smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCNCc1cc(Br)ccc1OC ZINC000036804206 361859989 /nfs/dbraw/zinc/85/99/89/361859989.db2.gz YHFWAMYOQWNZRC-UHFFFAOYSA-N 0 1 254.127 2.181 10 30 CEEEMN CCN1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1 ZINC000208795956 344529894 /nfs/dbraw/zinc/52/98/94/344529894.db2.gz GPNWYSNUEHEOSX-UHFFFAOYSA-N 0 1 287.483 2.452 10 30 CEEEMN O=C1C=C(N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000307042097 344719618 /nfs/dbraw/zinc/71/96/18/344719618.db2.gz ARPPKNIWPMEUKY-HNNXBMFYSA-N 0 1 256.349 2.097 10 30 CEEEMN COc1ccc2c(c1)O[C@@H]([C@H]1CCCO1)C/C2=N\O ZINC000584636092 344971232 /nfs/dbraw/zinc/97/12/32/344971232.db2.gz XJTSFVDJZAMXNF-YDQJQLCKSA-N 0 1 263.293 2.204 10 30 CEEEMN Cc1nccc(CNC2CC(C#N)(c3ccccc3)C2)n1 ZINC000086037316 179221810 /nfs/dbraw/zinc/22/18/10/179221810.db2.gz JEEVQKARSQGKGN-UHFFFAOYSA-N 0 1 278.359 2.499 10 30 CEEEMN CC[C@H](C#N)N1CCN(C[C@@H]2Cc3ccccc32)CC1 ZINC000090977021 180078863 /nfs/dbraw/zinc/07/88/63/180078863.db2.gz XJEKRYNLXSZPAN-JKSUJKDBSA-N 0 1 269.392 2.246 10 30 CEEEMN COC(=O)C1=C(O)CC[C@](C#N)(c2ccccc2F)C1 ZINC000091352003 180137944 /nfs/dbraw/zinc/13/79/44/180137944.db2.gz IMIFXNDULPJOGF-BMIGLBTASA-N 0 1 275.279 2.129 10 30 CEEEMN C=C(C)CN1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000106159586 186103674 /nfs/dbraw/zinc/10/36/74/186103674.db2.gz QRVOTBPAOKCOHU-UHFFFAOYSA-N 0 1 296.846 2.330 10 30 CEEEMN C#CCn1c(C)nc(-c2ccc(OC)c(C)c2)c1N ZINC000106832572 186137562 /nfs/dbraw/zinc/13/75/62/186137562.db2.gz HKAUPAFEEHNQSG-UHFFFAOYSA-N 0 1 255.321 2.391 10 30 CEEEMN C=CC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc2c(c1)OCO2 ZINC000092469300 180392944 /nfs/dbraw/zinc/39/29/44/180392944.db2.gz VHNCQDSWCVRVEM-SNVBAGLBSA-N 0 1 263.293 2.049 10 30 CEEEMN C#CC[N@H+](CC(=O)[O-])[C@@H](C)c1ccc(OCC)cc1 ZINC000092491663 180395712 /nfs/dbraw/zinc/39/57/12/180395712.db2.gz IVHAKNHWJGTKPC-LBPRGKRZSA-N 0 1 261.321 2.166 10 30 CEEEMN C#CC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc(OCC)cc1 ZINC000092491663 180395714 /nfs/dbraw/zinc/39/57/14/180395714.db2.gz IVHAKNHWJGTKPC-LBPRGKRZSA-N 0 1 261.321 2.166 10 30 CEEEMN CC#CCCN1CCN(c2nc3ccccc3o2)CC1 ZINC000155446546 188206745 /nfs/dbraw/zinc/20/67/45/188206745.db2.gz MXWWZFXFYQEQFR-UHFFFAOYSA-N 0 1 269.348 2.363 10 30 CEEEMN N#C[C@H]1CCCC[C@H]1NCCOCC(F)(F)F ZINC000111638627 364748414 /nfs/dbraw/zinc/74/84/14/364748414.db2.gz AZAAUVCTAROVKG-NXEZZACHSA-N 0 1 250.264 2.237 10 30 CEEEMN C=CCC[C@H](O)CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000246922400 