNETER-MRXNPFEDSA-N 1 2 257.381 2.053 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCCOCCOC(C)C ZINC000045326282 175359792 /nfs/dbraw/zinc/35/97/92/175359792.db2.gz GRPGBQGEYVAQSB-CQSZACIVSA-N 1 2 256.390 2.490 10 30 CEEELO Cc1[nH]c(C(=O)NC[C@H]2Cc3ccccc3N(C)C2)c[nH+]1 ZINC000329967751 228001340 /nfs/dbraw/zinc/00/13/40/228001340.db2.gz SRVAROCEOYSXQD-GFCCVEGCSA-N 1 2 284.363 2.331 10 30 CEEELO C[C@H]1COC[C@H](C)[NH+]1Cc1cn2ccccc2c1C#N ZINC000077369427 278461738 /nfs/dbraw/zinc/46/17/38/278461738.db2.gz WDBPUQJPDDBHTM-STQMWFEESA-N 1 2 269.348 2.420 10 30 CEEELO CCN[C@H](C#N)CCn1c2ccccc2[nH+]c1CC ZINC000062807887 520162441 /nfs/dbraw/zinc/16/24/41/520162441.db2.gz OAMHWEDKYGHAPZ-LBPRGKRZSA-N 1 2 256.353 2.490 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCN(CC(F)(F)F)C1CC1 ZINC000062435835 519982737 /nfs/dbraw/zinc/98/27/37/519982737.db2.gz XMOKCZNLIOUOGT-SNVBAGLBSA-N 1 2 263.307 2.295 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1c(OC)cccc1OC ZINC000062444618 520060841 /nfs/dbraw/zinc/06/08/41/520060841.db2.gz YBWKMXQZSWCFKC-LBPRGKRZSA-N 1 2 278.352 2.364 10 30 CEEELO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@@H](C)C#N ZINC000050817212 521291746 /nfs/dbraw/zinc/29/17/46/521291746.db2.gz DLEYRYHOMWLOJZ-JTQLQIEISA-N 1 2 262.313 2.159 10 30 CEEELO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@@H](C)C#N ZINC000050817212 521291753 /nfs/dbraw/zinc/29/17/53/521291753.db2.gz DLEYRYHOMWLOJZ-JTQLQIEISA-N 1 2 262.313 2.159 10 30 CEEELO C[N@H+](Cc1cccc(N)c1)Cc1cccnc1C#N ZINC000061659254 523314642 /nfs/dbraw/zinc/31/46/42/523314642.db2.gz KWWPWNHGNXJFNR-UHFFFAOYSA-N 1 2 252.321 2.167 10 30 CEEELO C[N@@H+](Cc1cccc(N)c1)Cc1cccnc1C#N ZINC000061659254 523314648 /nfs/dbraw/zinc/31/46/48/523314648.db2.gz KWWPWNHGNXJFNR-UHFFFAOYSA-N 1 2 252.321 2.167 10 30 CEEELO N#Cc1ncccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000061658876 526789717 /nfs/dbraw/zinc/78/97/17/526789717.db2.gz UCXXLWSXUKSUFA-UHFFFAOYSA-N 1 2 268.276 2.151 10 30 CEEELO C=CCC1COC2(CCC(C#N)([NH+](C)C)CC2)OC1 ZINC000080692426 344020960 /nfs/dbraw/zinc/02/09/60/344020960.db2.gz SRBGYTHFVKWCBD-UHFFFAOYSA-N 1 2 264.369 2.320 10 30 CEEELO C=C(Br)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000306492997 344713789 /nfs/dbraw/zinc/71/37/89/344713789.db2.gz YIOPUXQMJVDUKU-IUCAKERBSA-N 1 2 256.147 2.387 10 30 CEEELO CC(C)/[NH+]=C(/NN)c1cscc1Br ZINC000404775892 344881944 /nfs/dbraw/zinc/88/19/44/344881944.db2.gz AGKVEPCTLUQZRN-UHFFFAOYSA-N 1 2 262.176 2.129 10 30 CEEELO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccc(C#N)cc2)C1 ZINC000616631695 348541019 /nfs/dbraw/zinc/54/10/19/348541019.db2.gz FCVWYQQBTNHJLD-AWEZNQCLSA-N 1 2 287.363 2.440 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCCSC[C@@H](C)CO ZINC000091258240 180115468 /nfs/dbraw/zinc/11/54/68/180115468.db2.gz JWFUCAZKORNAPR-QWHCGFSZSA-N 1 2 258.431 2.408 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1csc(-c2ccsc2)n1 ZINC000091748453 180245080 /nfs/dbraw/zinc/24/50/80/180245080.db2.gz ALVGANZROOKDSA-LBPRGKRZSA-N 1 2 290.417 2.169 10 30 CEEELO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000105904329 186087761 /nfs/dbraw/zinc/08/77/61/186087761.db2.gz YVCRIYDCQURLHT-LSDHHAIUSA-N 1 2 271.368 2.272 10 30 CEEELO Cc1cnn([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000105904329 186087763 /nfs/dbraw/zinc/08/77/63/186087763.db2.gz YVCRIYDCQURLHT-LSDHHAIUSA-N 1 2 271.368 2.272 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2ccc(F)cc2Cl)no1 ZINC000092481462 180394782 /nfs/dbraw/zinc/39/47/82/180394782.db2.gz PZPDURYMJGYGNB-UHFFFAOYSA-N 1 2 265.675 2.252 10 30 CEEELO C#CC[NH2+]Cc1nc([C@@H]2CCc3ccccc3C2)no1 ZINC000092481622 180394868 /nfs/dbraw/zinc/39/48/68/180394868.db2.gz QZIMNUREUZREBL-CQSZACIVSA-N 1 2 267.332 2.065 10 30 CEEELO N#Cc1cc(N2CCn3cc[nH+]c3C2)nc2ccccc12 ZINC000068796391 283108350 /nfs/dbraw/zinc/10/83/50/283108350.db2.gz DKVIFIWPJDJYIN-UHFFFAOYSA-N 1 2 275.315 2.323 10 30 CEEELO C=C(C)CN(C)c1nc(NC)c(Br)c[nH+]1 ZINC000133854849 366262627 /nfs/dbraw/zinc/26/26/27/366262627.db2.gz IGMVXTNSBMENNF-UHFFFAOYSA-N 1 2 271.162 2.293 10 30 CEEELO CC(C)/[NH+]=C(/NN)c1ccsc1Br ZINC000575483521 366291943 /nfs/dbraw/zinc/29/19/43/366291943.db2.gz PLAUDAGFPYADIN-UHFFFAOYSA-N 1 2 262.176 2.129 10 30 CEEELO COC(=O)C1=C(O)C=C([NH2+]Cc2ccccc2)C[C@@H]1C ZINC000100106373 364539770 /nfs/dbraw/zinc/53/97/70/364539770.db2.gz FYBZDTRKICUAPJ-XHDPSFHLSA-N 1 2 273.332 2.058 10 30 CEEELO C#CCC(C)(C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000185545511 368822417 /nfs/dbraw/zinc/82/24/17/368822417.db2.gz QNCVYHNILLBMJP-UHFFFAOYSA-N 1 2 287.407 2.478 10 30 CEEELO N#Cc1csc(C[NH2+][C@H]2COc3ccccc32)n1 ZINC000352835245 369903342 /nfs/dbraw/zinc/90/33/42/369903342.db2.gz OFTZOQUBQMBSDV-NSHDSACASA-N 1 2 257.318 2.238 10 30 CEEELO CC[NH2+][C@]1(C#N)CC[C@@H](Oc2ccccc2OC)C1 ZINC000093804935 184723844 /nfs/dbraw/zinc/72/38/44/184723844.db2.gz YRPUFOUHHFZOEU-IUODEOHRSA-N 1 2 260.337 2.498 10 30 CEEELO C#CCCCCNc1nc(NC)c(Br)c[nH+]1 ZINC000133301348 394949126 /nfs/dbraw/zinc/94/91/26/394949126.db2.gz MXSAMZQJZONAII-UHFFFAOYSA-N 1 2 283.173 2.496 10 30 CEEELO COCCN1C[N@@H+](C(C)C)CC2=C1CC(C)(C)CC2=O ZINC000022239215 171381444 /nfs/dbraw/zinc/38/14/44/171381444.db2.gz VKXQJDGZDWLHET-UHFFFAOYSA-N 1 2 280.412 2.260 10 30 CEEELO COCCN1C[N@H+](C(C)C)CC2=C1CC(C)(C)CC2=O ZINC000022239215 171381445 /nfs/dbraw/zinc/38/14/45/171381445.db2.gz VKXQJDGZDWLHET-UHFFFAOYSA-N 1 2 280.412 2.260 10 30 CEEELO N#CC1(C(=O)N2CC[NH+](C3CC3)CC2)CCCCCC1 ZINC000044766327 175249492 /nfs/dbraw/zinc/24/94/92/175249492.db2.gz QQWBXMQOVSFFME-UHFFFAOYSA-N 1 2 275.396 2.157 10 30 CEEELO N#C[C@@](N)(C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000045179466 175324180 /nfs/dbraw/zinc/32/41/80/175324180.db2.gz UHZVLPZYCVKLRM-GOSISDBHSA-N 1 2 277.371 2.422 10 30 CEEELO N#C[C@@](N)(C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000045179466 175324182 /nfs/dbraw/zinc/32/41/82/175324182.db2.gz UHZVLPZYCVKLRM-GOSISDBHSA-N 1 2 277.371 2.422 10 30 CEEELO CCCO[C@@H]1CCC[N@H+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045183271 175325609 /nfs/dbraw/zinc/32/56/09/175325609.db2.gz SSNARZQCOPMQDG-SJORKVTESA-N 1 2 287.407 2.255 10 30 CEEELO CCCO[C@@H]1CCC[N@@H+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045183271 175325612 /nfs/dbraw/zinc/32/56/12/175325612.db2.gz SSNARZQCOPMQDG-SJORKVTESA-N 1 2 287.407 2.255 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCSc1cnn(C)c1 ZINC000045220904 175330034 /nfs/dbraw/zinc/33/00/34/175330034.db2.gz PACBXELIYIMUHQ-LBPRGKRZSA-N 1 2 252.387 2.183 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCSc1ncccn1 ZINC000045219565 175330396 /nfs/dbraw/zinc/33/03/96/175330396.db2.gz FSJUEUOCHJGSEI-GFCCVEGCSA-N 1 2 250.371 2.241 10 30 CEEELO C=CCN(CC=C)C(=O)Cc1cn2ccc(C)cc2[nH+]1 ZINC000071552404 176196585 /nfs/dbraw/zinc/19/65/85/176196585.db2.gz LIBUAIHRLMSHBH-UHFFFAOYSA-N 1 2 269.348 2.386 10 30 CEEELO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186682035 270251556 /nfs/dbraw/zinc/25/15/56/270251556.db2.gz IYINNFPJNGJVAE-OAHLLOKOSA-N 1 2 291.782 2.312 10 30 CEEELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186682035 270251558 /nfs/dbraw/zinc/25/15/58/270251558.db2.gz IYINNFPJNGJVAE-OAHLLOKOSA-N 1 2 291.782 2.312 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1cccc([N+](=O)[O-])c1 ZINC000062448404 520062352 /nfs/dbraw/zinc/06/23/52/520062352.db2.gz RNJYTCCPJOFTFW-NSHDSACASA-N 1 2 263.297 2.255 10 30 CEEELO CC[NH2+][C@](C#N)(Cn1cnc2ccccc21)C1CC1 ZINC000069084268 520224555 /nfs/dbraw/zinc/22/45/55/520224555.db2.gz JJPIVXACKQCIAP-OAHLLOKOSA-N 1 2 254.337 2.318 10 30 CEEELO C[NH2+][C@](C)(C#N)CCn1cc(-c2ccccc2)cn1 ZINC000054961822 522512019 /nfs/dbraw/zinc/51/20/19/522512019.db2.gz XSIUQVAYIKQZQM-HNNXBMFYSA-N 1 2 254.337 2.442 10 30 CEEELO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CCO)cc1F ZINC000049614700 523344233 /nfs/dbraw/zinc/34/42/33/523344233.db2.gz NRDJUNMEUOAFHY-BBRMVZONSA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#CCO)cc1F ZINC000049614700 523344241 /nfs/dbraw/zinc/34/42/41/523344241.db2.gz NRDJUNMEUOAFHY-BBRMVZONSA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C#CCCO)CCO1 ZINC000049618439 523453585 /nfs/dbraw/zinc/45/35/85/523453585.db2.gz NMWKOTGXIVFUBO-QGZVFWFLSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#CCCO)CCO1 ZINC000049618439 523453592 /nfs/dbraw/zinc/45/35/92/523453592.db2.gz NMWKOTGXIVFUBO-QGZVFWFLSA-N 1 2 291.366 2.170 10 30 CEEELO N#C[C@@H]([NH3+])CCOc1c(F)c(F)c(F)c(F)c1F ZINC000062448088 526495384 /nfs/dbraw/zinc/49/53/84/526495384.db2.gz DSIWMHZCWSXQNH-BYPYZUCNSA-N 1 2 266.169 2.002 10 30 CEEELO Cc1[nH+]cn(-c2cccc(Cl)c2/C(N)=N/O)c1C ZINC000052906565 527461676 /nfs/dbraw/zinc/46/16/76/527461676.db2.gz PXIYRHJUBJWGGA-UHFFFAOYSA-N 1 2 264.716 2.237 10 30 CEEELO CCCCCCCCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104797471 640067883 /nfs/dbraw/zinc/06/78/83/640067883.db2.gz ABXAIXQSQBGVLT-OAHLLOKOSA-N 1 2 299.459 2.367 10 30 CEEELO CCCCCCCCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104797471 640067889 /nfs/dbraw/zinc/06/78/89/640067889.db2.gz ABXAIXQSQBGVLT-OAHLLOKOSA-N 1 2 299.459 2.367 10 30 CEEELO O=CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000043803388 343467296 /nfs/dbraw/zinc/46/72/96/343467296.db2.gz BMZPVCINEPYQHN-UHFFFAOYSA-N 1 2 272.270 2.026 10 30 CEEELO C#CC[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000141744274 344401519 /nfs/dbraw/zinc/40/15/19/344401519.db2.gz QKRDAIRQHLHOQT-UHFFFAOYSA-N 1 2 258.365 2.229 10 30 CEEELO C=C(Br)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000306492998 344713775 /nfs/dbraw/zinc/71/37/75/344713775.db2.gz YIOPUXQMJVDUKU-RKDXNWHRSA-N 1 2 256.147 2.387 10 30 CEEELO C[NH2+][C@]1(C#N)CCC[C@@H](Sc2nncs2)C1 ZINC000086604337 179311059 /nfs/dbraw/zinc/31/10/59/179311059.db2.gz OBKXGQXAJISHRK-PSASIEDQSA-N 1 2 254.384 2.055 10 30 CEEELO CC(C)[NH2+][C@@](C#N)(CSC[C@H](C)CO)C1CC1 ZINC000091258221 180115382 /nfs/dbraw/zinc/11/53/82/180115382.db2.gz YRGGYRBMCHWQKT-YPMHNXCESA-N 1 2 256.415 2.018 10 30 CEEELO CCC[NH2+][C@](C)(C#N)C[C@@H](C)SC[C@@H](C)CO ZINC000091258277 180115578 /nfs/dbraw/zinc/11/55/78/180115578.db2.gz CQJIPGVGLGVPMF-XQQFMLRXSA-N 1 2 258.431 2.408 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCCSC[C@H](C)CO ZINC000091258270 180115581 /nfs/dbraw/zinc/11/55/81/180115581.db2.gz FYDUXFDHMHXKSD-OLZOCXBDSA-N 1 2 258.431 2.410 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2ccc(Br)cc2)no1 ZINC000092481331 180394836 /nfs/dbraw/zinc/39/48/36/180394836.db2.gz GSVDANVQAUVVSI-UHFFFAOYSA-N 1 2 292.136 2.222 10 30 CEEELO CCC[C@@H](C#N)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000109456529 186254113 /nfs/dbraw/zinc/25/41/13/186254113.db2.gz JJIRBSFUJRDZGT-KRWDZBQOSA-N 1 2 282.391 2.368 10 30 CEEELO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000177593091 189058906 /nfs/dbraw/zinc/05/89/06/189058906.db2.gz CSMASFQSEOIEKE-GFCCVEGCSA-N 1 2 273.365 2.144 10 30 CEEELO Cc1cc(N(C)C[C@H]2CCC[C@@H]2O)c(C#N)c(C)[nH+]1 ZINC000301820058 201216837 /nfs/dbraw/zinc/21/68/37/201216837.db2.gz GECFESHFXPDNFE-DOMZBBRYSA-N 1 2 259.353 2.167 10 30 CEEELO COC(=O)[C@@]12CCC[C@H]1CN(c1cc(C)[nH+]c(C)c1C#N)C2 ZINC000302172824 201381948 /nfs/dbraw/zinc/38/19/48/201381948.db2.gz MIXQQRBNQHECNX-SUMWQHHRSA-N 1 2 299.374 2.350 10 30 CEEELO COC(=O)C1=C(O)C=C([NH2+]Cc2ccccc2)C[C@H]1C ZINC000100106379 364539860 /nfs/dbraw/zinc/53/98/60/364539860.db2.gz FYBZDTRKICUAPJ-ABAIWWIYSA-N 1 2 273.332 2.058 10 30 CEEELO C=CCO[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302192027 379329523 /nfs/dbraw/zinc/32/95/23/379329523.db2.gz VXSOIQTTZXPOHO-ZDUSSCGKSA-N 1 2 274.368 2.080 10 30 CEEELO C=CCO[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302192027 379329532 /nfs/dbraw/zinc/32/95/32/379329532.db2.gz VXSOIQTTZXPOHO-ZDUSSCGKSA-N 1 2 274.368 2.080 10 30 CEEELO Cc1cc(N2CCC[C@@H]([C@@H](C)O)C2)c(C#N)c(C)[nH+]1 ZINC000301772072 379301972 /nfs/dbraw/zinc/30/19/72/379301972.db2.gz JWFKNNZCDGBZOL-CHWSQXEVSA-N 1 2 259.353 2.167 10 30 CEEELO C=CCOc1cccc(C(=O)ONC(=[NH2+])c2cccnc2)c1 ZINC000020161152 394470873 /nfs/dbraw/zinc/47/08/73/394470873.db2.gz GRKDRNJUAJGHEL-UHFFFAOYSA-N 1 2 297.314 2.124 10 30 CEEELO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nnc2n1CCCC2 ZINC000176978735 165180452 /nfs/dbraw/zinc/18/04/52/165180452.db2.gz LEXUMCLAPKSOAY-JTQLQIEISA-N 1 2 287.392 2.398 10 30 CEEELO N/C(CCCSc1ccc([N+](=O)[O-])cc1)=[NH+]\O ZINC000035286562 172104350 /nfs/dbraw/zinc/10/43/50/172104350.db2.gz PHKDUXMGMAGUJS-UHFFFAOYSA-N 1 2 255.299 2.214 10 30 CEEELO C=CCNc1nc[nH+]c(Nc2ccc3c(c2)OCCO3)c1N ZINC000040708954 174380292 /nfs/dbraw/zinc/38/02/92/174380292.db2.gz PGHDISHWQMIQGT-UHFFFAOYSA-N 1 2 299.334 2.172 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2ccc3c(c2)OCCO3)c1N ZINC000040708954 174380294 /nfs/dbraw/zinc/38/02/94/174380294.db2.gz PGHDISHWQMIQGT-UHFFFAOYSA-N 1 2 299.334 2.172 10 30 CEEELO C[C@@H](C#N)C[N@H+](C)Cc1sccc1C#CCCO ZINC000043679972 175090401 /nfs/dbraw/zinc/09/04/01/175090401.db2.gz SNEAOOSXEFWRRT-LBPRGKRZSA-N 1 2 262.378 2.073 10 30 CEEELO C[C@@H](C#N)C[N@@H+](C)Cc1sccc1C#CCCO ZINC000043679972 175090403 /nfs/dbraw/zinc/09/04/03/175090403.db2.gz SNEAOOSXEFWRRT-LBPRGKRZSA-N 1 2 262.378 2.073 10 30 CEEELO CN[C@](C#N)(C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000045178803 175324362 /nfs/dbraw/zinc/32/43/62/175324362.db2.gz LTOGLKRRGCZCKA-MRXNPFEDSA-N 1 2 257.381 2.357 10 30 CEEELO CCC[N@H+](C[C@@](C#N)(NC)c1ccccc1)C1CC1 ZINC000045180609 175325106 /nfs/dbraw/zinc/32/51/06/175325106.db2.gz RYOSASUVUSYXQZ-MRXNPFEDSA-N 1 2 257.381 2.499 10 30 CEEELO CCC[N@@H+](C[C@@](C#N)(NC)c1ccccc1)C1CC1 ZINC000045180609 175325108 /nfs/dbraw/zinc/32/51/08/175325108.db2.gz RYOSASUVUSYXQZ-MRXNPFEDSA-N 1 2 257.381 2.499 10 30 CEEELO CCC1CC[NH+](C[C@](N)(C#N)c2ccccc2)CC1 ZINC000045183215 175325813 /nfs/dbraw/zinc/32/58/13/175325813.db2.gz HJAPSLSITZKWII-MRXNPFEDSA-N 1 2 257.381 2.486 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCOc1ccc(CO)cc1 ZINC000045215107 175329690 /nfs/dbraw/zinc/32/96/90/175329690.db2.gz UTUREQKWMPKGIQ-HNNXBMFYSA-N 1 2 262.353 2.230 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCn1cc(Br)cn1 ZINC000045322396 175359611 /nfs/dbraw/zinc/35/96/11/175359611.db2.gz DDKCAFPRRSLOJM-NSHDSACASA-N 1 2 285.189 2.318 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1ccc(C#N)cc1[N+](=O)[O-] ZINC000045332433 175360986 /nfs/dbraw/zinc/36/09/86/175360986.db2.gz YKXSKTGKEBZWBE-AWEZNQCLSA-N 1 2 288.307 2.127 10 30 CEEELO CC[NH+](CC)CCN1C(=O)c2ccc(F)cc2[C@H]1C#N ZINC000071678386 176242746 /nfs/dbraw/zinc/24/27/46/176242746.db2.gz POOYRQOIHYMLQC-CQSZACIVSA-N 1 2 275.327 2.188 10 30 CEEELO Cc1ccc2c(c1)[C@H](C#N)N(CCCn1cc[nH+]c1)C2=O ZINC000071678078 176243191 /nfs/dbraw/zinc/24/31/91/176243191.db2.gz XXRIKSUGHRMAKE-HNNXBMFYSA-N 1 2 280.331 2.302 10 30 CEEELO C[C@]1(C(=O)NCc2cn3c([nH+]2)CCCC3)CCCNC1=O ZINC000330327838 228147851 /nfs/dbraw/zinc/14/78/51/228147851.db2.gz VRPKVMCLXSGEJN-HNNXBMFYSA-N 1 2 290.367 2.433 10 30 CEEELO C[NH2+][C@@](C)(C#N)C[C@@H](C)Sc1nnc2n1CCCCC2 ZINC000068624910 522405812 /nfs/dbraw/zinc/40/58/12/522405812.db2.gz KBHCZUPKDCULLE-BXUZGUMPSA-N 1 2 293.440 2.377 10 30 CEEELO CC[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C#CCCO)c1 ZINC000049613352 523498012 /nfs/dbraw/zinc/49/80/12/523498012.db2.gz ONLVHYAJNPVUMF-MRXNPFEDSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C#CCCO)c1 ZINC000049613352 523498019 /nfs/dbraw/zinc/49/80/19/523498019.db2.gz ONLVHYAJNPVUMF-MRXNPFEDSA-N 1 2 291.366 2.170 10 30 CEEELO Cn1ncc(Br)c1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000597195374 346145988 /nfs/dbraw/zinc/14/59/88/346145988.db2.gz HESGOJHFOJNUQD-ONGXEEELSA-N 1 2 297.200 2.355 10 30 CEEELO COc1ccc(OC)c(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000061891487 362697145 /nfs/dbraw/zinc/69/71/45/362697145.db2.gz PMEDTCKTMCHQOV-FZMZJTMJSA-N 1 2 260.337 2.486 10 30 CEEELO N#CC1(c2ccccc2)CC([NH2+]Cc2ccn[nH]2)C1 ZINC000086037466 179221304 /nfs/dbraw/zinc/22/13/04/179221304.db2.gz VYGYAZFHXOUQMP-UHFFFAOYSA-N 1 2 252.321 2.123 10 30 CEEELO C[C@H](CO)CSCCC[C@](C)(C#N)[NH2+]C1CC1 ZINC000091258313 180115572 /nfs/dbraw/zinc/11/55/72/180115572.db2.gz WUGIUBOBNMXHOI-DGCLKSJQSA-N 1 2 256.415 2.162 10 30 CEEELO CCn1c[nH+]cc1[C@@H](O)[C@@]1(C#N)CCOc2ccccc21 ZINC000091904358 180283125 /nfs/dbraw/zinc/28/31/25/180283125.db2.gz ZRIDNZQKIBALNK-HZPDHXFCSA-N 1 2 283.331 2.180 10 30 CEEELO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105899337 186086779 /nfs/dbraw/zinc/08/67/79/186086779.db2.gz XDIWINCKQBSEMA-HNNXBMFYSA-N 1 2 285.326 2.126 10 30 CEEELO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105899337 186086781 /nfs/dbraw/zinc/08/67/81/186086781.db2.gz XDIWINCKQBSEMA-HNNXBMFYSA-N 1 2 285.326 2.126 10 30 CEEELO Cc1nnc(SCCC[C@](C)(C#N)[NH2+]C(C)C)n1C ZINC000110028231 186281727 /nfs/dbraw/zinc/28/17/27/186281727.db2.gz BXTVYQKAXMKORW-CYBMUJFWSA-N 1 2 281.429 2.276 10 30 CEEELO C=CC[N@@H+](CCOCCC(C)C)CC(=O)OCC ZINC000110072060 186284088 /nfs/dbraw/zinc/28/40/88/186284088.db2.gz QHANNVDYSFQEIQ-UHFFFAOYSA-N 1 2 257.374 2.100 10 30 CEEELO C=CC[N@H+](CCOCCC(C)C)CC(=O)OCC ZINC000110072060 186284090 /nfs/dbraw/zinc/28/40/90/186284090.db2.gz QHANNVDYSFQEIQ-UHFFFAOYSA-N 1 2 257.374 2.100 10 30 CEEELO Cc1cc(NCCOCC(F)F)c(C#N)c(C)[nH+]1 ZINC000231677861 370486569 /nfs/dbraw/zinc/48/65/69/370486569.db2.gz SBCWMWLABNJBCX-UHFFFAOYSA-N 1 2 255.268 2.264 10 30 CEEELO CC[NH2+][C@]1(C#N)CCC[C@H](Sc2nncs2)C1 ZINC000093747014 184712249 /nfs/dbraw/zinc/71/22/49/184712249.db2.gz OGXCKWNAJGCWIO-GXSJLCMTSA-N 1 2 268.411 2.445 10 30 CEEELO C[NH2+][C@]1(C#N)CC[C@@H](Sc2nnc3n2CCCCC3)C1 ZINC000093806331 184724332 /nfs/dbraw/zinc/72/43/32/184724332.db2.gz ALDOJTYAZBLRKR-BXUZGUMPSA-N 1 2 291.424 2.131 10 30 CEEELO C=CCNC(=O)Cn1c(CCC)[nH+]c2ccccc21 ZINC000040295760 174223578 /nfs/dbraw/zinc/22/35/78/174223578.db2.gz XLYKMLOAFIDESN-UHFFFAOYSA-N 1 2 257.337 2.291 10 30 CEEELO C=CCNc1[nH+]cnc(N(C)c2ccccc2)c1N ZINC000040708923 174379943 /nfs/dbraw/zinc/37/99/43/174379943.db2.gz LQERWOPAVWRHCD-UHFFFAOYSA-N 1 2 255.325 2.425 10 30 CEEELO C=CCNc1nc[nH+]c(N(C)c2ccccc2)c1N ZINC000040708923 174379945 /nfs/dbraw/zinc/37/99/45/174379945.db2.gz LQERWOPAVWRHCD-UHFFFAOYSA-N 1 2 255.325 2.425 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCN(CC(F)(F)F)C1CC1 ZINC000045313718 175357570 /nfs/dbraw/zinc/35/75/70/175357570.db2.gz GNNIAAFCRYYVPM-NSHDSACASA-N 1 2 263.307 2.295 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000045331699 175360116 /nfs/dbraw/zinc/36/01/16/175360116.db2.gz ZLLKIPUBNTUAOY-CYBMUJFWSA-N 1 2 263.297 2.255 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCCOC1CCOCC1 ZINC000045332104 175360230 /nfs/dbraw/zinc/36/02/30/175360230.db2.gz ZVZUTYOJLJHVOD-AWEZNQCLSA-N 1 2 254.374 2.244 10 30 CEEELO CCCCCCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750851 329138521 /nfs/dbraw/zinc/13/85/21/329138521.db2.gz UUICQPOWJMOGHU-OAHLLOKOSA-N 1 2 282.428 2.280 10 30 CEEELO CC[NH2+][C@](C#N)(CN(CC(F)(F)F)C1CC1)C1CC1 ZINC000069079151 520223536 /nfs/dbraw/zinc/22/35/36/520223536.db2.gz QONTVHCPVGNHJZ-GFCCVEGCSA-N 1 2 275.318 2.295 10 30 CEEELO C#CC[NH2+][C@@]1(C(=O)OCC)C[C@H](C)CC(C)(C)C1 ZINC000051965284 518291354 /nfs/dbraw/zinc/29/13/54/518291354.db2.gz ACHFRPPXVAECNP-DOMZBBRYSA-N 1 2 251.370 2.357 10 30 CEEELO CCc1[nH+]c2ccccc2n1C[C@@H](C#N)NC1CC1 ZINC000062807931 522504724 /nfs/dbraw/zinc/50/47/24/522504724.db2.gz NSNRENOFSPTPFR-GFCCVEGCSA-N 1 2 254.337 2.243 10 30 CEEELO CNc1c(C#N)c[nH+]c2cc(OC)c(OC)c(OC)c21 ZINC000050842712 522533719 /nfs/dbraw/zinc/53/37/19/522533719.db2.gz ZBPCCCHSKQLOCK-UHFFFAOYSA-N 1 2 273.292 2.174 10 30 CEEELO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#CCO)cc1F ZINC000049614696 523351638 /nfs/dbraw/zinc/35/16/38/523351638.db2.gz NRDJUNMEUOAFHY-CJNGLKHVSA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#CCO)cc1F ZINC000049614696 523351648 /nfs/dbraw/zinc/35/16/48/523351648.db2.gz NRDJUNMEUOAFHY-CJNGLKHVSA-N 1 2 291.366 2.169 10 30 CEEELO C[C@H]1C[NH+](Cc2ccc(F)c(C#CCCO)c2)C[C@H](C)O1 ZINC000049615981 524617010 /nfs/dbraw/zinc/61/70/10/524617010.db2.gz IDTMOZHRFWOZQO-KBPBESRZSA-N 1 2 291.366 2.169 10 30 CEEELO N#CC[C@@H](c1ccccc1)[N@@H+](CC(N)=O)C1CCCC1 ZINC000055020540 526480363 /nfs/dbraw/zinc/48/03/63/526480363.db2.gz XECFRCXMKLZTEY-HNNXBMFYSA-N 1 2 271.364 2.371 10 30 CEEELO N#CC[C@@H](c1ccccc1)[N@H+](CC(N)=O)C1CCCC1 ZINC000055020540 526480367 /nfs/dbraw/zinc/48/03/67/526480367.db2.gz XECFRCXMKLZTEY-HNNXBMFYSA-N 1 2 271.364 2.371 10 30 CEEELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(c2ccc(C#N)nc2)C1 ZINC000888102870 628870856 /nfs/dbraw/zinc/87/08/56/628870856.db2.gz RVJDNGAOBLWZJH-CABCVRRESA-N 1 2 297.362 2.260 10 30 CEEELO N#C[C@]1([NH3+])CCc2cc(Br)ccc2C1 ZINC000082491575 178058826 /nfs/dbraw/zinc/05/88/26/178058826.db2.gz PRCHTXIEIQJWNZ-NSHDSACASA-N 1 2 251.127 2.159 10 30 CEEELO Cc1cc(NCCCC(=O)NC2CC2)c(C#N)c(C)[nH+]1 ZINC000126262348 187227987 /nfs/dbraw/zinc/22/79/87/187227987.db2.gz OVVAZDXBHAHJQE-UHFFFAOYSA-N 1 2 272.352 2.041 10 30 CEEELO CC[NH2+][C@@](C)(C#N)C[C@H](C)Sc1ncccn1 ZINC000084310359 178854545 /nfs/dbraw/zinc/85/45/45/178854545.db2.gz DIOPSOCVGZSIFA-CMPLNLGQSA-N 1 2 250.371 2.239 10 30 CEEELO C[NH2+][C@@]1(C#N)CCC[C@@H](Sc2nncs2)C1 ZINC000086604338 179311034 /nfs/dbraw/zinc/31/10/34/179311034.db2.gz OBKXGQXAJISHRK-SCZZXKLOSA-N 1 2 254.384 2.055 10 30 CEEELO C[NH2+][C@]1(C#N)CCC[C@H](Sc2nncs2)C1 ZINC000086604335 179311148 /nfs/dbraw/zinc/31/11/48/179311148.db2.gz OBKXGQXAJISHRK-WCBMZHEXSA-N 1 2 254.384 2.055 10 30 CEEELO Cc1nc(SC[C@@]([NH3+])(C#N)C2CC2)nc(C)c1C ZINC000086644562 179315765 /nfs/dbraw/zinc/31/57/65/179315765.db2.gz VINXCLLFKLQGIF-ZDUSSCGKSA-N 1 2 262.382 2.125 10 30 CEEELO C[C@@H](CO)CSCCC[C@](C)(C#N)[NH2+]C1CC1 ZINC000091258312 180115259 /nfs/dbraw/zinc/11/52/59/180115259.db2.gz WUGIUBOBNMXHOI-WCQYABFASA-N 1 2 256.415 2.162 10 30 CEEELO C=CCCCOc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000091841316 180269243 /nfs/dbraw/zinc/26/92/43/180269243.db2.gz IDPAZSWFOWSOPB-UHFFFAOYSA-N 1 2 265.704 2.056 10 30 CEEELO C#CC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105868891 186080193 /nfs/dbraw/zinc/08/01/93/186080193.db2.gz UJZFAYFIYBXFCQ-UHFFFAOYSA-N 1 2 281.359 2.092 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2ccccc2Br)no1 ZINC000092481384 180395182 /nfs/dbraw/zinc/39/51/82/180395182.db2.gz LFJJTGHLTOCYRS-UHFFFAOYSA-N 1 2 292.136 2.222 10 30 CEEELO CC[C@H](C#N)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000109454850 186253707 /nfs/dbraw/zinc/25/37/07/186253707.db2.gz JEBAKNCFTLVFBX-CQSZACIVSA-N 1 2 288.351 2.015 10 30 CEEELO CCCOCCOCCC[C@](C)(C#N)[NH2+]C1CC1 ZINC000111110237 186353538 /nfs/dbraw/zinc/35/35/38/186353538.db2.gz VASHZRHNMQGJCS-CQSZACIVSA-N 1 2 254.374 2.244 10 30 CEEELO COc1c(C[N@H+](C)Cc2ccc(C#N)cc2)c(C)nn1C ZINC000131187710 366028710 /nfs/dbraw/zinc/02/87/10/366028710.db2.gz KYWPJOMMKYXGNB-UHFFFAOYSA-N 1 2 284.363 2.241 10 30 CEEELO COc1c(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)nn1C ZINC000131187710 366028716 /nfs/dbraw/zinc/02/87/16/366028716.db2.gz KYWPJOMMKYXGNB-UHFFFAOYSA-N 1 2 284.363 2.241 10 30 CEEELO C=C[C@H](C)Nc1nc(NC)c(Br)c[nH+]1 ZINC000133276259 366210721 /nfs/dbraw/zinc/21/07/21/366210721.db2.gz BNSZBESGRBPWIO-LURJTMIESA-N 1 2 257.135 2.267 10 30 CEEELO CC#CC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160079033 366971328 /nfs/dbraw/zinc/97/13/28/366971328.db2.gz SHFCWFUTHQLTNC-CYBMUJFWSA-N 1 2 258.369 2.165 10 30 CEEELO CC#CC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160079033 366971330 /nfs/dbraw/zinc/97/13/30/366971330.db2.gz SHFCWFUTHQLTNC-CYBMUJFWSA-N 1 2 258.369 2.165 10 30 CEEELO Cc1cnc(C[NH2+]C[C@H](C#N)c2ccccc2)cn1 ZINC000080785737 177706598 /nfs/dbraw/zinc/70/65/98/177706598.db2.gz LERMHNBSQVLYPV-AWEZNQCLSA-N 1 2 252.321 2.182 10 30 CEEELO CS[C@@H](CO)[C@H](C)Nc1cc(C)[nH+]c(C)c1C#N ZINC000219764587 394461375 /nfs/dbraw/zinc/46/13/75/394461375.db2.gz FZNIREZYTZHWLU-GWCFXTLKSA-N 1 2 265.382 2.094 10 30 CEEELO Cc1cc(N2CC[C@@]3(CCOC3)C2)c(C#N)c(C)[nH+]1 ZINC000301753849 394464307 /nfs/dbraw/zinc/46/43/07/394464307.db2.gz CFCDBQGJYQIFNJ-OAHLLOKOSA-N 1 2 257.337 2.187 10 30 CEEELO C[N@H+](CC(=O)Nc1ccccc1C#N)Cc1cccnc1 ZINC000035141564 172009020 /nfs/dbraw/zinc/00/90/20/172009020.db2.gz TVOVXFDDXLMOJQ-UHFFFAOYSA-N 1 2 280.331 2.024 10 30 CEEELO C[N@@H+](CC(=O)Nc1ccccc1C#N)Cc1cccnc1 ZINC000035141564 172009021 /nfs/dbraw/zinc/00/90/21/172009021.db2.gz TVOVXFDDXLMOJQ-UHFFFAOYSA-N 1 2 280.331 2.024 10 30 CEEELO C=CCNc1nc[nH+]c(Nc2ccc(NC(C)=O)cc2)c1N ZINC000040709111 174380616 /nfs/dbraw/zinc/38/06/16/174380616.db2.gz QNJFMYOYBUFGEW-UHFFFAOYSA-N 1 2 298.350 2.359 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2ccc(NC(C)=O)cc2)c1N ZINC000040709111 174380618 /nfs/dbraw/zinc/38/06/18/174380618.db2.gz QNJFMYOYBUFGEW-UHFFFAOYSA-N 1 2 298.350 2.359 10 30 CEEELO N#Cc1cc(N)ccc1NCCCCn1cc[nH+]c1 ZINC000045105754 175307779 /nfs/dbraw/zinc/30/77/79/175307779.db2.gz QULDVBHJISDLMZ-UHFFFAOYSA-N 1 2 255.325 2.229 10 30 CEEELO CCC[N@H+](C)C[C@@](C#N)(NC1CC1)c1ccccc1 ZINC000045179981 175324425 /nfs/dbraw/zinc/32/44/25/175324425.db2.gz OTLPVIJOVNVPLE-MRXNPFEDSA-N 1 2 257.381 2.499 10 30 CEEELO CCC[N@@H+](C)C[C@@](C#N)(NC1CC1)c1ccccc1 ZINC000045179981 175324426 /nfs/dbraw/zinc/32/44/26/175324426.db2.gz OTLPVIJOVNVPLE-MRXNPFEDSA-N 1 2 257.381 2.499 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCCN(C)CC(F)(F)F ZINC000045312579 175357379 /nfs/dbraw/zinc/35/73/79/175357379.db2.gz RAEKZFRLTKOZMK-SNVBAGLBSA-N 1 2 251.296 2.152 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1ccc2c(c1)OCO2 ZINC000045326335 175359526 /nfs/dbraw/zinc/35/95/26/175359526.db2.gz UPMBMXOWKFOXAA-CQSZACIVSA-N 1 2 262.309 2.076 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCCn1cc(Br)cn1 ZINC000045322318 175359696 /nfs/dbraw/zinc/35/96/96/175359696.db2.gz DMCUPNUHDPURHS-LLVKDONJSA-N 1 2 285.189 2.318 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCCOCCOC(C)C ZINC000045326247 175359810 /nfs/dbraw/zinc/35/98/10/175359810.db2.gz PLRAUWFBIBQEPI-AWEZNQCLSA-N 1 2 256.390 2.488 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000045332389 175360913 /nfs/dbraw/zinc/36/09/13/175360913.db2.gz MRMUPDQTKAINCQ-CYBMUJFWSA-N 1 2 281.287 2.395 10 30 CEEELO CCCC(C#N)(CCC)C(=O)NCc1[nH+]ccn1C ZINC000071276179 176106846 /nfs/dbraw/zinc/10/68/46/176106846.db2.gz PBNSDSXBPOXGKD-UHFFFAOYSA-N 1 2 262.357 2.146 10 30 CEEELO CO[C@@H]1CN(c2cc(C)[nH+]c(C)c2C#N)CC[C@H]1C ZINC000299922083 277300103 /nfs/dbraw/zinc/30/01/03/277300103.db2.gz RKHTWBFSXSXZJO-MEBBXXQBSA-N 1 2 259.353 2.431 10 30 CEEELO CC(C)[C@H]1CCO[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329421063 