smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1csc(CCc3ccccc3)n1)CC2 ZINC000568071572 567835541 /nfs/dbraw/zinc/83/55/41/567835541.db2.gz LXLDLNBWMJELLK-NRFANRHFSA-N 1 1 359.498 4.577 20 30 FJEDMO CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602488032 567985802 /nfs/dbraw/zinc/98/58/02/567985802.db2.gz REBHRBPTKHSZRQ-SFHVURJKSA-N 1 1 366.509 4.566 20 30 FJEDMO N#CCCC[C@@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1 ZINC000602669422 568014485 /nfs/dbraw/zinc/01/44/85/568014485.db2.gz IQMUXXFHFNMHGQ-OAQYLSRUSA-N 1 1 371.488 4.669 20 30 FJEDMO CC[C@@H](C[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000481731355 568098256 /nfs/dbraw/zinc/09/82/56/568098256.db2.gz DZLUYVRRLYOYBQ-SFHVURJKSA-N 1 1 360.461 4.624 20 30 FJEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1OC ZINC000302989753 568246268 /nfs/dbraw/zinc/24/62/68/568246268.db2.gz MHLJPJKOHNNZAF-UHFFFAOYSA-N 1 1 371.278 4.518 20 30 FJEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1OC ZINC000302989753 568246269 /nfs/dbraw/zinc/24/62/69/568246269.db2.gz MHLJPJKOHNNZAF-UHFFFAOYSA-N 1 1 371.278 4.518 20 30 FJEDMO C=CCOc1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1Cl ZINC000303211015 568258244 /nfs/dbraw/zinc/25/82/44/568258244.db2.gz RHYRVKXXWQCIEJ-NRFANRHFSA-N 1 1 370.924 4.832 20 30 FJEDMO N#Cc1ccccc1COc1cccc(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000569410629 568401179 /nfs/dbraw/zinc/40/11/79/568401179.db2.gz CLDOVAJPCASSHC-UHFFFAOYSA-N 1 1 369.468 4.697 20 30 FJEDMO N#Cc1cccc(C2([NH2+][C@@H]3CCc4c3c(Br)ccc4F)CC2)c1 ZINC000570063662 568443203 /nfs/dbraw/zinc/44/32/03/568443203.db2.gz YOWQXRWCTQKZNC-QGZVFWFLSA-N 1 1 371.253 4.726 20 30 FJEDMO Fc1ccc(SCC[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000605026538 568531412 /nfs/dbraw/zinc/53/14/12/568531412.db2.gz ADADHAAVTVGHMJ-UHFFFAOYSA-N 1 1 361.326 4.735 20 30 FJEDMO N#Cc1ccc(OCC[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000015572198 211132557 /nfs/dbraw/zinc/13/25/57/211132557.db2.gz SFMZEVPAGNGKEQ-FQEVSTJZSA-N 1 1 366.511 4.708 20 30 FJEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568573309 568058467 /nfs/dbraw/zinc/05/84/67/568058467.db2.gz XVVCDYPECSDTTP-GWCFXTLKSA-N 1 1 350.306 4.740 20 30 FJEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568573309 568058468 /nfs/dbraw/zinc/05/84/68/568058468.db2.gz XVVCDYPECSDTTP-GWCFXTLKSA-N 1 1 350.306 4.740 20 30 FJEDMO N#Cc1ccc(C[N@H+](Cc2cccc(Br)c2)C2CC2)c(F)c1 ZINC000026446910 568161459 /nfs/dbraw/zinc/16/14/59/568161459.db2.gz SQYKKPLSLFSQFS-UHFFFAOYSA-N 1 1 359.242 4.624 20 30 FJEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)c(F)c1 ZINC000026446910 568161461 /nfs/dbraw/zinc/16/14/61/568161461.db2.gz SQYKKPLSLFSQFS-UHFFFAOYSA-N 1 1 359.242 4.624 20 30 FJEDMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000603849714 568164389 /nfs/dbraw/zinc/16/43/89/568164389.db2.gz AVLNTPKDIJXKFX-FQEVSTJZSA-N 1 1 363.505 4.552 20 30 FJEDMO CC(C)COC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccco1 