smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1OC ZINC000036097317 120085690 /nfs/dbraw/zinc/08/56/90/120085690.db2.gz SBECAUBRTYFQCF-GOSISDBHSA-N 1 1 351.487 3.115 50 30 FGEAMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)Cn2cc[nH+]c2C)cc1 ZINC000030697924 493904548 /nfs/dbraw/zinc/90/45/48/493904548.db2.gz ALUYMIBFMKJWFO-UHFFFAOYSA-N 1 1 363.421 3.118 50 30 FGEAMO N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000071661675 494095107 /nfs/dbraw/zinc/09/51/07/494095107.db2.gz NZMBFGDRMHZPRM-UHFFFAOYSA-N 1 1 359.433 3.030 50 30 FGEAMO C[N@H+]1Cc2ccccc2C[C@@H]1Cn1ccnc1-c1ccc(C#CCO)s1 ZINC000071768108 494100664 /nfs/dbraw/zinc/10/06/64/494100664.db2.gz CTDOJUFDKYEORS-GOSISDBHSA-N 1 1 363.486 3.012 50 30 FGEAMO C=CCSc1nnc([C@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)n1C ZINC000020781614 494481084 /nfs/dbraw/zinc/48/10/84/494481084.db2.gz GTOSWIQBDRZIQT-AWEZNQCLSA-N 1 1 374.510 3.187 50 30 FGEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)OCO2 ZINC000036101939 518994502 /nfs/dbraw/zinc/99/45/02/518994502.db2.gz UVYQJRNHICSQOB-HXUWFJFHSA-N 1 1 369.461 3.289 50 30 FGEAMO O=[N+]([O-])c1ccccc1/C=C\C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000035131827 527397450 /nfs/dbraw/zinc/39/74/50/527397450.db2.gz PVYRJBCFXVRLAR-IDRHBWAZSA-N 1 1 350.422 3.412 50 30 FGEAMO Cc1c(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C#N)n1C ZINC000075831158 571139005 /nfs/dbraw/zinc/13/90/05/571139005.db2.gz ZYUAQBNHCDOEIZ-CALCHBBNSA-N 1 1 366.509 3.104 50 30 FGEAMO CC(C)[N@H+]1CCCC[C@H]1CCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000670446683 571350816 /nfs/dbraw/zinc/35/08/16/571350816.db2.gz CNIAWDQIEPHANO-HNNXBMFYSA-N 1 1 369.918 3.143 50 30 FGEAMO N#Cc1ccccc1N1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000052801133 205187196 /nfs/dbraw/zinc/18/71/96/205187196.db2.gz HDBDJAYATWYTDB-QFIPXVFZSA-N 1 1 374.488 3.090 50 30 FGEAMO CCC[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000053094967 205190420 /nfs/dbraw/zinc/19/04/20/205190420.db2.gz OCPFRXQDHOUNGK-OAHLLOKOSA-N 1 1 371.462 3.110 50 30 FGEAMO CCC[N@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000053094967 205190423 /nfs/dbraw/zinc/19/04/23/205190423.db2.gz OCPFRXQDHOUNGK-OAHLLOKOSA-N 1 1 371.462 3.110 50 30 FGEAMO C=C(C)C[NH+]1CCN(c2nc(SC)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000095480206 132304510 /nfs/dbraw/zinc/30/45/10/132304510.db2.gz QTRKWDAFHBTRFC-UHFFFAOYSA-N 1 1 372.538 3.225 50 30 FGEAMO C[NH+]1CCN(c2nc(-c3ccccc3)nc(-c3ccccc3)c2C#N)CC1 ZINC000001393449 132381778 /nfs/dbraw/zinc/38/17/78/132381778.db2.gz PVSSXSWACOFACA-UHFFFAOYSA-N 1 1 355.445 3.434 50 30 FGEAMO C=CCOc1ccccc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000030523722 493895088 /nfs/dbraw/zinc/89/50/88/493895088.db2.gz ZIFTWEKYYWQBEW-UHFFFAOYSA-N 1 1 366.461 3.014 50 30 FGEAMO OCC#Cc1csc(C[NH+]2CCN(c3nsc4ccccc43)CC2)c1 ZINC000067742157 494628780 /nfs/dbraw/zinc/62/87/80/494628780.db2.gz QIWFVLMXXGDZJF-UHFFFAOYSA-N 1 1 369.515 3.024 50 30 FGEAMO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000095956087 494991538 /nfs/dbraw/zinc/99/15/38/494991538.db2.gz KPEWEOMEMMCITG-UHFFFAOYSA-N 1 1 374.897 3.029 50 30 FGEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000246572903 497779225 /nfs/dbraw/zinc/77/92/25/497779225.db2.gz BXOROAQRDCDKSP-KXBFYZLASA-N 1 1 361.873 3.167 50 30 FGEAMO C=CCOc1ccccc1CN1CC[N@H+](Cc2ccsc2)[C@@H](CCO)C1 ZINC000020998129 519069370 /nfs/dbraw/zinc/06/93/70/519069370.db2.gz QXKIAKFAVZJCJE-FQEVSTJZSA-N 1 1 372.534 3.382 50 30 FGEAMO C=CCOc1ccccc1CN1CC[N@@H+](Cc2ccsc2)[C@@H](CCO)C1 ZINC000020998129 519069381 /nfs/dbraw/zinc/06/93/81/519069381.db2.gz QXKIAKFAVZJCJE-FQEVSTJZSA-N 1 1 372.534 3.382 50 30 FGEAMO C=CCOc1ccccc1C[N@@H+]1CCN(Cc2ccsc2)[C@@H](CCO)C1 ZINC000020998129 519069390 /nfs/dbraw/zinc/06/93/90/519069390.db2.gz QXKIAKFAVZJCJE-FQEVSTJZSA-N 1 1 372.534 3.382 50 30 FGEAMO C=CCOc1ccccc1C[N@H+]1CCN(Cc2ccsc2)[C@@H](CCO)C1 ZINC000020998129 519069396 /nfs/dbraw/zinc/06/93/96/519069396.db2.gz QXKIAKFAVZJCJE-FQEVSTJZSA-N 1 1 372.534 3.382 50 30 FGEAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(C#N)CC3)cc2)C1 ZINC000057993116 524094518 /nfs/dbraw/zinc/09/45/18/524094518.db2.gz KXYWOELKOUHJDV-KRWDZBQOSA-N 1 1 354.498 3.364 50 30 FGEAMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc1 ZINC000097020517 203824015 /nfs/dbraw/zinc/82/40/15/203824015.db2.gz JVKHTMFARPFZOD-LJQANCHMSA-N 1 1 372.513 3.234 50 30 FGEAMO Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000009711067 204379615 /nfs/dbraw/zinc/37/96/15/204379615.db2.gz UHHLQVJVHDPNEC-UHFFFAOYSA-N 1 1 362.477 3.284 50 30 FGEAMO COc1ccc(N2CCC[N@@H+](CCOc3cccc(C#N)c3)CC2)cc1 ZINC000052467106 205186309 /nfs/dbraw/zinc/18/63/09/205186309.db2.gz CVEFJSUZSAGZPI-UHFFFAOYSA-N 1 1 351.450 3.158 50 30 FGEAMO C=CCOc1cccc(C(=O)NCC[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000012041709 263369479 /nfs/dbraw/zinc/36/94/79/263369479.db2.gz LFOBZCUZNRZRPM-QGZVFWFLSA-N 1 1 366.461 3.264 50 30 FGEAMO C=CCOc1cccc(C(=O)NCC[N@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000012041709 263369481 /nfs/dbraw/zinc/36/94/81/263369481.db2.gz LFOBZCUZNRZRPM-QGZVFWFLSA-N 1 1 366.461 3.264 50 30 FGEAMO COc1ccc(/C=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000019773171 263376943 /nfs/dbraw/zinc/37/69/43/263376943.db2.gz QZVQRTFGMGYIQD-JCMHNJIXSA-N 1 1 353.466 3.164 50 30 FGEAMO C#CC[N@@H+](CC(=O)N1CCc2sccc2C1)[C@@H]1CCc2ccccc21 ZINC000052845920 494068253 /nfs/dbraw/zinc/06/82/53/494068253.db2.gz GIBMGROQQNRMLE-LJQANCHMSA-N 1 1 350.487 3.256 50 30 FGEAMO C#CC[N@H+](CC(=O)N1CCc2sccc2C1)[C@@H]1CCc2ccccc21 ZINC000052845920 494068256 /nfs/dbraw/zinc/06/82/56/494068256.db2.gz GIBMGROQQNRMLE-LJQANCHMSA-N 1 1 350.487 3.256 50 30 FGEAMO C[NH+]=C(N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cccs1 ZINC000071843648 494104314 /nfs/dbraw/zinc/10/43/14/494104314.db2.gz GVLWCWJRMUVDTC-ZDUSSCGKSA-N 1 1 357.479 3.133 50 30 FGEAMO CSCCCN1C(=O)CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000072422645 494169622 /nfs/dbraw/zinc/16/96/22/494169622.db2.gz MKKNSRRDUGIEED-RBUKOAKNSA-N 1 1 357.523 3.124 50 30 FGEAMO [NH2+]=C(NOC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)cc1 ZINC000013657228 494292569 /nfs/dbraw/zinc/29/25/69/494292569.db2.gz LRIIYDKANAOJAW-UHFFFAOYSA-N 1 1 373.718 3.153 50 30 FGEAMO C=CCCCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077391431 518699787 /nfs/dbraw/zinc/69/97/87/518699787.db2.gz CDAPYCUVWAWGLJ-OAQYLSRUSA-N 1 1 356.514 3.346 50 30 FGEAMO CCOc1ccccc1NC(=O)NCC#CC[N@@H+](C)Cc1ccccc1 ZINC000085470643 521541384 /nfs/dbraw/zinc/54/13/84/521541384.db2.gz XARGPZGWVDMYJZ-UHFFFAOYSA-N 1 1 351.450 3.342 50 30 FGEAMO COc1cc(/C(C)=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1O ZINC000020103440 521921967 /nfs/dbraw/zinc/92/19/67/521921967.db2.gz OSZUUEALDYTAHJ-XLNRJJMWSA-N 1 1 353.466 3.251 50 30 FGEAMO CC(C)C(N)=[NH+]O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000128402691 206123968 /nfs/dbraw/zinc/12/39/68/206123968.db2.gz QFTKQDMLVLFMOZ-CQSZACIVSA-N 1 1 357.376 3.141 50 30 FGEAMO CCC[N@H+]1CCc2nc(N)c(C#N)c(-c3c[nH]nc3-c3ccccc3)c2C1 ZINC000072124225 494129863 /nfs/dbraw/zinc/12/98/63/494129863.db2.gz VPLRYHFLLDBWAW-UHFFFAOYSA-N 1 1 358.449 3.361 50 30 FGEAMO CN(C(=O)c1ccccc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072433774 494173606 /nfs/dbraw/zinc/17/36/06/494173606.db2.gz NWCACWXTEYSRMF-GOSISDBHSA-N 1 1 351.425 3.434 50 30 FGEAMO CN(C(=O)c1ccccc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072433774 494173610 /nfs/dbraw/zinc/17/36/10/494173610.db2.gz NWCACWXTEYSRMF-GOSISDBHSA-N 1 1 351.425 3.434 50 30 FGEAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)COc1ccc(C#N)cc1 ZINC000014084098 494302251 /nfs/dbraw/zinc/30/22/51/494302251.db2.gz SDHDZZCRAJTBFT-PZJWPPBQSA-N 1 1 361.445 3.080 50 30 FGEAMO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([N@H+](C)CC(C)C)C2 ZINC000014535864 494319748 /nfs/dbraw/zinc/31/97/48/494319748.db2.gz SAEOZOCYTHIUBW-KRWDZBQOSA-N 1 1 358.530 3.140 50 30 FGEAMO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([N@H+](C)CC(C)C)C2 ZINC000014535863 494320378 /nfs/dbraw/zinc/32/03/78/494320378.db2.gz SAEOZOCYTHIUBW-QGZVFWFLSA-N 1 1 358.530 3.140 50 30 FGEAMO OCC#Cc1ccc(C[N@@H+]2CCc3onc(-c4ccccc4F)c3C2)cc1 ZINC000067674545 494605475 /nfs/dbraw/zinc/60/54/75/494605475.db2.gz MGVBCXQJERDIMR-UHFFFAOYSA-N 1 1 362.404 3.383 50 30 FGEAMO OCC#Cc1ccc(C[N@H+]2CCc3onc(-c4ccccc4F)c3C2)cc1 ZINC000067674545 494605480 /nfs/dbraw/zinc/60/54/80/494605480.db2.gz MGVBCXQJERDIMR-UHFFFAOYSA-N 1 1 362.404 3.383 50 30 FGEAMO