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](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969705326 770693371 /nfs/dbraw/zinc/69/33/71/770693371.db2.gz WKRZMUZJLMCJJG-HBUWYVDXSA-N 2 2 358.461 1.974 20 30 FDEDLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969705326 770693384 /nfs/dbraw/zinc/69/33/84/770693384.db2.gz WKRZMUZJLMCJJG-HBUWYVDXSA-N 2 2 358.461 1.974 20 30 FDEDLP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969959768 771121594 /nfs/dbraw/zinc/12/15/94/771121594.db2.gz WOYMNDAZSXAMJJ-ZRGWGRIASA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969959768 771121603 /nfs/dbraw/zinc/12/16/03/771121603.db2.gz WOYMNDAZSXAMJJ-ZRGWGRIASA-N 2 2 356.470 1.214 20 30 FDEDLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21)[NH+](C)C ZINC001083195718 771417103 /nfs/dbraw/zinc/41/71/03/771417103.db2.gz KWAWCCNSCZSHPI-GBESFXJTSA-N 2 2 356.470 1.310 20 30 FDEDLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000328946447 779442726 /nfs/dbraw/zinc/44/27/26/779442726.db2.gz VKKFEBPHYQAAPY-SFHVURJKSA-N 2 2 360.502 1.875 20 30 FDEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328946447 779442737 /nfs/dbraw/zinc/44/27/37/779442737.db2.gz VKKFEBPHYQAAPY-SFHVURJKSA-N 2 2 360.502 1.875 20 30 FDEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328946447 779442743 /nfs/dbraw/zinc/44/27/43/779442743.db2.gz VKKFEBPHYQAAPY-SFHVURJKSA-N 2 2 360.502 1.875 20 30 FDEDLP CC(C)[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329006022 780344630 /nfs/dbraw/zinc/34/46/30/780344630.db2.gz MVRFQWTXLUSXJA-NUJGCVRESA-N 2 2 368.522 1.241 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)[N@H+](C)C1 ZINC000329008343 780386371 /nfs/dbraw/zinc/38/63/71/780386371.db2.gz ZPBVOPGVNDJWKN-OKYOBFRVSA-N 2 2 361.486 1.545 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)[N@@H+](C)C1 ZINC000329008343 780386385 /nfs/dbraw/zinc/38/63/85/780386385.db2.gz ZPBVOPGVNDJWKN-OKYOBFRVSA-N 2 2 361.486 1.545 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)[NH+](C)C1 ZINC000329008343 780386394 /nfs/dbraw/zinc/38/63/94/780386394.db2.gz ZPBVOPGVNDJWKN-OKYOBFRVSA-N 2 2 361.486 1.545 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)[NH+](C)C1 ZINC000329008343 780386403 /nfs/dbraw/zinc/38/64/03/780386403.db2.gz ZPBVOPGVNDJWKN-OKYOBFRVSA-N 2 2 361.486 1.545 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001027965443 807126258 /nfs/dbraw/zinc/12/62/58/807126258.db2.gz CESIMDMCWLEBHM-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001027965443 807126261 /nfs/dbraw/zinc/12/62/61/807126261.db2.gz CESIMDMCWLEBHM-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)O1 ZINC001027965443 807126266 /nfs/dbraw/zinc/12/62/66/807126266.db2.gz CESIMDMCWLEBHM-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)O1 ZINC001027965443 807126269 /nfs/dbraw/zinc/12/62/69/807126269.db2.gz CESIMDMCWLEBHM-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001087456417 810099006 /nfs/dbraw/zinc/09/90/06/810099006.db2.gz VWSJXAKQSDYBDP-HUYLIWGRSA-N 2 2 373.472 1.452 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001087456417 810099008 /nfs/dbraw/zinc/09/90/08/810099008.db2.gz VWSJXAKQSDYBDP-HUYLIWGRSA-N 2 2 373.472 1.452 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001087456417 810099010 /nfs/dbraw/zinc/09/90/10/810099010.db2.gz VWSJXAKQSDYBDP-HUYLIWGRSA-N 2 2 373.472 1.452 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001087456417 810099011 /nfs/dbraw/zinc/09/90/11/810099011.db2.gz VWSJXAKQSDYBDP-HUYLIWGRSA-N 2 2 373.472 1.452 20 30 FDEDLP C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261963418 811355329 /nfs/dbraw/zinc/35/53/29/811355329.db2.gz KVGKBIFXIMLLBK-CABCVRRESA-N 2 2 356.478 1.469 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000262004605 811365520 /nfs/dbraw/zinc/36/55/20/811365520.db2.gz VHHLSTQTUWSHOQ-HNNXBMFYSA-N 2 2 357.462 1.110 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C)c3[nH+]cccc32)C1 ZINC000328864061 819570638 /nfs/dbraw/zinc/57/06/38/819570638.db2.gz BIDLVROIFFIOLU-MRXNPFEDSA-N 2 2 361.490 1.651 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C)c3[nH+]cccc32)C1 