ZINC000481930506 568189710 /nfs/dbraw/zinc/18/97/10/568189710.db2.gz ZZSFWTPYRCYVCN-RTWAWAEBSA-N 1 1 352.478 4.922 20 30 FJEDMO CCCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccc(C)o1 ZINC000604493655 568304058 /nfs/dbraw/zinc/30/40/58/568304058.db2.gz VOAAFSIZBLEDMP-LJQANCHMSA-N 1 1 367.493 4.698 20 30 FJEDMO CCCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccc(C)o1 ZINC000604493655 568304059 /nfs/dbraw/zinc/30/40/59/568304059.db2.gz VOAAFSIZBLEDMP-LJQANCHMSA-N 1 1 367.493 4.698 20 30 FJEDMO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](CCC#N)c1ccc(OC)cc1)CCO2 ZINC000365234790 568343403 /nfs/dbraw/zinc/34/34/03/568343403.db2.gz QIXHINFPUHWVPI-SFTDATJTSA-N 1 1 366.461 4.552 20 30 FJEDMO CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602766185 568026855 /nfs/dbraw/zinc/02/68/55/568026855.db2.gz DCLNQNNDUGDOGI-DYESRHJHSA-N 1 1 368.525 4.607 20 30 FJEDMO COc1cccc(-c2nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)co2)c1 ZINC000602838632 568050888 /nfs/dbraw/zinc/05/08/88/568050888.db2.gz GOJLOESEYQFHJH-NRFANRHFSA-N 1 1 361.445 4.875 20 30 FJEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568573311 568058450 /nfs/dbraw/zinc/05/84/50/568058450.db2.gz XVVCDYPECSDTTP-MFKMUULPSA-N 1 1 350.306 4.740 20 30 FJEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568573311 568058451 /nfs/dbraw/zinc/05/84/51/568058451.db2.gz XVVCDYPECSDTTP-MFKMUULPSA-N 1 1 350.306 4.740 20 30 FJEDMO C[C@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)c1ccc(C#N)cc1F ZINC000541905005 568204330 /nfs/dbraw/zinc/20/43/30/568204330.db2.gz IEWQTFXNPXNMBP-HNNXBMFYSA-N 1 1 353.441 4.655 20 30 FJEDMO C=CCOc1ccc(C[NH2+]Cc2cccnc2OC2CCCC2)cc1Cl ZINC000303197939 568259720 /nfs/dbraw/zinc/25/97/20/568259720.db2.gz NWILLHILJKNGOQ-UHFFFAOYSA-N 1 1 372.896 4.911 20 30 FJEDMO CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602766188 568026783 /nfs/dbraw/zinc/02/67/83/568026783.db2.gz DCLNQNNDUGDOGI-UTKZUKDTSA-N 1 1 368.525 4.607 20 30 FJEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C2CC2)C2CCC(C)CC2)c1C ZINC000603856533 568168241 /nfs/dbraw/zinc/16/82/41/568168241.db2.gz ZQKLKSYTIAYVGJ-UHFFFAOYSA-N 1 1 367.537 4.593 20 30 FJEDMO C=CC[C@H](C)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000604883732 568384299 /nfs/dbraw/zinc/38/42/99/568384299.db2.gz VGIOFNINBZXRDP-AWEZNQCLSA-N 1 1 352.507 4.796 20 30 FJEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1csc(CCc3ccccc3)n1)CC2 ZINC000568071573 567835566 /nfs/dbraw/zinc/83/55/66/567835566.db2.gz LXLDLNBWMJELLK-OAQYLSRUSA-N 1 1 359.498 4.577 20 30 FJEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063750801 567983557 /nfs/dbraw/zinc/98/35/57/567983557.db2.gz JJTYFAAABIEPAR-UHFFFAOYSA-N 1 1 371.484 4.951 20 30 FJEDMO C=CCCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000522775579 568131558 /nfs/dbraw/zinc/13/15/58/568131558.db2.gz DQKUENJLUXWWST-UHFFFAOYSA-N 1 1 353.441 4.794 20 30 FJEDMO C=CCOc1ccc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1Cl ZINC000303211016 