280390301 /nfs/dbraw/zinc/39/03/01/280390301.db2.gz HAKZJEKEWJAYBJ-ZIAGYGMSSA-N 1 2 298.427 2.115 10 30 CEEELO CC(C)[C@H]1CCO[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329421063 280390303 /nfs/dbraw/zinc/39/03/03/280390303.db2.gz HAKZJEKEWJAYBJ-ZIAGYGMSSA-N 1 2 298.427 2.115 10 30 CEEELO CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1[nH]cc[nH+]1 ZINC000012348738 280891850 /nfs/dbraw/zinc/89/18/50/280891850.db2.gz AWRYXYUZRMOCHQ-SNVBAGLBSA-N 1 2 299.334 2.039 10 30 CEEELO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000151502276 289060217 /nfs/dbraw/zinc/06/02/17/289060217.db2.gz BISQEQUJWRAEFF-TXEJJXNPSA-N 1 2 260.337 2.176 10 30 CEEELO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000151502276 289060219 /nfs/dbraw/zinc/06/02/19/289060219.db2.gz BISQEQUJWRAEFF-TXEJJXNPSA-N 1 2 260.337 2.176 10 30 CEEELO CC(C)C[N@H+](CC(N)=O)[C@H](CC#N)c1ccccc1 ZINC000055020617 519714489 /nfs/dbraw/zinc/71/44/89/519714489.db2.gz STIDCBXOGLHVCS-CQSZACIVSA-N 1 2 259.353 2.085 10 30 CEEELO CC(C)C[N@@H+](CC(N)=O)[C@H](CC#N)c1ccccc1 ZINC000055020617 519714492 /nfs/dbraw/zinc/71/44/92/519714492.db2.gz STIDCBXOGLHVCS-CQSZACIVSA-N 1 2 259.353 2.085 10 30 CEEELO CCCN[C@@H](C#N)Cn1c2ccccc2[nH+]c1CC ZINC000062807928 519983562 /nfs/dbraw/zinc/98/35/62/519983562.db2.gz RFVNTCINEKDELG-LBPRGKRZSA-N 1 2 256.353 2.490 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCN(C)c1cccc(OC)c1 ZINC000062438217 519982860 /nfs/dbraw/zinc/98/28/60/519982860.db2.gz OMYOGBXERUOCLN-CYBMUJFWSA-N 1 2 261.369 2.413 10 30 CEEELO CC[NH2+][C@H](C#N)CCn1nc(C)c(Br)c1C ZINC000062440911 520161836 /nfs/dbraw/zinc/16/18/36/520161836.db2.gz HACOQQMZZNSTHK-JTQLQIEISA-N 1 2 285.189 2.154 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@@H](C)Sc1ncnc2[nH]cnc21 ZINC000068626096 520225956 /nfs/dbraw/zinc/22/59/56/520225956.db2.gz FVEGEPJEVNTMBB-RNCFNFMXSA-N 1 2 290.396 2.115 10 30 CEEELO CC[N@H+](C[C@@H]1CCCO1)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069079545 521226068 /nfs/dbraw/zinc/22/60/68/521226068.db2.gz SKJOSDYGQDQIFC-HOTGVXAUSA-N 1 2 279.428 2.158 10 30 CEEELO CC[N@@H+](C[C@@H]1CCCO1)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069079545 521226076 /nfs/dbraw/zinc/22/60/76/521226076.db2.gz SKJOSDYGQDQIFC-HOTGVXAUSA-N 1 2 279.428 2.158 10 30 CEEELO CC[C@H]1C[N@H+](Cc2ccc(C#CCCO)cc2F)CCO1 ZINC000049618394 523288974 /nfs/dbraw/zinc/28/89/74/523288974.db2.gz FKYXLJZBLGKPKG-INIZCTEOSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@H]1C[N@@H+](Cc2ccc(C#CCCO)cc2F)CCO1 ZINC000049618394 523288984 /nfs/dbraw/zinc/28/89/84/523288984.db2.gz FKYXLJZBLGKPKG-INIZCTEOSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@@H]1COCC[N@@H+]1Cc1ccc(F)cc1C#CCCO ZINC000049613349 523498672 /nfs/dbraw/zinc/49/86/72/523498672.db2.gz BIHDSGWNQNZQJQ-QGZVFWFLSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@@H]1COCC[N@H+]1Cc1ccc(F)cc1C#CCCO ZINC000049613349 523498676 /nfs/dbraw/zinc/49/86/76/523498676.db2.gz BIHDSGWNQNZQJQ-QGZVFWFLSA-N 1 2 291.366 2.170 10 30 CEEELO Cc1cc(C)c(OCC[C@](C)([NH3+])C#N)c([N+](=O)[O-])c1 ZINC000050442016 524311454 /nfs/dbraw/zinc/31/14/54/524311454.db2.gz ULZIKIWXSXEAHW-ZDUSSCGKSA-N 1 2 263.297 2.222 10 30 CEEELO Cc1cc(C)c(OCC[C@@](C)([NH3+])C#N)c([N+](=O)[O-])c1 ZINC000050442017 524311854 /nfs/dbraw/zinc/31/18/54/524311854.db2.gz ULZIKIWXSXEAHW-CYBMUJFWSA-N 1 2 263.297 2.222 10 30 CEEELO Cc1ccc2c(c1)CCCN2C[C@]([NH3+])(C#N)C1CC1 ZINC000069075812 526144981 /nfs/dbraw/zinc/14/49/81/526144981.db2.gz JRAIVFXPVHDXSL-MRXNPFEDSA-N 1 2 255.365 2.379 10 30 CEEELO N#C[C@@]([NH3+])(Cn1ccnc1-c1ccccc1)C1CC1 ZINC000069084393 526502960 /nfs/dbraw/zinc/50/29/60/526502960.db2.gz ARGSCVLTOCWKNL-OAHLLOKOSA-N 1 2 252.321 2.181 10 30 CEEELO N#Cc1ncccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000061664215 526790183 /nfs/dbraw/zinc/79/01/83/526790183.db2.gz AOZIYOHNDBZGKP-UHFFFAOYSA-N 1 2 278.359 2.275 10 30 CEEELO Cc1cccc(NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000328635989 344757180 /nfs/dbraw/zinc/75/71/80/344757180.db2.gz VGKZDOGIMNDXFL-LBPRGKRZSA-N 1 2 285.351 2.175 10 30 CEEELO Cc1ccc(NC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000328620084 344755659 /nfs/dbraw/zinc/75/56/59/344755659.db2.gz GPXRTSKQAYWDDW-ZDUSSCGKSA-N 1 2 299.378 2.326 10 30 CEEELO Cc1ccncc1NC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000328627362 344756257 /nfs/dbraw/zinc/75/62/57/344756257.db2.gz MSKRSWPMMSTIIM-CYBMUJFWSA-N 1 2 299.378 2.326 10 30 CEEELO CC[NH2+][C@]1(C#N)CC[C@@H](Sc2nncs2)C1 ZINC000086624246 179312423 /nfs/dbraw/zinc/31/24/23/179312423.db2.gz MIFPLZSMTUACTF-PSASIEDQSA-N 1 2 254.384 2.055 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1csc(-c2ccsc2)n1 ZINC000091748454 180245372 /nfs/dbraw/zinc/24/53/72/180245372.db2.gz ALVGANZROOKDSA-GFCCVEGCSA-N 1 2 290.417 2.169 10 30 CEEELO CC(C)(C#N)N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000109459546 186253826 /nfs/dbraw/zinc/25/38/26/186253826.db2.gz WDZROMCDLQEYTF-UHFFFAOYSA-N 1 2 286.354 2.117 10 30 CEEELO Cc1cc(NCCC(=O)OC(C)C)c(C#N)c(C)[nH+]1 ZINC000301759308 201179417 /nfs/dbraw/zinc/17/94/17/201179417.db2.gz FJNADRMYPYNFAK-UHFFFAOYSA-N 1 2 261.325 2.324 10 30 CEEELO C=CCN(CC=C)C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000163970875 541712407 /nfs/dbraw/zinc/71/24/07/541712407.db2.gz AFNOQISWSMCPPJ-GFCCVEGCSA-N 1 2 259.353 2.024 10 30 CEEELO C=CCN(CC=C)C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000163970875 541712409 /nfs/dbraw/zinc/71/24/09/541712409.db2.gz AFNOQISWSMCPPJ-GFCCVEGCSA-N 1 2 259.353 2.024 10 30 CEEELO C#C[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000186081958 368916985 /nfs/dbraw/zinc/91/69/85/368916985.db2.gz KRFQSQQPRBJQAM-STQMWFEESA-N 1 2 282.347 2.254 10 30 CEEELO N#Cc1ccc(-n2cc[nH+]c2-c2ccc(N)cc2)nc1 ZINC000040517007 174307564 /nfs/dbraw/zinc/30/75/64/174307564.db2.gz NPOSEXKMDDWCFT-UHFFFAOYSA-N 1 2 261.288 2.388 10 30 CEEELO CC(C)[N@H+](CCC#N)Cc1cc(C#CCO)cs1 ZINC000043698712 175096842 /nfs/dbraw/zinc/09/68/42/175096842.db2.gz BRKGOYIGIAGKFU-UHFFFAOYSA-N 1 2 262.378 2.216 10 30 CEEELO CC(C)[N@@H+](CCC#N)Cc1cc(C#CCO)cs1 ZINC000043698712 175096843 /nfs/dbraw/zinc/09/68/43/175096843.db2.gz BRKGOYIGIAGKFU-UHFFFAOYSA-N 1 2 262.378 2.216 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCN(CC)CC(F)(F)F ZINC000045181698 175324583 /nfs/dbraw/zinc/32/45/83/175324583.db2.gz YDTUHYWXKPRPDL-JTQLQIEISA-N 1 2 251.296 2.152 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCOc1ccc2c(c1)OCO2 ZINC000045208766 175328882 /nfs/dbraw/zinc/32/88/82/175328882.db2.gz XYICODIMKZTCIJ-HNNXBMFYSA-N 1 2 276.336 2.464 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCSc1cnn(C)c1 ZINC000045220907 175329954 /nfs/dbraw/zinc/32/99/54/175329954.db2.gz PACBXELIYIMUHQ-GFCCVEGCSA-N 1 2 252.387 2.183 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCSc1ncccn1 ZINC000045219562 175330389 /nfs/dbraw/zinc/33/03/89/175330389.db2.gz FSJUEUOCHJGSEI-LBPRGKRZSA-N 1 2 250.371 2.241 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCSc1ncccn1 ZINC000045365596 175362350 /nfs/dbraw/zinc/36/23/50/175362350.db2.gz IHKLXSOTMUPECU-LBPRGKRZSA-N 1 2 250.371 2.241 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCSc1cnn(C)c1 ZINC000045367018 175363292 /nfs/dbraw/zinc/36/32/92/175363292.db2.gz JAKZPRABQUVIOQ-GFCCVEGCSA-N 1 2 252.387 2.184 10 30 CEEELO C=CC[NH2+][C@](C)(Cc1ccc(OC)cc1)C(=O)OCC ZINC000071169783 176050423 /nfs/dbraw/zinc/05/04/23/176050423.db2.gz DLOFIDMCEJXCNK-MRXNPFEDSA-N 1 2 277.364 2.335 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1ccc([N+](=O)[O-])cc1 ZINC000062449223 519984213 /nfs/dbraw/zinc/98/42/13/519984213.db2.gz PLJXUAMGGIJVSA-LLVKDONJSA-N 1 2 263.297 2.255 10 30 CEEELO CN[C@](C#N)(Cn1cc[nH+]c1-c1ccccc1)C1CC1 ZINC000069084381 522512443 /nfs/dbraw/zinc/51/24/43/522512443.db2.gz GTAFNELFPIHDBQ-MRXNPFEDSA-N 1 2 266.348 2.442 10 30 CEEELO COc1cc([N+](=O)[O-])ccc1O[C@@H](C)C[C@@](C)([NH3+])C#N ZINC000068623301 522984500 /nfs/dbraw/zinc/98/45/00/522984500.db2.gz XTJDPCPCVJDRHO-TVQRCGJNSA-N 1 2 279.296 2.002 10 30 CEEELO Cc1cc(C)nc(SCC[C@@H](C#N)[NH2+]C(C)C)n1 ZINC000062458172 524598916 /nfs/dbraw/zinc/59/89/16/524598916.db2.gz UTEFLXBLSOKHTF-LBPRGKRZSA-N 1 2 264.398 2.466 10 30 CEEELO Cc1cc(NCCCn2cc[nH+]c2)c(C#N)c(C)n1 ZINC000157385144 525269869 /nfs/dbraw/zinc/26/98/69/525269869.db2.gz WGLASPAMCUEWMA-UHFFFAOYSA-N 1 2 255.325 2.269 10 30 CEEELO Cc1nnc(SCC[C@](C)(C#N)[NH2+]C(C)C)o1 ZINC000051038750 526384858 /nfs/dbraw/zinc/38/48/58/526384858.db2.gz ZKHAVHLUBRTPPW-LLVKDONJSA-N 1 2 254.359 2.141 10 30 CEEELO N#C[C@H]([NH3+])CSc1cccc(Br)c1 ZINC000055309190 526510167 /nfs/dbraw/zinc/51/01/67/526510167.db2.gz GKMCMVHXCMGOCV-QMMMGPOBSA-N 1 2 257.156 2.392 10 30 CEEELO N#C[C@]([NH3+])(CSc1ncnc2ccccc21)C1CC1 ZINC000069092671 526514448 /nfs/dbraw/zinc/51/44/48/526514448.db2.gz ZMUWJZFJMVXTTA-AWEZNQCLSA-N 1 2 270.361 2.353 10 30 CEEELO CCn1cc([C@@H]2C[N@H+](Cc3cccc(C#N)c3)CCO2)cn1 ZINC000191701817 536091475 /nfs/dbraw/zinc/09/14/75/536091475.db2.gz DONXBXXKFAGHSB-KRWDZBQOSA-N 1 2 296.374 2.348 10 30 CEEELO CCn1cc([C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CCO2)cn1 ZINC000191701817 536091480 /nfs/dbraw/zinc/09/14/80/536091480.db2.gz DONXBXXKFAGHSB-KRWDZBQOSA-N 1 2 296.374 2.348 10 30 CEEELO C[NH2+][C@](C)(C#N)C[C@@H](C)Sc1nnc(C)s1 ZINC000082797171 178301435 /nfs/dbraw/zinc/30/14/35/178301435.db2.gz VXCULKFOUVETGT-XCBNKYQSSA-N 1 2 256.400 2.219 10 30 CEEELO CC1(C)C(c2ccccc2)=[N+](O)[C@]2(CCCCC2=O)N1O ZINC000225399802 344545512 /nfs/dbraw/zinc/54/55/12/344545512.db2.gz IGDWFAJCGGNJAD-MRXNPFEDSA-N 1 2 289.355 2.200 10 30 CEEELO N#Cc1ccc(Br)c([C@H]2CCC[NH2+]2)c1O ZINC000308773724 344728710 /nfs/dbraw/zinc/72/87/10/344728710.db2.gz BWMGGBPZEQVFGJ-SECBINFHSA-N 1 2 267.126 2.451 10 30 CEEELO Cc1cncc(NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000328614844 344755594 /nfs/dbraw/zinc/75/55/94/344755594.db2.gz AMNARFFIJOMWBQ-LBPRGKRZSA-N 1 2 285.351 2.175 10 30 CEEELO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C#N)sn1 ZINC000399128613 344856999 /nfs/dbraw/zinc/85/69/99/344856999.db2.gz NSJMCERVOZNKAI-GXSJLCMTSA-N 1 2 251.355 2.324 10 30 CEEELO N/C(=[NH+]\O)c1ccc(N2CCc3sccc3C2)cc1 ZINC000019865684 136579264 /nfs/dbraw/zinc/57/92/64/136579264.db2.gz CURSLFVLFDFBPG-UHFFFAOYSA-N 1 2 273.361 2.405 10 30 CEEELO COC(=O)c1cc(NCc2ccc(C#N)cc2F)cc[nH+]1 ZINC000090736756 180034478 /nfs/dbraw/zinc/03/44/78/180034478.db2.gz RLYBMJLPOBIYPH-UHFFFAOYSA-N 1 2 285.278 2.491 10 30 CEEELO CSC1(C#N)CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000091475482 180166153 /nfs/dbraw/zinc/16/61/53/180166153.db2.gz HJAANPNRHYORTB-UHFFFAOYSA-N 1 2 295.452 2.156 10 30 CEEELO N#C[C@H]1C[NH2+]CCN1Cc1cccc(C(F)(F)F)c1 ZINC000091749077 180246296 /nfs/dbraw/zinc/24/62/96/180246296.db2.gz UVUKNBOGEBGJRA-LBPRGKRZSA-N 1 2 269.270 2.003 10 30 CEEELO CCn1c[nH+]cc1[C@H](O)[C@@]1(C#N)CCOc2ccccc21 ZINC000091904357 180282962 /nfs/dbraw/zinc/28/29/62/180282962.db2.gz ZRIDNZQKIBALNK-JKSUJKDBSA-N 1 2 283.331 2.180 10 30 CEEELO CN[C@@](C#N)(C[N@@H+]1C[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000092087307 180321469 /nfs/dbraw/zinc/32/14/69/180321469.db2.gz YSRZEABPYPEUOZ-LZWOXQAQSA-N 1 2 257.381 2.213 10 30 CEEELO CN[C@@](C#N)(C[N@H+]1C[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000092087307 180321470 /nfs/dbraw/zinc/32/14/70/180321470.db2.gz YSRZEABPYPEUOZ-LZWOXQAQSA-N 1 2 257.381 2.213 10 30 CEEELO CCC[C@H](C#N)N1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000109456579 186253503 /nfs/dbraw/zinc/25/35/03/186253503.db2.gz ZLBWNDMJBWAZSZ-CQSZACIVSA-N 1 2 261.369 2.398 10 30 CEEELO CC(C)(C#N)N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000109461130 186254169 /nfs/dbraw/zinc/25/41/69/186254169.db2.gz NNDFEEGOTNKIIY-UHFFFAOYSA-N 1 2 279.334 2.385 10 30 CEEELO N#Cc1c(Cl)cccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000110259123 364720339 /nfs/dbraw/zinc/72/03/39/364720339.db2.gz UGTPUOACLADDAR-LBPRGKRZSA-N 1 2 291.782 2.123 10 30 CEEELO CCn1cc[nH+]c1CSc1nnc(C)c(C)c1C#N ZINC000182697079 368581570 /nfs/dbraw/zinc/58/15/70/368581570.db2.gz VAZWSWWKFWZIEB-UHFFFAOYSA-N 1 2 273.365 2.474 10 30 CEEELO N#Cc1nc(NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000302686372 379423686 /nfs/dbraw/zinc/42/36/86/379423686.db2.gz BEWHUHLJLQQUTG-UHFFFAOYSA-N 1 2 294.274 2.121 10 30 CEEELO CO[C@@H]1CN(c2cc(C)[nH+]c(C)c2C#N)CC[C@@H]1C ZINC000221015457 285774230 /nfs/dbraw/zinc/77/42/30/285774230.db2.gz RKHTWBFSXSXZJO-ZUZCIYMTSA-N 1 2 259.353 2.431 10 30 CEEELO CCCN[C@](C)(C#N)C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045177467 175323357 /nfs/dbraw/zinc/32/33/57/175323357.db2.gz REZQWSFGEJINNY-DZGCQCFKSA-N 1 2 267.417 2.015 10 30 CEEELO CCCN[C@](C)(C#N)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000045177467 175323358 /nfs/dbraw/zinc/32/33/58/175323358.db2.gz REZQWSFGEJINNY-DZGCQCFKSA-N 1 2 267.417 2.015 10 30 CEEELO CCC[N@H+](C)C[C@](C#N)(NC1CC1)c1ccccc1 ZINC000045179978 175323943 /nfs/dbraw/zinc/32/39/43/175323943.db2.gz OTLPVIJOVNVPLE-INIZCTEOSA-N 1 2 257.381 2.499 10 30 CEEELO CCC[N@@H+](C)C[C@](C#N)(NC1CC1)c1ccccc1 ZINC000045179978 175323944 /nfs/dbraw/zinc/32/39/44/175323944.db2.gz OTLPVIJOVNVPLE-INIZCTEOSA-N 1 2 257.381 2.499 10 30 CEEELO CCC(CC)[N@H+](CCOC)C[C@](C)(C#N)NC1CC1 ZINC000045177832 175323986 /nfs/dbraw/zinc/32/39/86/175323986.db2.gz OMQDPUCFWVTKLE-HNNXBMFYSA-N 1 2 267.417 2.158 