ZINC000328864061 819570641 /nfs/dbraw/zinc/57/06/41/819570641.db2.gz BIDLVROIFFIOLU-MRXNPFEDSA-N 2 2 361.490 1.651 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000521412310 821247472 /nfs/dbraw/zinc/24/74/72/821247472.db2.gz ZTXBCUJNDBTKRR-INIZCTEOSA-N 2 2 363.412 1.383 20 30 FDEDLP C[C@@H]1C[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000330145110 825673926 /nfs/dbraw/zinc/67/39/26/825673926.db2.gz HENHGMGOVHNTTM-IAGOWNOFSA-N 2 2 373.501 1.950 20 30 FDEDLP C[C@@H]1C[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000330145110 825673935 /nfs/dbraw/zinc/67/39/35/825673935.db2.gz HENHGMGOVHNTTM-IAGOWNOFSA-N 2 2 373.501 1.950 20 30 FDEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330238108 825750323 /nfs/dbraw/zinc/75/03/23/825750323.db2.gz VAAWJTYXYNVRPG-SJORKVTESA-N 2 2 361.490 1.881 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)c(F)c1 ZINC001088121177 826486206 /nfs/dbraw/zinc/48/62/06/826486206.db2.gz SAVXBMIHCYNKSM-WBVHZDCISA-N 2 2 367.428 1.943 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)c(F)c1 ZINC001088121177 826486214 /nfs/dbraw/zinc/48/62/14/826486214.db2.gz SAVXBMIHCYNKSM-WBVHZDCISA-N 2 2 367.428 1.943 20 30 FDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399090 829382740 /nfs/dbraw/zinc/38/27/40/829382740.db2.gz JGAPCXABTLIIAT-QGZVFWFLSA-N 2 2 353.466 1.950 20 30 FDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399090 829382751 /nfs/dbraw/zinc/38/27/51/829382751.db2.gz JGAPCXABTLIIAT-QGZVFWFLSA-N 2 2 353.466 1.950 20 30 FDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399090 829382754 /nfs/dbraw/zinc/38/27/54/829382754.db2.gz JGAPCXABTLIIAT-QGZVFWFLSA-N 2 2 353.466 1.950 20 30 FDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399090 829382765 /nfs/dbraw/zinc/38/27/65/829382765.db2.gz JGAPCXABTLIIAT-QGZVFWFLSA-N 2 2 353.466 1.950 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)[C@H]2C)cc1C#N ZINC001088494076 831773156 /nfs/dbraw/zinc/77/31/56/831773156.db2.gz KIALJSGDGNYTSU-FHLIZLRMSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)[C@H]2C)cc1C#N ZINC001088494076 831773161 /nfs/dbraw/zinc/77/31/61/831773161.db2.gz KIALJSGDGNYTSU-FHLIZLRMSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C)cc1C#N ZINC001088494076 831773166 /nfs/dbraw/zinc/77/31/66/831773166.db2.gz KIALJSGDGNYTSU-FHLIZLRMSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)cc1C#N ZINC001088494076 831773169 /nfs/dbraw/zinc/77/31/69/831773169.db2.gz KIALJSGDGNYTSU-FHLIZLRMSA-N 2 2 356.470 1.740 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105669635 844259871 /nfs/dbraw/zinc/25/98/71/844259871.db2.gz UCDMMNKTARQIDO-IZBJGVDFSA-N 2 2 358.486 1.250 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105646841 842400072 /nfs/dbraw/zinc/40/00/72/842400072.db2.gz MHOUVHZMUDHUQK-IZBJGVDFSA-N 2 2 360.502 1.815 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105661055 842651479 /nfs/dbraw/zinc/65/14/79/842651479.db2.gz DABGTFMZQUGPLL-YAJHFMINSA-N 2 2 360.502 1.885 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2CC)C[C@@H]1O ZINC001083535334 846902484 /nfs/dbraw/zinc/90/24/84/846902484.db2.gz LRKIGFXOGOVMGG-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2CC)C[C@@H]1O ZINC001083535334 846902488 /nfs/dbraw/zinc/90/24/88/846902488.db2.gz LRKIGFXOGOVMGG-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2CC)C[C@@H]1O ZINC001083535334 846902491 /nfs/dbraw/zinc/90/24/91/846902491.db2.gz LRKIGFXOGOVMGG-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2CC)C[C@@H]1O ZINC001083535334 846902494 /nfs/dbraw/zinc/90/24/94/846902494.db2.gz LRKIGFXOGOVMGG-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076594056 848518245 /nfs/dbraw/zinc/51/82/45/848518245.db2.gz FFBWCXTXYRFMII-ZCNNSNEGSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076594056 848518254 /nfs/dbraw/zinc/51/82/54/848518254.db2.gz FFBWCXTXYRFMII-ZCNNSNEGSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076594056 848518258 /nfs/dbraw/zinc/51/82/58/848518258.db2.gz FFBWCXTXYRFMII-ZCNNSNEGSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076594056 848518265 /nfs/dbraw/zinc/51/82/65/848518265.db2.gz FFBWCXTXYRFMII-ZCNNSNEGSA-N 