371032148 /nfs/dbraw/zinc/03/21/48/371032148.db2.gz YMCYONLLLIRLDP-HEHGZKQESA-N 0 1 297.345 2.400 10 30 CEEEMN C=CCOC[C@H](O)CN(Cc1ccc(C)o1)C1CC1 ZINC000036097792 394494633 /nfs/dbraw/zinc/49/46/33/394494633.db2.gz LPFMGLHYKNAONX-CQSZACIVSA-N 0 1 265.353 2.116 10 30 CEEEMN CCOC(=O)c1cc(C#N)c(O)cc1OC(F)F ZINC000575385955 395663043 /nfs/dbraw/zinc/66/30/43/395663043.db2.gz POUPHTITSLUEPU-UHFFFAOYSA-N 0 1 257.192 2.042 10 30 CEEEMN C[C@@H]1CC[C@H](C#N)[C@H](Sc2nc(N)cc(N)n2)C1 ZINC000041023676 174452917 /nfs/dbraw/zinc/45/29/17/174452917.db2.gz USZNLYIVXRBABF-IWSPIJDZSA-N 0 1 263.370 2.061 10 30 CEEEMN CCCN[C@@](C)(C#N)CCCCN1CCOC[C@@H]1C ZINC000045310446 175356348 /nfs/dbraw/zinc/35/63/48/175356348.db2.gz KGXDAJQOXBFTIN-LSDHHAIUSA-N 0 1 267.417 2.159 10 30 CEEEMN CCCN[C@](C)(C#N)CCCN1CCOCC1(C)C ZINC000045317528 175357716 /nfs/dbraw/zinc/35/77/16/175357716.db2.gz WDHBPLLIMWEVDI-HNNXBMFYSA-N 0 1 267.417 2.159 10 30 CEEEMN C=CCCCOc1cc2c(cc1CNCCOC)OCO2 ZINC000071275066 176106285 /nfs/dbraw/zinc/10/62/85/176106285.db2.gz HSAKJXOWYWGBRJ-UHFFFAOYSA-N 0 1 293.363 2.496 10 30 CEEEMN N#CC1c2ccccc2C(=O)N1CCc1nccs1 ZINC000071677979 176243106 /nfs/dbraw/zinc/24/31/06/176243106.db2.gz CXDHBXGYHXROAR-GFCCVEGCSA-N 0 1 269.329 2.406 10 30 CEEEMN COC(=O)[C@@H](C)N1C(=O)c2c(ccc3ccccc23)C1C#N ZINC000071679915 176244660 /nfs/dbraw/zinc/24/46/60/176244660.db2.gz VAALLZLBCXIEPK-QMTHXVAHSA-N 0 1 294.310 2.422 10 30 CEEEMN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(F)c(F)c1 ZINC000078595519 177357481 /nfs/dbraw/zinc/35/74/81/177357481.db2.gz CRTYBASBGVELIC-MNOVXSKESA-N 0 1 295.333 2.376 10 30 CEEEMN C[C@@H](C#N)C(=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000536951741 330382476 /nfs/dbraw/zinc/38/24/76/330382476.db2.gz ZZBBRSIAYNGXEM-WCQYABFASA-N 0 1 256.305 2.158 10 30 CEEEMN C[C@H](C#N)C(=O)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000536951167 566980707 /nfs/dbraw/zinc/98/07/07/566980707.db2.gz QDVOHMSVSIZMEE-ZWNOBZJWSA-N 0 1 274.295 2.297 10 30 CEEEMN C[Si](C)(C)c1n[nH]nc1C=NC1CCCCC1 ZINC000221833295 639336109 /nfs/dbraw/zinc/33/61/09/639336109.db2.gz VWMYFGITTLRTOX-UKTHLTGXSA-N 0 1 250.422 2.102 10 30 CEEEMN CC(C)(C)OC(=O)NC1CC(N[C@H]2CCC[C@H]2C#N)C1 ZINC000131757205 652459521 /nfs/dbraw/zinc/45/95/21/652459521.db2.gz CKRJEDHDVBJLGG-WTIISPKJSA-N 0 1 279.384 2.324 10 30 CEEEMN N/N=C/c1cc(Br)cc(Br)c1O ZINC000007276359 343358286 /nfs/dbraw/zinc/35/82/86/343358286.db2.gz WGISJQWCEKUGQI-QDEBKDIKSA-N 0 1 293.946 2.210 10 30 CEEEMN