10 30 CEEELO CCC(CC)[N@@H+](CCOC)C[C@](C)(C#N)NC1CC1 ZINC000045177832 175323987 /nfs/dbraw/zinc/32/39/87/175323987.db2.gz OMQDPUCFWVTKLE-HNNXBMFYSA-N 1 2 267.417 2.158 10 30 CEEELO CCOc1ccc2[nH]c(SC[C@@](C)([NH3+])C#N)nc2c1 ZINC000045217426 175329578 /nfs/dbraw/zinc/32/95/78/175329578.db2.gz NQOQGRJDFQYQGJ-ZDUSSCGKSA-N 1 2 276.365 2.295 10 30 CEEELO O=C(NCCC1CCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329001866 227254128 /nfs/dbraw/zinc/25/41/28/227254128.db2.gz WBWVFVWAURPQTL-CYBMUJFWSA-N 1 2 277.368 2.219 10 30 CEEELO CC#CC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000173689648 329150476 /nfs/dbraw/zinc/15/04/76/329150476.db2.gz XPCQEMFIOJFKPB-UHFFFAOYSA-N 1 2 295.386 2.483 10 30 CEEELO CCCN[C@](C#N)(C[N@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069080200 520099364 /nfs/dbraw/zinc/09/93/64/520099364.db2.gz QNAGUHOGAXMWFY-WMLDXEAASA-N 1 2 293.455 2.405 10 30 CEEELO CCCN[C@](C#N)(C[N@@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069080200 520099369 /nfs/dbraw/zinc/09/93/69/520099369.db2.gz QNAGUHOGAXMWFY-WMLDXEAASA-N 1 2 293.455 2.405 10 30 CEEELO CCOC(=O)CCCNc1cc(C)[nH+]c(C)c1C#N ZINC000157366875 520660141 /nfs/dbraw/zinc/66/01/41/520660141.db2.gz YVZGLAXMMHMLPW-UHFFFAOYSA-N 1 2 261.325 2.325 10 30 CEEELO C[NH2+][C@@](C)(C#N)C[C@H](C)Sc1nnc2n1CCCCC2 ZINC000068624906 522406012 /nfs/dbraw/zinc/40/60/12/522406012.db2.gz KBHCZUPKDCULLE-SMDDNHRTSA-N 1 2 293.440 2.377 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCn1nc(C)c(Br)c1C ZINC000050594754 522406263 /nfs/dbraw/zinc/40/62/63/522406263.db2.gz APOJZGPKDKXZHJ-LLVKDONJSA-N 1 2 285.189 2.154 10 30 CEEELO C[C@@H]1Cc2ccccc2N(C[C@@]([NH3+])(C#N)C2CC2)C1 ZINC000069083603 525526638 /nfs/dbraw/zinc/52/66/38/525526638.db2.gz IYONJCYGQYLZJH-WBMJQRKESA-N 1 2 255.365 2.316 10 30 CEEELO N#C[C@]([NH3+])(CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000069089696 526514295 /nfs/dbraw/zinc/51/42/95/526514295.db2.gz LIAGKEOZDREYFT-LBPRGKRZSA-N 1 2 263.322 2.318 10 30 CEEELO N#C[C@]([NH3+])(COc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000069089133 526515136 /nfs/dbraw/zinc/51/51/36/526515136.db2.gz HEPLMUSSJQGYKP-LBPRGKRZSA-N 1 2 281.699 2.258 10 30 CEEELO N#Cc1ccc(OCc2ccc[nH+]c2N)c([N+](=O)[O-])c1 ZINC000052755741 526677424 /nfs/dbraw/zinc/67/74/24/526677424.db2.gz NTFGFRAJVMWBPN-UHFFFAOYSA-N 1 2 270.248 2.023 10 30 CEEELO O=C[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000054236851 343586850 /nfs/dbraw/zinc/58/68/50/343586850.db2.gz QQQZZROANQZKOI-SECBINFHSA-N 1 2 272.142 2.453 10 30 CEEELO O=C[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000054236851 343586852 /nfs/dbraw/zinc/58/68/52/343586852.db2.gz QQQZZROANQZKOI-SECBINFHSA-N 1 2 272.142 2.453 10 30 CEEELO C=C(Br)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000306492995 344713841 /nfs/dbraw/zinc/71/38/41/344713841.db2.gz YIOPUXQMJVDUKU-BDAKNGLRSA-N 1 2 256.147 2.387 10 30 CEEELO O=C(CC1(O)CCCCC1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328632453 344757562 /nfs/dbraw/zinc/75/75/62/344757562.db2.gz RWLIARXUIDYGJR-CYBMUJFWSA-N 1 2 291.395 2.487 10 30 CEEELO Cc1occc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328646025 344757708 /nfs/dbraw/zinc/75/77/08/344757708.db2.gz ZXUUYTVYHZUUCN-LLVKDONJSA-N 1 2 259.309 2.352 10 30 CEEELO CCc1ncsc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328619126 344755787 /nfs/dbraw/zinc/75/57/87/344755787.db2.gz FMQYRIHFVSJDOB-SNVBAGLBSA-N 1 2 290.392 2.469 10 30 CEEELO COCCn1cc(Nc2cc(C)[nH+]c(C)c2C#N)cn1 ZINC000133755663 232212981 /nfs/dbraw/zinc/21/29/81/232212981.db2.gz HIZCXJAPUOBGMR-UHFFFAOYSA-N 1 2 271.324 2.157 10 30 CEEELO CN(C)c1nc(N(C)c2ccc(C#N)cc2)cc[nH+]1 ZINC000085436968 179063447 /nfs/dbraw/zinc/06/34/47/179063447.db2.gz GOFXWRDSOHCITG-UHFFFAOYSA-N 1 2 253.309 2.182 10 30 CEEELO CC[NH2+][C@@]1(C#N)CC[C@H](n2cc(Br)cn2)C1 ZINC000086623175 179311527 /nfs/dbraw/zinc/31/15/27/179311527.db2.gz JICLQOKECBRLNJ-QWRGUYRKSA-N 1 2 283.173 2.242 10 30 CEEELO CCC[NH2+][C@@](C#N)(CSC[C@@H](C)CO)C1CC1 ZINC000091258168 180115263 /nfs/dbraw/zinc/11/52/63/180115263.db2.gz AMVHRJBTWZEQDY-AAEUAGOBSA-N 1 2 256.415 2.020 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCCSC[C@H](C)CO ZINC000091258274 180115540 /nfs/dbraw/zinc/11/55/40/180115540.db2.gz FYDUXFDHMHXKSD-CHWSQXEVSA-N 1 2 258.431 2.410 10 30 CEEELO CSC1(C#N)CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000091471073 180164786 /nfs/dbraw/zinc/16/47/86/180164786.db2.gz ZAWVYMSUZXIMRY-UHFFFAOYSA-N 1 2 289.404 2.346 10 30 CEEELO Cc1cc(NC(=O)c2ccc(C#CCO)cc2F)cc[nH+]1 ZINC000092365890 180368995 /nfs/dbraw/zinc/36/89/95/180368995.db2.gz YLUQQYLWTYDIGV-UHFFFAOYSA-N 1 2 284.290 2.125 10 30 CEEELO C=CC[NH2+]Cc1nc([C@@H]2COc3ccccc3C2)no1 ZINC000092465066 180391238 /nfs/dbraw/zinc/39/12/38/180391238.db2.gz WYCHKZSNSPQUCA-LBPRGKRZSA-N 1 2 271.320 2.064 10 30 CEEELO N#Cc1ccc(-c2nnc([C@@H]([NH3+])c3ccccc3)o2)nc1 ZINC000111284326 186389792 /nfs/dbraw/zinc/38/97/92/186389792.db2.gz PSTOTHMTUQBILC-ZDUSSCGKSA-N 1 2 277.287 2.051 10 30 CEEELO Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c(C#N)c(C)[nH+]1 ZINC000301754476 201179013 /nfs/dbraw/zinc/17/90/13/201179013.db2.gz CNDWVDGPHCLLTO-LBPRGKRZSA-N 1 2 285.269 2.074 10 30 CEEELO Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)c(C#N)c(C)[nH+]1 ZINC000301754475 201179019 /nfs/dbraw/zinc/17/90/19/201179019.db2.gz CNDWVDGPHCLLTO-GFCCVEGCSA-N 1 2 285.269 2.074 10 30 CEEELO CCOC[C@@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301803113 201207119 /nfs/dbraw/zinc/20/71/19/201207119.db2.gz WWOGOTPAZIMRQD-CYBMUJFWSA-N 1 2 259.353 2.433 10 30 CEEELO C[C@@H]1C[C@@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000170818139 367424090 /nfs/dbraw/zinc/42/40/90/367424090.db2.gz SIOVZXJIFJMAAM-MFKMUULPSA-N 1 2 296.374 2.055 10 30 CEEELO Cc1cc(N2CCC(NC(=O)C3CC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301777286 379302575 /nfs/dbraw/zinc/30/25/75/379302575.db2.gz LUQZYIJTBDKIFI-UHFFFAOYSA-N 1 2 298.390 2.065 10 30 CEEELO C[NH2+][C@@]1(C#N)CCC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093747699 184711926 /nfs/dbraw/zinc/71/19/26/184711926.db2.gz HEQVEETZSHIHKK-CABZTGNLSA-N 1 2 297.453 2.121 10 30 CEEELO COc1ccc(-c2[nH+]c(/C=N/N)c3ccccn32)cc1 ZINC000008492875 170338071 /nfs/dbraw/zinc/33/80/71/170338071.db2.gz NNSBSDPHYXLLNK-LICLKQGHSA-N 1 2 266.304 2.303 10 30 CEEELO COC(=O)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000035346521 172138596 /nfs/dbraw/zinc/13/85/96/172138596.db2.gz GMWCUSYDVVBYCS-RISCZKNCSA-N 1 2 260.337 2.406 10 30 CEEELO CN(Cc1cccs1)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000035717550 172370939 /nfs/dbraw/zinc/37/09/39/172370939.db2.gz HIHKLQZWPNVIIX-UHFFFAOYSA-N 1 2 261.350 2.479 10 30 CEEELO CC(C)[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044809617 175257642 /nfs/dbraw/zinc/25/76/42/175257642.db2.gz ARFLQKAYAWKGNA-MRXNPFEDSA-N 1 2 285.391 2.127 10 30 CEEELO CN[C@@](C#N)(C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000045178801 175324330 /nfs/dbraw/zinc/32/43/30/175324330.db2.gz LTOGLKRRGCZCKA-INIZCTEOSA-N 1 2 257.381 2.357 10 30 CEEELO CCCN[C@@](C)(C#N)C[N@H+](CCOC)C(CC)CC ZINC000045177824 175324417 /nfs/dbraw/zinc/32/44/17/175324417.db2.gz QUKGGODHLBRALT-HNNXBMFYSA-N 1 2 269.433 2.405 10 30 CEEELO CCCN[C@@](C)(C#N)C[N@@H+](CCOC)C(CC)CC ZINC000045177824 175324419 /nfs/dbraw/zinc/32/44/19/175324419.db2.gz QUKGGODHLBRALT-HNNXBMFYSA-N 1 2 269.433 2.405 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1cccc([N+](=O)[O-])c1 ZINC000045331027 175360191 /nfs/dbraw/zinc/36/01/91/175360191.db2.gz RIDXLGRGDNKMJF-CYBMUJFWSA-N 1 2 263.297 2.255 10 30 CEEELO COc1ccc2c(c1)[C@H](C#N)N(CCCn1cc[nH+]c1)C2=O ZINC000071678536 176243446 /nfs/dbraw/zinc/24/34/46/176243446.db2.gz HYWYTRPKHOSOMB-HNNXBMFYSA-N 1 2 296.330 2.002 10 30 CEEELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cn2ccccc2c1C#N ZINC000077369426 177259020 /nfs/dbraw/zinc/25/90/20/177259020.db2.gz WDBPUQJPDDBHTM-BETUJISGSA-N 1 2 269.348 2.420 10 30 CEEELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000077369426 177259021 /nfs/dbraw/zinc/25/90/21/177259021.db2.gz WDBPUQJPDDBHTM-BETUJISGSA-N 1 2 269.348 2.420 10 30 CEEELO C(=[NH+]\C1CCCCC1)\c1cn(C[C@H]2CCOC2)nn1 ZINC000536960166 330384162 /nfs/dbraw/zinc/38/41/62/330384162.db2.gz SREDMGMOKGGMMN-PWDRSIHYSA-N 1 2 262.357 2.066 10 30 CEEELO CCOC1CC[NH+](C[C@](C#N)(NC(C)C)C2CC2)CC1 ZINC000069078873 521656242 /nfs/dbraw/zinc/65/62/42/521656242.db2.gz HJDNONNNGOHWGW-INIZCTEOSA-N 1 2 279.428 2.158 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCN(CC)CC(F)(F)F ZINC000062435771 519982112 /nfs/dbraw/zinc/98/21/12/519982112.db2.gz WHDZSTNRRGCJDR-SNVBAGLBSA-N 1 2 251.296 2.152 10 30 CEEELO CCc1nc2ccccc2n1C[C@@]([NH3+])(C#N)C1CC1 ZINC000069085021 522503270 /nfs/dbraw/zinc/50/32/70/522503270.db2.gz GOORASHKUCUQBM-HNNXBMFYSA-N 1 2 254.337 2.230 10 30 CEEELO CC[C@H]1C[N@H+](Cc2ccc(F)c(C#CCCO)c2)CCO1 ZINC000049618445 523288426 /nfs/dbraw/zinc/28/84/26/523288426.db2.gz LUPFISRLOYQJHV-INIZCTEOSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@H]1C[N@@H+](Cc2ccc(F)c(C#CCCO)c2)CCO1 ZINC000049618445 523288432 /nfs/dbraw/zinc/28/84/32/523288432.db2.gz LUPFISRLOYQJHV-INIZCTEOSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@H]1COCC[N@@H+]1Cc1ccc(F)cc1C#CCCO ZINC000049613350 523336666 /nfs/dbraw/zinc/33/66/66/523336666.db2.gz BIHDSGWNQNZQJQ-KRWDZBQOSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@H]1COCC[N@H+]1Cc1ccc(F)cc1C#CCCO ZINC000049613350 523336674 /nfs/dbraw/zinc/33/66/74/523336674.db2.gz BIHDSGWNQNZQJQ-KRWDZBQOSA-N 1 2 291.366 2.170 10 30 CEEELO N#CC[C@H](c1ccccc1)[N@@H+](CC(N)=O)C1CCCC1 ZINC000055020539 526481990 /nfs/dbraw/zinc/48/19/90/526481990.db2.gz XECFRCXMKLZTEY-OAHLLOKOSA-N 1 2 271.364 2.371 10 30 CEEELO N#CC[C@H](c1ccccc1)[N@H+](CC(N)=O)C1CCCC1 ZINC000055020539 526481994 /nfs/dbraw/zinc/48/19/94/526481994.db2.gz XECFRCXMKLZTEY-OAHLLOKOSA-N 1 2 271.364 2.371 10 30 CEEELO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000166228163 344475816 /nfs/dbraw/zinc/47/58/16/344475816.db2.gz MHZWMJPLYQZMNZ-HNNXBMFYSA-N 1 2 272.348 2.394 10 30 CEEELO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000166228163 344475830 /nfs/dbraw/zinc/47/58/30/344475830.db2.gz MHZWMJPLYQZMNZ-HNNXBMFYSA-N 1 2 272.348 2.394 10 30 CEEELO N#C[C@]1(Cc2coc(Br)c2)CCC[NH2+]1 ZINC000307249757 344721446 /nfs/dbraw/zinc/72/14/46/344721446.db2.gz OVYVSJVZRGJZEG-SNVBAGLBSA-N 1 2 255.115 2.230 10 30 CEEELO Cc1nc(NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)oc1C ZINC000328614594 344755918 /nfs/dbraw/zinc/75/59/18/344755918.db2.gz ALKADZXOKRXGSD-NSHDSACASA-N 1 2 289.339 2.076 10 30 CEEELO C[NH2+][C@](C)(C#N)C[C@@H](C)Sc1nc(C)cc(C)n1 ZINC000084311761 178855428 /nfs/dbraw/zinc/85/54/28/178855428.db2.gz QVKBXUYJWMHVMT-YPMHNXCESA-N 1 2 264.398 2.466 10 30 CEEELO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cccc(C#N)c2)C1 ZINC000616630071 348540344 /nfs/dbraw/zinc/54/03/44/348540344.db2.gz KXZVYRXYMUWXIV-CQSZACIVSA-N 1 2 287.363 2.440 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1csc2ccccc12 ZINC000091749190 180246133 /nfs/dbraw/zinc/24/61/33/180246133.db2.gz HWMIQWCXUGAGNE-GFCCVEGCSA-N 1 2 257.362 2.199 10 30 CEEELO Cc1cc(NC(=O)c2ccc(C#CCCO)s2)cc[nH+]1 ZINC000092365915 180368914 /nfs/dbraw/zinc/36/89/14/180368914.db2.gz VYSFIEXYVHFRKK-UHFFFAOYSA-N 1 2 286.356 2.438 10 30 CEEELO CCC[NH2+][C@@](C)(C#N)CCSc1cnccn1 ZINC000110914405 186332788 /nfs/dbraw/zinc/33/27/88/186332788.db2.gz LBMPBFNKZYZFIU-GFCCVEGCSA-N 1 2 250.371 2.241 10 30 CEEELO COC(=O)C(C)(C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000301752448 201176846 /nfs/dbraw/zinc/17/68/46/201176846.db2.gz BLXNYBVYNDVZFB-UHFFFAOYSA-N 1 2 261.325 2.181 10 30 CEEELO C=CCCC(C)(C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638873482 370812029 /nfs/dbraw/zinc/81/20/29/370812029.db2.gz ANHBAYDKILPYQD-SNVBAGLBSA-N 1 2 260.328 2.092 10 30 CEEELO Cc1cc(NCc2nc(CO)cs2)c(C#N)c(C)[nH+]1 ZINC000302304808 379353250 /nfs/dbraw/zinc/35/32/50/379353250.db2.gz NYBDKKCVXAZNOS-UHFFFAOYSA-N 1 2 274.349 2.131 10 30 CEEELO C[NH2+][C@]1(C#N)CCC[C@@H]1CCSc1ncccn1 ZINC000093580775 184691622 /nfs/dbraw/zinc/69/16/22/184691622.db2.gz JRKXQRHANPLRRL-YPMHNXCESA-N 1 2 262.382 2.241 10 30 CEEELO CC[NH2+][C@@]1(C#N)CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC000093805210 184723979 /nfs/dbraw/zinc/72/39/79/184723979.db2.gz DIFXDBQTZGNFRG-FZMZJTMJSA-N 1 2 275.308 2.398 10 30 CEEELO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000035346520 172139068 /nfs/dbraw/zinc/13/90/68/172139068.db2.gz GMWCUSYDVVBYCS-FZMZJTMJSA-N 1 2 260.337 2.406 10 30 CEEELO C=CCNc1nc[nH+]c(N(C)Cc2ccccc2)c1N ZINC000040662164 174366074 /nfs/dbraw/zinc/36/60/74/174366074.db2.gz QYDZQLCNRCUHBI-UHFFFAOYSA-N 1 2 269.352 2.293 10 30 CEEELO C=CCNc1[nH+]cnc(Nc2ccc(Cl)cn2)c1N ZINC000040708963 174380115 /nfs/dbraw/zinc/38/01/15/174380115.db2.gz FQVMWXAZJPOQKS-UHFFFAOYSA-N 1 2 276.731 2.449 10 30 CEEELO CN[C@@](C#N)(C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000045179185 175324185 /nfs/dbraw/zinc/32/41/85/175324185.db2.gz PBNNUPIBCOXRML-ZBFHGGJFSA-N 1 2 257.381 2.357 10 30 CEEELO CN[C@@](C#N)(C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000045179185 175324186 /nfs/dbraw/zinc/32/41/86/175324186.db2.gz PBNNUPIBCOXRML-ZBFHGGJFSA-N 1 2 257.381 2.357 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCN(C)CC(F)(F)F