2 2 368.481 1.312 20 30 FDEDLP C=CCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001105714327 862539387 /nfs/dbraw/zinc/53/93/87/862539387.db2.gz UONZEQNCJVTWMZ-VQIMIIECSA-N 2 2 365.518 1.364 20 30 FDEDLP C=CCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001105714327 862539391 /nfs/dbraw/zinc/53/93/91/862539391.db2.gz UONZEQNCJVTWMZ-VQIMIIECSA-N 2 2 365.518 1.364 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001089052917 866321025 /nfs/dbraw/zinc/32/10/25/866321025.db2.gz DIIUPZOOKSYWAV-HOJAQTOUSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001089052917 866321046 /nfs/dbraw/zinc/32/10/46/866321046.db2.gz DIIUPZOOKSYWAV-HOJAQTOUSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001089052917 866321067 /nfs/dbraw/zinc/32/10/67/866321067.db2.gz DIIUPZOOKSYWAV-HOJAQTOUSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001089052917 866321084 /nfs/dbraw/zinc/32/10/84/866321084.db2.gz DIIUPZOOKSYWAV-HOJAQTOUSA-N 2 2 355.482 1.338 20 30 FDEDLP C#CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC000913994562 870272021 /nfs/dbraw/zinc/27/20/21/870272021.db2.gz LSHHRCSUVJBSDK-UHFFFAOYSA-N 2 2 355.486 1.921 20 30 FDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001106143529 871370841 /nfs/dbraw/zinc/37/08/41/871370841.db2.gz DWRGLUKWGHWMCA-NCXUSEDFSA-N 2 2 354.498 1.861 20 30 FDEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000917458029 883447577 /nfs/dbraw/zinc/44/75/77/883447577.db2.gz PNHPZUNUEJOVCS-UHFFFAOYSA-N 2 2 369.469 1.744 20 30 FDEDLP CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000917458029 883447585 /nfs/dbraw/zinc/44/75/85/883447585.db2.gz PNHPZUNUEJOVCS-UHFFFAOYSA-N 2 2 369.469 1.744 20 30 FDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054883 885588017 /nfs/dbraw/zinc/58/80/17/885588017.db2.gz OENKIZKVUKGOMM-KURKYZTESA-N 2 2 371.489 1.680 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054883 885588024 /nfs/dbraw/zinc/58/80/24/885588024.db2.gz OENKIZKVUKGOMM-KURKYZTESA-N 2 2 371.489 1.680 20 30 FDEDLP C#CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CC[NH+](C)CC1 ZINC000921175483 887482096 /nfs/dbraw/zinc/48/20/96/887482096.db2.gz YSOWBUSERPWFSN-UHFFFAOYSA-N 2 2 353.470 1.924 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000672355266 893215043 /nfs/dbraw/zinc/21/50/43/893215043.db2.gz SPULAXDLLOWYCW-GOSISDBHSA-N 2 2 356.470 1.056 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000672355266 893215067 /nfs/dbraw/zinc/21/50/67/893215067.db2.gz SPULAXDLLOWYCW-GOSISDBHSA-N 2 2 356.470 1.056 20 30 FDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001107077902 900563623 /nfs/dbraw/zinc/56/36/23/900563623.db2.gz RPAVUONJDFPZBB-SJLPKXTDSA-N 2 2 354.429 1.758 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1ccccc1F ZINC001079300574 902346805 /nfs/dbraw/zinc/34/68/05/902346805.db2.gz OSVANWGIOQXBRL-QFBILLFUSA-N 2 2 370.428 1.706 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1F ZINC001079304082 902361018 /nfs/dbraw/zinc/36/10/18/902361018.db2.gz QOAZXCMCMVYYIC-FUHWJXTLSA-N 2 2 354.429 1.709 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710495 903120338 /nfs/dbraw/zinc/12/03/38/903120338.db2.gz KKHRAZWOSBKTPR-VOBQZIQPSA-N 2 2 370.472 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710495 903120345 /nfs/dbraw/zinc/12/03/45/903120345.db2.gz KKHRAZWOSBKTPR-VOBQZIQPSA-N 2 2 370.472 1.976 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]2C)CC1 ZINC001080997741 906972283 /nfs/dbraw/zinc/97/22/83/906972283.db2.gz JYNGPFJOPGVDFK-VQIMIIECSA-N 2 2 357.502 1.185 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(CC)n3)C[C@H]2C)CC1 ZINC001080997741 906972287 /nfs/dbraw/zinc/97/22/87/906972287.db2.gz JYNGPFJOPGVDFK-VQIMIIECSA-N 2 2 357.502 1.185 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082603262 908913736 /nfs/dbraw/zinc/91/37/36/908913736.db2.gz RHNWLNHXAAKOBK-ATZDWAIDSA-N 2 2 363.465 1.954 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001083089363 911965632 /nfs/dbraw/zinc/96/56/32/911965632.db2.gz CXGMOSUAPCBDGL-ZWKOTPCHSA-N 2 2 358.486 1.640 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001083089363 