smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)c1ccc(C#N)cc1 ZINC000050565800 525640416 /nfs/dbraw/zinc/64/04/16/525640416.db2.gz QRYUCZBJVJFJJG-QWHCGFSZSA-N 1 1 256.349 2.861 10 30 CFEEMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)c1ccc(C#N)cc1 ZINC000050565800 525640421 /nfs/dbraw/zinc/64/04/21/525640421.db2.gz QRYUCZBJVJFJJG-QWHCGFSZSA-N 1 1 256.349 2.861 10 30 CFEEMO N#CC[C@@H]([NH2+]CCc1cccnc1)c1ccccc1 ZINC000055017082 526479958 /nfs/dbraw/zinc/47/99/58/526479958.db2.gz DPDRVSWIPFBTEZ-MRXNPFEDSA-N 1 1 251.333 2.869 10 30 CFEEMO N#C[C@H](CC[N@H+]1CCC[C@@H]1C1CCCC1)NC1CC1 ZINC000062436906 526508812 /nfs/dbraw/zinc/50/88/12/526508812.db2.gz GAPAKTXVVGWQRF-JKSUJKDBSA-N 1 1 261.413 2.675 10 30 CFEEMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052759648 526725370 /nfs/dbraw/zinc/72/53/70/526725370.db2.gz WARWQQQNXQJYFD-INIZCTEOSA-N 1 1 288.391 2.564 10 30 CFEEMO CCCCCCCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177249987 618381058 /nfs/dbraw/zinc/38/10/58/618381058.db2.gz WGVIMIUSFYOTFG-DLBZAZTESA-N 1 1 282.472 2.999 10 30 CFEEMO CCCCCCCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000174635699 623451734 /nfs/dbraw/zinc/45/17/34/623451734.db2.gz LPYKFZQZFPBAHS-CVEARBPZSA-N 1 1 298.471 2.651 10 30 CFEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000127327642 644025526 /nfs/dbraw/zinc/02/55/26/644025526.db2.gz ULVOPUZDSVJBPU-BXKDBHETSA-N 1 1 250.729 2.827 10 30 CFEEMO CCCCCCCC[N@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000247031078 650895068 /nfs/dbraw/zinc/89/50/68/650895068.db2.gz PGNVQNJNDJONGJ-JKSUJKDBSA-N 1 1 270.461 2.734 10 30 CFEEMO CCCCCCCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247031078 650895072 /nfs/dbraw/zinc/89/50/72/650895072.db2.gz PGNVQNJNDJONGJ-JKSUJKDBSA-N 1 1 270.461 2.734 10 30 CFEEMO CCCCCCCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247031078 650895074 /nfs/dbraw/zinc/89/50/74/650895074.db2.gz PGNVQNJNDJONGJ-JKSUJKDBSA-N 1 1 270.461 2.734 10 30 CFEEMO CCCCCCCC[N@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247031036 650895543 /nfs/dbraw/zinc/89/55/43/650895543.db2.gz PGNVQNJNDJONGJ-CVEARBPZSA-N 1 1 270.461 2.734 10 30 CFEEMO CCCCCCCCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247031036 650895546 /nfs/dbraw/zinc/89/55/46/650895546.db2.gz PGNVQNJNDJONGJ-CVEARBPZSA-N 1 1 270.461 2.734 10 30 CFEEMO CCCCCCCCN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247031036 650895547 /nfs/dbraw/zinc/89/55/47/650895547.db2.gz PGNVQNJNDJONGJ-CVEARBPZSA-N 1 1 270.461 2.734 10 30 CFEEMO C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCS1 ZINC000134342575 646331322 /nfs/dbraw/zinc/33/13/22/646331322.db2.gz INGMHKKPZKVSBG-ZDUSSCGKSA-N 1 1 276.405 2.764 10 30 CFEEMO C#CC[N@H+](CCC)[C@H]1CCc2c(cccc2OC)C1 ZINC000038920134 346340698 /nfs/dbraw/zinc/34/06/98/346340698.db2.gz ZVHIJOVVHDSZNQ-HNNXBMFYSA-N 1 1 257.377 2.898 10 30 CFEEMO CC[C@H](O)CC[N@@H+](CCCC#N)Cc1ccccc1 ZINC000039080403 346341419 /nfs/dbraw/zinc/34/14/19/346341419.db2.gz VQMUXIUYGPEKME-INIZCTEOSA-N 1 1 260.381 2.953 10 30 CFEEMO CC(C)[N@@H+]1CCC[C@@H](NCc2ccc(C#N)cc2)CC1 ZINC000086841019 179353883 /nfs/dbraw/zinc/35/38/83/179353883.db2.gz AMCQWJQMLACWHD-QGZVFWFLSA-N 1 1 271.408 2.911 10 30 CFEEMO CC(C)[N@H+]1CCC[C@@H](NCc2ccc(C#N)cc2)CC1 ZINC000086841019 179353885 /nfs/dbraw/zinc/35/38/85/179353885.db2.gz AMCQWJQMLACWHD-QGZVFWFLSA-N 1 1 271.408 2.911 10 30 CFEEMO [O-]/N=C1\CN(Cc2ccccc2)Cc2ccccc21 ZINC000222228188 348173453 /nfs/dbraw/zinc/17/34/53/348173453.db2.gz VKRXMFZLQOYISN-WUKNDPDISA-N 1 1 252.317 2.881 10 30 CFEEMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000251883625 348294887 /nfs/dbraw/zinc/29/48/87/348294887.db2.gz VOKDTMDKSZUDBW-ZWKOTPCHSA-N 1 1 284.403 2.994 10 30 CFEEMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCc2nccn2C1 ZINC000328643521 348441735 /nfs/dbraw/zinc/44/17/35/348441735.db2.gz RIKVHQDZIGXHJJ-ZDUSSCGKSA-N 1 1 298.365 2.588 10 30 CFEEMO Cc1ccc(C[N@H+]2CCC[C@H]2CCCO)cc1C#N ZINC000599282148 350406127 /nfs/dbraw/zinc/40/61/27/350406127.db2.gz OFACADVLPQPEQS-INIZCTEOSA-N 1 1 258.365 2.604 10 30 CFEEMO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000124289202 187130962 /nfs/dbraw/zinc/13/09/62/187130962.db2.gz DIKDBWFMTAWRRU-LBPRGKRZSA-N 1 1 291.420 2.500 10 30 CFEEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000124289202 187130963 /nfs/dbraw/zinc/13/09/63/187130963.db2.gz DIKDBWFMTAWRRU-LBPRGKRZSA-N 1 1 291.420 2.500 10 30 CFEEMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)CCN2)c1 ZINC000616633097 352393493 /nfs/dbraw/zinc/39/34/93/352393493.db2.gz IJAJDSROBGPBBZ-GOSISDBHSA-N 1 1 277.371 2.705 10 30 CFEEMO N#Cc1cccc([C@H]2CN(Cc3ccccc3)CC[NH2+]2)c1 ZINC000616633097 352393495 /nfs/dbraw/zinc/39/34/95/352393495.db2.gz IJAJDSROBGPBBZ-GOSISDBHSA-N 1 1 277.371 2.705 10 30 CFEEMO CC(C)(C)[N@H+]1CCOC[C@H](c2ccccc2C#N)C1 ZINC000616660749 352402577 /nfs/dbraw/zinc/40/25/77/352402577.db2.gz PXFXRJPHXQIUIJ-CQSZACIVSA-N 1 1 258.365 2.773 10 30 CFEEMO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000153746241 188101088 /nfs/dbraw/zinc/10/10/88/188101088.db2.gz BOJUIMNOJQKNDI-ZQIUZPCESA-N 1 1 271.408 2.938 10 30 CFEEMO CC(C)[N@@H+]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000153746241 188101089 /nfs/dbraw/zinc/10/10/89/188101089.db2.gz BOJUIMNOJQKNDI-ZQIUZPCESA-N 1 1 271.408 2.938 10 30 CFEEMO N#Cc1ccc(Cl)cc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000083798730 283149761 /nfs/dbraw/zinc/14/97/61/283149761.db2.gz UPSQJGSFWHUGSN-CQSZACIVSA-N 1 1 275.783 2.886 10 30 CFEEMO C=CCOc1cccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000179465975 