ZINC000045181439 175324854 /nfs/dbraw/zinc/32/48/54/175324854.db2.gz REWGIBBEVOYQSB-SNVBAGLBSA-N 1 2 251.296 2.151 10 30 CEEELO C[N@H+](CC1CC1)C[C@](C#N)(NC1CC1)c1ccccc1 ZINC000045181490 175324932 /nfs/dbraw/zinc/32/49/32/175324932.db2.gz FGOBOEMICCVCHB-KRWDZBQOSA-N 1 2 269.392 2.499 10 30 CEEELO C[N@@H+](CC1CC1)C[C@](C#N)(NC1CC1)c1ccccc1 ZINC000045181490 175324934 /nfs/dbraw/zinc/32/49/34/175324934.db2.gz FGOBOEMICCVCHB-KRWDZBQOSA-N 1 2 269.392 2.499 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCSc1ncc(C)cn1 ZINC000045367122 175363265 /nfs/dbraw/zinc/36/32/65/175363265.db2.gz OSDZBNPIIIUHPR-GFCCVEGCSA-N 1 2 250.371 2.159 10 30 CEEELO COCC[N@H+](CCC#N)Cc1ccc(Cl)cc1N ZINC000071221826 176087747 /nfs/dbraw/zinc/08/77/47/176087747.db2.gz DAXKOZGUVYHEJX-UHFFFAOYSA-N 1 2 267.760 2.284 10 30 CEEELO COCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1N ZINC000071221826 176087748 /nfs/dbraw/zinc/08/77/48/176087748.db2.gz DAXKOZGUVYHEJX-UHFFFAOYSA-N 1 2 267.760 2.284 10 30 CEEELO CN1CC[N@@H+]([C@H]2CCCc3ccccc32)C[C@H]1C#N ZINC000336485340 290056448 /nfs/dbraw/zinc/05/64/48/290056448.db2.gz QCWBPZYFOCTAEE-ZBFHGGJFSA-N 1 2 255.365 2.204 10 30 CEEELO CN1CC[N@H+]([C@H]2CCCc3ccccc32)C[C@H]1C#N ZINC000336485340 290056453 /nfs/dbraw/zinc/05/64/53/290056453.db2.gz QCWBPZYFOCTAEE-ZBFHGGJFSA-N 1 2 255.365 2.204 10 30 CEEELO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@H](C)C#N ZINC000050817213 521293003 /nfs/dbraw/zinc/29/30/03/521293003.db2.gz DLEYRYHOMWLOJZ-SNVBAGLBSA-N 1 2 262.313 2.159 10 30 CEEELO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@H](C)C#N ZINC000050817213 521293010 /nfs/dbraw/zinc/29/30/10/521293010.db2.gz DLEYRYHOMWLOJZ-SNVBAGLBSA-N 1 2 262.313 2.159 10 30 CEEELO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#CCO)cc1F ZINC000049614693 523518482 /nfs/dbraw/zinc/51/84/82/523518482.db2.gz NRDJUNMEUOAFHY-CZUORRHYSA-N 1 2 291.366 2.169 10 30 CEEELO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#CCO)cc1F ZINC000049614693 523518489 /nfs/dbraw/zinc/51/84/89/523518489.db2.gz NRDJUNMEUOAFHY-CZUORRHYSA-N 1 2 291.366 2.169 10 30 CEEELO C[C@H]1C[NH+](Cc2ccc(C#CCCO)cc2F)C[C@H](C)O1 ZINC000049615878 524616168 /nfs/dbraw/zinc/61/61/68/524616168.db2.gz BQDPANATDZHNBA-KBPBESRZSA-N 1 2 291.366 2.169 10 30 CEEELO N#C[C@@]([NH3+])(CSc1ncnc2ccccc21)C1CC1 ZINC000069092674 526502736 /nfs/dbraw/zinc/50/27/36/526502736.db2.gz ZMUWJZFJMVXTTA-CQSZACIVSA-N 1 2 270.361 2.353 10 30 CEEELO Cc1[nH]c(CNc2ccc([N+](=O)[O-])cc2C#N)c[nH+]1 ZINC000054822157 526899905 /nfs/dbraw/zinc/89/99/05/526899905.db2.gz OUKASWAEPQTTMJ-UHFFFAOYSA-N 1 2 257.253 2.110 10 30 CEEELO Cc1[nH]cc(CNc2ccc([N+](=O)[O-])cc2C#N)[nH+]1 ZINC000054822157 526899907 /nfs/dbraw/zinc/89/99/07/526899907.db2.gz OUKASWAEPQTTMJ-UHFFFAOYSA-N 1 2 257.253 2.110 10 30 CEEELO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C#N)sn1 ZINC000399128614 344856994 /nfs/dbraw/zinc/85/69/94/344856994.db2.gz NSJMCERVOZNKAI-KOLCDFICSA-N 1 2 251.355 2.324 10 30 CEEELO CSc1cc2c(cc1C[NH2+]CCC#N)OCCO2 ZINC000086498696 179303130 /nfs/dbraw/zinc/30/31/30/179303130.db2.gz PONZVIBICQDJGP-UHFFFAOYSA-N 1 2 264.350 2.183 10 30 CEEELO CC[NH2+][C@@]1(C#N)CC[C@H](Sc2nncs2)C1 ZINC000086624243 179312157 /nfs/dbraw/zinc/31/21/57/179312157.db2.gz MIFPLZSMTUACTF-WPRPVWTQSA-N 1 2 254.384 2.055 10 30 CEEELO N#Cc1ccc(N2CC[C@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000110259142 186289397 /nfs/dbraw/zinc/28/93/97/186289397.db2.gz MONBHIMIYNETLK-ZDUSSCGKSA-N 1 2 291.782 2.123 10 30 CEEELO COC(=O)[C@@]12CCC[C@@H]1CN(c1cc(C)[nH+]c(C)c1C#N)C2 ZINC000302172821 201381865 /nfs/dbraw/zinc/38/18/65/201381865.db2.gz MIXQQRBNQHECNX-CXAGYDPISA-N 1 2 299.374 2.350 10 30 CEEELO COC(=O)[C@]12CCC[C@@H]1CN(c1cc(C)[nH+]c(C)c1C#N)C2 ZINC000302172822 201381956 /nfs/dbraw/zinc/38/19/56/201381956.db2.gz MIXQQRBNQHECNX-DYVFJYSZSA-N 1 2 299.374 2.350 10 30 CEEELO CC#CC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000119201683 365234639 /nfs/dbraw/zinc/23/46/39/365234639.db2.gz ZGIYOWDSFPAVMD-UHFFFAOYSA-N 1 2 294.402 2.013 10 30 CEEELO CC#CCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000119201683 365234648 /nfs/dbraw/zinc/23/46/48/365234648.db2.gz ZGIYOWDSFPAVMD-UHFFFAOYSA-N 1 2 294.402 2.013 10 30 CEEELO C[C@H]1C[C@@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000170818141 367422811 /nfs/dbraw/zinc/42/28/11/367422811.db2.gz SIOVZXJIFJMAAM-GWCFXTLKSA-N 1 2 296.374 2.055 10 30 CEEELO C[C@@H](C#N)CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000182693526 368581444 /nfs/dbraw/zinc/58/14/44/368581444.db2.gz ZBGGWQIUISSHPL-STQMWFEESA-N 1 2 297.362 2.392 10 30 CEEELO C=CCO[C@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000302122097 394472762 /nfs/dbraw/zinc/47/27/62/394472762.db2.gz DSJQUQWEGOIROH-ZDUSSCGKSA-N 1 2 257.337 2.351 10 30 CEEELO Cc1cc(NCC[C@@H](C)[S@](C)=O)c(C#N)c(C)[nH+]1 ZINC000158085838 395037267 /nfs/dbraw/zinc/03/72/67/395037267.db2.gz DOHFRJIQCLKCAK-MLCYQJTMSA-N 1 2 265.382 2.139 10 30 CEEELO CCn1c(C)nnc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000195066990 153276523 /nfs/dbraw/zinc/27/65/23/153276523.db2.gz KDRCFTXVXZJWBF-UHFFFAOYSA-N 1 2 269.352 2.110 10 30 CEEELO CCn1c(C)nnc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000195066990 153276529 /nfs/dbraw/zinc/27/65/29/153276529.db2.gz KDRCFTXVXZJWBF-UHFFFAOYSA-N 1 2 269.352 2.110 10 30 CEEELO CC(C)N[C@@](C#N)(C[NH+]1CCCC1)c1ccccc1 ZINC000045178863 175324025 /nfs/dbraw/zinc/32/40/25/175324025.db2.gz NAVMVRCFAAVTSY-INIZCTEOSA-N 1 2 257.381 2.499 10 30 CEEELO C[C@]([NH3+])(C#N)CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000045214321 175329202 /nfs/dbraw/zinc/32/92/02/175329202.db2.gz BYYCGQNLURIMKS-LLVKDONJSA-N 1 2 269.688 2.258 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCSc1cnn(C)c1 ZINC000045220897 175330247 /nfs/dbraw/zinc/33/02/47/175330247.db2.gz URAXLOKFZUMSBG-LBPRGKRZSA-N 1 2 252.387 2.184 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCSc1cnn(C)c1 ZINC000045367015 175363355 /nfs/dbraw/zinc/36/33/55/175363355.db2.gz JAKZPRABQUVIOQ-LBPRGKRZSA-N 1 2 252.387 2.184 10 30 CEEELO N#Cc1cc2ccccc2nc1Sc1nc(N)cc(N)[nH+]1 ZINC000071390700 176148347 /nfs/dbraw/zinc/14/83/47/176148347.db2.gz WNUUQFSPGVCCDX-UHFFFAOYSA-N 1 2 294.343 2.212 10 30 CEEELO C=CCN(CC=C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000071551995 176196534 /nfs/dbraw/zinc/19/65/34/176196534.db2.gz MDEPJPXLIGNUQG-UHFFFAOYSA-N 1 2 255.321 2.457 10 30 CEEELO COc1ccc(C#N)cc1C[NH+]1[C@H](C)COC[C@H]1C ZINC000151502412 289060306 /nfs/dbraw/zinc/06/03/06/289060306.db2.gz BISQEQUJWRAEFF-VXGBXAGGSA-N 1 2 260.337 2.176 10 30 CEEELO Cn1c2ccccc2nc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000111348249 294189973 /nfs/dbraw/zinc/18/99/73/294189973.db2.gz YNMDOFVCPRALLR-VXGBXAGGSA-N 1 2 254.337 2.355 10 30 CEEELO CC(C)CN(c1cc[nH+]c(/C(N)=N/O)c1)C(C)C ZINC000061813785 519719129 /nfs/dbraw/zinc/71/91/29/519719129.db2.gz RJDBOQJBQSNSFA-UHFFFAOYSA-N 1 2 250.346 2.047 10 30 CEEELO CCCN[C@@](C#N)(C[N@H+](CCOC)CC(C)C)C1CC1 ZINC000069079534 520028159 /nfs/dbraw/zinc/02/81/59/520028159.db2.gz YFCUNWMFYMWQBS-INIZCTEOSA-N 1 2 281.444 2.263 10 30 CEEELO CCCN[C@@](C#N)(C[N@@H+](CCOC)CC(C)C)C1CC1 ZINC000069079534 520028170 /nfs/dbraw/zinc/02/81/70/520028170.db2.gz YFCUNWMFYMWQBS-INIZCTEOSA-N 1 2 281.444 2.263 10 30 CEEELO CC[N@H+](CCC#N)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816449 520979009 /nfs/dbraw/zinc/97/90/09/520979009.db2.gz NYPIXWJXQDIWKU-UHFFFAOYSA-N 1 2 262.313 2.372 10 30 CEEELO CC[N@@H+](CCC#N)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816449 520979018 /nfs/dbraw/zinc/97/90/18/520979018.db2.gz NYPIXWJXQDIWKU-UHFFFAOYSA-N 1 2 262.313 2.372 10 30 CEEELO COC(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000061892108 522263618 /nfs/dbraw/zinc/26/36/18/522263618.db2.gz QTILLINLLBACMN-SMDDNHRTSA-N 1 2 258.321 2.255 10 30 CEEELO CCc1[nH+]c2ccccc2n1CC[C@](C)(C#N)NC ZINC000062807912 522503181 /nfs/dbraw/zinc/50/31/81/522503181.db2.gz JOXSHTPLQAECTD-OAHLLOKOSA-N 1 2 256.353 2.490 10 30 CEEELO COCC[N@H+](C[C@](C#N)(NC(C)C)C1CC1)[C@@H](C)C1CC1 ZINC000069080165 523736207 /nfs/dbraw/zinc/73/62/07/523736207.db2.gz GSJHVHDXJQPLKU-YOEHRIQHSA-N 1 2 293.455 2.404 10 30 CEEELO COCC[N@@H+](C[C@](C#N)(NC(C)C)C1CC1)[C@@H](C)C1CC1 ZINC000069080165 523736214 /nfs/dbraw/zinc/73/62/14/523736214.db2.gz GSJHVHDXJQPLKU-YOEHRIQHSA-N 1 2 293.455 2.404 10 30 CEEELO C[C@H](C[C@](C)([NH3+])C#N)Oc1cc(F)c([N+](=O)[O-])cc1F ZINC000068623630 524653173 /nfs/dbraw/zinc/65/31/73/524653173.db2.gz RICUNYOKBCNJRU-KRTXAFLBSA-N 1 2 285.250 2.271 10 30 CEEELO Cc1cc(N2CCCN(C(=O)C3CC3)CC2)c(C#N)c(C)[nH+]1 ZINC000152798916 525064611 /nfs/dbraw/zinc/06/46/11/525064611.db2.gz BJDNMJFWANVCBK-UHFFFAOYSA-N 1 2 298.390 2.019 10 30 CEEELO Cc1cnc(SCC[C@@H](C#N)[NH2+]C(C)C)nc1 ZINC000062457712 526102072 /nfs/dbraw/zinc/10/20/72/526102072.db2.gz ZMDUPBRTISOIGQ-NSHDSACASA-N 1 2 250.371 2.157 10 30 CEEELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(c2ncccc2C#N)C1 ZINC000888102706 628870945 /nfs/dbraw/zinc/87/09/45/628870945.db2.gz HSQCKNVYAFPKSO-KGLIPLIRSA-N 1 2 297.362 2.260 10 30 CEEELO C#CCSCCNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000131782326 652463431 /nfs/dbraw/zinc/46/34/31/652463431.db2.gz JJXRITNVUFKHLW-ZDUSSCGKSA-N 1 2 290.436 2.491 10 30 CEEELO C#CCSCCNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000131782326 652463434 /nfs/dbraw/zinc/46/34/34/652463434.db2.gz JJXRITNVUFKHLW-ZDUSSCGKSA-N 1 2 290.436 2.491 10 30 CEEELO N#Cc1cnc(NCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000125796739 187199896 /nfs/dbraw/zinc/19/98/96/187199896.db2.gz DVOCMHOWZAGJFA-UHFFFAOYSA-N 1 2 290.330 2.205 10 30 CEEELO C=CCC[C@@H](O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000128210492 187357460 /nfs/dbraw/zinc/35/74/60/187357460.db2.gz QLUCCUQXUPMORD-CYBMUJFWSA-N 1 2 277.412 2.229 10 30 CEEELO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C#N)sn1 ZINC000399128616 344857184 /nfs/dbraw/zinc/85/71/84/344857184.db2.gz NSJMCERVOZNKAI-ONGXEEELSA-N 1 2 251.355 2.324 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)C[C@H](C)OCCOC(C)C ZINC000084300349 178850097 /nfs/dbraw/zinc/85/00/97/178850097.db2.gz WPCXDARPHJFELY-UONOGXRCSA-N 1 2 256.390 2.487 10 30 CEEELO COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)oc1C ZINC000061892374 362697587 /nfs/dbraw/zinc/69/75/87/362697587.db2.gz UQNHTYRQPSIQMR-ZWNOBZJWSA-N 1 2 262.309 2.157 10 30 CEEELO CC[N@@H+](Cc1cc(OC)ccc1C#CCO)C[C@H](C)C#N ZINC000087787025 179486644 /nfs/dbraw/zinc/48/66/44/179486644.db2.gz XPVRBKXGRLCWNE-CQSZACIVSA-N 1 2 286.375 2.021 10 30 CEEELO CC[N@H+](Cc1cc(OC)ccc1C#CCO)C[C@H](C)C#N ZINC000087787025 179486647 /nfs/dbraw/zinc/48/66/47/179486647.db2.gz XPVRBKXGRLCWNE-CQSZACIVSA-N 1 2 286.375 2.021 10 30 CEEELO CCOC(=O)[C@@H](CC)[NH+]1CCC(C#N)(SC)CC1 ZINC000091470761 180164926 /nfs/dbraw/zinc/16/49/26/180164926.db2.gz FRGOUKVEOUFQHK-LLVKDONJSA-N 1 2 270.398 2.049 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1c(Cl)cccc1Cl ZINC000091748057 180245407 /nfs/dbraw/zinc/24/54/07/180245407.db2.gz DFGCHNCBVPECQW-SECBINFHSA-N 1 2 270.163 2.291 10 30 CEEELO Cc1cc(NC(=O)c2cccc(C#CCO)c2C)cc[nH+]1 ZINC000092365885 180369288 /nfs/dbraw/zinc/36/92/88/180369288.db2.gz WKLYVYGEOAGASE-UHFFFAOYSA-N 1 2 280.327 2.295 10 30 CEEELO C#CC[NH2+]Cc1nc([C@H]2CCc3ccccc3C2)no1 ZINC000092481625 180394593 /nfs/dbraw/zinc/39/45/93/180394593.db2.gz QZIMNUREUZREBL-AWEZNQCLSA-N 1 2 267.332 2.065 10 30 CEEELO C[C@]([NH3+])(C#N)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000111128601 186356381 /nfs/dbraw/zinc/35/63/81/186356381.db2.gz BPPDANZQHCEANV-AWEZNQCLSA-N 1 2 271.276 2.368 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCCSc1nnc(N(C)C)s1 ZINC000111316654 186396240 /nfs/dbraw/zinc/39/62/40/186396240.db2.gz BAIMTNZQKZDGOP-LBPRGKRZSA-N 1 2 299.469 2.368 10 30 CEEELO CC(C)(C)OC(=O)N1CC[C@@]([NH3+])(C#N)CC1(C)C ZINC000575512412 366292669 /nfs/dbraw/zinc/29/26/69/366292669.db2.gz ODLCOMOWNZNIKJ-ZDUSSCGKSA-N 1 2 253.346 2.017 10 30 CEEELO CN1C(=S)S[C@H](/[N+](O)=C\c2ccco2)C1(C)C ZINC000141195048 366564313 /nfs/dbraw/zinc/56/43/13/366564313.db2.gz KELAIKBHOGVRSY-PBJWJZLWSA-N 1 2 271.387 2.168 10 30 CEEELO COC(=O)[C@]12CCC[C@H]1CN(c1cc(C)[nH+]c(C)c1C#N)C2 ZINC000302172823 201381172 /nfs/dbraw/zinc/38/11/72/201381172.db2.gz MIXQQRBNQHECNX-GUYCJALGSA-N 1 2 299.374 2.350 10 30 CEEELO C#CCNC(=O)CNc1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000302887465 394478549 /nfs/dbraw/zinc/47/85/49/394478549.db2.gz MBYNWYYTRVZXLL-UHFFFAOYSA-N 1 2 288.395 2.059 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCSc1nccn1C ZINC000045217526 175329551 /nfs/dbraw/zinc/32/95/51/175329551.db2.gz GIPRDYMTSLMIII-LBPRGKRZSA-N 1 2 252.387 2.183 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCCn1cc(Br)cn1 ZINC000045322321 175359941 /nfs/dbraw/zinc/35/99/41/175359941.db2.gz DMCUPNUHDPURHS-NSHDSACASA-N 1 2 285.189 2.318 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1cc([N+](=O)[O-])ccc1OC ZINC000045331434 175360250 /nfs/dbraw/zinc/36/02/50/175360250.db2.gz YCONRXRPXZGCBZ-CQSZACIVSA-N 1 2 293.323 2.264 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCOc1ccccc1[N+](=O)[O-] ZINC000045331110 175360270 /nfs/dbraw/zinc/36/02/70/175360270.db2.gz FNIISWHCQMXXTR-CYBMUJFWSA-N 1 2 263.297 2.255 10 30 CEEELO CCCNC(=O)[C@H](C)[NH2+][C@@H](CC#N)c1ccccc1 