911965636 /nfs/dbraw/zinc/96/56/36/911965636.db2.gz CXGMOSUAPCBDGL-ZWKOTPCHSA-N 2 2 358.486 1.640 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000732056624 918968160 /nfs/dbraw/zinc/96/81/60/918968160.db2.gz WQDSIUFANUSUOS-IBGZPJMESA-N 2 2 370.497 1.794 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000732056624 918968165 /nfs/dbraw/zinc/96/81/65/918968165.db2.gz WQDSIUFANUSUOS-IBGZPJMESA-N 2 2 370.497 1.794 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000742287991 926000313 /nfs/dbraw/zinc/00/03/13/926000313.db2.gz NNTKOFCXVSVHJV-UHFFFAOYSA-N 2 2 368.481 1.358 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109917551 930731773 /nfs/dbraw/zinc/73/17/73/930731773.db2.gz ZDLHZAJMDXEROR-SQNIBIBYSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109917551 930731777 /nfs/dbraw/zinc/73/17/77/930731777.db2.gz ZDLHZAJMDXEROR-SQNIBIBYSA-N 2 2 362.518 1.131 20 30 FDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)C2 ZINC001112586500 931776834 /nfs/dbraw/zinc/77/68/34/931776834.db2.gz CJGUKOGZPIOYAW-ZVDOUQERSA-N 2 2 354.498 1.926 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086596613 933936806 /nfs/dbraw/zinc/93/68/06/933936806.db2.gz KOXCFWNHPSZOMY-AZUAARDMSA-N 2 2 366.465 1.957 20 30 FDEDLP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086596613 933936808 /nfs/dbraw/zinc/93/68/08/933936808.db2.gz KOXCFWNHPSZOMY-AZUAARDMSA-N 2 2 366.465 1.957 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941054 938566441 /nfs/dbraw/zinc/56/64/41/938566441.db2.gz HNNHDZLIWAIGQQ-BBWFWOEESA-N 2 2 371.489 1.341 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129918924 938567522 /nfs/dbraw/zinc/56/75/22/938567522.db2.gz MFTMLKUQFYAFDB-BBWFWOEESA-N 2 2 369.473 1.045 20 30 FDEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151030 938715704 /nfs/dbraw/zinc/71/57/04/938715704.db2.gz GKIIQOCBPWPAGX-SJORKVTESA-N 2 2 359.478 1.487 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130712957 939999885 /nfs/dbraw/zinc/99/98/85/939999885.db2.gz UVWFCSUNYWNZKL-GOEBONIOSA-N 2 2 354.458 1.028 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cncn1C ZINC001131017597 940438263 /nfs/dbraw/zinc/43/82/63/940438263.db2.gz CBXXVLDCTAHCMX-CRAIPNDOSA-N 2 2 362.437 1.518 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117601 940504463 /nfs/dbraw/zinc/50/44/63/940504463.db2.gz GTDNKCFXZVIGAW-NVXWUHKLSA-N 2 2 356.474 1.545 20 30 FDEDLP C#CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000808304749 940539411 /nfs/dbraw/zinc/53/94/11/940539411.db2.gz QYXLFSJHMBCCQB-ROUUACIJSA-N 2 2 355.548 1.609 20 30 FDEDLP C#CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000808304749 940539412 /nfs/dbraw/zinc/53/94/12/940539412.db2.gz QYXLFSJHMBCCQB-ROUUACIJSA-N 2 2 355.548 1.609 20 30 FDEDLP COc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000824820124 946791359 /nfs/dbraw/zinc/79/13/59/946791359.db2.gz ZYKPOWXQWAIYQZ-UHFFFAOYSA-N 2 2 356.470 1.855 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nccc(C)n3)C[C@@]2(C)C1 ZINC001091748615 952794397 /nfs/dbraw/zinc/79/43/97/952794397.db2.gz PVXUGRABVYEORJ-LQWHRVPQSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nccc(C)n3)C[C@@]2(C)C1 ZINC001091748615 952794402 /nfs/dbraw/zinc/79/44/02/952794402.db2.gz PVXUGRABVYEORJ-LQWHRVPQSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nccc(C)n3)C[C@@]2(C)C1 ZINC001091748615 952794406 /nfs/dbraw/zinc/79/44/06/952794406.db2.gz PVXUGRABVYEORJ-LQWHRVPQSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nccc(C)n3)C[C@@]2(C)C1 ZINC001091748615 952794409 /nfs/dbraw/zinc/79/44/09/952794409.db2.gz PVXUGRABVYEORJ-LQWHRVPQSA-N 2 2 367.497 1.163 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC001086987172 953009134 /nfs/dbraw/zinc/00/91/34/953009134.db2.gz CUIKGWHSUQOVGV-DLBZAZTESA-N 2 2 364.453 1.842 20 30 FDEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001196926356 971973976 /nfs/dbraw/zinc/97/39/76/971973976.db2.gz XAZBZRMEYNQYEO-RTBURBONSA-N 2 2 367.453 1.205 20 30 FDEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001196926356 971973978 /nfs/dbraw/zinc/97/39/78/971973978.db2.gz XAZBZRMEYNQYEO-RTBURBONSA-N 2 2 