189196216 /nfs/dbraw/zinc/19/62/16/189196216.db2.gz CNDHEILGHOZFHJ-INIZCTEOSA-N 1 1 298.390 2.680 10 30 CFEEMO Cc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301812279 201212119 /nfs/dbraw/zinc/21/21/19/201212119.db2.gz ZZJJTHYGDVLOKQ-GFCCVEGCSA-N 1 1 272.396 2.714 10 30 CFEEMO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000042288033 372899730 /nfs/dbraw/zinc/89/97/30/372899730.db2.gz JWLQRGSUYMAYAR-RDJZCZTQSA-N 1 1 286.375 2.580 10 30 CFEEMO N#Cc1ccccc1OCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000042288033 372899738 /nfs/dbraw/zinc/89/97/38/372899738.db2.gz JWLQRGSUYMAYAR-RDJZCZTQSA-N 1 1 286.375 2.580 10 30 CFEEMO C[C@@H](C#N)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000047979445 373137591 /nfs/dbraw/zinc/13/75/91/373137591.db2.gz QVAPYTRGUDKWED-QWHCGFSZSA-N 1 1 254.337 2.683 10 30 CFEEMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1cnccn1 ZINC000072480465 374255318 /nfs/dbraw/zinc/25/53/18/374255318.db2.gz DTZYWFRGBFDUFK-INIZCTEOSA-N 1 1 298.390 2.717 10 30 CFEEMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc(C#N)cc1F ZINC000092631309 375132535 /nfs/dbraw/zinc/13/25/35/375132535.db2.gz XMBCPMQQIWUACM-ZDUSSCGKSA-N 1 1 261.344 2.618 10 30 CFEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCCC#N ZINC000105896136 375793048 /nfs/dbraw/zinc/79/30/48/375793048.db2.gz GSMFUGAGOFXLBA-AWEZNQCLSA-N 1 1 260.385 2.868 10 30 CFEEMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(CC)o1 ZINC000124857765 377097127 /nfs/dbraw/zinc/09/71/27/377097127.db2.gz MWOUSRIGUKBCNA-CQSZACIVSA-N 1 1 276.380 2.671 10 30 CFEEMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(CC)o1 ZINC000124857765 377097134 /nfs/dbraw/zinc/09/71/34/377097134.db2.gz MWOUSRIGUKBCNA-CQSZACIVSA-N 1 1 276.380 2.671 10 30 CFEEMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000124958477 377104083 /nfs/dbraw/zinc/10/40/83/377104083.db2.gz HAFYCYIQXIWBCE-ZIAGYGMSSA-N 1 1 280.437 2.958 10 30 CFEEMO C=CCOc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000126945428 377254041 /nfs/dbraw/zinc/25/40/41/377254041.db2.gz UQCIEDXUPSSAGZ-ZIAGYGMSSA-N 1 1 261.365 2.861 10 30 CFEEMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000128022308 377313524 /nfs/dbraw/zinc/31/35/24/377313524.db2.gz MYFRKMXJNXGCNL-CABCVRRESA-N 1 1 277.412 2.501 10 30 CFEEMO Cn1cc([C@H]2CCC[N@H+]2CC(C)(C)CCC#N)cn1 ZINC000131976726 377785923 /nfs/dbraw/zinc/78/59/23/377785923.db2.gz IPCZKEMPQCZIBZ-CQSZACIVSA-N 1 1 260.385 2.887 10 30 CFEEMO Fc1ccc(C#CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000157270747 378652318 /nfs/dbraw/zinc/65/23/18/378652318.db2.gz DKFRWMGXVJITES-GOSISDBHSA-N 1 1 296.345 2.726 10 30 CFEEMO Fc1ccc(C#CC[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000157270747 378652322 /nfs/dbraw/zinc/65/23/22/378652322.db2.gz DKFRWMGXVJITES-GOSISDBHSA-N 1 1 296.345 2.726 10 30 CFEEMO N#Cc1ccc(F)cc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000160092174 378748787 /nfs/dbraw/zinc/74/87/87/378748787.db2.gz DDFJULLUJVTNLE-UHFFFAOYSA-N 1 1 298.365 2.806 10 30 CFEEMO C=C(C)C[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161691175 378865532 /nfs/dbraw/zinc/86/55/32/378865532.db2.gz XCYQBVDDIOZHJA-UHFFFAOYSA-N 1 1 250.361 2.765 10 30 CFEEMO C=C(C)CN(C)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000161691175 378865542 /nfs/dbraw/zinc/86/55/42/378865542.db2.gz XCYQBVDDIOZHJA-UHFFFAOYSA-N 1 1 250.361 2.765 10 30 CFEEMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000173624940 379758345 /nfs/dbraw/zinc/75/83/45/379758345.db2.gz JYRIPQYWYUPZGF-STQMWFEESA-N 1 1 295.390 2.898 10 30 CFEEMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000173624979 379758793 /nfs/dbraw/zinc/75/87/93/379758793.db2.gz JYRIPQYWYUPZGF-CHWSQXEVSA-N 1 1 295.390 2.898 10 30 CFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1OC ZINC000180832073 380704579 /nfs/dbraw/zinc/70/45/79/380704579.db2.gz GQIGRMWYVJGDRF-IAGOWNOFSA-N 1 1 299.418 2.625 10 30 CFEEMO N#Cc1ccc(C(F)(F)F)c(N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000185379720 381617955 /nfs/dbraw/zinc/61/79/55/381617955.db2.gz JPICKCWBWQVLDU-GFCCVEGCSA-N 1 1 295.308 2.861 10 30 CFEEMO C[C@@H](CNc1cc(Cl)ccc1C#N)[N@@H+]1CCOC[C@H]1C ZINC000301268973 382129523 /nfs/dbraw/zinc/12/95/23/382129523.db2.gz JAEXKKVLRRIHDC-NWDGAFQWSA-N 1 1 293.798 2.733 10 30 CFEEMO C[C@@H](CNc1cc(Cl)ccc1C#N)[N@H+]1CCOC[C@H]1C ZINC000301268973 382129530 /nfs/dbraw/zinc/12/95/30/382129530.db2.gz JAEXKKVLRRIHDC-NWDGAFQWSA-N 1 1 293.798 2.733 10 30 CFEEMO C=CC[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000189256604 382576408 /nfs/dbraw/zinc/57/64/08/382576408.db2.gz XDWZWNBWJKJNLX-SJORKVTESA-N 1 1 284.403 2.653 10 30 CFEEMO C=CCC[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190511674 382671743 /nfs/dbraw/zinc/67/17/43/382671743.db2.gz JKZYHHDNKQBXGN-HNNXBMFYSA-N 1 1 296.455 2.691 10 30 CFEEMO CCn1cc([C@@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)cn1 ZINC000190782194 382680378 /nfs/dbraw/zinc/68/03/78/382680378.db2.gz AJCPGGJZOQVAES-HNNXBMFYSA-N 1 1 290.411 2.606 10 30 CFEEMO CCn1cc([C@@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)cn1 ZINC000190782194 382680380 /nfs/dbraw/zinc/68/03/80/382680380.db2.gz AJCPGGJZOQVAES-HNNXBMFYSA-N 1 1 290.411 2.606 10 30 CFEEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)o1 ZINC000193635600 382721884 /nfs/dbraw/zinc/72/18/84/382721884.db2.gz WRYSBMSNZYUDGS-GFCCVEGCSA-N 1 1 283.331 2.749 10 30 CFEEMO N#Cc1cccc(OCC[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000217347452 382786007 /nfs/dbraw/zinc/78/60/07/382786007.db2.gz