ZINC000055018039 519893084 /nfs/dbraw/zinc/89/30/84/519893084.db2.gz VVRSWDXOTWQMPN-JSGCOSHPSA-N 1 2 259.353 2.146 10 30 CEEELO CCCN[C@@](C#N)(C[NH+]1CCC(OCC)CC1)C1CC1 ZINC000069078905 520030030 /nfs/dbraw/zinc/03/00/30/520030030.db2.gz MFWMCPGIDXLWPF-INIZCTEOSA-N 1 2 279.428 2.159 10 30 CEEELO CCN[C@@H](C#N)CCn1c2ccccc2[nH+]c1CC ZINC000062807888 520058514 /nfs/dbraw/zinc/05/85/14/520058514.db2.gz OAMHWEDKYGHAPZ-GFCCVEGCSA-N 1 2 256.353 2.490 10 30 CEEELO CCCN[C@](C#N)(C[N@H+](CC)C[C@@H]1CCCO1)C1CC1 ZINC000069079571 520099677 /nfs/dbraw/zinc/09/96/77/520099677.db2.gz VIVAEGYOXJYIMQ-JKSUJKDBSA-N 1 2 279.428 2.159 10 30 CEEELO CCCN[C@](C#N)(C[N@@H+](CC)C[C@@H]1CCCO1)C1CC1 ZINC000069079571 520099685 /nfs/dbraw/zinc/09/96/85/520099685.db2.gz VIVAEGYOXJYIMQ-JKSUJKDBSA-N 1 2 279.428 2.159 10 30 CEEELO CCC[NH2+][C@](C#N)(CN(CC)C[C@@H]1CCCO1)C1CC1 ZINC000069079571 520099694 /nfs/dbraw/zinc/09/96/94/520099694.db2.gz VIVAEGYOXJYIMQ-JKSUJKDBSA-N 1 2 279.428 2.159 10 30 CEEELO CCNc1[nH+]cnc2c1cnn2-c1ccc(C#N)cc1 ZINC000062366955 520383644 /nfs/dbraw/zinc/38/36/44/520383644.db2.gz KKBNDEQGGMMDDC-UHFFFAOYSA-N 1 2 264.292 2.119 10 30 CEEELO CC[C@H]1CO[C@H](C)CN1C[C@](C#N)([NH2+]C(C)C)C1CC1 ZINC000069080416 523351064 /nfs/dbraw/zinc/35/10/64/523351064.db2.gz WWCVFYXYERVFHM-KBMXLJTQSA-N 1 2 279.428 2.156 10 30 CEEELO COc1ccccc1N(C)CC[C@@H](C#N)[NH2+]C(C)C ZINC000062438194 524524947 /nfs/dbraw/zinc/52/49/47/524524947.db2.gz DNCWIHRWFJCZSK-ZDUSSCGKSA-N 1 2 261.369 2.412 10 30 CEEELO N#Cc1cc(Cn2cc[nH+]c2-c2ccc(N)cc2)ccn1 ZINC000068755266 526556408 /nfs/dbraw/zinc/55/64/08/526556408.db2.gz RAUUTOFWOJXLDX-UHFFFAOYSA-N 1 2 275.315 2.447 10 30 CEEELO CC1(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000330284288 527898573 /nfs/dbraw/zinc/89/85/73/527898573.db2.gz XGKGHVUSVGKBAU-LBPRGKRZSA-N 1 2 262.357 2.062 10 30 CEEELO CC1(C[NH+]=C([O-])N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000330284288 527898580 /nfs/dbraw/zinc/89/85/80/527898580.db2.gz XGKGHVUSVGKBAU-LBPRGKRZSA-N 1 2 262.357 2.062 10 30 CEEELO C#CCOCCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000154143655 640813062 /nfs/dbraw/zinc/81/30/62/640813062.db2.gz JJKCXVDQWXYNBG-CQSZACIVSA-N 1 2 297.358 2.089 10 30 CEEELO CC#CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121499066 365575736 /nfs/dbraw/zinc/57/57/36/365575736.db2.gz KQQBFIZJUMXMOG-SMDDNHRTSA-N 1 2 251.276 2.096 10 30 CEEELO CC#CC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121499066 365575740 /nfs/dbraw/zinc/57/57/40/365575740.db2.gz KQQBFIZJUMXMOG-SMDDNHRTSA-N 1 2 251.276 2.096 10 30 CEEELO CCOC(=O)CCC/[NH+]=C/c1ccc2c(c1)OCO2 ZINC000135833487 344383157 /nfs/dbraw/zinc/38/31/57/344383157.db2.gz IXFFGRALQNHJQS-OQLLNIDSSA-N 1 2 263.293 2.178 10 30 CEEELO CCCc1n[nH]cc1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328634000 344757207 /nfs/dbraw/zinc/75/72/07/344757207.db2.gz SZZPITAKIRVBFB-NSHDSACASA-N 1 2 287.367 2.126 10 30 CEEELO Cc1noc(C)c1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328641442 344757214 /nfs/dbraw/zinc/75/72/14/344757214.db2.gz XWMKDCMARIDPNN-NSHDSACASA-N 1 2 274.324 2.055 10 30 CEEELO Cc1ccc(NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000328632788 344757256 /nfs/dbraw/zinc/75/72/56/344757256.db2.gz SERSERSCUGDMKU-GFCCVEGCSA-N 1 2 285.351 2.175 10 30 CEEELO CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)Nc1ccccn1 ZINC000328633661 344757576 /nfs/dbraw/zinc/75/75/76/344757576.db2.gz SSOAFBVMEUZIRY-GFCCVEGCSA-N 1 2 285.351 2.018 10 30 CEEELO COc1cc(OC)c(C[NH2+][C@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000061891801 362697625 /nfs/dbraw/zinc/69/76/25/362697625.db2.gz OOKCLRWSYBNGLW-FZMZJTMJSA-N 1 2 290.363 2.494 10 30 CEEELO COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000061891484 362697694 /nfs/dbraw/zinc/69/76/94/362697694.db2.gz PMEDTCKTMCHQOV-BXUZGUMPSA-N 1 2 260.337 2.486 10 30 CEEELO Cc1[nH]ncc1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037302 179221576 /nfs/dbraw/zinc/22/15/76/179221576.db2.gz ORZOOTOLGASBNB-UHFFFAOYSA-N 1 2 266.348 2.432 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCCSC[C@H](C)CO ZINC000091258202 180115561 /nfs/dbraw/zinc/11/55/61/180115561.db2.gz GVNXHRQGFQCRQI-OLZOCXBDSA-N 1 2 258.431 2.410 10 30 CEEELO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000091748626 180244703 /nfs/dbraw/zinc/24/47/03/180244703.db2.gz LIGOLOQIJGJQKM-SNVBAGLBSA-N 1 2 270.163 2.291 10 30 CEEELO Cc1cc(-n2c(CC#N)nc3ccccc32)nc(C)[nH+]1 ZINC000110949557 186336060 /nfs/dbraw/zinc/33/60/60/186336060.db2.gz MKOKNSRPOCRPAT-UHFFFAOYSA-N 1 2 263.304 2.498 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCSc1nnc(N(C)C)s1 ZINC000111316617 186396009 /nfs/dbraw/zinc/39/60/09/186396009.db2.gz PIOSYBOXHRZXKD-GFCCVEGCSA-N 1 2 299.469 2.368 10 30 CEEELO N#Cc1cnc2ccccc2c1N1CCn2cc[nH+]c2C1 ZINC000062255485 283243479 /nfs/dbraw/zinc/24/34/79/283243479.db2.gz ZLSFCWQLEPDGRU-UHFFFAOYSA-N 1 2 275.315 2.323 10 30 CEEELO C#CCOc1ccccc1C[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000177593324 189059176 /nfs/dbraw/zinc/05/91/76/189059176.db2.gz ZQYMOEOZRXTJMB-HNNXBMFYSA-N 1 2 296.374 2.223 10 30 CEEELO Cc1cc(N(C)C[C@H]2CCC[C@H]2O)c(C#N)c(C)[nH+]1 ZINC000301820060 201215486 /nfs/dbraw/zinc/21/54/86/201215486.db2.gz GECFESHFXPDNFE-IUODEOHRSA-N 1 2 259.353 2.167 10 30 CEEELO N#Cc1c(Cl)cccc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000110259125 364720776 /nfs/dbraw/zinc/72/07/76/364720776.db2.gz UGTPUOACLADDAR-GFCCVEGCSA-N 1 2 291.782 2.123 10 30 CEEELO Cc1cc(N2CCC[C@@H]([C@H](C)O)C2)c(C#N)c(C)[nH+]1 ZINC000301772074 379303452 /nfs/dbraw/zinc/30/34/52/379303452.db2.gz JWFKNNZCDGBZOL-QWHCGFSZSA-N 1 2 259.353 2.167 10 30 CEEELO C[NH2+][C@@]1(C#N)CCC[C@@H](Sc2cc(C)nn2C)C1 ZINC000093747364 184711655 /nfs/dbraw/zinc/71/16/55/184711655.db2.gz LZUSBHFMNNZSPH-YPMHNXCESA-N 1 2 264.398 2.245 10 30 CEEELO CC[N@@H+](Cc1ccc(C#CCO)s1)C[C@@H](C)C#N ZINC000043679947 175090458 /nfs/dbraw/zinc/09/04/58/175090458.db2.gz PWJDSLFQCDHOES-LBPRGKRZSA-N 1 2 262.378 2.073 10 30 CEEELO CC[N@H+](Cc1ccc(C#CCO)s1)C[C@@H](C)C#N ZINC000043679947 175090459 /nfs/dbraw/zinc/09/04/59/175090459.db2.gz PWJDSLFQCDHOES-LBPRGKRZSA-N 1 2 262.378 2.073 10 30 CEEELO CCC[C@@H](C#N)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000044809220 175257627 /nfs/dbraw/zinc/25/76/27/175257627.db2.gz ALNDGTFXNSCGJL-JKSUJKDBSA-N 1 2 285.391 2.442 10 30 CEEELO CCC[C@@H](C#N)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000044809220 175257629 /nfs/dbraw/zinc/25/76/29/175257629.db2.gz ALNDGTFXNSCGJL-JKSUJKDBSA-N 1 2 285.391 2.442 10 30 CEEELO CCCO[C@H]1CCC[N@H+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045183273 175325358 /nfs/dbraw/zinc/32/53/58/175325358.db2.gz SSNARZQCOPMQDG-IRXDYDNUSA-N 1 2 287.407 2.255 10 30 CEEELO CCCO[C@H]1CCC[N@@H+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045183273 175325359 /nfs/dbraw/zinc/32/53/59/175325359.db2.gz SSNARZQCOPMQDG-IRXDYDNUSA-N 1 2 287.407 2.255 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCSc1nnc(C)s1 ZINC000045220014 175329950 /nfs/dbraw/zinc/32/99/50/175329950.db2.gz VWYQCWYOTMKUFM-JTQLQIEISA-N 1 2 256.400 2.221 10 30 CEEELO C[C@](C#N)(CCCn1cc(Br)cn1)[NH2+]C1CC1 ZINC000045322308 175359753 /nfs/dbraw/zinc/35/97/53/175359753.db2.gz AZQONJIZVLXDKZ-GFCCVEGCSA-N 1 2 297.200 2.460 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCn1ccc(C(F)(F)F)n1 ZINC000045322867 175359911 /nfs/dbraw/zinc/35/99/11/175359911.db2.gz PCAHABTVYMBBDE-JTQLQIEISA-N 1 2 260.263 2.184 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCn1ccc(C(F)(F)F)n1 ZINC000062440587 519985236 /nfs/dbraw/zinc/98/52/36/519985236.db2.gz XYNYBVKVGGAVBO-SECBINFHSA-N 1 2 260.263 2.184 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1cccc(N(C)C)c1 ZINC000062449442 520061842 /nfs/dbraw/zinc/06/18/42/520061842.db2.gz QHLMFGVRYCMXRV-ZDUSSCGKSA-N 1 2 261.369 2.413 10 30 CEEELO CC1(C)COCC[N@@H+]1Cc1ccc(F)cc1C#CCCO ZINC000049614871 520504592 /nfs/dbraw/zinc/50/45/92/520504592.db2.gz LOYDMCJYVOKMKV-UHFFFAOYSA-N 1 2 291.366 2.170 10 30 CEEELO CC1(C)COCC[N@H+]1Cc1ccc(F)cc1C#CCCO ZINC000049614871 520504599 /nfs/dbraw/zinc/50/45/99/520504599.db2.gz LOYDMCJYVOKMKV-UHFFFAOYSA-N 1 2 291.366 2.170 10 30 CEEELO C[NH2+][C@](C)(C#N)CCn1nc(C)c(Br)c1C ZINC000050594752 522511975 /nfs/dbraw/zinc/51/19/75/522511975.db2.gz APOJZGPKDKXZHJ-NSHDSACASA-N 1 2 285.189 2.154 10 30 CEEELO C[C@@H]1CCc2ccccc2N1C[C@@]([NH3+])(C#N)C1CC1 ZINC000069075421 524729855 /nfs/dbraw/zinc/72/98/55/524729855.db2.gz DGYXFZVMJNATCV-WBMJQRKESA-N 1 2 255.365 2.459 10 30 CEEELO O=C(CC1(O)CCCC1)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328635429 344757429 /nfs/dbraw/zinc/75/74/29/344757429.db2.gz USMYIWMSLQIPKO-GFCCVEGCSA-N 1 2 277.368 2.097 10 30 CEEELO N#Cc1cccc(C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000328642274 344758118 /nfs/dbraw/zinc/75/81/18/344758118.db2.gz YJTXAYVMSUJUFM-CYBMUJFWSA-N 1 2 280.331 2.322 10 30 CEEELO Cc1ncsc1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328620089 344755499 /nfs/dbraw/zinc/75/54/99/344755499.db2.gz GQJVQGIDNYUJPI-JTQLQIEISA-N 1 2 276.365 2.215 10 30 CEEELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1ccc(C#N)cc1 ZINC000328628526 344756199 /nfs/dbraw/zinc/75/61/99/344756199.db2.gz NUEVNUFPOLZQQN-AWEZNQCLSA-N 1 2 294.358 2.089 10 30 CEEELO C[C@@H](C[C@@](C)([NH3+])C#N)Oc1ccc([N+](=O)[O-])cc1F ZINC000084304854 178850975 /nfs/dbraw/zinc/85/09/75/178850975.db2.gz VFOZHDZMEQTTAL-QPUJVOFHSA-N 1 2 267.260 2.132 10 30 CEEELO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cccc(C#N)c2)C1 ZINC000616631989 348541180 /nfs/dbraw/zinc/54/11/80/348541180.db2.gz KXZVYRXYMUWXIV-AWEZNQCLSA-N 1 2 287.363 2.440 10 30 CEEELO CC(C)[NH2+][C@@](C#N)(CS[C@H](C)CCO)C1CC1 ZINC000091266576 180117089 /nfs/dbraw/zinc/11/70/89/180117089.db2.gz INZXKAASHDPGCV-YPMHNXCESA-N 1 2 256.415 2.161 10 30 CEEELO N#Cc1cc(C[N@H+]2Cc3ccc(N)cc3C2)ccn1 ZINC000091500858 180174942 /nfs/dbraw/zinc/17/49/42/180174942.db2.gz GNUMHUOAKRCMGG-UHFFFAOYSA-N 1 2 250.305 2.051 10 30 CEEELO N#Cc1cc(C[N@@H+]2Cc3ccc(N)cc3C2)ccn1 ZINC000091500858 180174943 /nfs/dbraw/zinc/17/49/43/180174943.db2.gz GNUMHUOAKRCMGG-UHFFFAOYSA-N 1 2 250.305 2.051 10 30 CEEELO CSC1(C#N)CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000091471461 180165529 /nfs/dbraw/zinc/16/55/29/180165529.db2.gz SJDGEUPDEAFFNL-UHFFFAOYSA-N 1 2 272.377 2.174 10 30 CEEELO C=C(Cl)CN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000105911154 186088590 /nfs/dbraw/zinc/08/85/90/186088590.db2.gz ROEDPUOHILXTFD-UHFFFAOYSA-N 1 2 271.817 2.322 10 30 CEEELO C#CC[NH2+]Cc1nc(-c2nccc3ccccc32)no1 ZINC000092481514 180394939 /nfs/dbraw/zinc/39/49/39/180394939.db2.gz PXTNIFNXGZUIDL-UHFFFAOYSA-N 1 2 264.288 2.008 10 30 CEEELO CCC[C@H](C#N)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000109458078 186253709 /nfs/dbraw/zinc/25/37/09/186253709.db2.gz RROZWWRFYXDBDI-GOSISDBHSA-N 1 2 281.403 2.348 10 30 CEEELO CCC[NH2+][C@](C)(C#N)Cn1c2ccccc2nc1CC#N ZINC000110952304 186337161 /nfs/dbraw/zinc/33/71/61/186337161.db2.gz WBWUEIYJXCHMMD-MRXNPFEDSA-N 1 2 281.363 2.384 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCCOCCOCCC ZINC000111110212 186353336 /nfs/dbraw/zinc/35/33/36/186353336.db2.gz WGUZAVRHHROLNQ-AWEZNQCLSA-N 1 2 256.390 2.492 10 30 CEEELO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)n2c1 ZINC000091978931 283201310 /nfs/dbraw/zinc/20/13/10/283201310.db2.gz QFJMPLQYXZXZLX-JKSUJKDBSA-N 1 2 296.374 2.349 10 30 CEEELO N#Cc1ccc2ncc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)n2c1 ZINC000091978931 283201312 /nfs/dbraw/zinc/20/13/12/283201312.db2.gz QFJMPLQYXZXZLX-JKSUJKDBSA-N 1 2 296.374 2.349 10 30 CEEELO N#CCCCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000171037985 367466092 /nfs/dbraw/zinc/46/60/92/367466092.db2.gz GXXPHWHYRJDNCG-NSHDSACASA-N 1 2 251.355 2.210 10 30 CEEELO N#CCCCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000171037985 367466096 /nfs/dbraw/zinc/46/60/96/367466096.db2.gz GXXPHWHYRJDNCG-NSHDSACASA-N 1 2 251.355 2.210 10 30 CEEELO N#CCCC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195510275 370135086 /nfs/dbraw/zinc/13/50/86/370135086.db2.gz PDXJREFNLVPTDM-CYBMUJFWSA-N 1 2 273.384 2.445 10 30 CEEELO N#CCCC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195510275 370135091 /nfs/dbraw/zinc/13/50/91/370135091.db2.gz PDXJREFNLVPTDM-CYBMUJFWSA-N 1 2 273.384 2.445 10 30 CEEELO CC[NH2+][C@]1(C#N)CCC[C@H](OC[C@@H]2CCCCO2)C1 ZINC000093745286 184711601 /nfs/dbraw/zinc/71/16/01/184711601.db2.gz WKLZOEMJPVWVSG-SOUVJXGZSA-N 1 2 266.385 2.387 10 30 CEEELO CCC[NH2+][C@@]1(C#N)CC[C@@H](Sc2nnc(C)o2)C1 ZINC000093806752 184723931 /nfs/dbraw/zinc/72/39/31/184723931.db2.gz OOKCKZWDXGWOPB-PWSUYJOCSA-N 1 2 266.370 2.285 10 30 CEEELO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC(C)(C)O1 ZINC000343739159 395044600 /nfs/dbraw/zinc/04/46/00/395044600.db2.gz KFYVVIQQMOZMNF-AWEZNQCLSA-N 1 2 292.354 2.323 10 30 CEEELO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC(C)(C)O1 ZINC000343739159 395044604 /nfs/dbraw/zinc/04/46/04/395044604.db2.gz KFYVVIQQMOZMNF-AWEZNQCLSA-N 1 2 292.354 2.323 10 30 CEEELO COc1ccc(N[C@@]2(C#N)C[NH+]3CCC2CC3)cc1 ZINC000037936613 173876874 /nfs/dbraw/zinc/87/68/74/173876874.db2.gz DTHXDARKHODHTK-HNNXBMFYSA-N 1 2 257.337 2.095 10 30 CEEELO N#Cc1c(C[NH+]2CCCC2)c(C=O)n2ccccc12 ZINC000038342355 174140069 /nfs/dbraw/zinc/14/00/69/174140069.db2.gz