367.453 1.205 20 30 FDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092296499 954908355 /nfs/dbraw/zinc/90/83/55/954908355.db2.gz IYUOAHPVWOIZBP-XLIONFOSSA-N 2 2 357.523 1.910 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092296499 954908362 /nfs/dbraw/zinc/90/83/62/954908362.db2.gz IYUOAHPVWOIZBP-XLIONFOSSA-N 2 2 357.523 1.910 20 30 FDEDLP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092296499 954908368 /nfs/dbraw/zinc/90/83/68/954908368.db2.gz IYUOAHPVWOIZBP-XLIONFOSSA-N 2 2 357.523 1.910 20 30 FDEDLP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092296499 954908371 /nfs/dbraw/zinc/90/83/71/954908371.db2.gz IYUOAHPVWOIZBP-XLIONFOSSA-N 2 2 357.523 1.910 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093466119 958208166 /nfs/dbraw/zinc/20/81/66/958208166.db2.gz LNQGYVUSCAFMPE-AHCXZYCDSA-N 2 2 366.893 1.671 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccn(C)n1)CC2 ZINC001094436711 960479268 /nfs/dbraw/zinc/47/92/68/960479268.db2.gz FGVUJVRBRRFUJE-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccn(C)n1)CC2 ZINC001094436711 960479278 /nfs/dbraw/zinc/47/92/78/960479278.db2.gz FGVUJVRBRRFUJE-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccn(C)n1)CC2 ZINC001094436711 960479283 /nfs/dbraw/zinc/47/92/83/960479283.db2.gz FGVUJVRBRRFUJE-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccn(C)n1)CC2 ZINC001094436711 960479287 /nfs/dbraw/zinc/47/92/87/960479287.db2.gz FGVUJVRBRRFUJE-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158867 960685826 /nfs/dbraw/zinc/68/58/26/960685826.db2.gz WVSDFNPTZUPKPG-FYQPLNBISA-N 2 2 361.530 1.868 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158867 960685835 /nfs/dbraw/zinc/68/58/35/960685835.db2.gz WVSDFNPTZUPKPG-FYQPLNBISA-N 2 2 361.530 1.868 20 30 FDEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171879238 961357170 /nfs/dbraw/zinc/35/71/70/961357170.db2.gz RNTVLLUVQIUCGT-OTWHNJEPSA-N 2 2 367.534 1.707 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001184469572 963630011 /nfs/dbraw/zinc/63/00/11/963630011.db2.gz IOHLBPQITQQNTF-KURKYZTESA-N 2 2 351.491 1.023 20 30 FDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC12CCOCC2 ZINC001186402106 964474366 /nfs/dbraw/zinc/47/43/66/964474366.db2.gz FWOZWJFHPSPJPH-BRWVUGGUSA-N 2 2 356.470 1.381 20 30 FDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC12CCOCC2 ZINC001186402106 964474376 /nfs/dbraw/zinc/47/43/76/964474376.db2.gz FWOZWJFHPSPJPH-BRWVUGGUSA-N 2 2 356.470 1.381 20 30 FDEDLP CC(C)(C)OC(=O)N1CCN2C(NCCCNc3cccc[nH+]3)=[NH+]C[C@H]2C1 ZINC000133886632 982948745 /nfs/dbraw/zinc/94/87/45/982948745.db2.gz CIWVVWVWYZKWNA-HNNXBMFYSA-N 2 2 374.489 1.764 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(-n3cc[nH+]c3)c(F)c1)C2 ZINC000884200573 982976341 /nfs/dbraw/zinc/97/63/41/982976341.db2.gz FUBVXQVYYKLNKY-XAUUPUKJSA-N 2 2 353.401 1.767 20 30 FDEDLP C#CC[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000886355405 986094990 /nfs/dbraw/zinc/09/49/90/986094990.db2.gz HZOBZPIONLWUNF-SFHVURJKSA-N 2 2 355.482 1.480 20 30 FDEDLP C#CC[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000886355405 986095003 /nfs/dbraw/zinc/09/50/03/986095003.db2.gz HZOBZPIONLWUNF-SFHVURJKSA-N 2 2 355.482 1.480 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000366126047 988440249 /nfs/dbraw/zinc/44/02/49/988440249.db2.gz LUJSBHAGLQCBLP-MRXNPFEDSA-N 2 2 355.438 1.052 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000366126047 988440258 /nfs/dbraw/zinc/44/02/58/988440258.db2.gz LUJSBHAGLQCBLP-MRXNPFEDSA-N 2 2 355.438 1.052 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000296060144 988938393 /nfs/dbraw/zinc/93/83/93/988938393.db2.gz BWPSYMFMQUWFCT-UHFFFAOYSA-N 2 2 358.486 1.273 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000296060144 988938395 /nfs/dbraw/zinc/93/83/95/988938395.db2.gz BWPSYMFMQUWFCT-UHFFFAOYSA-N 2 2 358.486 1.273 20 30 FDEDLP Cc1cccc(NC2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)[nH+]1 ZINC000363230465 989016221 /nfs/dbraw/zinc/01/62/21/989016221.db2.gz HUXBSEKRKMDQCC-UHFFFAOYSA-N 2 2 354.458 1.922 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000876734829 