568258212 /nfs/dbraw/zinc/25/82/12/568258212.db2.gz RHYRVKXXWQCIEJ-OAQYLSRUSA-N 1 1 370.924 4.832 20 30 FJEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H]3c3ccncc3)c2)c1 ZINC000569968512 568444958 /nfs/dbraw/zinc/44/49/58/568444958.db2.gz ICOICZVEIBBIBJ-DEOSSOPVSA-N 1 1 369.468 4.869 20 30 FJEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H]3c3ccncc3)c2)c1 ZINC000569968513 568444982 /nfs/dbraw/zinc/44/49/82/568444982.db2.gz ICOICZVEIBBIBJ-XMMPIXPASA-N 1 1 369.468 4.869 20 30 FJEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000481673872 568085119 /nfs/dbraw/zinc/08/51/19/568085119.db2.gz UFMPPGHIGJREBL-HSZRJFAPSA-N 1 1 351.538 4.712 20 30 FJEDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000603684846 568135301 /nfs/dbraw/zinc/13/53/01/568135301.db2.gz BRQLZVDNSXPQAA-HXUWFJFHSA-N 1 1 363.505 4.552 20 30 FJEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(Cl)cc1 ZINC000302816650 568238396 /nfs/dbraw/zinc/23/83/96/568238396.db2.gz VBEYFJCYHINROJ-UHFFFAOYSA-N 1 1 365.864 4.523 20 30 FJEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(Cl)cc1 ZINC000302816650 568238397 /nfs/dbraw/zinc/23/83/97/568238397.db2.gz VBEYFJCYHINROJ-UHFFFAOYSA-N 1 1 365.864 4.523 20 30 FJEDMO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](CCC#N)c1ccc(OC)cc1)CCO2 ZINC000365234788 568343367 /nfs/dbraw/zinc/34/33/67/568343367.db2.gz QIXHINFPUHWVPI-NHCUHLMSSA-N 1 1 366.461 4.552 20 30 FJEDMO CC(C)[N@H+](Cc1nc2ccccc2n1C(F)F)Cc1ccc(C#N)cc1 ZINC000128234512 206124344 /nfs/dbraw/zinc/12/43/44/206124344.db2.gz WNBQMHBXIHXASC-UHFFFAOYSA-N 1 1 354.404 4.714 20 30 FJEDMO CC(C)[N@@H+](Cc1nc2ccccc2n1C(F)F)Cc1ccc(C#N)cc1 ZINC000128234512 206124347 /nfs/dbraw/zinc/12/43/47/206124347.db2.gz WNBQMHBXIHXASC-UHFFFAOYSA-N 1 1 354.404 4.714 20 30 FJEDMO Cc1ccc([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000063505280 567979869 /nfs/dbraw/zinc/97/98/69/567979869.db2.gz MMYNHYHCPRTTQT-OAHLLOKOSA-N 1 1 355.869 4.542 20 30 FJEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568573310 568058436 /nfs/dbraw/zinc/05/84/36/568058436.db2.gz XVVCDYPECSDTTP-GXFFZTMASA-N 1 1 350.306 4.740 20 30 FJEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568573310 568058437 /nfs/dbraw/zinc/05/84/37/568058437.db2.gz XVVCDYPECSDTTP-GXFFZTMASA-N 1 1 350.306 4.740 20 30 FJEDMO CC[C@H](C[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000481731354 568098424 /nfs/dbraw/zinc/09/84/24/568098424.db2.gz DZLUYVRRLYOYBQ-GOSISDBHSA-N 1 1 360.461 4.624 20 30 FJEDMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000603684845 568135314 /nfs/dbraw/zinc/13/53/14/568135314.db2.gz BRQLZVDNSXPQAA-FQEVSTJZSA-N 1 1 363.505 4.552 20 30 FJEDMO CC(C)COC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccco1 ZINC000481930507 568189715 /nfs/dbraw/zinc/18/97/15/568189715.db2.gz ZZSFWTPYRCYVCN-SFTDATJTSA-N 1 1 352.478 4.922 20 30 FJEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCC[C@@H]3c3cc[nH]n3)c2)c1 ZINC000569052546 568282291 /nfs/dbraw/zinc/28/22/91/568282291.db2.gz