CHCDOFFKWXWABQ-UHFFFAOYSA-N 1 2 253.305 2.219 10 30 CEEELO CCCN[C@@](C)(C#N)C[N@H+](CCOC)[C@@H](C)CC ZINC000045177555 175323463 /nfs/dbraw/zinc/32/34/63/175323463.db2.gz WFEFFRWZBIEGCB-KBPBESRZSA-N 1 2 255.406 2.015 10 30 CEEELO CCCN[C@@](C)(C#N)C[N@@H+](CCOC)[C@@H](C)CC ZINC000045177555 175323464 /nfs/dbraw/zinc/32/34/64/175323464.db2.gz WFEFFRWZBIEGCB-KBPBESRZSA-N 1 2 255.406 2.015 10 30 CEEELO CCC(CC)[N@H+](CCOC)C[C@@](C)(C#N)NC1CC1 ZINC000045177830 175323940 /nfs/dbraw/zinc/32/39/40/175323940.db2.gz OMQDPUCFWVTKLE-OAHLLOKOSA-N 1 2 267.417 2.158 10 30 CEEELO CCC(CC)[N@@H+](CCOC)C[C@@](C)(C#N)NC1CC1 ZINC000045177830 175323941 /nfs/dbraw/zinc/32/39/41/175323941.db2.gz OMQDPUCFWVTKLE-OAHLLOKOSA-N 1 2 267.417 2.158 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCSc1nncs1 ZINC000045219304 175329936 /nfs/dbraw/zinc/32/99/36/175329936.db2.gz DCNFBZVOLYPCAB-SNVBAGLBSA-N 1 2 256.400 2.301 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCCOC1CCOCC1 ZINC000045332034 175360168 /nfs/dbraw/zinc/36/01/68/175360168.db2.gz CQJQHQOBHYKLQY-AWEZNQCLSA-N 1 2 254.374 2.242 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCCOC[C@H]1CCOC1 ZINC000045332113 175360424 /nfs/dbraw/zinc/36/04/24/175360424.db2.gz MGUZDOSXUQEURU-ZIAGYGMSSA-N 1 2 254.374 2.100 10 30 CEEELO CN1CC[N@@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1C#N ZINC000336485338 290055277 /nfs/dbraw/zinc/05/52/77/290055277.db2.gz QCWBPZYFOCTAEE-GOEBONIOSA-N 1 2 255.365 2.204 10 30 CEEELO CN1CC[N@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1C#N ZINC000336485338 290055279 /nfs/dbraw/zinc/05/52/79/290055279.db2.gz QCWBPZYFOCTAEE-GOEBONIOSA-N 1 2 255.365 2.204 10 30 CEEELO C#CC[N@@H+](Cc1nnc(C(C)C)n1C)C1CCCC1 ZINC000176390139 333041671 /nfs/dbraw/zinc/04/16/71/333041671.db2.gz KIOKKCKXFFWXSM-UHFFFAOYSA-N 1 2 260.385 2.316 10 30 CEEELO C#CC[N@H+](Cc1nnc(C(C)C)n1C)C1CCCC1 ZINC000176390139 333041673 /nfs/dbraw/zinc/04/16/73/333041673.db2.gz KIOKKCKXFFWXSM-UHFFFAOYSA-N 1 2 260.385 2.316 10 30 CEEELO CCNc1ccc(C[N@H+](C)CCC#N)cc1[N+](=O)[O-] ZINC000050791746 520299644 /nfs/dbraw/zinc/29/96/44/520299644.db2.gz KBAYOJKNAVUOGX-UHFFFAOYSA-N 1 2 262.313 2.372 10 30 CEEELO CCNc1ccc(C[N@@H+](C)CCC#N)cc1[N+](=O)[O-] ZINC000050791746 520299650 /nfs/dbraw/zinc/29/96/50/520299650.db2.gz KBAYOJKNAVUOGX-UHFFFAOYSA-N 1 2 262.313 2.372 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000062448746 519984454 /nfs/dbraw/zinc/98/44/54/519984454.db2.gz IMALFGVKCPCGMC-LLVKDONJSA-N 1 2 281.287 2.395 10 30 CEEELO CCN[C@@H](C#N)CCn1cc[nH+]c1-c1ccccc1 ZINC000062440405 520058261 /nfs/dbraw/zinc/05/82/61/520058261.db2.gz SRLNYRUUXGQBHO-CQSZACIVSA-N 1 2 254.337 2.442 10 30 CEEELO CC1(C)Cc2cccc(OC[C@]([NH3+])(C#N)C3CC3)c2O1 ZINC000069086965 520583993 /nfs/dbraw/zinc/58/39/93/520583993.db2.gz JKSWQBMGZQNMQB-MRXNPFEDSA-N 1 2 272.348 2.410 10 30 CEEELO CNc1[nH+]cccc1COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000052755739 522708774 /nfs/dbraw/zinc/70/87/74/522708774.db2.gz AXLKKSCUUIHSAM-UHFFFAOYSA-N 1 2 284.275 2.482 10 30 CEEELO C[C@H](N(C)c1cc[nH+]c(/C(N)=N/O)c1)C(C)(C)C ZINC000061813799 524818557 /nfs/dbraw/zinc/81/85/57/524818557.db2.gz IJYKTHXMTDLMEK-VIFPVBQESA-N 1 2 250.346 2.047 10 30 CEEELO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@]([NH3+])(C#N)C1CC1 ZINC000069089360 525557615 /nfs/dbraw/zinc/55/76/15/525557615.db2.gz AYKDXIUCZLIPDW-CQSZACIVSA-N 1 2 275.308 2.222 10 30 CEEELO N#CC1([NH2+]C[C@@H]2CCCO2)C2CC3CC(C2)CC1C3 ZINC000055026490 526438819 /nfs/dbraw/zinc/43/88/19/526438819.db2.gz UCQPUQMIAPXGBP-CGAUPDFVSA-N 1 2 260.381 2.473 10 30 CEEELO N#C[C@@H]([NH3+])CSc1cccc(Br)c1 ZINC000055309189 526495358 /nfs/dbraw/zinc/49/53/58/526495358.db2.gz GKMCMVHXCMGOCV-MRVPVSSYSA-N 1 2 257.156 2.392 10 30 CEEELO N#C[C@H](C[N@@H+]1CC[C@@H](c2ccccc2)C1)NC1CC1 ZINC000050601025 526508673 /nfs/dbraw/zinc/50/86/73/526508673.db2.gz FCVMLOUFXRUQRO-GDBMZVCRSA-N 1 2 255.365 2.120 10 30 CEEELO N#C[C@H](C[N@H+]1CC[C@@H](c2ccccc2)C1)NC1CC1 ZINC000050601025 526508678 /nfs/dbraw/zinc/50/86/78/526508678.db2.gz FCVMLOUFXRUQRO-GDBMZVCRSA-N 1 2 255.365 2.120 10 30 CEEELO N#C[C@]([NH3+])(Cn1ccnc1-c1ccccc1)C1CC1 ZINC000069084388 526515091 /nfs/dbraw/zinc/51/50/91/526515091.db2.gz ARGSCVLTOCWKNL-HNNXBMFYSA-N 1 2 252.321 2.181 10 30 CEEELO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)nn1 ZINC000156748463 526667894 /nfs/dbraw/zinc/66/78/94/526667894.db2.gz KKIILUNDRZMZQB-UHFFFAOYSA-N 1 2 276.303 2.337 10 30 CEEELO NC(=NOCc1ccccc1)c1[nH+]cn(C2CCCC2)c1N ZINC000005974545 526813042 /nfs/dbraw/zinc/81/30/42/526813042.db2.gz LAOQZNHHPXICMG-UHFFFAOYSA-N 1 2 299.378 2.418 10 30 CEEELO Cc1ccnc(NC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000328619943 344755521 /nfs/dbraw/zinc/75/55/21/344755521.db2.gz GMZKWYVITHSGLK-CYBMUJFWSA-N 1 2 299.378 2.326 10 30 CEEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)c1cccc2[nH]cnc21 ZINC000328621927 344755562 /nfs/dbraw/zinc/75/55/62/344755562.db2.gz IBFYKHZVJAFPAS-LLVKDONJSA-N 1 2 295.346 2.327 10 30 CEEELO COc1ccc(OC)c(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000061891485 362697659 /nfs/dbraw/zinc/69/76/59/362697659.db2.gz PMEDTCKTMCHQOV-RISCZKNCSA-N 1 2 260.337 2.486 10 30 CEEELO COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000130384367 365950404 /nfs/dbraw/zinc/95/04/04/365950404.db2.gz GXTRYHYULZAMCO-VXGBXAGGSA-N 1 2 260.337 2.176 10 30 CEEELO CCC[C@H](C)NC(=O)C[NH+]1CCC(C#N)(SC)CC1 ZINC000091475011 180165680 /nfs/dbraw/zinc/16/56/80/180165680.db2.gz QJRQDJADKJXIQJ-LBPRGKRZSA-N 1 2 283.441 2.012 10 30 CEEELO C=C(C)CN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000105911087 186088676 /nfs/dbraw/zinc/08/86/76/186088676.db2.gz AKAVYVWLQDSJHF-UHFFFAOYSA-N 1 2 251.399 2.145 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCCCO[C@H]1CCOC1 ZINC000110531159 186302096 /nfs/dbraw/zinc/30/20/96/186302096.db2.gz CKAUWOMDGBJFDO-KBPBESRZSA-N 1 2 254.374 2.242 10 30 CEEELO Cc1cc(N2CCC[C@](C)(CO)C2)c(C#N)c(C)[nH+]1 ZINC000132622538 366157578 /nfs/dbraw/zinc/15/75/78/366157578.db2.gz RPQALDLACAMRQY-HNNXBMFYSA-N 1 2 259.353 2.169 10 30 CEEELO CC#CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160079171 395060410 /nfs/dbraw/zinc/06/04/10/395060410.db2.gz SHFCWFUTHQLTNC-ZDUSSCGKSA-N 1 2 258.369 2.165 10 30 CEEELO CC#CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160079171 395060412 /nfs/dbraw/zinc/06/04/12/395060412.db2.gz SHFCWFUTHQLTNC-ZDUSSCGKSA-N 1 2 258.369 2.165 10 30 CEEELO CCN[C@](C#N)(C[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000045178159 175324159 /nfs/dbraw/zinc/32/41/59/175324159.db2.gz FMVSXOOYBAOGCN-GOEBONIOSA-N 1 2 257.381 2.499 10 30 CEEELO CCN[C@](C#N)(C[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000045178159 175324160 /nfs/dbraw/zinc/32/41/60/175324160.db2.gz FMVSXOOYBAOGCN-GOEBONIOSA-N 1 2 257.381 2.499 10 30 CEEELO CC[C@@H](C)[N@H+](CCOC)C[C@@](N)(C#N)c1ccccc1 ZINC000045182698 175325534 /nfs/dbraw/zinc/32/55/34/175325534.db2.gz KLYFDFNTAFCCII-ZBFHGGJFSA-N 1 2 275.396 2.111 10 30 CEEELO CC[C@@H](C)[N@@H+](CCOC)C[C@@](N)(C#N)c1ccccc1 ZINC000045182698 175325536 /nfs/dbraw/zinc/32/55/36/175325536.db2.gz KLYFDFNTAFCCII-ZBFHGGJFSA-N 1 2 275.396 2.111 10 30 CEEELO N#C[C@](Cn1cc[nH+]c1)(NC1CC1)c1ccccc1 ZINC000045183636 175326266 /nfs/dbraw/zinc/32/62/66/175326266.db2.gz BDNXRFUKONANBP-OAHLLOKOSA-N 1 2 252.321 2.054 10 30 CEEELO C[NH2+][C@](C)(C#N)CCCOc1ccc([N+](=O)[O-])cc1F ZINC000045331625 175360310 /nfs/dbraw/zinc/36/03/10/175360310.db2.gz SRMDSNYLBLONKR-ZDUSSCGKSA-N 1 2 281.287 2.395 10 30 CEEELO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CCC(C)(C)C2)CC1 ZINC000335690474 282025089 /nfs/dbraw/zinc/02/50/89/282025089.db2.gz HEWIXWADEVWFKC-CYBMUJFWSA-N 1 2 292.427 2.194 10 30 CEEELO CN(C)/C=C/C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000253572048 328115726 /nfs/dbraw/zinc/11/57/26/328115726.db2.gz PSIDXGYVLBMTTQ-FNORWQNLSA-N 1 2 286.291 2.039 10 30 CEEELO CCN[C@H](C#N)CCn1cc[nH+]c1-c1ccccc1 ZINC000062440404 520161782 /nfs/dbraw/zinc/16/17/82/520161782.db2.gz SRLNYRUUXGQBHO-AWEZNQCLSA-N 1 2 254.337 2.442 10 30 CEEELO CNc1cc(COc2ccc(C#N)cc2[N+](=O)[O-])cc[nH+]1 ZINC000052755743 522567746 /nfs/dbraw/zinc/56/77/46/522567746.db2.gz UKFYPKBULXWGQP-UHFFFAOYSA-N 1 2 284.275 2.482 10 30 CEEELO N#C[C@@]([NH3+])(CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000069089699 526503726 /nfs/dbraw/zinc/50/37/26/526503726.db2.gz LIAGKEOZDREYFT-GFCCVEGCSA-N 1 2 263.322 2.318 10 30 CEEELO N#C[C@H]([NH3+])CCSc1ccc(C(F)(F)F)cn1 ZINC000062454062 526508750 /nfs/dbraw/zinc/50/87/50/526508750.db2.gz SSENOZGGARRKEQ-MRVPVSSYSA-N 1 2 261.272 2.433 10 30 CEEELO Cc1cc(N2CCC([C@@H](C)O)CC2)c(C#N)c(C)[nH+]1 ZINC000227593639 136387966 /nfs/dbraw/zinc/38/79/66/136387966.db2.gz JQZMUFCOLXGSMO-GFCCVEGCSA-N 1 2 259.353 2.167 10 30 CEEELO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000328628798 344756529 /nfs/dbraw/zinc/75/65/29/344756529.db2.gz ODQDKLSPEOGRIW-KGYLQXTDSA-N 1 2 259.353 2.448 10 30 CEEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000061892546 362697361 /nfs/dbraw/zinc/69/73/61/362697361.db2.gz FLOONHDNAFVCMK-NXEZZACHSA-N 1 2 251.311 2.438 10 30 CEEELO CCC(C)(C)NC(=O)C[NH+]1CCC(C#N)(SC)CC1 ZINC000091474031 180165368 /nfs/dbraw/zinc/16/53/68/180165368.db2.gz RCHLVOJWRWFZMB-UHFFFAOYSA-N 1 2 283.441 2.012 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCCCO[C@@H]1CCOC1 ZINC000110531157 186301663 /nfs/dbraw/zinc/30/16/63/186301663.db2.gz CKAUWOMDGBJFDO-ZIAGYGMSSA-N 1 2 254.374 2.242 10 30 CEEELO CCC[NH2+][C@H](C#N)CCn1c2ccccc2nc1CC#N ZINC000110952209 186336964 /nfs/dbraw/zinc/33/69/64/186336964.db2.gz XZBOAHXIYYJKOQ-ZDUSSCGKSA-N 1 2 281.363 2.384 10 30 CEEELO Cc1cc(NCC2(O)CCSCC2)c(C#N)c(C)[nH+]1 ZINC000301771316 201185514 /nfs/dbraw/zinc/18/55/14/201185514.db2.gz JEVSELMQOVGPAX-UHFFFAOYSA-N 1 2 277.393 2.240 10 30 CEEELO C[C@H]1CCC[C@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C1 ZINC000336074648 365372947 /nfs/dbraw/zinc/37/29/47/365372947.db2.gz KPSIZKDPQFRLGD-KBPBESRZSA-N 1 2 292.427 2.194 10 30 CEEELO C#CC[NH+]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302802090 379456600 /nfs/dbraw/zinc/45/66/00/379456600.db2.gz CVEMVAPHUQLKHZ-UHFFFAOYSA-N 1 2 293.754 2.312 10 30 CEEELO CCn1cc([C@H]2C[N@H+](Cc3cccc(C#N)c3)CCO2)cn1 ZINC000191701834 130280790 /nfs/dbraw/zinc/28/07/90/130280790.db2.gz DONXBXXKFAGHSB-QGZVFWFLSA-N 1 2 296.374 2.348 10 30 CEEELO CCn1cc([C@H]2C[N@@H+](Cc3cccc(C#N)c3)CCO2)cn1 ZINC000191701834 130280793 /nfs/dbraw/zinc/28/07/93/130280793.db2.gz DONXBXXKFAGHSB-QGZVFWFLSA-N 1 2 296.374 2.348 10 30 CEEELO CC[C@@H](C)[N@H+](CCOC)C[C@@](C)(C#N)NC(C)C ZINC000045177557 175323307 /nfs/dbraw/zinc/32/33/07/175323307.db2.gz UYYSGZNSRPFDQE-ZIAGYGMSSA-N 1 2 255.406 2.014 10 30 CEEELO CC[C@@H](C)[N@@H+](CCOC)C[C@@](C)(C#N)NC(C)C ZINC000045177557 175323308 /nfs/dbraw/zinc/32/33/08/175323308.db2.gz UYYSGZNSRPFDQE-ZIAGYGMSSA-N 1 2 255.406 2.014 10 30 CEEELO CN[C@](C)(C#N)CCn1cc[nH+]c1-c1ccccc1 ZINC000045207075 175328249 /nfs/dbraw/zinc/32/82/49/175328249.db2.gz GAXWUESBYPNTPN-HNNXBMFYSA-N 1 2 254.337 2.442 10 30 CEEELO CCC[NH2+][C@](C)(C#N)CCOC[C@H]1CCCCO1 ZINC000045208412 175328665 /nfs/dbraw/zinc/32/86/65/175328665.db2.gz HGQHTRIFUJSVBY-KGLIPLIRSA-N 1 2 254.374 2.244 10 30 CEEELO C[C@@]([NH3+])(C#N)CCOc1cccc2c1OC(C)(C)C2 ZINC000045210680 175328850 /nfs/dbraw/zinc/32/88/50/175328850.db2.gz GRTKLEJMOPZILL-HNNXBMFYSA-N 1 2 260.337 2.410 10 30 CEEELO CCCc1cc(=O)[nH]c(SCCCC[C@](C)([NH3+])C#N)n1 ZINC000045364256 175362572 /nfs/dbraw/zinc/36/25/72/175362572.db2.gz QMPJVWOYPWMBPZ-AWEZNQCLSA-N 1 2 294.424 2.226 10 30 CEEELO COc1ccc2c(c1)[C@@H](C#N)N(CCCn1cc[nH+]c1)C2=O ZINC000071678537 176243840 /nfs/dbraw/zinc/24/38/40/176243840.db2.gz HYWYTRPKHOSOMB-OAHLLOKOSA-N 1 2 296.330 2.002 10 30 CEEELO C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000336427265 227003858 /nfs/dbraw/zinc/00/38/58/227003858.db2.gz UIXIIWUPDIOLPV-KBPBESRZSA-N 1 2 292.427 2.194 10 30 CEEELO CC[N@H+](CC1CC1)C[C@](C#N)(NC)c1ccccc1 ZINC000069239372 520957284 /nfs/dbraw/zinc/95/72/84/520957284.db2.gz MBALEXQWFRIPKJ-INIZCTEOSA-N 1 2 257.381 2.357 10 30 CEEELO CC[N@@H+](CC1CC1)C[C@](C#N)(NC)c1ccccc1 ZINC000069239372 520957290 /nfs/dbraw/zinc/95/72/90/520957290.db2.gz MBALEXQWFRIPKJ-INIZCTEOSA-N 1 2 257.381 2.357 10 30 CEEELO CN[C@@](C#N)(Cn1cc[nH+]c1-c1ccccc1)C1CC1 ZINC000069084385 522406873 /nfs/dbraw/zinc/40/68/73/522406873.db2.gz GTAFNELFPIHDBQ-INIZCTEOSA-N 1 2 266.348 2.442 10 30 CEEELO C[N@H+](Cc1ccccn1)Cc1ccc(C#CCO)cc1F ZINC000049618625 523397333 /nfs/dbraw/zinc/39/73/33/523397333.db2.gz OIGPSDLRGBIGDX-UHFFFAOYSA-N 1 2 284.334 2.197 10 30 CEEELO C[N@@H+](Cc1ccccn1)Cc1ccc(C#CCO)cc1F ZINC000049618625 523397338 /nfs/dbraw/zinc/39/73/38/523397338.db2.gz OIGPSDLRGBIGDX-UHFFFAOYSA-N 1 2 284.334 2.197 10 30 CEEELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(C#N)c1)C2 ZINC000220614530 344538253 /nfs/dbraw/zinc/53/82/53/344538253.db2.gz IZYMWUWSONZMDH-GFCCVEGCSA-N 1 2 280.331 2.333 10 30 CEEELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(C#N)c1)CC2 ZINC000220614530 344538256 /nfs/dbraw/zinc/53/82/56/344538256.db2.gz IZYMWUWSONZMDH-GFCCVEGCSA-N 1 2 280.331 2.333 10 30 CEEELO N#Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)ccn1 ZINC000227105840 344551870 /nfs/dbraw/zinc/55/18/70/344551870.db2.gz IPAAMXZZCUYZFC-CABCVRRESA-N 1 2 257.337 2.097 10 30 CEEELO