992849813 /nfs/dbraw/zinc/84/98/13/992849813.db2.gz KEDDCJFWXOXMMQ-HNNXBMFYSA-N 2 2 350.850 1.483 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000876782309 992909038 /nfs/dbraw/zinc/90/90/38/992909038.db2.gz VQWSKYFTUULUAC-SFHVURJKSA-N 2 2 364.921 1.910 20 30 FDEDLP N#CC1(CCC[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCOCC1 ZINC000880254415 995759668 /nfs/dbraw/zinc/75/96/68/995759668.db2.gz WJMVEIGWFSIZRL-UHFFFAOYSA-N 2 2 362.518 1.893 20 30 FDEDLP C[NH+]=C(NCc1ccco1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000264081377 997398750 /nfs/dbraw/zinc/39/87/50/997398750.db2.gz UOSITTRLLPFPFP-UHFFFAOYSA-N 2 2 372.469 1.856 20 30 FDEDLP CN(C(=O)Cc1ccccc1CC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000777399351 999061188 /nfs/dbraw/zinc/06/11/88/999061188.db2.gz NOHBJLMWBLXKTC-FQEVSTJZSA-N 2 2 354.498 1.922 20 30 FDEDLP CN(C(=O)Cc1ccccc1CC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000777399351 999061193 /nfs/dbraw/zinc/06/11/93/999061193.db2.gz NOHBJLMWBLXKTC-FQEVSTJZSA-N 2 2 354.498 1.922 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)c1 ZINC001111150849 1006471168 /nfs/dbraw/zinc/47/11/68/1006471168.db2.gz VGMXHSDSJMDBCO-AQNXPRMDSA-N 2 2 368.481 1.502 20 30 FDEDLP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)c1 ZINC001111150849 1006471173 /nfs/dbraw/zinc/47/11/73/1006471173.db2.gz VGMXHSDSJMDBCO-AQNXPRMDSA-N 2 2 368.481 1.502 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000507762014 538922961 /nfs/dbraw/zinc/92/29/61/538922961.db2.gz ZNRMQIGRNIIASD-QGZVFWFLSA-N 2 2 352.523 1.286 20 30 FDEDLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCSCC1 ZINC000269698112 180364457 /nfs/dbraw/zinc/36/44/57/180364457.db2.gz QDEQBWCAIVINGH-MRXNPFEDSA-N 2 2 358.511 1.640 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000141606379 173376537 /nfs/dbraw/zinc/37/65/37/173376537.db2.gz ZWDGIQNOQNVANC-GOSISDBHSA-N 2 2 369.469 1.125 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000141606379 173376538 /nfs/dbraw/zinc/37/65/38/173376538.db2.gz ZWDGIQNOQNVANC-GOSISDBHSA-N 2 2 369.469 1.125 20 30 FDEDLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cc1C#N ZINC000174262661 258322298 /nfs/dbraw/zinc/32/22/98/258322298.db2.gz WRKJHWKXJMDPHQ-UHFFFAOYSA-N 2 2 366.469 1.659 20 30 FDEDLP C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1C#N ZINC000559928500 544845084 /nfs/dbraw/zinc/84/50/84/544845084.db2.gz APZFDVQFCFRVPE-UHFFFAOYSA-N 2 2 363.425 1.930 20 30 FDEDLP C[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000332065442 259238521 /nfs/dbraw/zinc/23/85/21/259238521.db2.gz ROSVSKRZTSKYHN-INIZCTEOSA-N 2 2 355.486 1.597 20 30 FDEDLP C[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000332065442 259238522 /nfs/dbraw/zinc/23/85/22/259238522.db2.gz ROSVSKRZTSKYHN-INIZCTEOSA-N 2 2 355.486 1.597 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000377617638 261837403 /nfs/dbraw/zinc/83/74/03/261837403.db2.gz AVGXEPJVFHTXSA-GOSISDBHSA-N 2 2 352.486 1.665 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000377617638 261837405 /nfs/dbraw/zinc/83/74/05/261837405.db2.gz AVGXEPJVFHTXSA-GOSISDBHSA-N 2 2 352.486 1.665 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000046528044 522317016 /nfs/dbraw/zinc/31/70/16/522317016.db2.gz USRKKYKVGDYHSD-IBGZPJMESA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000046528044 522317030 /nfs/dbraw/zinc/31/70/30/522317030.db2.gz USRKKYKVGDYHSD-IBGZPJMESA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000046528044 522317039 /nfs/dbraw/zinc/31/70/39/522317039.db2.gz USRKKYKVGDYHSD-IBGZPJMESA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000046528044 522317050 /nfs/dbraw/zinc/31/70/50/522317050.db2.gz USRKKYKVGDYHSD-IBGZPJMESA-N 2 2 358.486 1.463 20 30 FDEDLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C([O-])=[NH+]CCn1cc[nH+]c1 ZINC000328625038 523041637 /nfs/dbraw/zinc/04/16/37/523041637.db2.gz KHKWDMLEGASNPX-DOTOQJQBSA-N 2 2 359.478 1.546 20 30 FDEDLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C([O-])=[NH+]CCn1cc[nH+]c1 ZINC000328625038 523041650 /nfs/dbraw/zinc/04/16/50/523041650.db2.gz