N#Cc1cccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccncc2)C3)c1 ZINC000091915010 494721880 /nfs/dbraw/zinc/72/18/80/494721880.db2.gz MNPNBDFJIVHLNF-AZUAARDMSA-N 1 1 361.449 3.082 50 30 FGEAMO C=CCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000091943801 519053515 /nfs/dbraw/zinc/05/35/15/519053515.db2.gz PEKVUOPVXPYOBQ-JOCHJYFZSA-N 1 1 354.494 3.476 50 30 FGEAMO C[N@@H+](Cc1ccc(C#CCO)s1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000022853523 523206532 /nfs/dbraw/zinc/20/65/32/523206532.db2.gz KNJXQQJUCIYOLZ-SFHVURJKSA-N 1 1 372.509 3.327 50 30 FGEAMO Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000022830904 206393259 /nfs/dbraw/zinc/39/32/59/206393259.db2.gz QPMVAEHPUXUTTR-UHFFFAOYSA-N 1 1 362.477 3.013 50 30 FGEAMO C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCN1C ZINC000076040374 493812041 /nfs/dbraw/zinc/81/20/41/493812041.db2.gz YGDQETPBGAIQBO-HUUCEWRRSA-N 1 1 374.554 3.242 50 30 FGEAMO C#CC[N@@H+](CC(=O)N1CCc2sccc2C1)[C@H]1CCc2ccccc21 ZINC000052845921 494068164 /nfs/dbraw/zinc/06/81/64/494068164.db2.gz GIBMGROQQNRMLE-IBGZPJMESA-N 1 1 350.487 3.256 50 30 FGEAMO C#CC[N@H+](CC(=O)N1CCc2sccc2C1)[C@H]1CCc2ccccc21 ZINC000052845921 494068167 /nfs/dbraw/zinc/06/81/67/494068167.db2.gz GIBMGROQQNRMLE-IBGZPJMESA-N 1 1 350.487 3.256 50 30 FGEAMO CCC[N@H+]1CCc2nc(N)c(C#N)c(-c3cn(C)nc3-c3ccccc3)c2C1 ZINC000072157123 494138220 /nfs/dbraw/zinc/13/82/20/494138220.db2.gz PHLOZTNAMIFMPP-UHFFFAOYSA-N 1 1 372.476 3.371 50 30 FGEAMO C=CCNC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019831864 494461471 /nfs/dbraw/zinc/46/14/71/494461471.db2.gz VPIMVLWWHONAGS-UHFFFAOYSA-N 1 1 351.519 3.454 50 30 FGEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3cccc(F)c3)CC2)cc1 ZINC000096837220 495014730 /nfs/dbraw/zinc/01/47/30/495014730.db2.gz YRZMEORKNFNWLJ-UHFFFAOYSA-N 1 1 365.452 3.364 50 30 FGEAMO C=CCN1CC(=O)N(C[C@H]2CCC[N@H+](C)[C@@H]2c2cccc(Cl)c2)C1=O ZINC000225457531 518857598 /nfs/dbraw/zinc/85/75/98/518857598.db2.gz PVZBROMWFJJINV-CRAIPNDOSA-N 1 1 361.873 3.173 50 30 FGEAMO Cc1ccc2c(C[N@H+]3CCCN(c4ncccc4C#N)CC3)cc(=O)oc2c1 ZINC000058162548 205252159 /nfs/dbraw/zinc/25/21/59/205252159.db2.gz OGBCVMUFZASORI-UHFFFAOYSA-N 1 1 374.444 3.080 50 30 FGEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2ccc(Br)cc2)c1 ZINC000005092856 493913735 /nfs/dbraw/zinc/91/37/35/493913735.db2.gz VGJBGCKEHXIJDT-UHFFFAOYSA-N 1 1 363.211 3.000 50 30 FGEAMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1CC ZINC000097164623 495026874 /nfs/dbraw/zinc/02/68/74/495026874.db2.gz SPBLTVBTLICVPR-MRXNPFEDSA-N 1 1 364.877 3.176 50 30 FGEAMO CN1CC[N@@H+](CCCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC000244723696 497368291 /nfs/dbraw/zinc/36/82/91/497368291.db2.gz MFPXRJGGZCHGTP-OAQYLSRUSA-N 1 1 362.477 3.266 50 30 FGEAMO C[N@@H+]1CCN(CCCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC000244723696 497368298 /nfs/dbraw/zinc/36/82/98/497368298.db2.gz MFPXRJGGZCHGTP-OAQYLSRUSA-N 1 1 362.477 3.266 50 30 FGEAMO C[N@H+]1CCN(CCCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC000244723696 497368304 /nfs/dbraw/zinc/36/83/04/497368304.db2.gz MFPXRJGGZCHGTP-OAQYLSRUSA-N 1 1 362.477 3.266 50 30 FGEAMO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H]2COc3c(C)cccc3C2)C1 ZINC000329646754 497856285 /nfs/dbraw/zinc/85/62/85/497856285.db2.gz ZZSGQEXQGBLDQI-QZTJIDSGSA-N 1 1 368.481 3.309 50 30 FGEAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2COc3c(C)cccc3C2)C1 ZINC000329646754 497856293 /nfs/dbraw/zinc/85/62/93/497856293.db2.gz ZZSGQEXQGBLDQI-QZTJIDSGSA-N 1 1 368.481 3.309 50 30 FGEAMO C=CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1OC ZINC000036097315 518984874 /nfs/dbraw/zinc/98/48/74/518984874.db2.gz SBECAUBRTYFQCF-SFHVURJKSA-N 1 1 351.487 3.115 50 30 FGEAMO C=CCSc1nnc([C@H]2CCC[N@H+](Cc3ccc(COC)o3)C2)n1C ZINC000015072751 519091236 /nfs/dbraw/zinc/09/12/36/519091236.db2.gz LOBDFUVYJXOZJO-AWEZNQCLSA-N 1 1 362.499 3.212 50 30 FGEAMO COc1ccccc1CC(=[NH2+])NOC(=O)COc1cccc2ccccc21 ZINC000004680670 524368317 /nfs/dbraw/zinc/36/83/17/524368317.db2.gz BLKLEZSZGZHGRL-UHFFFAOYSA-N 1 1 364.401 3.285 50 30 FGEAMO [NH2+]=C(NOC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000004526056 204144681 /nfs/dbraw/zinc/14/46/81/204144681.db2.gz PQYFONJXUURKLA-UHFFFAOYSA-N 1 1 354.149 3.379 50 30 FGEAMO C[NH+](C)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1ccccc1Cl ZINC000008262301 204323873 /nfs/dbraw/zinc/32/38/73/204323873.db2.gz IQKQKYJFQILNFF-GOSISDBHSA-N 1 1 357.841 3.010 50 30 FGEAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C#N)cc1 ZINC000048280099 205155134 /nfs/dbraw/zinc/15/51/34/205155134.db2.gz IGWNZOLQTXUXAE-FQEVSTJZSA-N 1 1 363.465 3.472 50 30 FGEAMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000002686988 206340313 /nfs/dbraw/zinc/34/03/13/206340313.db2.gz VGWUFXZDHVMWPU-HXUWFJFHSA-N 1 1 353.462 3.222 50 30 FGEAMO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1Cl ZINC000014018936 494299877 /nfs/dbraw/zinc/29/98/77/494299877.db2.gz SHAVIEVVVBKXJT-LLVKDONJSA-N 1 1 358.785 3.409 50 30 FGEAMO N#Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095383108 494970659 /nfs/dbraw/zinc/97/06/59/494970659.db2.gz YLTFAAKLBOPYGE-YTFSRNRJSA-N 1 1 359.473 3.326 50 30 FGEAMO C=CCN1CC[C@@]2(CN(Cc3cc4ccccc4o3)CC[N@@H+]2C)CCC1=O ZINC000107405646 495527229 /nfs/dbraw/zinc/52/72/29/495527229.db2.gz JXGFWVNBINZZLS-JOCHJYFZSA-N 1 1 367.493 3.118 50 30 FGEAMO C=CCN1CC[C@@]2(C[N@@H+](Cc3cc4ccccc4o3)CCN2C)CCC1=O ZINC000107405646 495527230 /nfs/dbraw/zinc/52/72/30/495527230.db2.gz JXGFWVNBINZZLS-JOCHJYFZSA-N 1 1 367.493 3.118 50 30 FGEAMO C=CCN1CC[C@@]2(C[N@H+](Cc3cc4ccccc4o3)CCN2C)CCC1=O ZINC000107405646 495527231 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C[N@H+](Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1)C[C@H]1CCCCO1 ZINC000065375316 221206003 /nfs/dbraw/zinc/20/60/03/221206003.db2.gz CKGWXXVKEAMTAV-HXUWFJFHSA-N 1 1 364.449 3.206 50 30 FGEAMO Cc1ccc(C#N)c(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000091665640 132203031 /nfs/dbraw/zinc/20/30/31/132203031.db2.gz YOIKLNZJJMIVNF-GOSISDBHSA-N 1 1 358.449 3.286 50 30 FGEAMO C=C(Cl)Cn1c2cc(F)ccc2cc(C[N@@H+](C)CCn2cccn2)c1=O ZINC000012126301 263369449 /nfs/dbraw/zinc/36/94/49/263369449.db2.gz CMMIXDMJQLYWRZ-UHFFFAOYSA-N 1 1 374.847 3.222 50 30 FGEAMO C=CCc1cc(C(=O)N2CCC(Cn3cc[nH+]c3C)CC2)ccc1OC ZINC000244701119 519127295 /nfs/dbraw/zinc/12/72/95/519127295.db2.gz KAMQXWUAZRRERY-UHFFFAOYSA-N 1 1 353.466 3.481 50 30 FGEAMO Cc1cc(=N)n(C(Nc2ccc(Cl)cc2)=[NH+]C[C@@H]2CCCO2)s1 ZINC000020343784 526098494 /nfs/dbraw/zinc/09/84/94/526098494.db2.gz MKTOIRDABBEHMR-AWEZNQCLSA-N 1 1 350.875 3.486 50 30 FGEAMO C=CC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000584886438 571313817 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3.489 50 30 FGEAMO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)c3ccccc3Cl)CC2)cc1 ZINC000040105800 494131919 /nfs/dbraw/zinc/13/19/19/494131919.db2.gz CAUIZSCDQPGCHE-HXUWFJFHSA-N 1 1 355.869 3.063 50 30 FGEAMO C=C(C)Cn1nc(C)c(CCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1C ZINC000230207413 518642939 /nfs/dbraw/zinc/64/29/39/518642939.db2.gz LMHLQTBXEIVBIM-CTNGQTDRSA-N 1 1 372.557 3.389 50 30 FGEAMO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[N@H+](C)C(C)C ZINC000060324416 518777336 /nfs/dbraw/zinc/77/73/36/518777336.db2.gz VBXWBTBWCNYICU-UHFFFAOYSA-N 1 1 357.267 3.443 50 30 FGEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OC)c(NC(=O)CC)c2)C[C@H]1C ZINC000299759433 518870896 /nfs/dbraw/zinc/87/08/96/518870896.db2.gz HIIIDKDPBKMMKD-HUUCEWRRSA-N 1 1 374.485 3.156 50 30 FGEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OC)c(NC(=O)CC)c2)C[C@H]1C ZINC000299759433 518870900 /nfs/dbraw/zinc/87/09/00/518870900.db2.gz HIIIDKDPBKMMKD-HUUCEWRRSA-N 1 1 374.485 3.156 50 30 FGEAMO C=CCn1c(SC[C@@H]2CCCC[N@@H+]2C(C)C)nnc1-c1cnccn1 ZINC000240551634 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Cc1ccc(C[NH+]2CCN(/N=C/c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000019791045 211255251 /nfs/dbraw/zinc/25/52/51/211255251.db2.gz UEOWIYVGOTXFDR-KGENOOAVSA-N 1 1 352.438 3.363 50 30 FGEAMO CC(C)c1cc(NCC[NH+]2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000019682075 211245492 /nfs/dbraw/zinc/24/54/92/211245492.db2.gz IYLBVVFAHQUHRL-UHFFFAOYSA-N 1 1 363.465 3.227 50 30 FGEAMO N#Cc1ccccc1OCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013725873 211054478 /nfs/dbraw/zinc/05/44/78/211054478.db2.gz QMFFCULMYNOQIC-UHFFFAOYSA-N 1 1 364.474 3.369 50 30 FGEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012910251 211005902 /nfs/dbraw/zinc/00/59/02/211005902.db2.gz