CN(C)CC#CCCC(=O)[C@](O)(c1ccccc1)C1CC1 ZINC000013825127 343367152 /nfs/dbraw/zinc/36/71/52/343367152.db2.gz UECYEVVALVNYSW-SFHVURJKSA-N 0 1 285.387 2.199 10 30 CEEEMN CCC(C#N)(CC)C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000251387593 344636112 /nfs/dbraw/zinc/63/61/12/344636112.db2.gz VJUKUWNMYQHWCW-KGLIPLIRSA-N 0 1 277.412 2.402 10 30 CEEEMN CCc1nnc([C@@H]2CN(CC(C)(C)CCC#N)CCO2)[nH]1 ZINC000129223591 365836863 /nfs/dbraw/zinc/83/68/63/365836863.db2.gz MLWFYKIFLYVFBS-LBPRGKRZSA-N 0 1 291.399 2.070 10 30 CEEEMN C=CCNCC(=O)Nc1cccc2ccc(C)nc21 ZINC000092475767 180394144 /nfs/dbraw/zinc/39/41/44/180394144.db2.gz DFTGMAGBOOGQSV-UHFFFAOYSA-N 0 1 255.321 2.257 10 30 CEEEMN CC(C)(C)[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1C#N ZINC000092449766 180387780 /nfs/dbraw/zinc/38/77/80/180387780.db2.gz KPPQURDHNQMLPY-UHFFFAOYSA-N 0 1 264.300 2.382 10 30 CEEEMN C#CCNCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000092492774 180396546 /nfs/dbraw/zinc/39/65/46/180396546.db2.gz XSVQZQKORRYMFS-NSHDSACASA-N 0 1 264.756 2.082 10 30 CEEEMN CCN1CCC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000176291877 368221083 /nfs/dbraw/zinc/22/10/83/368221083.db2.gz NDZZKOLHVDZMQY-NSHDSACASA-N 0 1 293.317 2.051 10 30 CEEEMN C=CCNC(=O)[C@H](C)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195328320 370126070 /nfs/dbraw/zinc/12/60/70/370126070.db2.gz NCULUHUDAHPRGQ-QWHCGFSZSA-N 0 1 293.436 2.322 10 30 CEEEMN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCCC#N ZINC000249707372 371353790 /nfs/dbraw/zinc/35/37/90/371353790.db2.gz BLKAZAPJVQRJGY-UPJWGTAASA-N 0 1 250.342 2.096 10 30 CEEEMN C#CCCCCC(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000374515747 395083392 /nfs/dbraw/zinc/08/33/92/395083392.db2.gz WXYQXLMQRMDWJQ-LSDHHAIUSA-N 0 1 262.397 2.265 10 30 CEEEMN CCOC(=O)Cc1ccc(C#N)c(C(F)F)c1O ZINC000575387596 395663366 /nfs/dbraw/zinc/66/33/66/395663366.db2.gz JQBSDZFZZCHXSM-UHFFFAOYSA-N 0 1 255.220 2.307 10 30 CEEEMN N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000071263933 176097265 /nfs/dbraw/zinc/09/72/65/176097265.db2.gz JOPSDTKRYSFVAU-CYBMUJFWSA-N 0 1 262.284 2.136 10 30 CEEEMN N#CC1c2ccccc2C(=O)N1C1CCC(O)CC1 ZINC000071677968 176243269 /nfs/dbraw/zinc/24/32/69/176243269.db2.gz ROEICLBWWJZTLO-MGULZYLOSA-N 0 1 256.305 2.011 10 30 CEEEMN C[C@H](O)CN1C(=O)c2ccc(C(C)(C)C)cc2C1C#N ZINC000071680244 176244776 /nfs/dbraw/zinc/24/47/76/176244776.db2.gz MFXNXDJYENNTCE-IINYFYTJSA-N 0 1 272.348 2.385 10 30 CEEEMN N#C[C@@H]1c2ccc(Cl)c(Cl)c2C(=O)N1CCCO ZINC000071681846 176245192 /nfs/dbraw/zinc/24/51/92/176245192.db2.gz VDPLUPOBEHUBKX-SECBINFHSA-N 0 1 285.130 2.396 10 30 CEEEMN N#Cc1cc(F)ccc1CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398976080 270364801 /nfs/dbraw/zinc/36/48/01/270364801.db2.gz CJUYWBGFXQJDDV-BJJXKVORSA-N 0 1 274.339 2.290 10 30 CEEEMN CCN[C@H](C)c1nnn(-c2cc(C#N)ccc2C)c1C ZINC000050436688 520182951 /nfs/dbraw/zinc/18/29/51/520182951.db2.gz DJIUNTHIXNIPNL-LLVKDONJSA-N 0 1 269.352 2.426 10 30 CEEEMN CCC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000068757191 521302358 /nfs/dbraw/zinc/30/23/58/521302358.db2.gz UYQSYJXGDPZHPE-INIZCTEOSA-N 0 1 287.363 2.420 10 30 CEEEMN CC[C@@H](C)N1CCN(C(=O)[C@@H](C#N)c2ccccc2)CC1 ZINC000061615572 522112344 /nfs/dbraw/zinc/11/23/44/522112344.db2.gz ATRZUSRFYAUKQM-ZBFHGGJFSA-N 0 1 285.391 2.236 10 30 CEEEMN N#Cc1ncccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000061658005 526789609 /nfs/dbraw/zinc/78/96/09/526789609.db2.gz BTLIZDMDRNTDGF-UHFFFAOYSA-N 0 1 282.303 2.194 10 30 CEEEMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176090661 624011954 /nfs/dbraw/zinc/01/19/54/624011954.db2.gz WLDXEJUUQFEWTM-MCIONIFRSA-N 0 1 274.364 2.190 10 30 CEEEMN N#C[C@H]1CCCC[C@H]1NCCC(=O)N1CCCCC1 ZINC000123990165 344312777 /nfs/dbraw/zinc/31/27/77/344312777.db2.gz YKCIRPJRSJEIIQ-ZIAGYGMSSA-N 0 1 263.385 2.061 10 30 CEEEMN Cc1cccc2cc(C=NNC(=N)N)c(Cl)nc12 ZINC000252446730 344639267 /nfs/dbraw/zinc/63/92/67/344639267.db2.gz AKHMFDFGGRSBGN-UHFFFAOYSA-N 0 1 261.716 2.014 10 30 CEEEMN CC(C)(C#N)CCN1CCN(c2ccccc2N)CC1 ZINC000087592347 534989174 /nfs/dbraw/zinc/98/91/74/534989174.db2.gz RDMVLBFTQZQJGM-UHFFFAOYSA-N 0 1 272.396 2.331 10 30 CEEEMN CSC1(C#N)CCN(C[C@H](O)c2ccccc2)CC1 ZINC000091477458 180166334 /nfs/dbraw/zinc/16/63/34/180166334.db2.gz VATHYZLELPOTDZ-AWEZNQCLSA-N 0 1 276.405 2.441 10 30 CEEEMN Cc1cc(NS(=O)(=O)Cc2ccccc2C#N)ccn1 ZINC000092350076 180368391 /nfs/dbraw/zinc/36/83/91/180368391.db2.gz LSQFSTIDAMFCBQ-UHFFFAOYSA-N 0 1 287.344 2.204 10 30 CEEEMN C=CC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092469609 180392724 /nfs/dbraw/zinc/39/27/24/180392724.db2.gz RDEACAWYDSAPMR-SNVBAGLBSA-N 0 1 264.281 2.228 10 30 CEEEMN C=CC[NH+](CC=C)[C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000074404229 363335250 /nfs/dbraw/zinc/33/52/50/363335250.db2.gz WWVAHYPHCVBSJX-AWEZNQCLSA-N 0 1 261.321 2.495 10 30 CEEEMN CCOC(=O)c1ccc(O)c(C#N)c1C(F)(F)F ZINC000575391699 366269673 /nfs/dbraw/zinc/26/96/73/366269673.db2.gz GMDIJXWVBUQRBK-UHFFFAOYSA-N 0 1 259.183 2.459 10 30 CEEEMN