ZBVVWYFNWFEBFC-IAGOWNOFSA-N 1 1 286.375 2.580 10 30 CFEEMO C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000245941871 383051120 /nfs/dbraw/zinc/05/11/20/383051120.db2.gz VAISVUPMLRYONG-JYJNAYRXSA-N 1 1 293.455 2.999 10 30 CFEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000247544779 383182904 /nfs/dbraw/zinc/18/29/04/383182904.db2.gz PLEPYWCEYZCNMU-HOTGVXAUSA-N 1 1 298.390 2.649 10 30 CFEEMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000248627729 383275060 /nfs/dbraw/zinc/27/50/60/383275060.db2.gz PCVXHUTXAVPHSM-KKUMJFAQSA-N 1 1 264.413 2.674 10 30 CFEEMO C=C[C@@](C)(O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000253388689 383454803 /nfs/dbraw/zinc/45/48/03/383454803.db2.gz ALXXMKDEYFKHDO-IAGOWNOFSA-N 1 1 293.382 2.744 10 30 CFEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000179165561 393453054 /nfs/dbraw/zinc/45/30/54/393453054.db2.gz NNPSZQUOGVNLDC-QGZVFWFLSA-N 1 1 299.418 2.603 10 30 CFEEMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)s1)[C@H](C)CC ZINC000036101256 393522698 /nfs/dbraw/zinc/52/26/98/393522698.db2.gz 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/nfs/dbraw/zinc/09/05/84/175090584.db2.gz NLCYKHTURXRYQR-UHFFFAOYSA-N 1 1 251.395 2.570 10 30 CFEEMO CCCCC[N@@H+](C)Cc1ccc(C#CCO)s1 ZINC000043679580 175090587 /nfs/dbraw/zinc/09/05/87/175090587.db2.gz QEDROMDLVQDKAL-UHFFFAOYSA-N 1 1 251.395 2.714 10 30 CFEEMO C[N@@H+](Cc1cccs1)Cc1sccc1C#CCO ZINC000043679617 175090602 /nfs/dbraw/zinc/09/06/02/175090602.db2.gz AHKYOFAYWNUAIC-UHFFFAOYSA-N 1 1 277.414 2.785 10 30 CFEEMO CCn1cc([C@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)cn1 ZINC000191714419 262194554 /nfs/dbraw/zinc/19/45/54/262194554.db2.gz DLQOJXXSNIMRGO-OAHLLOKOSA-N 1 1 290.411 2.606 10 30 CFEEMO CCn1cc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)cn1 ZINC000191714419 262194555 /nfs/dbraw/zinc/19/45/55/262194555.db2.gz DLQOJXXSNIMRGO-OAHLLOKOSA-N 1 1 290.411 2.606 10 30 CFEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000252660829 288298950 /nfs/dbraw/zinc/29/89/50/288298950.db2.gz DZSZYMCKLXWQCM-CJNGLKHVSA-N 1 1 287.382 2.756 10 30 CFEEMO CCC(CC)[N@@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049618662 521543030 /nfs/dbraw/zinc/54/30/30/521543030.db2.gz JOCOPUNGTTYYQB-UHFFFAOYSA-N 1 1 263.356 2.790 10 30 CFEEMO CC[N@@H+](CC(C)C)[C@@H](C/C(N)=N/O)c1ccccc1 ZINC000055020945 520414350 /nfs/dbraw/zinc/41/43/50/520414350.db2.gz PLSMZYVCOVKTOS-AWEZNQCLSA-N 1 1 263.385 2.842 10 30 CFEEMO CCCC[N@@H+](Cc1ccc(F)c(C#CCO)c1)C1CC1 ZINC000049613888 520544187 /nfs/dbraw/zinc/54/41/87/520544187.db2.gz PEJAGWIHAKQOFK-UHFFFAOYSA-N 1 1 275.367 2.934 10 30 CFEEMO CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000069238190 520968421 /nfs/dbraw/zinc/96/84/21/520968421.db2.gz SZQNGVAENGNLIR-GFCCVEGCSA-N 1 1 271.364 2.617 10 30 CFEEMO CC[N@@H+](CCOc1ccc(C#CCCO)cc1)C(C)C ZINC000049617423 521149642 /nfs/dbraw/zinc/14/96/42/521149642.db2.gz AMUQBWCIRCQDBI-UHFFFAOYSA-N 1 1 275.392 2.530 10 30 CFEEMO CC[N@H+](Cc1ccccc1C#CCCO)CC1CC1 ZINC000069239034 521375972 /nfs/dbraw/zinc/37/59/72/521375972.db2.gz JPHGEMIBVSZLLO-UHFFFAOYSA-N 1 1 257.377 2.652 10 30 CFEEMO CCC[N@@H+](Cc1cc(C#CCO)ccc1OC)C(C)C ZINC000049617653 521681058 /nfs/dbraw/zinc/68/10/58/521681058.db2.gz BRGZOVYISAWXGG-UHFFFAOYSA-N 1 1 275.392 2.659 10 30 CFEEMO CC[C@H]1CCCC[N@H+]1CCOc1cccc(C#CCO)c1 ZINC000049617474 523028728 /nfs/dbraw/zinc/02/87/28/523028728.db2.gz MJJZNHVWBGAEKN-KRWDZBQOSA-N 1 1 287.403 2.674 10 30 CFEEMO CC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(C#CCO)c1 ZINC000049617494 523029485 /nfs/dbraw/zinc/02/94/85/523029485.db2.gz KYCCKUAIIYKESM-KRWDZBQOSA-N 1 1 287.403 2.804 10 30 CFEEMO C[N@@H+](Cc1ccc(C#CCCO)cc1F)C1CCCC1 ZINC000049617532 523205299 /nfs/dbraw/zinc/20/52/99/523205299.db2.gz DIAGCVILIPSTQB-UHFFFAOYSA-N 1 1 275.367 2.934 10 30 CFEEMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCCCC1=O ZINC000062749623 523298328 /nfs/dbraw/zinc/29/83/28/523298328.db2.gz NNOZZFJUCVCFFV-HNNXBMFYSA-N 1 1 256.349 2.892 10 30 CFEEMO C[N@H+](Cc1ccoc1)Cc1ccc(F)cc1C#CCCO ZINC000049614340 523474577 /nfs/dbraw/zinc/47/45/77/523474577.db2.gz PMFQXSAYVVTYJY-UHFFFAOYSA-N 1 1 287.334 2.785 10 30 CFEEMO C[N@@H+](Cc1ccoc1)Cc1ccc(F)cc1C#CCCO ZINC000049614340 523474589 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ZINC000049618179 524396179 /nfs/dbraw/zinc/39/61/79/524396179.db2.gz XXSPXRSYANXDRH-UHFFFAOYSA-N 1 1 269.344 2.564 10 30 CFEEMO C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#CCCO ZINC000049615760 526251719 /nfs/dbraw/zinc/25/17/19/526251719.db2.gz ALLUNHUYFQYIKF-AWEZNQCLSA-N 1 1 275.367 2.934 10 30 CFEEMO Cc1nn(CCCC[C@@](C)([NH3+])C#N)c(C)c1Cl ZINC000050588042 526279592 /nfs/dbraw/zinc/27/95/92/526279592.db2.gz UOCVHOKUASLWHP-GFCCVEGCSA-N 1 1 254.765 2.565 10 30 CFEEMO N#Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702223 526755014 /nfs/dbraw/zinc/75/50/14/526755014.db2.gz QEEHOMDDDDKMNG-MRXNPFEDSA-N 1 1 279.343 2.607 10 30 CFEEMO CCCCCCCC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246584108 650874889 /nfs/dbraw/zinc/87/48/89/650874889.db2.gz WGVIMIUSFYOTFG-SJORKVTESA-N 1 1 282.472 2.999 10 30 CFEEMO CCCCCCC[N@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000247036303 650895502 /nfs/dbraw/zinc/89/55/02/650895502.db2.gz PQHXVUKCIOIYPU-CVEARBPZSA-N 1 1 270.461 2.734 10 30 CFEEMO CCCCCCCN1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000247036303 650895505 /nfs/dbraw/zinc/89/55/05/650895505.db2.gz PQHXVUKCIOIYPU-CVEARBPZSA-N 1 1 270.461 2.734 10 30 CFEEMO CCCCCCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000247036303 