OTFIGKICQTVGKJ-LIRRHRJNSA-N 1 1 371.868 3.398 50 30 FGEAMO C[N@H+](Cc1cccc(C(=O)Nc2ccc(C#N)cn2)c1)C[C@H]1CCCCO1 ZINC000067867613 221297004 /nfs/dbraw/zinc/29/70/04/221297004.db2.gz GXXFKELLCUAUTL-LJQANCHMSA-N 1 1 364.449 3.206 50 30 FGEAMO CCOc1ccccc1C(=O)ONC(=[NH2+])c1cccc(Br)c1 ZINC000006951312 493989468 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CCO[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C12CCCC2 ZINC000095996347 494994192 /nfs/dbraw/zinc/99/41/92/494994192.db2.gz KHYGHRMVIVAKKL-VVLHAWIVSA-N 1 1 363.502 3.073 50 30 FGEAMO C[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000574852622 505869116 /nfs/dbraw/zinc/86/91/16/505869116.db2.gz OYWKYCOARKCMSA-OAHLLOKOSA-N 1 1 368.868 3.201 50 30 FGEAMO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-c3cccc(CO)c3)c2)C1 ZINC000426707553 500309260 /nfs/dbraw/zinc/30/92/60/500309260.db2.gz YAEKHOUJJMXVRW-GOSISDBHSA-N 1 1 350.462 3.084 50 30 FGEAMO C=CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067895870 518860310 /nfs/dbraw/zinc/86/03/10/518860310.db2.gz BUDJBLQWTVFXJX-FQEVSTJZSA-N 1 1 364.493 3.433 50 30 FGEAMO C=CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067895870 518860318 /nfs/dbraw/zinc/86/03/18/518860318.db2.gz BUDJBLQWTVFXJX-FQEVSTJZSA-N 1 1 364.493 3.433 50 30 FGEAMO C=CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067895870 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C[NH+]1CCN(c2nc(-c3cn(CCC#N)c4ccccc34)cs2)CC1 ZINC000012516942 220002140 /nfs/dbraw/zinc/00/21/40/220002140.db2.gz BGVGJKJLLSGIBL-UHFFFAOYSA-N 1 1 351.479 3.430 50 30 FGEAMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012910247 220041869 /nfs/dbraw/zinc/04/18/69/220041869.db2.gz OTFIGKICQTVGKJ-KUHUBIRLSA-N 1 1 371.868 3.398 50 30 FGEAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C#N)cc1 ZINC000048280096 221005343 /nfs/dbraw/zinc/00/53/43/221005343.db2.gz IGWNZOLQTXUXAE-HXUWFJFHSA-N 1 1 363.465 3.472 50 30 FGEAMO N#Cc1ccc(OCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000058193295 221105266 /nfs/dbraw/zinc/10/52/66/221105266.db2.gz SWTMCHZNRCJUAC-KRWDZBQOSA-N 1 1 369.490 3.027 50 30 FGEAMO OCC#Cc1csc(-c2nccn2C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000067850094 221293253 /nfs/dbraw/zinc/29/32/53/221293253.db2.gz PLJFOXYBVXBWHM-ZWKOTPCHSA-N 1 1 355.507 3.220 50 30 FGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)C4CCN(C)CC4)[C@H]3C[C@H]12 ZINC000004028431 493860734 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C=CCSc1nnc([C@@H]2CCC[N@H+](Cc3ccc(COC)o3)C2)n1C ZINC000015072749 519090675 /nfs/dbraw/zinc/09/06/75/519090675.db2.gz LOBDFUVYJXOZJO-CQSZACIVSA-N 1 1 362.499 3.212 50 30 FGEAMO CN(Cc1cc(C#CCO)cs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383170554 713980866 /nfs/dbraw/zinc/98/08/66/713980866.db2.gz XYYCPPYAJQYTFV-HXUWFJFHSA-N 1 1 354.519 3.046 50 30 FGEAMO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)c(F)c1 ZINC000299801309 223104870 /nfs/dbraw/zinc/10/48/70/223104870.db2.gz ZBRVGQPZBAJZSB-MRXNPFEDSA-N 1 1 368.412 3.189 50 30 FGEAMO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c(F)c1 ZINC000299801309 223104873 /nfs/dbraw/zinc/10/48/73/223104873.db2.gz ZBRVGQPZBAJZSB-MRXNPFEDSA-N 1 1 368.412 3.189 50 30 FGEAMO C=CCNC(=O)CC[N@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067459139 221255539 /nfs/dbraw/zinc/25/55/39/221255539.db2.gz OSPCVZVLSKBCQR-UHFFFAOYSA-N 1 1 372.490 3.316 50 30 FGEAMO C=CCNC(=O)CC[N@@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067459139 221255541 /nfs/dbraw/zinc/25/55/41/221255541.db2.gz OSPCVZVLSKBCQR-UHFFFAOYSA-N 1 1 372.490 3.316 50 30 FGEAMO C=C(Br)C[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000052441456 494026131 /nfs/dbraw/zinc/02/61/31/494026131.db2.gz KPWKOGIRPNMSDG-UHFFFAOYSA-N 1 1 369.278 3.105 50 30 FGEAMO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000007682576 494035732 /nfs/dbraw/zinc/03/57/32/494035732.db2.gz RFMQFEZOIUBVCH-UHFFFAOYSA-N 1 1 355.413 3.213 50 30 FGEAMO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000007682576 494035737 /nfs/dbraw/zinc/03/57/37/494035737.db2.gz RFMQFEZOIUBVCH-UHFFFAOYSA-N 1 1 355.413 3.213 50 30 FGEAMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2=O ZINC000072156186 494136839 /nfs/dbraw/zinc/13/68/39/494136839.db2.gz BWLQRZNITSZBHW-OAQYLSRUSA-N 1 1 358.482 3.094 50 30 FGEAMO O=C(c1ccco1)N1C[C@H]2[C@H](C[N@@H+](CC#Cc3ccccc3)C3CC3)[C@H]2C1 ZINC000102313471 495129469 /nfs/dbraw/zinc/12/94/69/495129469.db2.gz WJXFWJAIONSSKQ-MZADTFQBSA-N 1 1 360.457 3.114 50 30 FGEAMO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCC[N@@H+]3CC=CCC3)C2)c1 ZINC000329121411 499049487 /nfs/dbraw/zinc/04/94/87/499049487.db2.gz WBTYYRNNGVMKOO-IBGZPJMESA-N 1 1 369.509 3.374 50 30 FGEAMO C=CC[N@H+]1CCC[C@@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000067947544 518860562 /nfs/dbraw/zinc/86/05/62/518860562.db2.gz BLPBTBAJNDECCX-QGZVFWFLSA-N 1 1 355.413 3.280 50 30 FGEAMO C=CC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000067947544 518860569 /nfs/dbraw/zinc/86/05/69/518860569.db2.gz BLPBTBAJNDECCX-QGZVFWFLSA-N 1 1 355.413 3.280 50 30 FGEAMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000007267512 524159989 /nfs/dbraw/zinc/15/99/89/524159989.db2.gz SIPKGAFWAQAQAA-HNNXBMFYSA-N 1 1 363.889 3.382 50 30 FGEAMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000007267512 524160000 /nfs/dbraw/zinc/16/00/00/524160000.db2.gz SIPKGAFWAQAQAA-HNNXBMFYSA-N 1 1 363.889 3.382 50 30 FGEAMO [NH2+]=C(NOC(=O)C1CCCCC1)c1ccc(I)cc1 ZINC000004825818 526806767 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Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NN1CC[NH+](C)CC1 ZINC000254837505 497351607 /nfs/dbraw/zinc/35/16/07/497351607.db2.gz CIDRJMYKJAGJCV-UHFFFAOYSA-N 1 1 352.269 3.069 50 30 FGEAMO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1ccnc(OC)c1C#N ZINC000067514891 518721471 /nfs/dbraw/zinc/72/14/71/518721471.db2.gz VRYOGPMWYASNIK-QGZVFWFLSA-N 1 1 352.438 3.202 50 30 FGEAMO C=C(C)C[N@H+](CC)[C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 ZINC000014748436 220132495 /nfs/dbraw/zinc/13/24/95/220132495.db2.gz SPCYPOQNEKYZTD-KRWDZBQOSA-N 1 1 358.530 3.284 50 30 FGEAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801198 221040500 /nfs/dbraw/zinc/04/05/00/221040500.db2.gz PPAJLUPKDQXHIY-INIZCTEOSA-N 1 1 366.440 3.237 50 30 FGEAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801198 221040504 /nfs/dbraw/zinc/04/05/04/221040504.db2.gz PPAJLUPKDQXHIY-INIZCTEOSA-N 1 1 366.440 3.237 50 30 FGEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(-n4ccnc4)cc3)c12 ZINC000067975412 221311846 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COc1ccc(Cl)cc1C(=O)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000075165004 494701694 /nfs/dbraw/zinc/70/16/94/494701694.db2.gz SZRROISTHHELJY-UHFFFAOYSA-N 1 1 368.864 3.140 50 30 FGEAMO COc1ccc(Cl)cc1C(=O)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000075165004 494701696 /nfs/dbraw/zinc/70/16/96/494701696.db2.gz SZRROISTHHELJY-UHFFFAOYSA-N 1 1 368.864 3.140 50 30 FGEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1Cl ZINC000140526217 495496964 /nfs/dbraw/zinc/49/69/64/495496964.db2.gz BXOROAQRDCDKSP-DNVCBOLYSA-N 1 1 361.873 3.167 50 30 FGEAMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cscc2Br)CC1 ZINC000329110401 499044484 /nfs/dbraw/zinc/04/44/84/499044484.db2.gz QIXUAUWNAJYPBW-UHFFFAOYSA-N 1 1 369.288 3.218 50 30 FGEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)OCO2 ZINC000036101937 518988579 /nfs/dbraw/zinc/98/85/79/518988579.db2.gz UVYQJRNHICSQOB-FQEVSTJZSA-N 1 1 369.461 3.289 50 30 FGEAMO COc1ccc(C(=[NH2+])NOC(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000004978522 523366762 /nfs/dbraw/zinc/36/67/62/523366762.db2.gz XDKBWKAVGJXHRY-UHFFFAOYSA-N 1 1 369.204 3.488 50 30 FGEAMO N#Cc1ccccc1C(=O)N1C[C@@H]2CC[N@@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000082083617 526735386 /nfs/dbraw/zinc/73/53/86/526735386.db2.gz KGSSTJHHSVTNDV-RBBKRZOGSA-N 1 1 359.473 3.337 50 30 FGEAMO C[N@@H+](Cc1ccc2nsnc2c1)C1CCN(c2cc(C#N)ccn2)CC1 ZINC000095512162 536474225 /nfs/dbraw/zinc/47/42/25/536474225.db2.gz KLVASWFCHRNIKS-UHFFFAOYSA-N 1 1 364.478 3.059 50 30 FGEAMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000058179992 221103897 /nfs/dbraw/zinc/10/38/97/221103897.db2.gz QBXLHXVHVVGSMS-UHFFFAOYSA-N 1 1 365.462 3.184 50 30 FGEAMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000058179992 221103899 /nfs/dbraw/zinc/10/38/99/221103899.db2.gz QBXLHXVHVVGSMS-UHFFFAOYSA-N 1 1 365.462 3.184 50 30 FGEAMO CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042742050 494240587 /nfs/dbraw/zinc/24/05/87/494240587.db2.gz AJGDAVLHGSLDIO-OAHLLOKOSA-N 1 1 350.422 3.289 50 30 FGEAMO C#CCN(CC=C)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000055060972 518258450 /nfs/dbraw/zinc/25/84/50/518258450.db2.gz SWXZIZOVZZEPQD-QFIPXVFZSA-N 1 1 370.537 3.312 50 30 FGEAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000328796468 571177909 /nfs/dbraw/zinc/17/79/09/571177909.db2.gz DDOVIKPALXXAQA-OXQOHEQNSA-N 1 1 365.477 3.500 50 30 FGEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000008763038 204344670 /nfs/dbraw/zinc/34/46/70/204344670.db2.gz BCXSVFDWHPSWLR-HOTGVXAUSA-N 1 1 374.448 3.159 50 30 FGEAMO C[C@@H](CC#N)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000058263822 205267067 /nfs/dbraw/zinc/26/70/67/205267067.db2.gz ZLVZPIPMPJWSNK-LBPRGKRZSA-N 1 1 350.260 3.402 50 30 FGEAMO CC[C@H](CNC(=O)CCc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000032447104 493990444 /nfs/dbraw/zinc/99/04/44/493990444.db2.gz ACTCETAPZYREKZ-JOCHJYFZSA-N 1 1 361.489 3.444 50 30 FGEAMO O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000011762314 494190335 /nfs/dbraw/zinc/19/03/35/494190335.db2.gz AAVPYUBKGUQWEG-IBGZPJMESA-N 1 1 350.437 3.319 50 30 FGEAMO N#CC1(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)CCCC1 ZINC000075107795 494690367 /nfs/dbraw/zinc/69/03/67/494690367.db2.gz YCPJHXYMDISINB-PMACEKPBSA-N 1 1 369.509 3.307 50 30 FGEAMO C[NH+]1CCN(N=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000252457345 497299847 /nfs/dbraw/zinc/29/98/47/497299847.db2.gz ALSQNDIGWFHWMH-UHFFFAOYSA-N 1 1 356.857 3.174 50 30 FGEAMO CCn1cc(C[N@H+]2CCCN(c3c(C#N)cnc4ccc(C)cc43)CC2)cn1 ZINC000330175547 498050382 /nfs/dbraw/zinc/05/03/82/498050382.db2.gz JDYISHUIOIFAPW-UHFFFAOYSA-N 1 1 374.492 3.344 50 30 FGEAMO C=CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccc(OC)c(OC)c1 ZINC000036096154 518982688 /nfs/dbraw/zinc/98/26/88/518982688.db2.gz IIBSQYBDOLTPLO-SFHVURJKSA-N 1 1 351.487 3.115 50 30 FGEAMO CCCCCCCCC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000102996447 519972703 /nfs/dbraw/zinc/97/27/03/519972703.db2.gz SVYVONMLURZRRO-UHFFFAOYSA-N 1 1 373.541 3.441 50 30 FGEAMO [NH2+]=C(NOC(=O)CSc1ccccc1)c1ccc(Br)cc1 ZINC000004986057 526808401 /nfs/dbraw/zinc/80/84/01/526808401.db2.gz WAOGGCMGRGQHJD-UHFFFAOYSA-N 1 1 365.252 3.405 50 30 FGEAMO [NH2+]=C(NOC(=O)[C@@H]1CCc2ccccc2O1)c1ccc(C(F)(F)F)cc1 ZINC000004324036 526808603 /nfs/dbraw/zinc/80/86/03/526808603.db2.gz CGJAFDRPJGDCQC-HNNXBMFYSA-N 1 1 364.323 3.263 50 30 FGEAMO Cc1cccc(C)c1NC(=S)N[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000254438917 713675992 /nfs/dbraw/zinc/67/59/92/713675992.db2.gz HYHCNQUJCRYJSS-UHFFFAOYSA-N 1 1 356.495 3.052 50 30 FGEAMO C[NH+]1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1 ZINC000008654585 204337190 /nfs/dbraw/zinc/33/71/90/204337190.db2.gz HXEVISJDUTZKGE-UHFFFAOYSA-N 1 1 364.405 3.137 50 30 FGEAMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)c(OC)c1 ZINC000008943085 204350978 /nfs/dbraw/zinc/35/09/78/204350978.db2.gz KJHQXFXNFBBGJB-UHFFFAOYSA-N 1 1 359.451 3.098 50 30 FGEAMO N#Cc1ccc(OC[C@@H](O)CNCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000039935257 205047744 /nfs/dbraw/zinc/04/77/44/205047744.db2.gz STXKZTUSPUIUHY-FQEVSTJZSA-N 1 1 371.525 3.076 50 30 FGEAMO C[N@H+](Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1)C[C@@H]1CCCCO1 ZINC000065375314 205342127 /nfs/dbraw/zinc/34/21/27/205342127.db2.gz CKGWXXVKEAMTAV-FQEVSTJZSA-N 1 1 364.449 3.206 50 30 FGEAMO N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)[C@H]1CC[C@@H](C2)[N@H+]1C1CCCC1 ZINC000071721345 494095881 /nfs/dbraw/zinc/09/58/81/494095881.db2.gz OLCSSIMLKLSHIR-SUMWQHHRSA-N 1 1 364.449 3.292 50 30 FGEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc4ncccc43)CC2)cc1 ZINC000012607151 494246693 /nfs/dbraw/zinc/24/66/93/494246693.db2.gz NMLTXVPNVFESDG-UHFFFAOYSA-N 1 1 370.456 3.455 50 30 FGEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000019791067 494460198 /nfs/dbraw/zinc/46/01/98/494460198.db2.gz UXTCQJTVFRSUHB-KGENOOAVSA-N 1 1 352.438 3.363 50 30 FGEAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)cc1 ZINC000175154408 496268517 /nfs/dbraw/zinc/26/85/17/496268517.db2.gz QOBLCLBXKKMWNU-NRFANRHFSA-N 1 1 362.477 3.222 50 30 FGEAMO CCN(Cc1ccccc1)c1ccc(C=[NH+]NC(=S)NCCOC)cc1 ZINC000254340744 497347416 /nfs/dbraw/zinc/34/74/16/497347416.db2.gz FOSOSBPESUTBML-UHFFFAOYSA-N 1 1 370.522 3.158 50 30 FGEAMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000012597103 518694516 /nfs/dbraw/zinc/69/45/16/518694516.db2.gz YVHOZIWCSZLHAH-QFIPXVFZSA-N 1 1 372.509 3.485 50 30 FGEAMO CC(C)c1nccn1CCC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000328596297 519879443 /nfs/dbraw/zinc/87/94/43/519879443.db2.gz DDTMUAJFJSBABB-SFHVURJKSA-N 1 1 356.470 3.251 50 30 FGEAMO COc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1OC ZINC000019791228 523441276 /nfs/dbraw/zinc/44/12/76/523441276.db2.gz XGACZNQQTYRTBP-HZHRSRAPSA-N 1 1 367.493 3.472 50 30 FGEAMO COc1ccccc1CC(=[NH2+])NOC(=O)c1ccccc1Br ZINC000004599748 204149081 /nfs/dbraw/zinc/14/90/81/204149081.db2.gz KMWSECVVELLZTN-UHFFFAOYSA-N 1 1 363.211 3.129 50 30 FGEAMO CC[N@@H+]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3)sc2C1 ZINC000004673171 204153109 /nfs/dbraw/zinc/15/31/09/204153109.db2.gz AFCWXHITLOTFIZ-UHFFFAOYSA-N 1 1 370.503 3.125 50 30 FGEAMO C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCN1C ZINC000076040376 493812349 /nfs/dbraw/zinc/81/23/49/493812349.db2.gz YGDQETPBGAIQBO-LSDHHAIUSA-N 1 1 374.554 3.242 50 30 FGEAMO C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCN1C ZINC000076040381 493812783 /nfs/dbraw/zinc/81/27/83/493812783.db2.gz YGDQETPBGAIQBO-GJZGRUSLSA-N 1 1 374.554 3.242 50 30 FGEAMO C[NH+]=C(N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cccs1 ZINC000071843649 494104247 /nfs/dbraw/zinc/10/42/47/494104247.db2.gz GVLWCWJRMUVDTC-CYBMUJFWSA-N 1 1 357.479 3.133 50 30 FGEAMO N#Cc1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)c1 ZINC000072479141 494182825 /nfs/dbraw/zinc/18/28/25/494182825.db2.gz AMJNJQFQCIXZQK-QGZVFWFLSA-N 1 1 361.511 3.024 50 30 FGEAMO C[C@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000012903539 494269355 /nfs/dbraw/zinc/26/93/55/494269355.db2.gz IPAKOYVAFPGSRT-KRWDZBQOSA-N 1 1 362.477 3.271 50 30 FGEAMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106223222 495438200 /nfs/dbraw/zinc/43/82/00/495438200.db2.gz QKTRVEMCCDSOAW-WMLDXEAASA-N 1 1 371.872 3.381 50 30 FGEAMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106223222 495438201 /nfs/dbraw/zinc/43/82/01/495438201.db2.gz QKTRVEMCCDSOAW-WMLDXEAASA-N 1 1 371.872 3.381 50 30 FGEAMO Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCC[N@@H+]3CC=CCC3)C2)c1 ZINC000329121413 499048893 /nfs/dbraw/zinc/04/88/93/499048893.db2.gz WBTYYRNNGVMKOO-LJQANCHMSA-N 1 1 369.509 3.374 50 30 FGEAMO Cc1ccc([C@@H](CNC(=[NH+]C(C)C)c2cccs2)N2CCOCC2)o1 ZINC000057991416 525757667 /nfs/dbraw/zinc/75/76/67/525757667.db2.gz BWPHNHOECMWBBC-MRXNPFEDSA-N 1 1 361.511 3.468 50 30 FGEAMO OCC#Cc1csc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1 ZINC000055060779 527521023 /nfs/dbraw/zinc/52/10/23/527521023.db2.gz CEHGPQWPFGRKBI-IBGZPJMESA-N 1 1 359.466 3.412 50 30 FGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)C4CCN(C)CC4)[C@H]3C[C@@H]12 ZINC000035361470 204243685 /nfs/dbraw/zinc/24/36/85/204243685.db2.gz WNMJQUYXUIYGDN-VRRLNDPFSA-N 1 1 360.542 3.327 50 30 FGEAMO O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)c1ccccc1C(F)(F)F ZINC000070641606 205023842 /nfs/dbraw/zinc/02/38/42/205023842.db2.gz PAUJKEAKLDMRHM-UHFFFAOYSA-N 1 1 372.390 3.497 50 30 FGEAMO O=C(NCC#CC[N@H+]1CCc2ccccc2C1)c1ccccc1C(F)(F)F ZINC000070641606 205023847 /nfs/dbraw/zinc/02/38/47/205023847.db2.gz PAUJKEAKLDMRHM-UHFFFAOYSA-N 1 1 372.390 3.497 50 30 FGEAMO C[C@@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(C#N)cc1 ZINC000012920821 206299033 /nfs/dbraw/zinc/29/90/33/206299033.db2.gz NZOSSVAKDMBIIX-QGZVFWFLSA-N 1 1 362.477 3.271 50 30 FGEAMO COc1ccc(C[NH+]2CCN(c3cc(C#N)cc([N+](=O)[O-])c3C)CC2)cc1 ZINC000042110206 136121212 /nfs/dbraw/zinc/12/12/12/136121212.db2.gz CCVRJJCVLMTTEU-UHFFFAOYSA-N 1 1 366.421 3.106 50 30 FGEAMO COc1cc2c(cc1OC)C[N@H+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000030672975 493903695 /nfs/dbraw/zinc/90/36/95/493903695.db2.gz UPUTZADZXIQPNR-UHFFFAOYSA-N 1 1 371.462 3.024 50 30 FGEAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000030672975 493903699 /nfs/dbraw/zinc/90/36/99/493903699.db2.gz UPUTZADZXIQPNR-UHFFFAOYSA-N 1 1 371.462 3.024 50 30 FGEAMO N#Cc1cccc(NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)n1 