N#Cc1c(N)c(C(=O)c2ccc(O)cc2)n2ccccc12 ZINC000028047637 361666449 /nfs/dbraw/zinc/66/64/49/361666449.db2.gz ZUSBKSBTZDNVNK-UHFFFAOYSA-N 0 1 277.283 2.330 10 30 CEEEMN N#Cc1ccc(F)cc1CN1CCC[C@H]1CCCO ZINC000085148894 363831346 /nfs/dbraw/zinc/83/13/46/363831346.db2.gz KJMPBJVTBYEXAW-HNNXBMFYSA-N 0 1 262.328 2.434 10 30 CEEEMN N#CCc1n[nH]c2cc(I)ccc21 ZINC000089195961 363947013 /nfs/dbraw/zinc/94/70/13/363947013.db2.gz RDBUDYBPKUKGOD-UHFFFAOYSA-N 0 1 283.072 2.234 10 30 CEEEMN Cn1cc([C@H]2CCN(Cc3ccccc3C#N)C2)cn1 ZINC000172054775 367665585 /nfs/dbraw/zinc/66/55/85/367665585.db2.gz OTEMZZVHMOTQQZ-HNNXBMFYSA-N 0 1 266.348 2.281 10 30 CEEEMN CC[N@H+]1CC[C@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000389126200 375298258 /nfs/dbraw/zinc/29/82/58/375298258.db2.gz DCXWDHLTIFZECP-NSHDSACASA-N 0 1 267.336 2.008 10 30 CEEEMN COc1ccccc1C(C#N)C(=O)[C@@]1(C)CCCO1 ZINC000094789593 184864400 /nfs/dbraw/zinc/86/44/00/184864400.db2.gz QRFVYCYVQISXCS-SWLSCSKDSA-N 0 1 259.305 2.441 10 30 CEEEMN Brc1cccc(C=Nc2nnc[nH]2)c1 ZINC000005427975 170098600 /nfs/dbraw/zinc/09/86/00/170098600.db2.gz WIEJLFMGABLSRA-VZUCSPMQSA-N 0 1 251.087 2.318 10 30 CEEEMN N#Cc1cc(F)ccc1CN1CCC[C@@H]1CCCO ZINC000071264628 176097994 /nfs/dbraw/zinc/09/79/94/176097994.db2.gz LWFSQBWNYTZPPT-OAHLLOKOSA-N 0 1 262.328 2.434 10 30 CEEEMN N#C[C@H]1c2ccc(Cl)c(Cl)c2C(=O)N1CCCO ZINC000071681845 176245561 /nfs/dbraw/zinc/24/55/61/176245561.db2.gz VDPLUPOBEHUBKX-VIFPVBQESA-N 0 1 285.130 2.396 10 30 CEEEMN C=CC[C@@H]1CCC[N@H+](CC2(O)CCC(C(=O)[O-])CC2)C1 ZINC000656760669 415845881 /nfs/dbraw/zinc/84/58/81/415845881.db2.gz XFUSBQRJLBGEMV-VQCLRJIVSA-N 0 1 281.396 2.280 10 30 CEEEMN N#Cc1cc(F)ccc1CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398976086 270364843 /nfs/dbraw/zinc/36/48/43/270364843.db2.gz CJUYWBGFXQJDDV-JGGQBBKZSA-N 0 1 274.339 2.290 10 30 CEEEMN CC[N@@H+](CCOc1ccc(C#N)cc1)[C@H](C)CC(=O)[O-] ZINC000061183553 521150428 /nfs/dbraw/zinc/15/04/28/521150428.db2.gz QANMXTCTZGOPHF-GFCCVEGCSA-N 0 1 276.336 2.122 10 30 CEEEMN COc1ccc2nc(SC[C@@](N)(C#N)C3CC3)[nH]c2c1 ZINC000069091333 525680165 /nfs/dbraw/zinc/68/01/65/525680165.db2.gz 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CC[N@H+](Cc1ccc(F)cc1C#N)C[C@@H](C)C(=O)[O-] ZINC000071264086 176097249 /nfs/dbraw/zinc/09/72/49/176097249.db2.gz CSMWGXGKRXBHDA-SNVBAGLBSA-N 0 1 264.300 2.240 10 30 CEEEMN CC[C@@H](CO)N1C(=O)c2c(cccc2C(F)(F)F)[C@H]1C#N ZINC000071681124 176245437 /nfs/dbraw/zinc/24/54/37/176245437.db2.gz DOJFUPGXGWKLMO-GZMMTYOYSA-N 0 1 298.264 2.497 10 30 CEEEMN [O-]C(=[NH+]CC1CCC1)N1CCC[C@H]1Cn1ccnc1 ZINC000330252948 228081538 /nfs/dbraw/zinc/08/15/38/228081538.db2.gz OOYLBJCJOZEDGT-ZDUSSCGKSA-N 0 1 262.357 2.062 10 30 CEEEMN C=C(C)CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000180382070 260100094 /nfs/dbraw/zinc/10/00/94/260100094.db2.gz VZHLPSRRYAFKBD-HNNXBMFYSA-N 0 1 260.381 2.194 10 30 CEEEMN O=C(Nc1cnn(C(F)F)c1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000330345022 534331610 /nfs/dbraw/zinc/33/16/10/534331610.db2.gz DQVMLGOIDZSNTA-SSDOTTSWSA-N 0 1 297.265 2.142 10 30 CEEEMN CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)CC(=O)[O-] ZINC000061182999 521299568 /nfs/dbraw/zinc/29/95/68/521299568.db2.gz KHGRPEYQLMVVML-JTQLQIEISA-N 0 1 264.300 2.382 10 30 CEEEMN CC[N@@H+](Cc1cn2ccccc2c1C#N)C(C)(C)C(=O)[O-] ZINC000061176381 521430207 /nfs/dbraw/zinc/43/02/07/521430207.db2.gz UAEIBMKEOFXVGD-UHFFFAOYSA-N 0 1 285.347 2.496 10 30 CEEEMN CC[C@@H](C)N1CCN(C(=O)[C@H](C#N)c2ccccc2)CC1 ZINC000061615574 522112933 /nfs/dbraw/zinc/11/29/33/522112933.db2.gz ATRZUSRFYAUKQM-GDBMZVCRSA-N 0 1 285.391 2.236 10 30 CEEEMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccccc1C#CCCO ZINC000049614662 523507916 /nfs/dbraw/zinc/50/79/16/523507916.db2.gz BVYMEQXENTWXCA-MAUKXSAKSA-N 0 1 287.403 2.420 10 30 CEEEMN C[C@@](N)(C(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000052881192 525749680 /nfs/dbraw/zinc/74/96/80/525749680.db2.gz YQWQLRCADBVKBE-INIZCTEOSA-N 0 1 265.316 2.371 10 30 CEEEMN N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])ccn1 ZINC000068756943 526548989 /nfs/dbraw/zinc/54/89/89/526548989.db2.gz YYDHXQMKRYCNMS-CQSZACIVSA-N 0 1 273.336 2.173 10 30 CEEEMN N#Cc1ccc(F)c(CN2CCC[C@@H]2CCCO)c1 ZINC000052759563 526637826 /nfs/dbraw/zinc/63/78/26/526637826.db2.gz UMWYPNUYWIFQMK-CQSZACIVSA-N 0 1 262.328 2.434 10 30 CEEEMN N#Cc1ncccc1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000061659533 526790293 /nfs/dbraw/zinc/79/02/93/526790293.db2.gz FGHJMEFUDFNGLD-LBPRGKRZSA-N 0 1 273.336 2.030 10 30 CEEEMN N#Cc1ncccc1C[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000061659533 526790302 /nfs/dbraw/zinc/79/03/02/526790302.db2.gz FGHJMEFUDFNGLD-LBPRGKRZSA-N 0 1 273.336 2.030 10 30 CEEEMN CC(C)(C(=O)N[C@@H]1CCC[C@H]1C#N)N1CCCCC1 ZINC000906900434 636884195 /nfs/dbraw/zinc/88/41/95/636884195.db2.gz HMRAEFMJOZUSTB-QWHCGFSZSA-N 0 1 263.385 2.059 10 30 CEEEMN N#Cc1c(=O)[nH]c(N2CCCCCC2)nc1-c1ccccn1 ZINC000223970099 639439658 /nfs/dbraw/zinc/43/96/58/639439658.db2.gz OGXANYISLVIRGG-UHFFFAOYSA-N 0 1 295.346 2.084 10 30 CEEEMN