650895513 /nfs/dbraw/zinc/89/55/13/650895513.db2.gz PQHXVUKCIOIYPU-CVEARBPZSA-N 1 1 270.461 2.734 10 30 CFEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCS[C@@H](C)C2)cc1 ZINC000131348512 645705371 /nfs/dbraw/zinc/70/53/71/645705371.db2.gz MQTIXYXAYMFXHR-STQMWFEESA-N 1 1 276.405 2.915 10 30 CFEEMO N#Cc1ccc(OCCC[N@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000117690393 651287183 /nfs/dbraw/zinc/28/71/83/651287183.db2.gz BLVRCJXNOCVKLA-GOEBONIOSA-N 1 1 256.349 2.811 10 30 CFEEMO C=CC[C@H]1CCC[N@H+](Cc2ncccc2C(=O)OC)C1 ZINC000595657605 349692079 /nfs/dbraw/zinc/69/20/79/349692079.db2.gz CRJMKGYQDRIGEX-ZDUSSCGKSA-N 1 1 274.364 2.656 10 30 CFEEMO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cc1OC ZINC000054825263 346577265 /nfs/dbraw/zinc/57/72/65/346577265.db2.gz CSOGRMJBBHNZNT-UONOGXRCSA-N 1 1 274.364 2.876 10 30 CFEEMO Cc1cccc[n+]1C(C#N)C(=S)Nc1ccccc1 ZINC000096474716 347702360 /nfs/dbraw/zinc/70/23/60/347702360.db2.gz XBZRPWNFSCZKCG-CQSZACIVSA-O 1 1 268.365 2.787 10 30 CFEEMO C#C[C@@H]([NH3+])c1cc(Br)c(Br)s1 ZINC000130086448 347867667 /nfs/dbraw/zinc/86/76/67/347867667.db2.gz VRMAGVPDSLBJTJ-RXMQYKEDSA-N 1 1 294.999 2.906 10 30 CFEEMO C#C[C@H]([NH2+]CC)c1cc(F)ccc1Br ZINC000130170111 347868322 /nfs/dbraw/zinc/86/83/22/347868322.db2.gz ABWUUYHHIUXUQK-NSHDSACASA-N 1 1 256.118 2.872 10 30 CFEEMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1CCCO ZINC000165473325 348039974 /nfs/dbraw/zinc/03/99/74/348039974.db2.gz FMIKJXPCAFVWSX-MRXNPFEDSA-N 1 1 258.365 2.604 10 30 CFEEMO CC[N@H+]1CCC[C@@](C#N)(Nc2ccc(OC)cc2)CC1 ZINC000086849065 179358096 /nfs/dbraw/zinc/35/80/96/179358096.db2.gz GYOAJDYYHRKSMB-MRXNPFEDSA-N 1 1 273.380 2.875 10 30 CFEEMO C#C[C@@H]([NH2+]C)c1cc(Cl)ccc1Br ZINC000234448560 348220101 /nfs/dbraw/zinc/22/01/01/348220101.db2.gz OQBBMEZYWSOENG-SNVBAGLBSA-N 1 1 258.546 2.996 10 30 CFEEMO N#Cc1ccc(Oc2cn[nH]c2[C@@H]2CCC[NH2+]C2)cc1 ZINC000584599175 348685121 /nfs/dbraw/zinc/68/51/21/348685121.db2.gz QPIMMRJMQVCLPX-GFCCVEGCSA-N 1 1 268.320 2.541 10 30 CFEEMO Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCC[NH2+]1 ZINC000584610912 348689271 /nfs/dbraw/zinc/68/92/71/348689271.db2.gz CTTNNQRJCWZJFG-JFEKIERCSA-N 1 1 273.163 2.870 10 30 CFEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000599417832 350433736 /nfs/dbraw/zinc/43/37/36/350433736.db2.gz WBJSHEQJWFBGIQ-ONGXEEELSA-N 1 1 269.270 2.882 10 30 CFEEMO COCC#CC[NH2+][C@H](C)c1ccccc1Br ZINC000309653193 539805205 /nfs/dbraw/zinc/80/52/05/539805205.db2.gz OVOXUUPXZVMMJG-LLVKDONJSA-N 1 1 282.181 2.750 10 30 CFEEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)c1 ZINC000123093182 187070972 /nfs/dbraw/zinc/07/09/72/187070972.db2.gz MXRUEAAVRBTSLC-AWEZNQCLSA-N 1 1 286.404 2.962 10 30 CFEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(OC)c(C#N)c1 ZINC000180834915 189278256 /nfs/dbraw/zinc/27/82/56/189278256.db2.gz RMUZRVRLQHTIHR-DLBZAZTESA-N 1 1 299.418 2.625 10 30 CFEEMO C=CC[C@](O)(CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000027346170 372338869 /nfs/dbraw/zinc/33/88/69/372338869.db2.gz TVUUCRALGQEQKO-INIZCTEOSA-N 1 1 295.810 2.826 10 30 CFEEMO C#CC[NH2+]Cc1cc(Cl)cc(OC)c1OCCC ZINC000045945368 373038522 /nfs/dbraw/zinc/03/85/22/373038522.db2.gz OUOBZKMFPKNDMT-UHFFFAOYSA-N 1 1 267.756 2.860 10 30 CFEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000061892436 373739371 /nfs/dbraw/zinc/73/93/71/373739371.db2.gz CKWKWUNNCJRMHI-GOEBONIOSA-N 1 1 266.348 2.654 10 30 CFEEMO CC[N@H+]1CCC[C@@H]1CN(C)c1cccc(F)c1C#N ZINC000093232601 375198330 /nfs/dbraw/zinc/19/83/30/375198330.db2.gz BQXBIBLKXNEFPH-GFCCVEGCSA-N 1 1 261.344 2.618 10 30 CFEEMO Cn1cc([C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)cn1 ZINC000128557376 377347007 /nfs/dbraw/zinc/34/70/07/377347007.db2.gz FQURUDJWBLZIQQ-CYBMUJFWSA-N 1 1 260.385 2.539 10 30 CFEEMO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC000130762639 377608966 /nfs/dbraw/zinc/60/89/66/377608966.db2.gz PEIPKOPJULBYME-CYBMUJFWSA-N 1 1 277.437 2.830 10 30 CFEEMO CC(C)C[N@H+]1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC000130762639 377608972 /nfs/dbraw/zinc/60/89/72/377608972.db2.gz PEIPKOPJULBYME-CYBMUJFWSA-N 1 1 277.437 2.830 10 30 CFEEMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000151172104 378304132 /nfs/dbraw/zinc/30/41/32/378304132.db2.gz AFFAHJLYBLWJMA-HNNXBMFYSA-N 1 1 264.413 2.698 10 30 CFEEMO C=CCN(CCO)c1cc[nH+]c2cc(Cl)ccc21 ZINC000157707345 378659205 /nfs/dbraw/zinc/65/92/05/378659205.db2.gz SAPAIACUXNPVFT-UHFFFAOYSA-N 1 1 262.740 2.873 10 30 CFEEMO N#CCc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000334419583 379267327 /nfs/dbraw/zinc/26/73/27/379267327.db2.gz QCIXSMHOWJHNTB-DLBZAZTESA-N 1 1 270.376 2.896 10 30 CFEEMO C=CC[N@@H+](Cc1nnc(CC)n1C)CC1CCCCC1 ZINC000171963477 379453424 /nfs/dbraw/zinc/45/34/24/379453424.db2.gz IEUNMWPBGQSZMX-UHFFFAOYSA-N 1 1 276.428 2.946 10 30 CFEEMO C=CC[N@H+](Cc1nnc(CC)n1C)CC1CCCCC1 ZINC000171963477 379453433 /nfs/dbraw/zinc/45/34/33/379453433.db2.gz 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/nfs/dbraw/zinc/30/41/52/175304152.db2.gz VETCVXQIEPXHFO-UHFFFAOYSA-N 1 1 265.422 2.960 10 30 CFEEMO C[N@@H+](Cc1sccc1C#CCO)CC(C)(C)C ZINC000045086833 175304182 /nfs/dbraw/zinc/30/41/82/175304182.db2.gz HFIGMYSNSGFIDV-UHFFFAOYSA-N 1 1 251.395 2.570 10 30 CFEEMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000249713148 261257292 /nfs/dbraw/zinc/25/72/92/261257292.db2.gz ZIOFHNZLPWPPRL-UONOGXRCSA-N 1 1 264.413 2.578 10 30 CFEEMO CCn1cc([C@@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)cn1 ZINC000191714403 262194377 /nfs/dbraw/zinc/19/43/77/262194377.db2.gz