NRFKXYSVFABCNC-HSZRJFAPSA-N 1 1 372.472 4.588 20 30 FJEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCCC[C@@H]3c3cc[nH]n3)c2)c1 ZINC000569052546 568282293 /nfs/dbraw/zinc/28/22/93/568282293.db2.gz NRFKXYSVFABCNC-HSZRJFAPSA-N 1 1 372.472 4.588 20 30 FJEDMO CCCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccccc1 ZINC000604494853 568304274 /nfs/dbraw/zinc/30/42/74/568304274.db2.gz CGHQOHLPVCADFE-HXUWFJFHSA-N 1 1 363.505 4.797 20 30 FJEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000481673875 568085898 /nfs/dbraw/zinc/08/58/98/568085898.db2.gz UFMPPGHIGJREBL-QHCPKHFHSA-N 1 1 351.538 4.712 20 30 FJEDMO C=C(C[NH2+]Cc1csc(COc2ccc(OC)cc2)n1)c1ccccc1 ZINC000603511476 568110583 /nfs/dbraw/zinc/11/05/83/568110583.db2.gz BTITXDDFBAXEDH-UHFFFAOYSA-N 1 1 366.486 4.534 20 30 FJEDMO CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602766189 568026813 /nfs/dbraw/zinc/02/68/13/568026813.db2.gz DCLNQNNDUGDOGI-UWJYYQICSA-N 1 1 368.525 4.607 20 30 FJEDMO N#CCC[C@H](C#N)C[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000603842624 568155102 /nfs/dbraw/zinc/15/51/02/568155102.db2.gz GEDATLDTLBNKMT-GOSISDBHSA-N 1 1 363.427 4.794 20 30 FJEDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000603849715 568164374 /nfs/dbraw/zinc/16/43/74/568164374.db2.gz AVLNTPKDIJXKFX-HXUWFJFHSA-N 1 1 363.505 4.552 20 30 FJEDMO CCCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1ccc(C)o1 ZINC000604493654 568304054 /nfs/dbraw/zinc/30/40/54/568304054.db2.gz VOAAFSIZBLEDMP-IBGZPJMESA-N 1 1 367.493 4.698 20 30 FJEDMO CCCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1ccc(C)o1 ZINC000604493654 568304055 /nfs/dbraw/zinc/30/40/55/568304055.db2.gz VOAAFSIZBLEDMP-IBGZPJMESA-N 1 1 367.493 4.698 20 30 FJEDMO C=CC[C@@H](C)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000604883733 568384373 /nfs/dbraw/zinc/38/43/73/568384373.db2.gz VGIOFNINBZXRDP-CQSZACIVSA-N 1 1 352.507 4.796 20 30 FJEDMO CC(C)c1[nH+]ccn1Cc1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602488024 567985874 /nfs/dbraw/zinc/98/58/74/567985874.db2.gz REBHRBPTKHSZRQ-GOSISDBHSA-N 1 1 366.509 4.566 20 30 FJEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568573312 568058408 /nfs/dbraw/zinc/05/84/08/568058408.db2.gz XVVCDYPECSDTTP-ZWNOBZJWSA-N 1 1 350.306 4.740 20 30 FJEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568573312 568058409 /nfs/dbraw/zinc/05/84/09/568058409.db2.gz XVVCDYPECSDTTP-ZWNOBZJWSA-N 1 1 350.306 4.740 20 30 FJEDMO C[C@@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)c1ccc(C#N)cc1F ZINC000541905006 568208575 /nfs/dbraw/zinc/20/85/75/568208575.db2.gz IEWQTFXNPXNMBP-OAHLLOKOSA-N 1 1 353.441 4.655 20 30 FJEDMO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](CCC#N)c1ccc(OC)cc1)CCO2 ZINC000365234787 568343384 /nfs/dbraw/zinc/34/33/84/568343384.db2.gz QIXHINFPUHWVPI-LEWJYISDSA-N 1 1 366.461 4.552 20 30 FJEDMO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](CCC#N)c1ccc(OC)cc1)CCO2 ZINC000365234789 568343398 /nfs/dbraw/zinc/34/33/98/568343398.db2.gz