KHKWDMLEGASNPX-DOTOQJQBSA-N 2 2 359.478 1.546 20 30 FDEDLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCCn1cc[nH+]c1 ZINC000328625038 523041662 /nfs/dbraw/zinc/04/16/62/523041662.db2.gz KHKWDMLEGASNPX-DOTOQJQBSA-N 2 2 359.478 1.546 20 30 FDEDLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCCn1cc[nH+]c1 ZINC000328625038 523041672 /nfs/dbraw/zinc/04/16/72/523041672.db2.gz KHKWDMLEGASNPX-DOTOQJQBSA-N 2 2 359.478 1.546 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486318 524598801 /nfs/dbraw/zinc/59/88/01/524598801.db2.gz OYFWAKJBMGYRAC-IBGZPJMESA-N 2 2 356.470 1.313 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486318 524598812 /nfs/dbraw/zinc/59/88/12/524598812.db2.gz OYFWAKJBMGYRAC-IBGZPJMESA-N 2 2 356.470 1.313 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486318 524598819 /nfs/dbraw/zinc/59/88/19/524598819.db2.gz OYFWAKJBMGYRAC-IBGZPJMESA-N 2 2 356.470 1.313 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486318 524598829 /nfs/dbraw/zinc/59/88/29/524598829.db2.gz OYFWAKJBMGYRAC-IBGZPJMESA-N 2 2 356.470 1.313 20 30 FDEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1cc(Br)cn1C ZINC000159470260 524679623 /nfs/dbraw/zinc/67/96/23/524679623.db2.gz BADIRIXFOSMUOR-AWEZNQCLSA-N 2 2 372.311 1.125 20 30 FDEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1cc(Br)cn1C ZINC000159470260 524679629 /nfs/dbraw/zinc/67/96/29/524679629.db2.gz BADIRIXFOSMUOR-AWEZNQCLSA-N 2 2 372.311 1.125 20 30 FDEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000177356151 525280596 /nfs/dbraw/zinc/28/05/96/525280596.db2.gz ZBRQFWOGYJLCSY-LJQANCHMSA-N 2 2 371.481 1.111 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000155683653 525946185 /nfs/dbraw/zinc/94/61/85/525946185.db2.gz XDLADULGNXUPOI-DLBZAZTESA-N 2 2 373.526 1.437 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000155683653 525946191 /nfs/dbraw/zinc/94/61/91/525946191.db2.gz XDLADULGNXUPOI-DLBZAZTESA-N 2 2 373.526 1.437 20 30 FDEDLP CC(C)NS(=O)(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181925419 525983379 /nfs/dbraw/zinc/98/33/79/525983379.db2.gz KIFQSBPEHAQSOQ-UHFFFAOYSA-N 2 2 364.515 1.440 20 30 FDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000248928174 537221581 /nfs/dbraw/zinc/22/15/81/537221581.db2.gz XLTBGMWGNLPOEW-KURKYZTESA-N 2 2 370.501 1.954 20 30 FDEDLP CC[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000330226663 537651934 /nfs/dbraw/zinc/65/19/34/537651934.db2.gz OWEJRIREAKATRQ-XDNAFOTISA-N 2 2 368.522 1.052 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000245662137 537661423 /nfs/dbraw/zinc/66/14/23/537661423.db2.gz GDUROMDONZIGNO-LJQANCHMSA-N 2 2 358.486 1.730 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245662137 537661424 /nfs/dbraw/zinc/66/14/24/537661424.db2.gz GDUROMDONZIGNO-LJQANCHMSA-N 2 2 358.486 1.730 20 30 FDEDLP CN(CCC#N)c1ccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1 ZINC000367879978 537969956 /nfs/dbraw/zinc/96/99/56/537969956.db2.gz RMJPCVWTZILJNZ-UHFFFAOYSA-N 2 2 369.513 1.775 20 30 FDEDLP CN(CCC#N)c1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1 ZINC000367879978 537969960 /nfs/dbraw/zinc/96/99/60/537969960.db2.gz RMJPCVWTZILJNZ-UHFFFAOYSA-N 2 2 369.513 1.775 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000369961666 538082514 /nfs/dbraw/zinc/08/25/14/538082514.db2.gz LNNGSTBBZPIBOP-AYOQOUSVSA-N 2 2 356.470 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000369961666 538082517 /nfs/dbraw/zinc/08/25/17/538082517.db2.gz LNNGSTBBZPIBOP-AYOQOUSVSA-N 2 2 356.470 1.976 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000451673054 538297397 /nfs/dbraw/zinc/29/73/97/538297397.db2.gz JZXAMAZCOQBFJA-UXHICEINSA-N 2 2 373.497 1.458 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459125826 538673589 /nfs/dbraw/zinc/67/35/89/538673589.db2.gz QYCHGDYGYUQARH-UHFFFAOYSA-N 2 2 361.465 1.865 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459125826 538673595 /nfs/dbraw/zinc/67/35/95/538673595.db2.gz QYCHGDYGYUQARH-UHFFFAOYSA-N 2 2 361.465 1.865 20 30 FDEDLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000572804353 549997942 /nfs/dbraw/zinc/99/79/42/549997942.db2.gz