ZINC000082087644 493978592 /nfs/dbraw/zinc/97/85/92/493978592.db2.gz JKTSWFQIRAXFDP-UHFFFAOYSA-N 1 1 350.470 3.300 50 30 FGEAMO Cc1ccc(C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(C#CCO)cc2)s1 ZINC000072410716 494166727 /nfs/dbraw/zinc/16/67/27/494166727.db2.gz RZCZKLQXFZGLKN-NRFANRHFSA-N 1 1 363.486 3.271 50 30 FGEAMO Cc1ccc(C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(C#CCO)cc2)s1 ZINC000072410716 494166731 /nfs/dbraw/zinc/16/67/31/494166731.db2.gz RZCZKLQXFZGLKN-NRFANRHFSA-N 1 1 363.486 3.271 50 30 FGEAMO CCOc1ccc(NC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1C#N ZINC000096153981 495004360 /nfs/dbraw/zinc/00/43/60/495004360.db2.gz JYIHTFCWJPOBDT-GOSISDBHSA-N 1 1 350.422 3.135 50 30 FGEAMO CCO[C@@H]1C[C@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C12CCCC2 ZINC000252511749 497309780 /nfs/dbraw/zinc/30/97/80/497309780.db2.gz KHYGHRMVIVAKKL-LUKYLMHMSA-N 1 1 363.502 3.073 50 30 FGEAMO C[NH+]1CCN(N=Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000254317888 497347876 /nfs/dbraw/zinc/34/78/76/497347876.db2.gz DURRUQAPJIFLTM-UHFFFAOYSA-N 1 1 351.479 3.182 50 30 FGEAMO CO[C@H]1C[C@@H](CN(C)c2c(C#N)cnc3c(F)ccc(Cl)c32)[N@@H+](C)C1 ZINC000579144866 506103865 /nfs/dbraw/zinc/10/38/65/506103865.db2.gz VGVLTGLMBOXVRY-STQMWFEESA-N 1 1 362.836 3.054 50 30 FGEAMO COc1ccccc1CC(=[NH2+])NOC(=O)COc1cc(C)cc(C)c1C ZINC000004954694 524366390 /nfs/dbraw/zinc/36/63/90/524366390.db2.gz FKNRAYRREVEGEX-UHFFFAOYSA-N 1 1 356.422 3.057 50 30 FGEAMO N#Cc1c(NCCC[NH+]2CCOCC2)nc(-c2ccco2)c2c1CCCC2 ZINC000020588508 526528910 /nfs/dbraw/zinc/52/89/10/526528910.db2.gz YEINSMUSRDNVTN-UHFFFAOYSA-N 1 1 366.465 3.226 50 30 FGEAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)COc1ccc(C#N)cc1 ZINC000008750696 204343772 /nfs/dbraw/zinc/34/37/72/204343772.db2.gz SDHDZZCRAJTBFT-CTNGQTDRSA-N 1 1 361.445 3.080 50 30 FGEAMO C[N@H+]1CCCC2(CCN(C(=O)c3ccc(C#CC(C)(C)O)cc3)CC2)CC1 ZINC000067867308 205029914 /nfs/dbraw/zinc/02/99/14/205029914.db2.gz HLMXBVZEBXXXRG-UHFFFAOYSA-N 1 1 368.521 3.147 50 30 FGEAMO Cc1c(NCc2ccc(C[NH+]3CCOCC3)cc2)cc(C#N)cc1[N+](=O)[O-] ZINC000042110083 205094697 /nfs/dbraw/zinc/09/46/97/205094697.db2.gz DHEYOIYWHXKGLP-UHFFFAOYSA-N 1 1 366.421 3.219 50 30 FGEAMO N#Cc1ccccc1NC(=O)CCN1CCC[N@@H+](Cc2cccs2)CC1 ZINC000058166347 205253056 /nfs/dbraw/zinc/25/30/56/205253056.db2.gz HXRIBZREQRKKKU-UHFFFAOYSA-N 1 1 368.506 3.156 50 30 FGEAMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(Cc2cccs2)CC1 ZINC000058166347 205253058 /nfs/dbraw/zinc/25/30/58/205253058.db2.gz HXRIBZREQRKKKU-UHFFFAOYSA-N 1 1 368.506 3.156 50 30 FGEAMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN(Cc2cccs2)CC1 ZINC000058166347 205253061 /nfs/dbraw/zinc/25/30/61/205253061.db2.gz HXRIBZREQRKKKU-UHFFFAOYSA-N 1 1 368.506 3.156 50 30 FGEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262141 206080370 /nfs/dbraw/zinc/08/03/70/206080370.db2.gz DPFIJAYJGSCQAN-MRXNPFEDSA-N 1 1 354.841 3.457 50 30 FGEAMO COc1c2c(cc3c1[C@H](C/C(=N/O)c1cc(C)oc1C)[N@@H+](C)CC3)OCO2 ZINC000020111698 206328234 /nfs/dbraw/zinc/32/82/34/206328234.db2.gz YFADBNKBRMIIGJ-NOEYKIMYSA-N 1 1 372.421 3.431 50 30 FGEAMO Cc1cc(N2CCCC2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000071280560 136138733 /nfs/dbraw/zinc/13/87/33/136138733.db2.gz RTHOIJKLVNSSAO-UHFFFAOYSA-N 1 1 361.493 3.184 50 30 FGEAMO Cc1ccc(C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccc(C#CCO)cc2)s1 ZINC000072410717 494166674 /nfs/dbraw/zinc/16/66/74/494166674.db2.gz RZCZKLQXFZGLKN-OAQYLSRUSA-N 1 1 363.486 3.271 50 30 FGEAMO Cc1ccc(C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccc(C#CCO)cc2)s1 ZINC000072410717 494166678 /nfs/dbraw/zinc/16/66/78/494166678.db2.gz RZCZKLQXFZGLKN-OAQYLSRUSA-N 1 1 363.486 3.271 50 30 FGEAMO N#Cc1c(Cl)nc(N2CCOCC2)c2c1CC[N@H+](C1CCCCC1)C2 ZINC000013512235 494288500 /nfs/dbraw/zinc/28/85/00/494288500.db2.gz MRWDGQDWOVCQPV-UHFFFAOYSA-N 1 1 360.889 3.134 50 30 FGEAMO N#Cc1c(Cl)nc(N2CCOCC2)c2c1CC[N@@H+](C1CCCCC1)C2 ZINC000013512235 494288502 /nfs/dbraw/zinc/28/85/02/494288502.db2.gz MRWDGQDWOVCQPV-UHFFFAOYSA-N 1 1 360.889 3.134 50 30 FGEAMO C=CCSc1nnc([C@@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)n1C ZINC000020781612 494481905 /nfs/dbraw/zinc/48/19/05/494481905.db2.gz GTOSWIQBDRZIQT-CQSZACIVSA-N 1 1 374.510 3.187 50 30 FGEAMO N#CC1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095529632 494988248 /nfs/dbraw/zinc/98/82/48/494988248.db2.gz JSIQNKXCFSOENB-OAQYLSRUSA-N 1 1 371.525 3.038 50 30 FGEAMO CCOc1ccc(NC(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1C#N ZINC000096153980 495004435 /nfs/dbraw/zinc/00/44/35/495004435.db2.gz JYIHTFCWJPOBDT-SFHVURJKSA-N 1 1 350.422 3.135 50 30 FGEAMO COCCn1c(C)cnc1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000575317371 505959619 /nfs/dbraw/zinc/95/96/19/505959619.db2.gz HLXOACBSJWHGBN-FQEVSTJZSA-N 1 1 352.482 3.164 50 30 FGEAMO C[NH+](C)[C@@H](CNC(=O)N1CCC(C#N)(c2ccccc2)CC1)c1ccco1 ZINC000534654318 504205202 /nfs/dbraw/zinc/20/52/02/504205202.db2.gz ZAVZDHGPJQFFCH-SFHVURJKSA-N 1 1 366.465 3.149 50 30 FGEAMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCO2)c1C#N ZINC000089545095 525679185 /nfs/dbraw/zinc/67/91/85/525679185.db2.gz ZTWCXEQGDRYFJV-SFHVURJKSA-N 1 1 366.465 3.015 50 30 FGEAMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCO2)c1C#N ZINC000089545095 525679191 /nfs/dbraw/zinc/67/91/91/525679191.db2.gz ZTWCXEQGDRYFJV-SFHVURJKSA-N 1 1 366.465 3.015 50 30 FGEAMO Cc1cc(=N)n(C(Nc2ccc(Cl)cc2)=[NH+]C[C@H]2CCCO2)s1 ZINC000020343787 526098189 /nfs/dbraw/zinc/09/81/89/526098189.db2.gz MKTOIRDABBEHMR-CQSZACIVSA-N 1 1 350.875 3.486 50 30 FGEAMO [NH2+]=C(NOC(=O)C=Cc1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000004324003 204133160 /nfs/dbraw/zinc/13/31/60/204133160.db2.gz MWJCSWDHPKLVCF-LZCJLJQNSA-N 1 1 351.771 3.187 50 30 FGEAMO CC(C)CC[C@@H](C)NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046087045 205132676 /nfs/dbraw/zinc/13/26/76/205132676.db2.gz QTSUXXWRBZFFDM-GOSISDBHSA-N 1 1 356.514 3.011 50 30 FGEAMO CC(C)CC[C@@H](C)NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046087045 205132677 /nfs/dbraw/zinc/13/26/77/205132677.db2.gz QTSUXXWRBZFFDM-GOSISDBHSA-N 1 1 356.514 3.011 50 30 FGEAMO COc1ccc([C@](C#N)(CCCN2CC[NH+](C)CC2)C(C)C)cc1OC ZINC000034190703 494065705 /nfs/dbraw/zinc/06/57/05/494065705.db2.gz STRRGFDWXWJABX-NRFANRHFSA-N 1 1 359.514 3.149 50 30 FGEAMO C=CCn1cc(C[N@H+]2CCC[C@H](c3nc(-c4cccnc4)no3)C2)c(C)n1 ZINC000055153403 494307429 /nfs/dbraw/zinc/30/74/29/494307429.db2.gz LFSNBPMFJYECOK-KRWDZBQOSA-N 1 1 364.453 3.202 50 30 FGEAMO CCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2 ZINC000019597260 494452943 /nfs/dbraw/zinc/45/29/43/494452943.db2.gz ARHTUYFNICPVAK-UHFFFAOYSA-N 1 1 373.503 3.325 50 30 FGEAMO C=CCC(C)(C)C[N@H+]1CCN(C)C2(CCN(C(=O)N(CC)CC)CC2)C1 ZINC000067459365 494545395 /nfs/dbraw/zinc/54/53/95/494545395.db2.gz OIFJHORJHRQATK-UHFFFAOYSA-N 1 1 364.578 3.133 50 30 FGEAMO N#CC1(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CCCC1 ZINC000075107796 494690280 /nfs/dbraw/zinc/69/02/80/494690280.db2.gz YCPJHXYMDISINB-WOJBJXKFSA-N 1 1 369.509 3.307 50 30 FGEAMO Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)CC[C@@H]1CCC[N@H+](C)C1 ZINC000095381130 494970444 /nfs/dbraw/zinc/97/04/44/494970444.db2.gz PLKAAHVASIUMIH-INIZCTEOSA-N 1 1 352.482 3.129 50 30 FGEAMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1CC ZINC000097164624 495026888 /nfs/dbraw/zinc/02/68/88/495026888.db2.gz SPBLTVBTLICVPR-INIZCTEOSA-N 1 1 364.877 3.176 50 30 FGEAMO O=c1c2c(c1=[NH+]CCCNc1ccccc1)N(c1ccccc1)CCCN2 ZINC000198750219 496970472 /nfs/dbraw/zinc/97/04/72/496970472.db2.gz DKJXXZPJRMEWRN-UHFFFAOYSA-N 1 1 360.461 3.224 50 30 FGEAMO O=C(Cc1ccccc1Cl)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000075165025 527285753 /nfs/dbraw/zinc/28/57/53/527285753.db2.gz QCMGAGLNNXXODQ-UHFFFAOYSA-N 1 1 352.865 3.060 50 30 FGEAMO O=C(Cc1ccccc1Cl)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000075165025 527285761 /nfs/dbraw/zinc/28/57/61/527285761.db2.gz QCMGAGLNNXXODQ-UHFFFAOYSA-N 1 1 352.865 3.060 50 30 FGEAMO CCc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C#N)c1CC ZINC000185484748 712695313 /nfs/dbraw/zinc/69/53/13/712695313.db2.gz KNKHFCICBKHFPF-CQSZACIVSA-N 1 1 355.511 3.418 50 30 FGEAMO N#Cc1ccccc1N1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000052801134 205186826 /nfs/dbraw/zinc/18/68/26/205186826.db2.gz HDBDJAYATWYTDB-JOCHJYFZSA-N 1 1 374.488 3.090 50 30 FGEAMO C[N@H+](Cc1cccc(C(=O)Nc2ccc(C#N)cn2)c1)C[C@@H]1CCCCO1 ZINC000067867611 205399150 /nfs/dbraw/zinc/39/91/50/205399150.db2.gz GXXFKELLCUAUTL-IBGZPJMESA-N 1 1 