QIXHINFPUHWVPI-RTWAWAEBSA-N 1 1 366.461 4.552 20 30 FJEDMO C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccc(C#N)cn1 ZINC000569351738 568395820 /nfs/dbraw/zinc/39/58/20/568395820.db2.gz MLXXQZVJCDKANU-UHFFFAOYSA-N 1 1 373.300 4.623 20 30 FJEDMO C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccc(C#N)cn1 ZINC000569351738 568395821 /nfs/dbraw/zinc/39/58/21/568395821.db2.gz MLXXQZVJCDKANU-UHFFFAOYSA-N 1 1 373.300 4.623 20 30 FJEDMO C=CCc1cc(C[NH2+]Cc2c(Cl)cccc2Cl)cc(OC)c1O ZINC000603513680 568111192 /nfs/dbraw/zinc/11/11/92/568111192.db2.gz VCTGRKTTXYUTCK-UHFFFAOYSA-N 1 1 352.261 4.726 20 30 FJEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCC[C@H]3c3cc[nH]n3)c2)c1 ZINC000569052549 568291386 /nfs/dbraw/zinc/29/13/86/568291386.db2.gz NRFKXYSVFABCNC-QHCPKHFHSA-N 1 1 372.472 4.588 20 30 FJEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)c2)c1 ZINC000569052549 568291387 /nfs/dbraw/zinc/29/13/87/568291387.db2.gz NRFKXYSVFABCNC-QHCPKHFHSA-N 1 1 372.472 4.588 20 30 FJEDMO CCCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000604494852 568304292 /nfs/dbraw/zinc/30/42/92/568304292.db2.gz CGHQOHLPVCADFE-FQEVSTJZSA-N 1 1 363.505 4.797 20 30 FJEDMO N#Cc1cccc(C2([NH2+][C@H]3CCc4c3c(Br)ccc4F)CC2)c1 ZINC000570063660 568443219 /nfs/dbraw/zinc/44/32/19/568443219.db2.gz YOWQXRWCTQKZNC-KRWDZBQOSA-N 1 1 371.253 4.726 20 30 FJEDMO C=CCCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000605150807 568587702 /nfs/dbraw/zinc/58/77/02/568587702.db2.gz GXGSWCYUWYJHBP-UHFFFAOYSA-N 1 1 353.441 4.794 20 30 FJEDMO COc1cccc(-c2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)co2)c1 ZINC000602838635 568050774 /nfs/dbraw/zinc/05/07/74/568050774.db2.gz GOJLOESEYQFHJH-OAQYLSRUSA-N 1 1 361.445 4.875 20 30 FJEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000065959804 568063838 /nfs/dbraw/zinc/06/38/38/568063838.db2.gz XJAYHBALQPUTRD-UHFFFAOYSA-N 1 1 356.897 4.626 20 30 FJEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000065959804 568063839 /nfs/dbraw/zinc/06/38/39/568063839.db2.gz XJAYHBALQPUTRD-UHFFFAOYSA-N 1 1 356.897 4.626 20 30 FJEDMO C=C(C[NH2+]Cc1csc(COc2ccc(C)cc2)n1)c1ccccc1 ZINC000603511540 568110658 /nfs/dbraw/zinc/11/06/58/568110658.db2.gz JGIVUDKJSSXPDD-UHFFFAOYSA-N 1 1 350.487 4.834 20 30 FJEDMO CC(C)COC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccco1 ZINC000481930504 568189697 /nfs/dbraw/zinc/18/96/97/568189697.db2.gz ZZSFWTPYRCYVCN-LEWJYISDSA-N 1 1 352.478 4.922 20 30 FJEDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)ccc1C#N ZINC000569190867 568307010 /nfs/dbraw/zinc/30/70/10/568307010.db2.gz MGSJNIYIDDFRDX-QGZVFWFLSA-N 1 1 363.486 4.556 20 30 FJEDMO N#Cc1ccc(F)c(C[N@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000026446908 568161403 /nfs/dbraw/zinc/16/14/03/568161403.db2.gz PDKJOGSDQPNJAK-UHFFFAOYSA-N 1 1 359.242 4.624 20 30 FJEDMO N#Cc1ccc(F)c(C[N@@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000026446908 568161404 /nfs/dbraw/zinc/16/14/04/568161404.db2.gz PDKJOGSDQPNJAK-UHFFFAOYSA-N 