N#Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)ccn1 ZINC000227105840 344551872 /nfs/dbraw/zinc/55/18/72/344551872.db2.gz IPAAMXZZCUYZFC-CABCVRRESA-N 1 2 257.337 2.097 10 30 CEEELO Cc1ccc(NC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000328640984 344757143 /nfs/dbraw/zinc/75/71/43/344757143.db2.gz XSKINVVUNGHIJT-CYBMUJFWSA-N 1 2 299.378 2.326 10 30 CEEELO Cc1ccc(NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000328625764 344756735 /nfs/dbraw/zinc/75/67/35/344756735.db2.gz KZHOVOPUJDVPDL-GFCCVEGCSA-N 1 2 285.351 2.175 10 30 CEEELO N#Cc1ccc(NC(=O)Cc2cccc3[nH+]ccn32)cc1 ZINC000584605575 344963755 /nfs/dbraw/zinc/96/37/55/344963755.db2.gz UTSNDWAYHHSMKI-UHFFFAOYSA-N 1 2 276.299 2.387 10 30 CEEELO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccnc1C#N ZINC000092331978 180364260 /nfs/dbraw/zinc/36/42/60/180364260.db2.gz LMRDHKANDIEIKI-VIFPVBQESA-N 1 2 256.309 2.409 10 30 CEEELO CCn1cc[nH+]c1Cn1c(CC#N)nc2ccccc21 ZINC000110950567 186335781 /nfs/dbraw/zinc/33/57/81/186335781.db2.gz OQTXEFSGTUWPAU-UHFFFAOYSA-N 1 2 265.320 2.367 10 30 CEEELO CCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000153741633 188101047 /nfs/dbraw/zinc/10/10/47/188101047.db2.gz RLLMOKPJSNYUOB-GFCCVEGCSA-N 1 2 287.392 2.398 10 30 CEEELO COC(=O)C1=C(O)C=C([NH2+]Cc2ccccc2)C[C@@H]1C ZINC000100106384 364540312 /nfs/dbraw/zinc/54/03/12/364540312.db2.gz FYBZDTRKICUAPJ-NHYWBVRUSA-N 1 2 273.332 2.058 10 30 CEEELO C[C@@H](NC(=O)NC[C@H](C)C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000182693545 368581490 /nfs/dbraw/zinc/58/14/90/368581490.db2.gz ZBGGWQIUISSHPL-CHWSQXEVSA-N 1 2 297.362 2.392 10 30 CEEELO C#CC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246536204 370974334 /nfs/dbraw/zinc/97/43/34/370974334.db2.gz CSNBSORCRDOZMS-OLZOCXBDSA-N 1 2 269.266 2.446 10 30 CEEELO C#CC[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246536204 370974344 /nfs/dbraw/zinc/97/43/44/370974344.db2.gz CSNBSORCRDOZMS-OLZOCXBDSA-N 1 2 269.266 2.446 10 30 CEEELO C=CCCCCC[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000193362555 369933553 /nfs/dbraw/zinc/93/35/53/369933553.db2.gz CDWNWSUFCHULCY-CYBMUJFWSA-N 1 2 264.373 2.233 10 30 CEEELO C=CCCCCC[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000193362555 369933555 /nfs/dbraw/zinc/93/35/55/369933555.db2.gz CDWNWSUFCHULCY-CYBMUJFWSA-N 1 2 264.373 2.233 10 30 CEEELO C=CCCCCC[N@@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000193362555 369933557 /nfs/dbraw/zinc/93/35/57/369933557.db2.gz CDWNWSUFCHULCY-CYBMUJFWSA-N 1 2 264.373 2.233 10 30 CEEELO C=CCCCCC[N@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000193362555 369933559 /nfs/dbraw/zinc/93/35/59/369933559.db2.gz CDWNWSUFCHULCY-CYBMUJFWSA-N 1 2 264.373 2.233 10 30 CEEELO C=CCO[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302192026 379328061 /nfs/dbraw/zinc/32/80/61/379328061.db2.gz VXSOIQTTZXPOHO-CYBMUJFWSA-N 1 2 274.368 2.080 10 30 CEEELO C=CCO[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302192026 379328071 /nfs/dbraw/zinc/32/80/71/379328071.db2.gz VXSOIQTTZXPOHO-CYBMUJFWSA-N 1 2 274.368 2.080 10 30 CEEELO Cc1nnc(S[C@H]2CC[C@@](C#N)([NH2+]C(C)C)C2)o1 ZINC000093806758 184724351 /nfs/dbraw/zinc/72/43/51/184724351.db2.gz RDGBWJNWNMUXDV-CMPLNLGQSA-N 1 2 266.370 2.283 10 30 CEEELO Cc1cnn([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000247404267 394530354 /nfs/dbraw/zinc/53/03/54/394530354.db2.gz YVCRIYDCQURLHT-CABCVRRESA-N 1 2 271.368 2.272 10 30 CEEELO Cc1cnn([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000247404267 394530356 /nfs/dbraw/zinc/53/03/56/394530356.db2.gz YVCRIYDCQURLHT-CABCVRRESA-N 1 2 271.368 2.272 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCOC[C@H]1CCCCO1 ZINC000045208417 175328918 /nfs/dbraw/zinc/32/89/18/175328918.db2.gz AYLVXEQZXCPJAP-ZIAGYGMSSA-N 1 2 254.374 2.242 10 30 CEEELO C[C@@]([NH3+])(C#N)CSc1ccc(C(F)(F)F)cn1 ZINC000045218371 175329510 /nfs/dbraw/zinc/32/95/10/175329510.db2.gz ZJVIMCBFBRLQOL-SECBINFHSA-N 1 2 261.272 2.433 10 30 CEEELO CC(C)[NH2+][C@@](C)(C#N)CCOc1ccc(CO)cc1 ZINC000045215114 175329549 /nfs/dbraw/zinc/32/95/49/175329549.db2.gz SQHVPVFZBYOIFW-OAHLLOKOSA-N 1 2 262.353 2.228 10 30 CEEELO C[C@]([NH3+])(C#N)CSc1ccc(C(F)(F)F)cn1 ZINC000045218369 175329563 /nfs/dbraw/zinc/32/95/63/175329563.db2.gz ZJVIMCBFBRLQOL-VIFPVBQESA-N 1 2 261.272 2.433 10 30 CEEELO CCOc1ccc2[nH]c(SC[C@](C)([NH3+])C#N)nc2c1 ZINC000045217423 175329670 /nfs/dbraw/zinc/32/96/70/175329670.db2.gz NQOQGRJDFQYQGJ-CYBMUJFWSA-N 1 2 276.365 2.295 10 30 CEEELO CC[NH2+][C@@](C)(C#N)CCCOc1ccc2c(c1)OCO2 ZINC000045326338 175359518 /nfs/dbraw/zinc/35/95/18/175359518.db2.gz QSIDDCULHIPUDG-OAHLLOKOSA-N 1 2 276.336 2.466 10 30 CEEELO CC[NH2+][C@](C)(C#N)CCCCOCCOC(C)C ZINC000045326255 175359635 /nfs/dbraw/zinc/35/96/35/175359635.db2.gz VPXUIGFGNSSGAK-AWEZNQCLSA-N 1 2 256.390 2.490 10 30 CEEELO C[NH2+][C@@](C)(C#N)CCCSc1nnc2n1CCCCC2 ZINC000045364479 175362633 /nfs/dbraw/zinc/36/26/33/175362633.db2.gz SHOISJSWVGPSGE-CQSZACIVSA-N 1 2 293.440 2.378 10 30 CEEELO C[NH+](C)Cc1ccc2c(c1)[C@@H](C#N)N(c1cccnc1)C2=O ZINC000071680443 176244806 /nfs/dbraw/zinc/24/48/06/176244806.db2.gz YWPJZMVWAVQXHJ-MRXNPFEDSA-N 1 2 292.342 2.368 10 30 CEEELO C[NH+](C)Cc1ccc2c(c1)C(C#N)N(c1cccnc1)C2=O ZINC000071680443 176244808 /nfs/dbraw/zinc/24/48/08/176244808.db2.gz YWPJZMVWAVQXHJ-MRXNPFEDSA-N 1 2 292.342 2.368 10 30 CEEELO O=C(NCCC1CCOCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329001867 227254480 /nfs/dbraw/zinc/25/44/80/227254480.db2.gz WBWVFVWAURPQTL-ZDUSSCGKSA-N 1 2 277.368 2.219 10 30 CEEELO CC(C)N[C@@](C#N)(C[N@H+](C)C[C@@H]1CCCOC1)C1CC1 ZINC000069083876 519735098 /nfs/dbraw/zinc/73/50/98/519735098.db2.gz YGSXYURFHQOJMO-HOCLYGCPSA-N 1 2 279.428 2.015 10 30 CEEELO CC(C)N[C@@](C#N)(C[N@@H+](C)C[C@@H]1CCCOC1)C1CC1 ZINC000069083876 519735100 /nfs/dbraw/zinc/73/51/00/519735100.db2.gz YGSXYURFHQOJMO-HOCLYGCPSA-N 1 2 279.428 2.015 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000062450713 519984148 /nfs/dbraw/zinc/98/41/48/519984148.db2.gz LCHZSGDWYIKBHN-LLVKDONJSA-N 1 2 281.287 2.395 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000062448809 519984486 /nfs/dbraw/zinc/98/44/86/519984486.db2.gz KVRXNGYXSZGKBW-LLVKDONJSA-N 1 2 293.323 2.264 10 30 CEEELO CC[NH2+][C@@H](C#N)CCn1cc(-c2ccccc2)cn1 ZINC000062441013 520058082 /nfs/dbraw/zinc/05/80/82/520058082.db2.gz KHINFUKNMAIOGY-OAHLLOKOSA-N 1 2 254.337 2.442 10 30 CEEELO CCC[NH2+][C@H](C#N)CCSc1nc(CCC)cc(=O)[nH]1 ZINC000062454219 520062287 /nfs/dbraw/zinc/06/22/87/520062287.db2.gz CIUZMMZWYSMZPH-LBPRGKRZSA-N 1 2 294.424 2.096 10 30 CEEELO CCN[C@@](C#N)(C[N@H+](CCOC)[C@@H](C)CC)C1CC1 ZINC000069080359 520126664 /nfs/dbraw/zinc/12/66/64/520126664.db2.gz HNBBSKSEIBOMTG-ZFWWWQNUSA-N 1 2 267.417 2.015 10 30 CEEELO CCN[C@@](C#N)(C[N@@H+](CCOC)[C@@H](C)CC)C1CC1 ZINC000069080359 520126667 /nfs/dbraw/zinc/12/66/67/520126667.db2.gz HNBBSKSEIBOMTG-ZFWWWQNUSA-N 1 2 267.417 2.015 10 30 CEEELO CC[NH2+][C@](C)(C#N)C[C@@H](C)Sc1nnc2ccccn21 ZINC000068626568 520224639 /nfs/dbraw/zinc/22/46/39/520224639.db2.gz XNUVOMNSJVPWJM-RISCZKNCSA-N 1 2 289.408 2.492 10 30 CEEELO CC1(C)CCC[N@H+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000070259872 520329266 /nfs/dbraw/zinc/32/92/66/520329266.db2.gz TXGWXWJHBBTWGT-INIZCTEOSA-N 1 2 257.381 2.486 10 30 CEEELO CC1(C)CCC[N@@H+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000070259872 520329270 /nfs/dbraw/zinc/32/92/70/520329270.db2.gz TXGWXWJHBBTWGT-INIZCTEOSA-N 1 2 257.381 2.486 10 30 CEEELO CC[C@H]1COCC[N@@H+]1Cc1ccc(F)c(C#CCCO)c1 ZINC000049613354 523336522 /nfs/dbraw/zinc/33/65/22/523336522.db2.gz ONLVHYAJNPVUMF-INIZCTEOSA-N 1 2 291.366 2.170 10 30 CEEELO CC[C@H]1COCC[N@H+]1Cc1ccc(F)c(C#CCCO)c1 ZINC000049613354 523336532 /nfs/dbraw/zinc/33/65/32/523336532.db2.gz ONLVHYAJNPVUMF-INIZCTEOSA-N 1 2 291.366 2.170 10 30 CEEELO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000061891044 524091385 /nfs/dbraw/zinc/09/13/85/524091385.db2.gz CREGSZYYISDEBL-RISCZKNCSA-N 1 2 260.337 2.486 10 30 CEEELO C[C@H](C#N)C[N@H+](C)Cc1cc2ccccc2nc1N ZINC000050815343 525920737 /nfs/dbraw/zinc/92/07/37/525920737.db2.gz IBRLZEDDABZBQH-LLVKDONJSA-N 1 2 254.337 2.408 10 30 CEEELO C[C@H](C#N)C[N@@H+](C)Cc1cc2ccccc2nc1N ZINC000050815343 525920747 /nfs/dbraw/zinc/92/07/47/525920747.db2.gz IBRLZEDDABZBQH-LLVKDONJSA-N 1 2 254.337 2.408 10 30 CEEELO N#C[C@@]([NH3+])(CSc1nc2ccccc2[nH]1)C1CC1 ZINC000069090950 526503305 /nfs/dbraw/zinc/50/33/05/526503305.db2.gz CCXHIZGVDOXZNY-CYBMUJFWSA-N 1 2 258.350 2.286 10 30 CEEELO CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000329302828 527804766 /nfs/dbraw/zinc/80/47/66/527804766.db2.gz WZBAFUTXWXQVMY-BYNSBNAKSA-N 1 2 298.427 2.113 10 30 CEEELO CC(C)NC(=[NH+]N)c1csc(Br)c1 ZINC000232667287 344578646 /nfs/dbraw/zinc/57/86/46/344578646.db2.gz SKEIUQUKQWMYSA-UHFFFAOYSA-N 1 2 262.176 2.129 10 30 CEEELO O=C(CC1(O)CCCCC1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328632454 344757200 /nfs/dbraw/zinc/75/72/00/344757200.db2.gz RWLIARXUIDYGJR-ZDUSSCGKSA-N 1 2 291.395 2.487 10 30 CEEELO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328631084 344756394 /nfs/dbraw/zinc/75/63/94/344756394.db2.gz QOGNEYVSBVZEBP-CQSZACIVSA-N 1 2 294.358 2.056 10 30 CEEELO O=C(NC[C@H]1CCn2cc[nH+]c2C1)c1ccc2n[nH]cc2c1 ZINC000328626922 344756505 /nfs/dbraw/zinc/75/65/05/344756505.db2.gz MEMMZHVADBIKJJ-NSHDSACASA-N 1 2 295.346 2.327 10 30 CEEELO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1OC ZINC000061891253 362697506 /nfs/dbraw/zinc/69/75/06/362697506.db2.gz RXVZHGKGTMBJIQ-YPMHNXCESA-N 1 2 260.337 2.486 10 30 CEEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000061892547 362697617 /nfs/dbraw/zinc/69/76/17/362697617.db2.gz FLOONHDNAFVCMK-ZJUUUORDSA-N 1 2 251.311 2.438 10 30 CEEELO CC(C)[NH2+][C@](C)(C#N)CCCCO[C@@H]1CCOC1 ZINC000110531154 186302061 /nfs/dbraw/zinc/30/20/61/186302061.db2.gz CKAUWOMDGBJFDO-KGLIPLIRSA-N 1 2 254.374 2.242 10 30 CEEELO C=CCCC(C)(C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638873479 370811813 /nfs/dbraw/zinc/81/18/13/370811813.db2.gz ANHBAYDKILPYQD-JTQLQIEISA-N 1 2 260.328 2.092 10 30 CEEELO Cc1cc(NCc2nnc3n2CCCC3)c(C#N)c(C)[nH+]1 ZINC000160496440 367010786 /nfs/dbraw/zinc/01/07/86/367010786.db2.gz LYIUCYYQUHSGQK-UHFFFAOYSA-N 1 2 282.351 2.110 10 30 CEEELO CS[C@H](CO)[C@H](C)Nc1cc(C)[nH+]c(C)c1C#N ZINC000219764659 394461305 /nfs/dbraw/zinc/46/13/05/394461305.db2.gz FZNIREZYTZHWLU-GXFFZTMASA-N 1 2 265.382 2.094 10 30 CEEELO N#C[C@](C[NH+]1CCCC1)(NC1CC1)c1ccccc1 ZINC000045178867 175323936 /nfs/dbraw/zinc/32/39/36/175323936.db2.gz JNBZONCYVRSVFC-MRXNPFEDSA-N 1 2 255.365 2.253 10 30 CEEELO CN(CCC[C@@](C)(C#N)[NH2+]C1CC1)CC(F)(F)F ZINC000045312567 175357042 /nfs/dbraw/zinc/35/70/42/175357042.db2.gz ROBHAYGHJNXJIA-NSHDSACASA-N 1 2 263.307 2.295 10 30 CEEELO CC(C)N[C@@H](C#N)Cn1cc[nH+]c1-c1ccccc1 ZINC000045322447 175359794 /nfs/dbraw/zinc/35/97/94/175359794.db2.gz HOHBXMDWDQDMRE-AWEZNQCLSA-N 1 2 254.337 2.440 10 30 CEEELO C[C@H](Nc1cccc(OCC#N)c1)c1[nH+]ccn1C ZINC000070444444 175936824 /nfs/dbraw/zinc/93/68/24/175936824.db2.gz LUZDKWXWCIWQRI-NSHDSACASA-N 1 2 256.309 2.496 10 30 CEEELO Cc1ccc2c(c1)[C@@H](C#N)N(CCCn1cc[nH+]c1)C2=O ZINC000071678079 176243090 /nfs/dbraw/zinc/24/30/90/176243090.db2.gz XXRIKSUGHRMAKE-OAHLLOKOSA-N 1 2 280.331 2.302 10 30 CEEELO CC[NH+](CC)CCN1C(=O)c2c(cccc2F)[C@H]1C#N ZINC000071678304 176243189 /nfs/dbraw/zinc/24/31/89/176243189.db2.gz JHYJNEATJLTXOH-CYBMUJFWSA-N 1 2 275.327 2.188 10 30 CEEELO O=C(NCC1CCC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330252948 228081541 /nfs/dbraw/zinc/08/15/41/228081541.db2.gz OOYLBJCJOZEDGT-ZDUSSCGKSA-N 1 2 262.357 2.062 10 30 CEEELO [O-]C(=[NH+]CC1CCC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330252948 228081543 /nfs/dbraw/zinc/08/15/43/228081543.db2.gz OOYLBJCJOZEDGT-ZDUSSCGKSA-N 1 2 262.357 2.062 10 30 CEEELO CCC[NH2+][C@@H](C#N)CCOc1cccc([N+](=O)[O-])c1 ZINC000062448406 519985578 /nfs/dbraw/zinc/98/55/78/519985578.db2.gz RNJYTCCPJOFTFW-LLVKDONJSA-N 1 2 263.297 2.255 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000062449815 520062161 /nfs/dbraw/zinc/06/21/61/520062161.db2.gz LJEIQASNTAMQTM-JTQLQIEISA-N 1 2 281.287 2.395 10 30 CEEELO CCC[NH2+][C@H](C#N)CCOc1ccc2c(c1)CCC(=O)N2 ZINC000062444893 520062347 /nfs/dbraw/zinc/06/23/47/520062347.db2.gz DRLUHCMVMQADRF-ZDUSSCGKSA-N 1 2 287.363 2.232 10 30 CEEELO CCC[NH2+][C@](C#N)(CN(C)CC(F)(F)F)C1CC1 ZINC000069078726 520100814 /nfs/dbraw/zinc/10/08/14/520100814.db2.gz WKRPINULQONJGV-LLVKDONJSA-N 1 2 263.307 2.152 10 30 CEEELO CCc1[nH+]c2ccccc2n1C[C@](C#N)(NC)C1CC1 ZINC000069085015 522504914 /nfs/dbraw/zinc/50/49/14/522504914.db2.gz WHFVCAGEFZZRDP-INIZCTEOSA-N 1 2 268.364 2.490 10 30 CEEELO N#Cc1ccc(NC(=O)Nc2cc[nH+]cc2N)cc1 ZINC000062726021 526656696 /nfs/dbraw/zinc/65/66/96/526656696.db2.gz GBAXKPJEOADBPM-UHFFFAOYSA-N 1 2 253.265 2.179 10 30 CEEELO O=CCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000062540444 527140830 /nfs/dbraw/zinc/14/08/30/527140830.db2.gz KIEYKGVKFXMDCB-UHFFFAOYSA-N 1 2 252.745 2.051 10 30 CEEELO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000124768715 649737570 /nfs/dbraw/zinc/73/75/70/649737570.db2.gz MQMDNNDUUQYWIF-SWLSCSKDSA-N 1 2 288.347 2.115 10 30 CEEELO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000124768715 649737574 /nfs/dbraw/zinc/73/75/74/649737574.db2.gz MQMDNNDUUQYWIF-SWLSCSKDSA-N 1 2 288.347 2.115 10 30 CEEELO