364.449 3.206 50 30 FGEAMO Cc1ccc(C#N)c(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)n1 ZINC000091518994 132202071 /nfs/dbraw/zinc/20/20/71/132202071.db2.gz BLEHRYQVDJDMDZ-UHFFFAOYSA-N 1 1 364.478 3.347 50 30 FGEAMO N#Cc1cc(F)cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000072481539 494183721 /nfs/dbraw/zinc/18/37/21/494183721.db2.gz SVOIDUWIMSNCCK-UHFFFAOYSA-N 1 1 363.436 3.360 50 30 FGEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000012809054 494261052 /nfs/dbraw/zinc/26/10/52/494261052.db2.gz HDNRTOPIFDBGNE-KKSFZXQISA-N 1 1 363.461 3.331 50 30 FGEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000012809058 494261410 /nfs/dbraw/zinc/26/14/10/494261410.db2.gz HDNRTOPIFDBGNE-IIBYNOLFSA-N 1 1 363.461 3.331 50 30 FGEAMO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106223225 495437683 /nfs/dbraw/zinc/43/76/83/495437683.db2.gz QKTRVEMCCDSOAW-YOEHRIQHSA-N 1 1 371.872 3.381 50 30 FGEAMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106223225 495437689 /nfs/dbraw/zinc/43/76/89/495437689.db2.gz QKTRVEMCCDSOAW-YOEHRIQHSA-N 1 1 371.872 3.381 50 30 FGEAMO Cc1ccccc1[C@]1(O)CC[N@@H+](CCCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000252483994 497303932 /nfs/dbraw/zinc/30/39/32/497303932.db2.gz FLSNBWDJAUHIAA-QFIPXVFZSA-N 1 1 363.461 3.179 50 30 FGEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103167 518993947 /nfs/dbraw/zinc/99/39/47/518993947.db2.gz AGVMXTXIVBBXRE-GOSISDBHSA-N 1 1 373.424 3.120 50 30 FGEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103167 518993951 /nfs/dbraw/zinc/99/39/51/518993951.db2.gz AGVMXTXIVBBXRE-GOSISDBHSA-N 1 1 373.424 3.120 50 30 FGEAMO C[N@@H+](CC#CCNC(=O)CSCc1ccccc1)Cc1ccccc1 ZINC000075165133 522416352 /nfs/dbraw/zinc/41/63/52/522416352.db2.gz FEVPSXDMPQDTGH-UHFFFAOYSA-N 1 1 352.503 3.171 50 30 FGEAMO Cc1ccc(C#N)c(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000091426338 525991222 /nfs/dbraw/zinc/99/12/22/525991222.db2.gz CKGFNICCJHINMI-IBGZPJMESA-N 1 1 358.449 3.286 50 30 FGEAMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000007266208 204292367 /nfs/dbraw/zinc/29/23/67/204292367.db2.gz VZWJCPAPEWTZAK-AWEZNQCLSA-N 1 1 353.422 3.034 50 30 FGEAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000007266208 204292371 /nfs/dbraw/zinc/29/23/71/204292371.db2.gz VZWJCPAPEWTZAK-AWEZNQCLSA-N 1 1 353.422 3.034 50 30 FGEAMO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)c3ccccc3Cl)CC2)cc1 ZINC000040105801 205055957 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N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000095358321 209026467 /nfs/dbraw/zinc/02/64/67/209026467.db2.gz ITFJGDKBKOYPFD-GHTZIAJQSA-N 1 1 363.436 3.434 50 30 FGEAMO Cc1c[nH+]cn1CCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000095432320 209049043 /nfs/dbraw/zinc/04/90/43/209049043.db2.gz GNISJBAANVKQID-UHFFFAOYSA-N 1 1 364.405 3.055 50 30 FGEAMO N#Cc1cccnc1N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095498719 132212124 /nfs/dbraw/zinc/21/21/24/132212124.db2.gz GSVLVSHQPKGHHY-HNNXBMFYSA-N 1 1 350.451 3.039 50 30 FGEAMO CC[NH+]1CCN(c2nc(SC)nc(-c3ccc(C)cc3)c2C#N)CC1 ZINC000005607422 132258442 /nfs/dbraw/zinc/25/84/42/132258442.db2.gz VKELDQRCVHEYCR-UHFFFAOYSA-N 1 1 353.495 3.188 50 30 FGEAMO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801199 494062258 /nfs/dbraw/zinc/06/22/58/494062258.db2.gz PPAJLUPKDQXHIY-MRXNPFEDSA-N 1 1 366.440 3.237 50 30 FGEAMO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801199 494062260 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494437642 /nfs/dbraw/zinc/43/76/42/494437642.db2.gz OARSGNIKNHAVNN-FQEVSTJZSA-N 1 1 355.526 3.055 50 30 FGEAMO Cc1ccc2c(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000020407888 494472205 /nfs/dbraw/zinc/47/22/05/494472205.db2.gz BBRBPNFJZHCCBA-UHFFFAOYSA-N 1 1 373.456 3.291 50 30 FGEAMO Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)c1C ZINC000024772520 494663985 /nfs/dbraw/zinc/66/39/85/494663985.db2.gz QDSJSDMWRKPTPO-UHFFFAOYSA-N 1 1 364.449 3.074 50 30 FGEAMO Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)c1C ZINC000024772520 494663991 /nfs/dbraw/zinc/66/39/91/494663991.db2.gz QDSJSDMWRKPTPO-UHFFFAOYSA-N 1 1 364.449 3.074 50 30 FGEAMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)CC1 ZINC000299785580 518644897 /nfs/dbraw/zinc/64/48/97/518644897.db2.gz MHXOZWWKMADRAV-GOSISDBHSA-N 1 1 364.497 3.403 50 30 FGEAMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3nc(CNc4ncccn4)cc3C2)CC1 ZINC000299785580 518644902 /nfs/dbraw/zinc/64/49/02/518644902.db2.gz MHXOZWWKMADRAV-GOSISDBHSA-N 1 1 364.497 3.403 50 30 FGEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000036103657 518988853 /nfs/dbraw/zinc/98/88/53/518988853.db2.gz UVVMBVRLRPJMLN-FQEVSTJZSA-N 1 1 371.477 3.270 50 30 FGEAMO C=CCOc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000091943802 519052495 /nfs/dbraw/zinc/05/24/95/519052495.db2.gz PEKVUOPVXPYOBQ-QFIPXVFZSA-N 1 1 354.494 3.476 50 30 FGEAMO COc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)c(OC)c1 ZINC000019800701 523439755 /nfs/dbraw/zinc/43/97/55/523439755.db2.gz FWYZDSDQDGMKDH-HZHRSRAPSA-N 1 1 367.493 3.472 50 30 FGEAMO [NH2+]=C(NOC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000004523754 207025474 /nfs/dbraw/zinc/02/54/74/207025474.db2.gz RFNMTAINSPKXSO-UHFFFAOYSA-N 1 1 354.149 3.379 50 30 FGEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000012809049 494261079 /nfs/dbraw/zinc/26/10/79/494261079.db2.gz HDNRTOPIFDBGNE-IERDGZPVSA-N 1 1 363.461 3.331 50 30 FGEAMO COc1c2c(cc3c1[C@H](CC(=NO)c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000252693579 497318017 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CN(C)C(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#CCO)cs2)s1 ZINC000020865066 210155831 /nfs/dbraw/zinc/15/58/31/210155831.db2.gz NTFIEHIVILULKV-INIZCTEOSA-N 1 1 374.531 3.192 50 30 FGEAMO CN(C)C(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#CCO)cs2)s1 ZINC000020865066 210155834 /nfs/dbraw/zinc/15/58/34/210155834.db2.gz NTFIEHIVILULKV-INIZCTEOSA-N 1 1 374.531 3.192 50 30 FGEAMO C[N@@H+]1[C@@H]2CCC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc4c(c3)OCCO4)c12 ZINC000067587944 221261508 /nfs/dbraw/zinc/26/15/08/221261508.db2.gz JGAQUYGSCKXIRY-XJKSGUPXSA-N 1 1 362.433 3.055 50 30 FGEAMO CCn1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C2CCCC2)cn1 ZINC000071765144 221371913 /nfs/dbraw/zinc/37/19/13/221371913.db2.gz VRYFOMPJEWVKMW-MAUKXSAKSA-N 1 1 362.481 3.423 50 30 FGEAMO N#Cc1cc(F)cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000077287265 494049086 /nfs/dbraw/zinc/04/90/86/494049086.db2.gz BFEGKCQOBBZZMD-UHFFFAOYSA-N 1 1 365.452 3.478 50 30 FGEAMO N#Cc1c(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cn2ccccc12 ZINC000008704798 494100538 /nfs/dbraw/zinc/10/05/38/494100538.db2.gz HMFRMWVKQQKFAW-UHFFFAOYSA-N 1 1 374.444 3.367 50 30 FGEAMO N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091966675 494738083 /nfs/dbraw/zinc/73/80/83/494738083.db2.gz ZGNAHYNNRXXAMY-FXAWDEMLSA-N 1 1 363.436 3.434 50 30 FGEAMO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2COc3c(C)cccc3C2)C1 ZINC000329646755 497856641 /nfs/dbraw/zinc/85/66/41/497856641.db2.gz ZZSGQEXQGBLDQI-ZWKOTPCHSA-N 1 1 368.481 3.309 50 30 FGEAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2COc3c(C)cccc3C2)C1 ZINC000329646755 497856648 /nfs/dbraw/zinc/85/66/48/497856648.db2.gz ZZSGQEXQGBLDQI-ZWKOTPCHSA-N 1 1 368.481 3.309 50 30 FGEAMO Cc1ccc(C[NH+]2CCN(N=Cc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000244831483 524461416 /nfs/dbraw/zinc/46/14/16/524461416.db2.gz UEOWIYVGOTXFDR-UHFFFAOYSA-N 1 1 352.438 3.363 50 30 FGEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000004322426 526810407 /nfs/dbraw/zinc/81/04/07/526810407.db2.gz UMVYMGQYUFWUCQ-UHFFFAOYSA-N 1 1 353.161 3.199 50 30 FGEAMO C=CC[N@@H+]1CCCn2nc(CN3CC[C@@H](c4ccccc4F)C3)cc2C1 ZINC000216866546 210158154 /nfs/dbraw/zinc/15/81/54/210158154.db2.gz PVABDOBWWJPOAK-QGZVFWFLSA-N 1 1 354.473 3.403 50 30 FGEAMO CN(C)C(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#CCO)s2)s1 ZINC000020774153 210156275 /nfs/dbraw/zinc/15/62/75/210156275.db2.gz QZKCJNOWAPEBGM-INIZCTEOSA-N 1 1 374.531 3.192 50 30 FGEAMO CN(C)C(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#CCO)s2)s1 ZINC000020774153 210156277 /nfs/dbraw/zinc/15/62/77/210156277.db2.gz QZKCJNOWAPEBGM-INIZCTEOSA-N 1 1 374.531 3.192 50 30 FGEAMO C=CCN1CC[C@@]2(CN(Cc3ccc(Cl)cc3)CC[N@@H+]2C)CCC1=O ZINC000107401683 210139808 /nfs/dbraw/zinc/13/98/08/210139808.db2.gz SESQITPYSGYIEW-HXUWFJFHSA-N 1 1 361.917 3.025 50 30 FGEAMO C[C@@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000012903533 