DLQOJXXSNIMRGO-HNNXBMFYSA-N 1 1 290.411 2.606 10 30 CFEEMO CCn1cc([C@@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)cn1 ZINC000191714403 262194379 /nfs/dbraw/zinc/19/43/79/262194379.db2.gz DLQOJXXSNIMRGO-HNNXBMFYSA-N 1 1 290.411 2.606 10 30 CFEEMO C#CCCOc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000126930818 264225466 /nfs/dbraw/zinc/22/54/66/264225466.db2.gz IJXIXNAFAKHKNK-HUUCEWRRSA-N 1 1 273.376 2.698 10 30 CFEEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000399214540 267222896 /nfs/dbraw/zinc/22/28/96/267222896.db2.gz SQSQACZCHNGHJQ-GXFFZTMASA-N 1 1 264.756 2.557 10 30 CFEEMO C[C@H](CCC#N)[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000411667484 328098130 /nfs/dbraw/zinc/09/81/30/328098130.db2.gz IAQBSNDZUHZTIZ-LXTVHRRPSA-N 1 1 250.386 2.694 10 30 CFEEMO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000185730576 329330765 /nfs/dbraw/zinc/33/07/65/329330765.db2.gz PCVXHUTXAVPHSM-SOUVJXGZSA-N 1 1 264.413 2.674 10 30 CFEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCCC(C)(C)C#N ZINC000252606212 334383162 /nfs/dbraw/zinc/38/31/62/334383162.db2.gz QJDFWZZPVHCEHI-CABCVRRESA-N 1 1 263.429 2.875 10 30 CFEEMO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCCC(C)(C)C#N ZINC000252606212 334383164 /nfs/dbraw/zinc/38/31/64/334383164.db2.gz QJDFWZZPVHCEHI-CABCVRRESA-N 1 1 263.429 2.875 10 30 CFEEMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCCC(C)(C)C#N ZINC000252606212 334383166 /nfs/dbraw/zinc/38/31/66/334383166.db2.gz QJDFWZZPVHCEHI-CABCVRRESA-N 1 1 263.429 2.875 10 30 CFEEMO CC[N@@H+](CC[C@H](C#N)NC(C)C)C1CCCCC1 ZINC000062368346 521158346 /nfs/dbraw/zinc/15/83/46/521158346.db2.gz LLAQIROPXSHRHF-CQSZACIVSA-N 1 1 251.418 2.921 10 30 CFEEMO CCC[N@@H+](CCOc1ccc(C#CCO)cc1)C(C)C ZINC000049617648 521668811 /nfs/dbraw/zinc/66/88/11/521668811.db2.gz KQYCKNYOQVGBME-UHFFFAOYSA-N 1 1 275.392 2.530 10 30 CFEEMO CCC[N@@H+](Cc1ccc(F)c(C#CCO)c1)C(C)C ZINC000049617663 521683638 /nfs/dbraw/zinc/68/36/38/521683638.db2.gz ZOTWCIAPDZGDKQ-UHFFFAOYSA-N 1 1 263.356 2.790 10 30 CFEEMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1C#N)C1CC1 ZINC000055386779 519709918 /nfs/dbraw/zinc/70/99/18/519709918.db2.gz DLARXZPBPAKJOS-UHFFFAOYSA-N 1 1 271.364 2.617 10 30 CFEEMO CC(C)[C@@H](C)[N@@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049618541 519791216 /nfs/dbraw/zinc/79/12/16/519791216.db2.gz NNSAYUMNFZOPHM-MRXNPFEDSA-N 1 1 289.419 2.776 10 30 CFEEMO CC[N@H+](Cc1ccc(C#CCO)cc1F)CC(C)C ZINC000049617259 521297944 /nfs/dbraw/zinc/29/79/44/521297944.db2.gz SARDKXIPPYOBAC-UHFFFAOYSA-N 1 1 263.356 2.647 10 30 CFEEMO CCC[N@@H+](C(C)C)[C@H](C/C(N)=N/O)c1ccccc1 ZINC000055020917 521452087 /nfs/dbraw/zinc/45/20/87/521452087.db2.gz UHKIOMOLEYQBKR-CQSZACIVSA-N 1 1 263.385 2.985 10 30 CFEEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1F ZINC000223555680 521630752 /nfs/dbraw/zinc/63/07/52/521630752.db2.gz POSGXLOTLJNIFR-OAHLLOKOSA-N 1 1 275.371 2.613 10 30 CFEEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc(C#N)c1F ZINC000223555729 521653575 /nfs/dbraw/zinc/65/35/75/521653575.db2.gz POSGXLOTLJNIFR-HNNXBMFYSA-N 1 1 275.371 2.613 10 30 CFEEMO CCC[N@@H+](Cc1ccc(F)cc1C#CCO)C1CC1 ZINC000049617697 521684501 /nfs/dbraw/zinc/68/45/01/521684501.db2.gz LFVSFOHEOPCZEE-UHFFFAOYSA-N 1 1 261.340 2.544 10 30 CFEEMO CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C#CCCO)c1 ZINC000049617182 522064125 /nfs/dbraw/zinc/06/41/25/522064125.db2.gz QWNVSWMBQCPLJH-CQSZACIVSA-N 1 1 275.392 2.659 10 30 CFEEMO CC[C@H]1CCC[N@@H+](CCOc2cccc(C#CCO)c2)C1 ZINC000049613036 523087256 /nfs/dbraw/zinc/08/72/56/523087256.db2.gz PNIHZZNVCPBBAF-INIZCTEOSA-N 1 1 287.403 2.531 10 30 CFEEMO CC[C@@H]1CCCC[N@H+]1Cc1cccc(C#CCO)c1 ZINC000049617499 523179037 /nfs/dbraw/zinc/17/90/37/523179037.db2.gz VMSIOXPXGRBKMQ-QGZVFWFLSA-N 1 1 257.377 2.795 10 30 CFEEMO C[N@H+](Cc1ccc(C#CCO)cc1)Cc1ccccc1F ZINC000049614305 523207506 /nfs/dbraw/zinc/20/75/06/523207506.db2.gz NUIWMAJVSYVKEF-UHFFFAOYSA-N 1 1 283.346 2.802 10 30 CFEEMO C[N@@H+](Cc1ccc(C#CCO)cc1)Cc1ccccc1F ZINC000049614305 523207521 /nfs/dbraw/zinc/20/75/21/523207521.db2.gz NUIWMAJVSYVKEF-UHFFFAOYSA-N 1 1 283.346 2.802 10 30 CFEEMO C[N@H+](Cc1ccco1)Cc1ccc(F)cc1C#CCCO ZINC000049618217 523436889 /nfs/dbraw/zinc/43/68/89/523436889.db2.gz LUVSQXWKJUWCJK-UHFFFAOYSA-N 1 1 287.334 2.785 10 30 CFEEMO C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1C#CCCO ZINC000049618217 523436893 /nfs/dbraw/zinc/43/68/93/523436893.db2.gz LUVSQXWKJUWCJK-UHFFFAOYSA-N 1 1 287.334 2.785 10 30 CFEEMO COc1ccc(C#CCCO)cc1C[N@H+]1CCCC[C@H]1C ZINC000049615701 523510879 /nfs/dbraw/zinc/51/08/79/523510879.db2.gz BSHXKSZJAAHWPZ-OAHLLOKOSA-N 1 1 287.403 2.804 10 30 CFEEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000195520291 523601236 /nfs/dbraw/zinc/60/12/36/523601236.db2.gz ADRRKKLFRDMLNT-MRXNPFEDSA-N 1 1 295.390 2.549 10 30 CFEEMO COc1ccc(C[N@@H+](C)CC(C)C)cc1C#CCCO ZINC000049617754 524001845 /nfs/dbraw/zinc/00/18/45/524001845.db2.gz AIJKRSXSQHUUEW-UHFFFAOYSA-N 1 1 275.392 2.517 10 30 CFEEMO COc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1C#CCO ZINC000049618586 524009436 /nfs/dbraw/zinc/00/94/36/524009436.db2.gz NIBLNMAAUWMCJE-CQSZACIVSA-N 1 1 275.392 2.515 10 30 CFEEMO COc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1C#CCCO ZINC000049618560 524009707 /nfs/dbraw/zinc/00/97/07/524009707.db2.gz JJIRSYCHWXPIFS-HNNXBMFYSA-N 1 1 289.419 2.905 10 30 CFEEMO C[C@H]1CCC[N@@H+](CCOc2cccc(C#CCCO)c2)C1 ZINC000049615989 524092245 /nfs/dbraw/zinc/09/22/45/524092245.db2.gz LGVAORPWOVQZSU-INIZCTEOSA-N 1 1 287.403 2.531 10 30 CFEEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049616926 524363435 /nfs/dbraw/zinc/36/34/35/524363435.db2.gz KJOSGJDKZUKWPY-OKILXGFUSA-N 1 1 275.367 2.932 10 30 CFEEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccccc1C#CCO ZINC000049616890 524363834 /nfs/dbraw/zinc/36/38/34/524363834.db2.gz VWUFYQAETLAVQC-GASCZTMLSA-N 1 1 257.377 2.793 10 30 CFEEMO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000049149432 524593400 /nfs/dbraw/zinc/59/34/00/524593400.db2.gz UBQDXQXHMIQDJW-KBPBESRZSA-N 1 1 257.381 2.693 10 30 CFEEMO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000049151371 524596020 /nfs/dbraw/zinc/59/60/20/524596020.db2.gz GNJTUJIOCZMSMK-KBPBESRZSA-N 1 1 257.381 2.693 10 30 CFEEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000083704540 524686164 /nfs/dbraw/zinc/68/61/64/524686164.db2.gz DZSZYMCKLXWQCM-XJKSGUPXSA-N 1 1 287.382 2.756 10 30 CFEEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C#CCO)c1 ZINC000050566732 525641427 /nfs/dbraw/zinc/64/14/27/525641427.db2.gz HIPLMWYFOXJOHZ-LSDHHAIUSA-N 1 1 257.377 2.651 10 30 CFEEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000050566736 525642688 /nfs/dbraw/zinc/64/26/88/525642688.db2.gz WKRVFUFYXJDHOM-UONOGXRCSA-N 1 1 275.367 2.790 10 30 CFEEMO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)cn1 ZINC000191991892 527317353 /nfs/dbraw/zinc/31/73/53/527317353.db2.gz KXDFSZXEJHPEBL-MRXNPFEDSA-N 1 1 284.338 2.768 10 30 CFEEMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)cn1 ZINC000191991892 527317358 /nfs/dbraw/zinc/31/73/58/527317358.db2.gz KXDFSZXEJHPEBL-MRXNPFEDSA-N 1 1 284.338 2.768 10 30 CFEEMO CCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000329223953 528231525 /nfs/dbraw/zinc/23/15/25/528231525.db2.gz YVLYRPPFDSRCTP-KGLIPLIRSA-N 1 1 295.427 2.964 10 30 CFEEMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000188419563 618171531 /nfs/dbraw/zinc/17/15/31/618171531.db2.gz PCVVTBXYVKVNRV-QGZVFWFLSA-N 1 1 295.386 2.560 10 30 CFEEMO N#Cc1ccc(OCCC[N@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000117690395 651287430 /nfs/dbraw/zinc/28/74/30/651287430.db2.gz BLVRCJXNOCVKLA-HOCLYGCPSA-N 1 1 256.349 2.811 10 30 CFEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000127701669 187327664 /nfs/dbraw/zinc/32/76/64/187327664.db2.gz VSTLGGDKTSFFFV-IAGOWNOFSA-N 1 1 296.374 2.542 10 30 CFEEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000182007465 282102735 /nfs/dbraw/zinc/10/27/35/282102735.db2.gz QIKABFNLEACCFH-ABAIWWIYSA-N 1 1 281.363 2.644 10 30 CFEEMO C=C(Br)C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273115576 192047086 /nfs/dbraw/zinc/04/70/86/192047086.db2.gz OTBKMGHRECKAJO-LLVKDONJSA-N 1 1 290.588 2.872 10 30 CFEEMO C#CCCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000123640825 347820624 /nfs/dbraw/zinc/82/06/24/347820624.db2.gz MBUBPNQZQNYXHN-INIZCTEOSA-N 1 1 286.419 2.817 10 30 CFEEMO CC#CC[NH2+]Cc1ccc(C)cc1Br ZINC000160588322 348018861 /nfs/dbraw/zinc/01/88/61/348018861.db2.gz DQIJCEIKGJXZBH-UHFFFAOYSA-N 1 1 252.155 2.870 10 30 CFEEMO C[C@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccc(C#N)cc1 ZINC000086817883 179346070 /nfs/dbraw/zinc/34/60/70/179346070.db2.gz PAXBTEMLDIGBJH-XJKSGUPXSA-N 1 1 257.381 2.693 10 30 CFEEMO CC[N@H+]1CCC[C@](C#N)(Nc2ccc(OC)cc2)CC1 ZINC000086849067 179358162 /nfs/dbraw/zinc/35/81/62/179358162.db2.gz GYOAJDYYHRKSMB-INIZCTEOSA-N 1 1 273.380 2.875 10 30 CFEEMO Cc1cc(C#N)ccc1CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000229150775 348199088 /nfs/dbraw/zinc/19/90/88/348199088.db2.gz UFPKNHCJDZHBAI-CRAIPNDOSA-N 1 1 283.419 2.925 10 30 CFEEMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000229150775 348199092 /nfs/dbraw/zinc/19/90/92/348199092.db2.gz UFPKNHCJDZHBAI-CRAIPNDOSA-N 1 1 283.419 2.925 10 30 CFEEMO C#CC[NH+]1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC000584651814 348701887 /nfs/dbraw/zinc/70/18/87/348701887.db2.gz SCMBZRFWFXPSFY-UHFFFAOYSA-N 1 1 269.175 2.749 10 30 CFEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1OC ZINC000180838509 189279031 /nfs/dbraw/zinc/27/90/31/189279031.db2.gz BCWYZFDJKVOXQF-DLBZAZTESA-N 1 1 299.418 2.625 10 30 CFEEMO CC(C)(C)NC1=NC(=O)N(C(C)(C)C)[C@@H]1[NH2+]C(C)(C)C ZINC000019958504 372216291 /nfs/dbraw/zinc/21/62/91/372216291.db2.gz NMNFONWSEMOPKM-NSHDSACASA-N 1 1 282.432 2.721 10 30 CFEEMO N#Cc1ccc(OCC[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000042251450 372896448 /nfs/dbraw/zinc/89/64/48/372896448.db2.gz LJDVXUJCMLZPNY-IRXDYDNUSA-N 1 1 286.375 2.580 10 30 CFEEMO N#Cc1cc(F)c(N2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000083420590 374744497 /nfs/dbraw/zinc/74/44/97/374744497.db2.gz SBOIIFLYSNNOTL-GFCCVEGCSA-N 1 1 277.318 2.511 10 30 CFEEMO N#Cc1cc(F)c(N2CC[N@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000083420590 374744504 /nfs/dbraw/zinc/74/45/04/374744504.db2.gz SBOIIFLYSNNOTL-GFCCVEGCSA-N 1 1 277.318 2.511 10 30 CFEEMO C#CCOc1ccccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000092810906 375157725 /nfs/dbraw/zinc/15/77/25/375157725.db2.gz ZQDZCNBAYWXJGG-UHFFFAOYSA-N 1 1 295.386 2.801 10 30 CFEEMO C=CCOc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128416854 377334298 /nfs/dbraw/zinc/33/42/98/377334298.db2.gz WFACRMYIZGTTSA-INIZCTEOSA-N 1 1 297.402 2.974 10 30 CFEEMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135110158 378082751 /nfs/dbraw/zinc/08/27/51/378082751.db2.gz IKFWXTAGDPYLRM-MRXNPFEDSA-N 1 1 299.418 2.540 10 30 CFEEMO C=C(Br)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000151108801 378296000 /nfs/dbraw/zinc/29/60/00/378296000.db2.gz XTVWGUFGOBJWIX-LBPRGKRZSA-N 