1 1 359.242 4.624 20 30 FJEDMO COc1ccc(-c2ccncc2)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000481906246 568178144 /nfs/dbraw/zinc/17/81/44/568178144.db2.gz RVLQCTIWRDEPLQ-UHFFFAOYSA-N 1 1 369.468 4.793 20 30 FJEDMO COc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)ccc1C#N ZINC000569190866 568306943 /nfs/dbraw/zinc/30/69/43/568306943.db2.gz MGSJNIYIDDFRDX-KRWDZBQOSA-N 1 1 363.486 4.556 20 30 FJEDMO N#CCCC[C@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1 ZINC000602669417 568014390 /nfs/dbraw/zinc/01/43/90/568014390.db2.gz IQMUXXFHFNMHGQ-NRFANRHFSA-N 1 1 371.488 4.669 20 30 FJEDMO N#Cc1csc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCCCC2)n1 ZINC000569055159 568292603 /nfs/dbraw/zinc/29/26/03/568292603.db2.gz CYWJFYMPUQBRAK-UHFFFAOYSA-N 1 1 365.424 4.983 20 30 FJEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000007444456 568511675 /nfs/dbraw/zinc/51/16/75/568511675.db2.gz RREWUONFWWMEFZ-UHFFFAOYSA-N 1 1 360.910 4.689 20 30 FJEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000007444456 568511676 /nfs/dbraw/zinc/51/16/76/568511676.db2.gz RREWUONFWWMEFZ-UHFFFAOYSA-N 1 1 360.910 4.689 20 30 FJEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000109103381 209298225 /nfs/dbraw/zinc/29/82/25/209298225.db2.gz HLQJBSJTTIQOCG-QHCPKHFHSA-N 1 1 369.468 4.877 20 30 FJEDMO COc1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)ccc1C#N ZINC000568144348 567938996 /nfs/dbraw/zinc/93/89/96/567938996.db2.gz FWKRCTGDFVXGEA-UHFFFAOYSA-N 1 1 354.759 4.529 20 30 FJEDMO CC(C)COC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccco1 ZINC000481930505 568189700 /nfs/dbraw/zinc/18/97/00/568189700.db2.gz ZZSFWTPYRCYVCN-NHCUHLMSSA-N 1 1 352.478 4.922 20 30 FJEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccncc2)cc1 ZINC000604512516 568306538 /nfs/dbraw/zinc/30/65/38/568306538.db2.gz QGTVJWSUPYFJHK-UHFFFAOYSA-N 1 1 371.484 4.943 20 30 FJEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000570763049 568520525 /nfs/dbraw/zinc/52/05/25/568520525.db2.gz HAWXMFZXBITVEV-HXUWFJFHSA-N 1 1 352.434 4.647 20 30 FJEDMO CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602766187 568026848 /nfs/dbraw/zinc/02/68/48/568026848.db2.gz DCLNQNNDUGDOGI-LAUBAEHRSA-N 1 1 368.525 4.607 20 30 FJEDMO C=CC[N@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1ccccc1F ZINC000065951229 568063776 /nfs/dbraw/zinc/06/37/76/568063776.db2.gz XEYGHKBYCJXROK-UHFFFAOYSA-N 1 1 362.448 4.988 20 30 FJEDMO C=CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1ccccc1F ZINC000065951229 568063777 /nfs/dbraw/zinc/06/37/77/568063777.db2.gz XEYGHKBYCJXROK-UHFFFAOYSA-N 1 1 362.448 4.988 20 30 FJEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000603842629 568155098 /nfs/dbraw/zinc/15/50/98/568155098.db2.gz GEDATLDTLBNKMT-SFHVURJKSA-N 1 1 363.427 4.794 20 30 FJEDMO C[C@@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1Cl ZINC000570506322 568489683 /nfs/dbraw/zinc/48/96/83/568489683.db2.gz CHVLFJAQMUHEIS-PIGZYNQJSA-N 1 1 368.786 4.615 20 30 FJEDMO