211006018 /nfs/dbraw/zinc/00/60/18/211006018.db2.gz IPAKOYVAFPGSRT-QGZVFWFLSA-N 1 1 362.477 3.271 50 30 FGEAMO COc1c2c(cc3c1[C@@H](C/C(=N/O)c1cc(C)oc1C)[N@@H+](C)CC3)OCO2 ZINC000020111700 220313501 /nfs/dbraw/zinc/31/35/01/220313501.db2.gz YFADBNKBRMIIGJ-KQRQPNSISA-N 1 1 372.421 3.431 50 30 FGEAMO Cc1ccc(C#N)c(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000091665639 132202990 /nfs/dbraw/zinc/20/29/90/132202990.db2.gz YOIKLNZJJMIVNF-SFHVURJKSA-N 1 1 358.449 3.286 50 30 FGEAMO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)o1 ZINC000077319095 494057211 /nfs/dbraw/zinc/05/72/11/494057211.db2.gz MBAQDVIHQQRCIQ-UHFFFAOYSA-N 1 1 365.477 3.362 50 30 FGEAMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2CCCC2)c1C#N ZINC000008142189 494071019 /nfs/dbraw/zinc/07/10/19/494071019.db2.gz HATXVKZRNVXIIE-UHFFFAOYSA-N 1 1 354.429 3.198 50 30 FGEAMO C=CC[N@H+]1CCC[C@@H]1C(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067895869 518859343 /nfs/dbraw/zinc/85/93/43/518859343.db2.gz BUDJBLQWTVFXJX-HXUWFJFHSA-N 1 1 364.493 3.433 50 30 FGEAMO C=CC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067895869 518859354 /nfs/dbraw/zinc/85/93/54/518859354.db2.gz BUDJBLQWTVFXJX-HXUWFJFHSA-N 1 1 364.493 3.433 50 30 FGEAMO C=CC[N@H+]1CCC[C@@H]1C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067895869 518859358 /nfs/dbraw/zinc/85/93/58/518859358.db2.gz BUDJBLQWTVFXJX-HXUWFJFHSA-N 1 1 364.493 3.433 50 30 FGEAMO COc1ccc(C(=[NH2+])NOC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004318702 523368650 /nfs/dbraw/zinc/36/86/50/523368650.db2.gz FQMHZVXTYFVBMJ-UHFFFAOYSA-N 1 1 358.438 3.084 50 30 FGEAMO OCC[C@H]1CN(CC#Cc2ccccc2)CC[N@H+]1CCCc1ccccc1 ZINC000022920355 527571468 /nfs/dbraw/zinc/57/14/68/527571468.db2.gz IPBZKTUGKPRFPV-DEOSSOPVSA-N 1 1 362.517 3.040 50 30 FGEAMO COc1ccc(Cl)cc1C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000014200929 211085147 /nfs/dbraw/zinc/08/51/47/211085147.db2.gz WYPDJCCMTZNWKH-KRWDZBQOSA-N 1 1 360.841 3.092 50 30 FGEAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(c1nc(C(C)C)ccc1C#N)CC2 ZINC000091391259 132201475 /nfs/dbraw/zinc/20/14/75/132201475.db2.gz UCTPUNBVONWYOF-UHFFFAOYSA-N 1 1 364.497 3.173 50 30 FGEAMO Cc1cc(C)c(C#N)c(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)n1 ZINC000004271535 493870724 /nfs/dbraw/zinc/87/07/24/493870724.db2.gz ZUVIQGVPQYCQRJ-UHFFFAOYSA-N 1 1 370.884 3.425 50 30 FGEAMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000031173912 493930207 /nfs/dbraw/zinc/93/02/07/493930207.db2.gz FBFWDDOVBSHPEY-OAHLLOKOSA-N 1 1 371.462 3.110 50 30 FGEAMO C=CCNC(=O)CC[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067514922 494555638 /nfs/dbraw/zinc/55/56/38/494555638.db2.gz HKWWAZWSDZIQJN-UHFFFAOYSA-N 1 1 366.461 3.254 50 30 FGEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000025580072 494758902 /nfs/dbraw/zinc/75/89/02/494758902.db2.gz YIMYFMSQIWOQPU-HEHNFIMWSA-N 1 1 352.438 3.445 50 30 FGEAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cccc(-c2ccc(C#N)cc2)c1 ZINC000426684598 500306641 /nfs/dbraw/zinc/30/66/41/500306641.db2.gz ZOBXHJTUFXUSGM-SFTDATJTSA-N 1 1 363.461 3.063 50 30 FGEAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(C#N)CC3)cc2)C1 ZINC000057993114 524233690 /nfs/dbraw/zinc/23/36/90/524233690.db2.gz KXYWOELKOUHJDV-QGZVFWFLSA-N 1 1 354.498 3.364 50 30 FGEAMO C[C@](C#N)(NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000055855403 525135796 /nfs/dbraw/zinc/13/57/96/525135796.db2.gz UDUUNULCAXVUDE-LEWJYISDSA-N 1 1 351.425 3.313 50 30 FGEAMO C[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccccc1Cl ZINC000012819904 220034057 /nfs/dbraw/zinc/03/40/57/220034057.db2.gz UQNLSURDVGGNEJ-UHFFFAOYSA-N 1 1 370.840 3.111 50 30 FGEAMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccccc1Cl ZINC000012819904 220034060 /nfs/dbraw/zinc/03/40/60/220034060.db2.gz UQNLSURDVGGNEJ-UHFFFAOYSA-N 1 1 370.840 3.111 50 30 FGEAMO C=C(C)C[N@H+](CC)[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 ZINC000014748435 220132486 /nfs/dbraw/zinc/13/24/86/220132486.db2.gz SPCYPOQNEKYZTD-QGZVFWFLSA-N 1 1 358.530 3.284 50 30 FGEAMO N#Cc1c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cn2ccccc12 ZINC000014776859 220133192 /nfs/dbraw/zinc/13/31/92/220133192.db2.gz XQOMYFMXFPLVJQ-UHFFFAOYSA-N 1 1 358.445 3.205 50 30 FGEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccccc3Cn3cccn3)c12 ZINC000071759792 221366936 /nfs/dbraw/zinc/36/69/36/221366936.db2.gz NDHPMHFLHQFWHD-HNAYVOBHSA-N 1 1 370.460 3.139 50 30 FGEAMO CC(C)[N@H+]1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@H]1CCO ZINC000104464364 222358398 /nfs/dbraw/zinc/35/83/98/222358398.db2.gz MAPWAZBGJWESGX-XMMPIXPASA-N 1 1 362.517 3.363 50 30 FGEAMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@](CCOC)(C(=O)OCC)C1 ZINC000011873402 494194926 /nfs/dbraw/zinc/19/49/26/494194926.db2.gz SCESITGVUBAISN-NRFANRHFSA-N 1 1 361.482 3.433 50 30 FGEAMO CC[N@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741662 494240799 /nfs/dbraw/zinc/24/07/99/494240799.db2.gz NLIBYAIFAILUMA-HNNXBMFYSA-N 1 1 365.433 3.366 50 30 FGEAMO CC[N@@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741662 494240802 /nfs/dbraw/zinc/24/08/02/494240802.db2.gz NLIBYAIFAILUMA-HNNXBMFYSA-N 1 1 365.433 3.366 50 30 FGEAMO O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)Nc1c(F)cccc1F ZINC000075165062 494701540 /nfs/dbraw/zinc/70/15/40/494701540.db2.gz CXQIQZSNEYNPOW-UHFFFAOYSA-N 1 1 355.388 3.148 50 30 FGEAMO O=C(NCC#CC[N@H+]1CCc2ccccc2C1)Nc1c(F)cccc1F ZINC000075165062 494701546 /nfs/dbraw/zinc/70/15/46/494701546.db2.gz CXQIQZSNEYNPOW-UHFFFAOYSA-N 1 1 355.388 3.148 50 30 FGEAMO CC(=O)Oc1ccc(C(C)=NN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000252633346 497313760 /nfs/dbraw/zinc/31/37/60/497313760.db2.gz WCYZPGKRINRVEQ-UHFFFAOYSA-N 1 1 365.477 3.462 50 30 FGEAMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000329722189 497879870 /nfs/dbraw/zinc/87/98/70/497879870.db2.gz AYKZJJOEPSYRQT-MRXNPFEDSA-N 1 1 371.485 3.260 50 30 FGEAMO C=CCOc1ccccc1CN1CC[N@@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000020452576 519070165 /nfs/dbraw/zinc/07/01/65/519070165.db2.gz XSYJURNRLYTCPP-IBGZPJMESA-N 1 1 372.534 3.382 50 30 FGEAMO C[C@@](C#N)(NC(=O)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000058307150 525738063 /nfs/dbraw/zinc/73/80/63/525738063.db2.gz WLBKWTZQBDCGAC-NRFANRHFSA-N 1 1 369.415 3.452 50 30 FGEAMO C#CC[N@H+](Cc1c(C(=O)N2CCCC2)nc2ccccn21)C1CCCCC1 ZINC000020208960 220318141 /nfs/dbraw/zinc/31/81/41/220318141.db2.gz CNAGXXOOFIBLNF-UHFFFAOYSA-N 1 1 364.493 3.338 50 30 FGEAMO Cc1c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C2CCCC2)cnn1C ZINC000071761399 221367956 /nfs/dbraw/zinc/36/79/56/221367956.db2.gz JJBVCVMVFIHPFI-KBXCAEBGSA-N 1 1 362.481 3.249 50 30 FGEAMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2Cl)CC1 ZINC000004412845 132386941 /nfs/dbraw/zinc/38/69/41/132386941.db2.gz GYWDOVOZYWBYQE-UHFFFAOYSA-N 1 1 372.831 3.355 50 30 FGEAMO C=CCNC(=O)COc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](CC)CC2 ZINC000034667413 494066878 /nfs/dbraw/zinc/06/68/78/494066878.db2.gz LYZCRODWJAUARD-QFIPXVFZSA-N 1 1 350.462 3.335 50 30 FGEAMO CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000009157252 494115652 /nfs/dbraw/zinc/11/56/52/494115652.db2.gz DEGBOGNTPPIBOQ-LFYBBSHMSA-N 1 1 363.461 3.293 50 30 FGEAMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000046086687 494493052 /nfs/dbraw/zinc/49/30/52/494493052.db2.gz WBYFADHMVCEVCJ-UHFFFAOYSA-N 1 1 374.488 3.050 50 30 FGEAMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000046086687 494493055 /nfs/dbraw/zinc/49/30/55/494493055.db2.gz WBYFADHMVCEVCJ-UHFFFAOYSA-N 1 1 374.488 3.050 50 30 FGEAMO O=C(NCCc1ccc(O)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000328827530 498952697 /nfs/dbraw/zinc/95/26/97/498952697.db2.gz SQHHZKWGNOOMJS-UHFFFAOYSA-N 1 1 359.514 3.437 50 30 FGEAMO CN(C)C(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#CCO)s2)s1 ZINC000020774155 524026476 /nfs/dbraw/zinc/02/64/76/524026476.db2.gz QZKCJNOWAPEBGM-MRXNPFEDSA-N 1 1 374.531 3.192 50 30 FGEAMO CN(C)C(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#CCO)s2)s1 ZINC000020774155 524026479 /nfs/dbraw/zinc/02/64/79/524026479.db2.gz QZKCJNOWAPEBGM-MRXNPFEDSA-N 1 1 374.531 3.192 50 30 FGEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000244852741 524460240 /nfs/dbraw/zinc/46/02/40/524460240.db2.gz UXTCQJTVFRSUHB-UHFFFAOYSA-N 1 1 352.438 3.363 50 30 FGEAMO N#Cc1ccc(OCC[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000013683128 220086176 