1 1 296.212 2.724 10 30 CFEEMO C=C(Br)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000151108801 378296008 /nfs/dbraw/zinc/29/60/08/378296008.db2.gz XTVWGUFGOBJWIX-LBPRGKRZSA-N 1 1 296.212 2.724 10 30 CFEEMO CCCCCCC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000158069457 378662362 /nfs/dbraw/zinc/66/23/62/378662362.db2.gz AFQILQLPXPZLFY-OAHLLOKOSA-N 1 1 264.417 2.961 10 30 CFEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000158997500 378680620 /nfs/dbraw/zinc/68/06/20/378680620.db2.gz LLVGIZUXBFZJTR-LSDHHAIUSA-N 1 1 263.429 2.875 10 30 CFEEMO N#Cc1cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)ccc1F ZINC000160722357 378793148 /nfs/dbraw/zinc/79/31/48/378793148.db2.gz RFYCQTKETYNBGH-NVXWUHKLSA-N 1 1 288.366 2.824 10 30 CFEEMO N#CCCCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171037687 379215201 /nfs/dbraw/zinc/21/52/01/379215201.db2.gz SYHCHSYEIFHGHG-AWEZNQCLSA-N 1 1 258.369 2.509 10 30 CFEEMO C=CCCCCC[N@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000193338485 382718900 /nfs/dbraw/zinc/71/89/00/382718900.db2.gz NOUVOJNDUMRCKE-QGZVFWFLSA-N 1 1 291.439 2.947 10 30 CFEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1OC ZINC000245943745 383051317 /nfs/dbraw/zinc/05/13/17/383051317.db2.gz BCWYZFDJKVOXQF-IRXDYDNUSA-N 1 1 299.418 2.625 10 30 CFEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000249283371 383336764 /nfs/dbraw/zinc/33/67/64/383336764.db2.gz OHZIZLXOUIEXKR-CZUORRHYSA-N 1 1 280.375 2.842 10 30 CFEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC#Cc1ccccc1 ZINC000248840947 383296647 /nfs/dbraw/zinc/29/66/47/383296647.db2.gz LKIVZOXGJHLOGF-ROUUACIJSA-N 1 1 268.404 2.597 10 30 CFEEMO CC(C)(C#N)CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252475894 383410344 /nfs/dbraw/zinc/41/03/44/383410344.db2.gz JXRPJRUYVXXMES-ZFWWWQNUSA-N 1 1 250.386 2.553 10 30 CFEEMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)s1)[C@@H](C)CC ZINC000036101259 393522102 /nfs/dbraw/zinc/52/21/02/393522102.db2.gz BJYDSNDJZITGCK-ZFWWWQNUSA-N 1 1 295.448 2.668 10 30 CFEEMO C[C@H](CCC#N)[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000411667487 393737432 /nfs/dbraw/zinc/73/74/32/393737432.db2.gz IAQBSNDZUHZTIZ-TUVASFSCSA-N 1 1 250.386 2.694 10 30 CFEEMO CCOCCN1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1CC ZINC000121021454 393945764 /nfs/dbraw/zinc/94/57/64/393945764.db2.gz IRQPJPHJFNPWKV-MRXNPFEDSA-N 1 1 295.471 2.749 10 30 CFEEMO CC#CCC[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000155751948 394322273 /nfs/dbraw/zinc/32/22/73/394322273.db2.gz MVMGHRYDNHDVAC-OAHLLOKOSA-N 1 1 257.381 2.537 10 30 CFEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000162922426 397605177 /nfs/dbraw/zinc/60/51/77/397605177.db2.gz DIJABWJQZCJTFB-SWLSCSKDSA-N 1 1 289.810 2.880 10 30 CFEEMO C=CCNC(=S)N/[NH+]=C/c1ccc(N(CC)CC)cc1 ZINC000006318332 170190961 /nfs/dbraw/zinc/19/09/61/170190961.db2.gz CHVFSRADDFSRQU-SFQUDFHCSA-N 1 1 290.436 2.517 10 30 CFEEMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)c2ccc(C#N)cc2)C1 ZINC000009997501 170394095 /nfs/dbraw/zinc/39/40/95/170394095.db2.gz CUKZRHYWUDVKHJ-BETUJISGSA-N 1 1 256.349 2.719 10 30 CFEEMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)c2ccc(C#N)cc2)C1 ZINC000009997501 170394096 /nfs/dbraw/zinc/39/40/96/170394096.db2.gz CUKZRHYWUDVKHJ-BETUJISGSA-N 1 1 256.349 2.719 10 30 CFEEMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)c2ccc(C#N)cc2)C1 ZINC000009997503 170394281 /nfs/dbraw/zinc/39/42/81/170394281.db2.gz CUKZRHYWUDVKHJ-CHWSQXEVSA-N 1 1 256.349 2.719 10 30 CFEEMO CC(C)[C@H](CN[C@H](C)c1ccc(C#N)cc1)[NH+](C)C ZINC000020145608 171030819 /nfs/dbraw/zinc/03/08/19/171030819.db2.gz GTCMSAJKDJVXFZ-CJNGLKHVSA-N 1 1 259.397 2.795 10 30 CFEEMO CC(C)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)[NH+](C)C ZINC000020145605 171031007 /nfs/dbraw/zinc/03/10/07/171031007.db2.gz GTCMSAJKDJVXFZ-XJKSGUPXSA-N 1 1 259.397 2.795 10 30 CFEEMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N ZINC000035360824 172152292 /nfs/dbraw/zinc/15/22/92/172152292.db2.gz GPAVALXHVUNNSD-UHFFFAOYSA-N 1 1 251.333 2.772 10 30 CFEEMO C=CCOc1ccccc1C[NH2+]Cc1ccnc(C)n1 ZINC000037997758 173960041 /nfs/dbraw/zinc/96/00/41/173960041.db2.gz GXIBZXCVVRDMDS-UHFFFAOYSA-N 1 1 269.348 2.640 10 30 CFEEMO CN(Cc1cc(C#CC[NH3+])cs1)Cc1cccc(F)c1 ZINC000043688862 175095930 /nfs/dbraw/zinc/09/59/30/175095930.db2.gz PZMUZKAASFKIST-UHFFFAOYSA-N 1 1 288.391 2.829 10 30 CFEEMO C[N@H+]1CCCC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000044563229 175206378 /nfs/dbraw/zinc/20/63/78/175206378.db2.gz RQQVRVPBZIOQBN-OAHLLOKOSA-N 1 1 284.407 2.728 10 30 CFEEMO C[N@@H+](Cc1ccccc1C#CCCO)CC(C)(C)C ZINC000045086791 175304320 /nfs/dbraw/zinc/30/43/20/175304320.db2.gz AHJJMSWRYPLYSL-UHFFFAOYSA-N 1 1 259.393 2.898 10 30 CFEEMO CCCCC[N@@H+](C)Cc1ccc(F)cc1/C(N)=N/O ZINC000071266801 176100622 /nfs/dbraw/zinc/10/06/22/176100622.db2.gz VNPYABICPOZFKS-UHFFFAOYSA-N 1 1 267.348 2.542 10 30 CFEEMO Cc1cccnc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000071340148 176129741 /nfs/dbraw/zinc/12/97/41/176129741.db2.gz ASJVXSWQKXITOM-UHFFFAOYSA-N 1 1 255.296 2.691 10 30 CFEEMO CC(C)c1ccc(C[NH+]2CCN([C@H](C)C#N)CC2)cc1 ZINC000070136433 328396562 /nfs/dbraw/zinc/39/65/62/328396562.db2.gz BRZCAXDXOWESOV-OAHLLOKOSA-N 1 1 271.408 2.840 10 30 CFEEMO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000188421169 329368571 /nfs/dbraw/zinc/36/85/71/329368571.db2.gz RLDUDDYDZRLZCN-NVXWUHKLSA-N 1 1 296.455 2.548 10 30 CFEEMO C=C[C@](C)(CC)C(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000188421169 