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C=CC[N@H+](C[C@H](O)COc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146912 494087877 /nfs/dbraw/zinc/08/78/77/494087877.db2.gz YUXHDJZNEAIPNM-FPOVZHCZSA-N 1 1 366.461 3.108 50 30 FGEAMO C=CC[N@H+](C[C@H](O)COc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036146915 494088352 /nfs/dbraw/zinc/08/83/52/494088352.db2.gz YUXHDJZNEAIPNM-PZJWPPBQSA-N 1 1 366.461 3.108 50 30 FGEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-c3cnn(CC)c3)cc2)C[C@H]1C ZINC000534575279 504179794 /nfs/dbraw/zinc/17/97/94/504179794.db2.gz USBKJKZFGFAOMU-IAGOWNOFSA-N 1 1 352.482 3.291 50 30 FGEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-c3cnn(CC)c3)cc2)C[C@H]1C ZINC000534575279 504179800 /nfs/dbraw/zinc/17/98/00/504179800.db2.gz USBKJKZFGFAOMU-IAGOWNOFSA-N 1 1 352.482 3.291 50 30 FGEAMO C=CC[N@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000095521679 518859128 /nfs/dbraw/zinc/85/91/28/518859128.db2.gz KDPYKSYEJJGGNS-NRFANRHFSA-N 1 1 355.526 3.009 50 30 FGEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103169 518988254 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30 FGEAMO [NH2+]=C(NC(=NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000005602339 493936031 /nfs/dbraw/zinc/93/60/31/493936031.db2.gz IWOBFXBOJJCKCO-UHFFFAOYSA-N 1 1 363.442 3.228 50 30 FGEAMO C[C@@H](NC(=S)NCCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000013688140 494293780 /nfs/dbraw/zinc/29/37/80/494293780.db2.gz JSDXAZIHPHAWBH-HWWITLHISA-N 1 1 365.587 3.189 50 30 FGEAMO CC(=O)Oc1ccc(/C(C)=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019879317 519758752 /nfs/dbraw/zinc/75/87/52/519758752.db2.gz XOSPBUZLDPCYJP-OQKWZONESA-N 1 1 351.450 3.154 50 30 FGEAMO COc1ccc(C=CC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1OC ZINC000008209415 523399776 /nfs/dbraw/zinc/39/97/76/523399776.db2.gz COJXQIZCCHUNTR-ONNFQVAWSA-N 1 1 360.797 3.234 50 30 FGEAMO COc1ccc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1OC ZINC000244874712 523883728 /nfs/dbraw/zinc/88/37/28/523883728.db2.gz XGACZNQQTYRTBP-UHFFFAOYSA-N 1 1 367.493 3.472 50 30 FGEAMO COc1ccccc1CC(=[NH2+])NOC(=O)COc1ccc2ccccc2c1 ZINC000005102013 524367209 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Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077354137 494065569 /nfs/dbraw/zinc/06/55/69/494065569.db2.gz SBUHRNWNCZZATN-FCHUYYIVSA-N 1 1 359.473 3.361 50 30 FGEAMO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1ccccc1Cl ZINC000008262293 494079329 /nfs/dbraw/zinc/07/93/29/494079329.db2.gz IQKQKYJFQILNFF-SFHVURJKSA-N 1 1 357.841 3.010 50 30 FGEAMO N#Cc1ccccc1C[N@@H+]1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072147795 494135080 /nfs/dbraw/zinc/13/50/80/494135080.db2.gz WWGCGYWTJDBTSF-YTFSRNRJSA-N 1 1 359.473 3.326 50 30 FGEAMO N#Cc1ccccc1CN1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072147795 494135082 /nfs/dbraw/zinc/13/50/82/494135082.db2.gz WWGCGYWTJDBTSF-YTFSRNRJSA-N 1 1 359.473 3.326 50 30 FGEAMO CC[N@H+]1CCc2nc(N)c(C#N)c(-c3cc(F)c(OC)c(Cl)c3)c2C1 ZINC000072152810 494135902 /nfs/dbraw/zinc/13/59/02/494135902.db2.gz BIKNSRUYIKRQPX-UHFFFAOYSA-N 1 1 360.820 3.382 50 30 FGEAMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH+]2CCCCC2)cc1 ZINC000012551265 494241600 /nfs/dbraw/zinc/24/16/00/494241600.db2.gz RSEUAUHLTYHVED-UHFFFAOYSA-N 1 1 366.465 3.399 50 30 FGEAMO CN(Cc1cc(C#CCO)cs1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000019227388 494438229 /nfs/dbraw/zinc/43/82/29/494438229.db2.gz VGQZJFRUXCXYDP-OAQYLSRUSA-N 1 1 368.546 3.231 50 30 FGEAMO C[N@H+](Cc1cc(C#CCO)cs1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000019227388 494438234 /nfs/dbraw/zinc/43/82/34/494438234.db2.gz VGQZJFRUXCXYDP-OAQYLSRUSA-N 1 1 368.546 3.231 50 30 FGEAMO C[N@@H+](Cc1cc(C#CCO)cs1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000019227388 494438237 /nfs/dbraw/zinc/43/82/37/494438237.db2.gz VGQZJFRUXCXYDP-OAQYLSRUSA-N 1 1 368.546 3.231 50 30 FGEAMO CC(C)[N@H+]1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@@H]1CCO ZINC000023358102 494561703 /nfs/dbraw/zinc/56/17/03/494561703.db2.gz MAPWAZBGJWESGX-DEOSSOPVSA-N 1 1 362.517 3.363 50 30 FGEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000024763631 494660934 /nfs/dbraw/zinc/66/09/34/494660934.db2.gz WFGIUVVFRSIWBR-IIBYNOLFSA-N 1 1 363.461 3.331 50 30 FGEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000024763616 494662143 /nfs/dbraw/zinc/66/21/43/494662143.db2.gz WFGIUVVFRSIWBR-IERDGZPVSA-N 1 1 363.461 3.331 50 30 FGEAMO CC(C)C[N@H+]1CCN(Cc2ccc(-c3ccccc3C#N)o2)C[C@@H]1CCO ZINC000215955153 496985022 /nfs/dbraw/zinc/98/50/22/496985022.db2.gz OBKPKUMWDAGPCF-IBGZPJMESA-N 1 1 367.493 3.343 50 30 FGEAMO Cc1cc(C)n([C@H]2CC[N@@H+](CCCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000252483313 497303644 /nfs/dbraw/zinc/30/36/44/497303644.db2.gz DYWUBBRBHFKQQC-IBGZPJMESA-N 1 1 351.454 3.037 50 30 FGEAMO CN1CC[N@@H+](CCCC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000244723695 497369160 /nfs/dbraw/zinc/36/91/60/497369160.db2.gz MFPXRJGGZCHGTP-NRFANRHFSA-N 1 1 362.477 3.266 50 30 FGEAMO C[N@@H+]1CCN(CCCC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000244723695 497369162 /nfs/dbraw/zinc/36/91/62/497369162.db2.gz MFPXRJGGZCHGTP-NRFANRHFSA-N 1 1 362.477 3.266 50 30 FGEAMO C[N@H+]1CCN(CCCC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000244723695 497369166 /nfs/dbraw/zinc/36/91/66/497369166.db2.gz MFPXRJGGZCHGTP-NRFANRHFSA-N 1 1 362.477 3.266 50 30 FGEAMO Cc1nc(CC2CC2)sc1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000328717067 498912861 /nfs/dbraw/zinc/91/28/61/498912861.db2.gz FCOHGYAUMFSGDB-UHFFFAOYSA-N 1 1 359.499 3.111 50 30 FGEAMO C=C(C)Cn1nc(C)c(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1C ZINC000217820586 518642802 /nfs/dbraw/zinc/64/28/02/518642802.db2.gz LMHLQTBXEIVBIM-PZJWPPBQSA-N 1 1 372.557 3.389 50 30 FGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)C4CCN(C)CC4)[C@H]3C[C@@H]12 ZINC000004028430 219535099 /nfs/dbraw/zinc/53/50/99/219535099.db2.gz WNMJQUYXUIYGDN-OUUKCGNVSA-N 1 1 360.542 3.327 50 30 FGEAMO C#Cc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1 ZINC000023373689 263387152 /nfs/dbraw/zinc/38/71/52/263387152.db2.gz CMHXCEMOSYBEDL-HXUWFJFHSA-N 1 1 370.443 3.015 50 30 FGEAMO C#Cc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1 ZINC000023373689 263387154 /nfs/dbraw/zinc/38/71/54/263387154.db2.gz CMHXCEMOSYBEDL-HXUWFJFHSA-N 1 1 370.443 3.015 50 30 FGEAMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000002692776 493815464 /nfs/dbraw/zinc/81/54/64/493815464.db2.gz VGWUFXZDHVMWPU-FQEVSTJZSA-N 1 1 353.462 3.222 50 30 FGEAMO Cc1ccccc1N[NH+]=Cc1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000004719484 493888883 /nfs/dbraw/zinc/88/88/83/493888883.db2.gz NWAWSNMBLFCGMT-XSFVSMFZSA-N 1 1 353.426 3.101 50 30 FGEAMO CC[N@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741665 494240426 /nfs/dbraw/zinc/24/04/26/494240426.db2.gz NLIBYAIFAILUMA-OAHLLOKOSA-N 1 1 365.433 3.366 50 30 FGEAMO CC[N@@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741665 494240431 /nfs/dbraw/zinc/24/04/31/494240431.db2.gz NLIBYAIFAILUMA-OAHLLOKOSA-N 1 1 365.433 3.366 50 30 FGEAMO CCCCCCCCCCCCNC(=O)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000100821542 520009111 /nfs/dbraw/zinc/00/91/11/520009111.db2.gz GGSFBZYPHYHMTA-SFHVURJKSA-N 1 1 353.551 3.221 50 30 FGEAMO CCOc1cc(/C=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1O ZINC000016688784 520647564 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C[C@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(C#N)cc1 ZINC000012920826 220043198 /nfs/dbraw/zinc/04/31/98/220043198.db2.gz NZOSSVAKDMBIIX-KRWDZBQOSA-N 1 1 362.477 3.271 50 30 FGEAMO C=CCSc1nnc([C@H]2CCC[N@H+](Cc3ccc(OC)cc3O)C2)n1C ZINC000014981056 220138689 /nfs/dbraw/zinc/13/86/89/220138689.db2.gz FIKQKMIUCXEKNA-HNNXBMFYSA-N 1 1 374.510 3.187 50 30 FGEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3cccc(-n4cccn4)c3)c12 ZINC000067965660 221309176 /nfs/dbraw/zinc/30/91/76/221309176.db2.gz GPAYZUYXZKJLBC-KBXCAEBGSA-N 1 1 356.433 3.080 50 30 FGEAMO N#Cc1ccc(-n2cccc2C[N@@H+]2CCC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000071405578 221346325 /nfs/dbraw/zinc/34/63/25/221346325.db2.gz VDCIZYSFHLYYLL-LJQANCHMSA-N 1 1 362.477 3.183 50 30 FGEAMO CCCC[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000071844459 221382948 /nfs/dbraw/zinc/38/29/48/221382948.db2.gz OTKIRTXASDXEGK-INIZCTEOSA-N 1 1 372.513 3.088 50 30 FGEAMO N#Cc1cccnc1N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095498720 132211969 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