329368573 /nfs/dbraw/zinc/36/85/73/329368573.db2.gz RLDUDDYDZRLZCN-NVXWUHKLSA-N 1 1 296.455 2.548 10 30 CFEEMO C#CCOc1c(C[NH2+]Cc2ccco2)cccc1OCC ZINC000045945906 330350113 /nfs/dbraw/zinc/35/01/13/330350113.db2.gz GIWWAHOUSAJKBN-UHFFFAOYSA-N 1 1 285.343 2.980 10 30 CFEEMO CC(C)c1[nH+]ccn1Cc1ccc(F)c(C#CCO)c1 ZINC000049619228 519880337 /nfs/dbraw/zinc/88/03/37/519880337.db2.gz HSJWMAVOOCJCRI-UHFFFAOYSA-N 1 1 272.323 2.538 10 30 CFEEMO CC[N@@H+](CC[C@@H](C#N)NC(C)C)C1CCCCC1 ZINC000062368342 521155602 /nfs/dbraw/zinc/15/56/02/521155602.db2.gz LLAQIROPXSHRHF-AWEZNQCLSA-N 1 1 251.418 2.921 10 30 CFEEMO CC[N@H+](Cc1ccc(C#CCCO)cc1)CC(C)C ZINC000049617241 521296946 /nfs/dbraw/zinc/29/69/46/521296946.db2.gz CPCWEQVAEUNSAT-UHFFFAOYSA-N 1 1 259.393 2.898 10 30 CFEEMO C[N@@H+](CCOc1ccc(C#CCCO)cc1)C1CCCC1 ZINC000049617523 522905742 /nfs/dbraw/zinc/90/57/42/522905742.db2.gz UZDJOWNTTUQIDQ-UHFFFAOYSA-N 1 1 287.403 2.674 10 30 CFEEMO C[N@@H+](Cc1ccccc1C#CCCO)C1CCCC1 ZINC000049617525 523357391 /nfs/dbraw/zinc/35/73/91/523357391.db2.gz QFUGUNGNHHUOBC-UHFFFAOYSA-N 1 1 257.377 2.795 10 30 CFEEMO C[N@@H+](Cc1cccs1)Cc1ccccc1C#CCO ZINC000049618126 523448988 /nfs/dbraw/zinc/44/89/88/523448988.db2.gz LRVCFMCTRUNXMF-UHFFFAOYSA-N 1 1 271.385 2.724 10 30 CFEEMO C[N@@H+](Cc1ccsc1)Cc1cccc(C#CCO)c1 ZINC000049618164 523484331 /nfs/dbraw/zinc/48/43/31/523484331.db2.gz RUTHAQOYCSUAEP-UHFFFAOYSA-N 1 1 271.385 2.724 10 30 CFEEMO COc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1C#CCO ZINC000049618587 524010235 /nfs/dbraw/zinc/01/02/35/524010235.db2.gz NIBLNMAAUWMCJE-AWEZNQCLSA-N 1 1 275.392 2.515 10 30 CFEEMO C[C@@H]1CCCC[N@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049615708 524114063 /nfs/dbraw/zinc/11/40/63/524114063.db2.gz FFHLYMVIGUGEAG-CQSZACIVSA-N 1 1 275.367 2.934 10 30 CFEEMO C[C@H](C[NH+]1CCCC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000049151374 524319568 /nfs/dbraw/zinc/31/95/68/524319568.db2.gz GNJTUJIOCZMSMK-KGLIPLIRSA-N 1 1 257.381 2.693 10 30 CFEEMO C[C@@H](C1CC1)[N@@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049618468 524319646 /nfs/dbraw/zinc/31/96/46/524319646.db2.gz PUFSEUGNSCJHEA-HNNXBMFYSA-N 1 1 287.403 2.530 10 30 CFEEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000083704495 525080406 /nfs/dbraw/zinc/08/04/06/525080406.db2.gz SODRMZKPCMAXTP-CZUORRHYSA-N 1 1 287.382 2.756 10 30 CFEEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C#CCO)cc2F)C1 ZINC000049616647 525384947 /nfs/dbraw/zinc/38/49/47/525384947.db2.gz MTNISZMNIZRUEF-OKILXGFUSA-N 1 1 275.367 2.647 10 30 CFEEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(F)cc1C#CCO ZINC000050566734 525642761 /nfs/dbraw/zinc/64/27/61/525642761.db2.gz GSBCAFSKLWTVEA-UONOGXRCSA-N 1 1 275.367 2.790 10 30 CFEEMO N#Cc1ccccc1OCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507079 526747201 /nfs/dbraw/zinc/74/72/01/526747201.db2.gz TUFVXTLNTWSPLF-UHFFFAOYSA-N 1 1 296.374 2.540 10 30 CFEEMO N#Cc1ccnc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000061702218 526762429 /nfs/dbraw/zinc/76/24/29/526762429.db2.gz DEEZXKIHJDYECL-INIZCTEOSA-N 1 1 279.343 2.607 10 30 CFEEMO N#Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000061702219 526762770 /nfs/dbraw/zinc/76/27/70/526762770.db2.gz DEEZXKIHJDYECL-MRXNPFEDSA-N 1 1 279.343 2.607 10 30 CFEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1NCCC2 ZINC000163347866 620069730 /nfs/dbraw/zinc/06/97/30/620069730.db2.gz WYWJTCWCPFXAKR-HIFRSBDPSA-N 1 1 255.365 2.827 10 30 CFEEMO C#CCOc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000245803056 650836968 /nfs/dbraw/zinc/83/69/68/650836968.db2.gz YASQPCUVFCULFR-PKOBYXMFSA-N 1 1 299.414 2.826 10 30 CFEEMO CCCCCCCC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246584094 650874977 /nfs/dbraw/zinc/87/49/77/650874977.db2.gz WGVIMIUSFYOTFG-IRXDYDNUSA-N 1 1 282.472 2.999 10 30 CFEEMO C=C(Br)CN1C[C@H]2CCCC[N@@H+]2C[C@H]1CC ZINC000129817456 645409861 /nfs/dbraw/zinc/40/98/61/645409861.db2.gz FXHKPWIJJJMFLM-CHWSQXEVSA-N 1 1 287.245 2.844 10 30 CFEEMO C=C(Br)CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1CC ZINC000253182442 651039066 /nfs/dbraw/zinc/03/90/66/651039066.db2.gz FXHKPWIJJJMFLM-OLZOCXBDSA-N 1 1 287.245 2.844 10 30 CFEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000061891779 346685791 /nfs/dbraw/zinc/68/57/91/346685791.db2.gz YCZFPXNUDRAOCK-PWSUYJOCSA-N 1 1 278.739 2.851 10 30 CFEEMO C#C[C@@H]([NH2+]C)c1cccc(Br)c1Cl ZINC000130250165 347868864 /nfs/dbraw/zinc/86/88/64/347868864.db2.gz INBFSVIQAQMHOQ-SECBINFHSA-N 1 1 258.546 2.996 10 30 CFEEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1C ZINC000165494346 348039629 /nfs/dbraw/zinc/03/96/29/348039629.db2.gz SYHBRSZZIXHSBA-KRWDZBQOSA-N 1 1 271.408 2.783 10 30 CFEEMO Cc1cc(C#N)ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000165495938 348039634 /nfs/dbraw/zinc/03/96/34/348039634.db2.gz SZXLMMCHBRMRRD-YOEHRIQHSA-N 1 1 269.392 2.535 10 30 CFEEMO Cc1cc(C#N)ccc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000165496081 348040072 /nfs/dbraw/zinc/04/00/72/348040072.db2.gz SZXLMMCHBRMRRD-WMLDXEAASA-N 1 1 269.392 2.535 10 30 CFEEMO C[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccc(C#N)cc1 ZINC000086817884 179345905 /nfs/dbraw/zinc/34/59/05/179345905.db2.gz PAXBTEMLDIGBJH-CZUORRHYSA-N 1 1 257.381 2.693 10 30 CFEEMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000188543083 348132756 /nfs/dbraw/zinc/13/27/56/348132756.db2.gz GNOTWUMYXQGCPX-GDBMZVCRSA-N 1 1 266.429 2.825 10 30 CFEEMO CCC[N@H+]1CCC[C@@](C#N)(NCc2cccs2)CC1 ZINC000086849229 179358254 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