UJZSTYCOMXYFAY-WBVHZDCISA-N 2 2 362.499 1.405 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000573073664 550057475 /nfs/dbraw/zinc/05/74/75/550057475.db2.gz NBTVHKBTINOKGD-GOSISDBHSA-N 2 2 355.486 1.775 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470728 552567864 /nfs/dbraw/zinc/56/78/64/552567864.db2.gz QYSCZWJGDZDDOJ-PMACEKPBSA-N 2 2 373.497 1.679 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470728 552567866 /nfs/dbraw/zinc/56/78/66/552567866.db2.gz QYSCZWJGDZDDOJ-PMACEKPBSA-N 2 2 373.497 1.679 20 30 FDEDLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839730 552621749 /nfs/dbraw/zinc/62/17/49/552621749.db2.gz IQTJEFVCYNHPCB-DYESRHJHSA-N 2 2 370.497 1.759 20 30 FDEDLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839730 552621750 /nfs/dbraw/zinc/62/17/50/552621750.db2.gz IQTJEFVCYNHPCB-DYESRHJHSA-N 2 2 370.497 1.759 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595862430 552624922 /nfs/dbraw/zinc/62/49/22/552624922.db2.gz BNBVWPQHQUZZEN-RTBURBONSA-N 2 2 359.470 1.023 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595862430 552624923 /nfs/dbraw/zinc/62/49/23/552624923.db2.gz BNBVWPQHQUZZEN-RTBURBONSA-N 2 2 359.470 1.023 20 30 FDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599424285 553054001 /nfs/dbraw/zinc/05/40/01/553054001.db2.gz MJBQATYFULZRQO-SJLPKXTDSA-N 2 2 351.491 1.243 20 30 FDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599424285 553054004 /nfs/dbraw/zinc/05/40/04/553054004.db2.gz MJBQATYFULZRQO-SJLPKXTDSA-N 2 2 351.491 1.243 20 30 FDEDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599623121 553106330 /nfs/dbraw/zinc/10/63/30/553106330.db2.gz SCDVIWMHBHNXHA-KRWDZBQOSA-N 2 2 351.491 1.244 20 30 FDEDLP N#CC1(C[C@H](O)C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000600723159 553307722 /nfs/dbraw/zinc/30/77/22/553307722.db2.gz WDZAGXBFCWKDOK-SFHVURJKSA-N 2 2 359.470 1.542 20 30 FDEDLP CCC1([NH+](C)C)CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000602966425 553682522 /nfs/dbraw/zinc/68/25/22/553682522.db2.gz FHWGBLKAMQNGLO-GOSISDBHSA-N 2 2 363.550 1.485 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000610503613 554519812 /nfs/dbraw/zinc/51/98/12/554519812.db2.gz NSUBTTKPSHKMGY-FQEVSTJZSA-N 2 2 369.513 1.669 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000611371599 554629172 /nfs/dbraw/zinc/62/91/72/554629172.db2.gz CMOUKDZTDABCCS-ZWKOTPCHSA-N 2 2 358.490 1.212 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000611371599 554629173 /nfs/dbraw/zinc/62/91/73/554629173.db2.gz CMOUKDZTDABCCS-ZWKOTPCHSA-N 2 2 358.490 1.212 20 30 FDEDLP CC[NH+]=C(NCCN1CCSCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261944301 672698843 /nfs/dbraw/zinc/69/88/43/672698843.db2.gz FHWFFVRZTYVBTK-DLBZAZTESA-N 2 2 364.563 1.780 20 30 FDEDLP C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261987184 672707480 /nfs/dbraw/zinc/70/74/80/672707480.db2.gz QKJTWTBOYXKRCS-ISQRANHSSA-N 2 2 353.536 1.889 20 30 FDEDLP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329288807 676631181 /nfs/dbraw/zinc/63/11/81/676631181.db2.gz PWDMCQFQPRYXAU-MSOLQXFVSA-N 2 2 353.507 1.679 20 30 FDEDLP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329288807 676631182 /nfs/dbraw/zinc/63/11/82/676631182.db2.gz PWDMCQFQPRYXAU-MSOLQXFVSA-N 2 2 353.507 1.679 20 30 FDEDLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC#N ZINC000331323005 676727228 /nfs/dbraw/zinc/72/72/28/676727228.db2.gz LMXFHTRHFZLOQG-IAGOWNOFSA-N 2 2 356.536 1.499 20 30 FDEDLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC#N ZINC000331323005 676727229 /nfs/dbraw/zinc/72/72/29/676727229.db2.gz LMXFHTRHFZLOQG-IAGOWNOFSA-N 2 2 356.536 1.499 20 30 FDEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001022734006 782766214 /nfs/dbraw/zinc/76/62/14/782766214.db2.gz GUSWZTYRYVBVLN-YVECIDJPSA-N 2 2 353.264 1.669 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC000970012491 771197284 /nfs/dbraw/zinc/19/72/84/771197284.db2.gz ATCZMHXHULXQDA-KZNAEPCWSA-N 2 2 367.428 1.925 20 30 FDEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352260 776605409 /nfs/dbraw/zinc/60/54/09/776605409.db2.gz MFIPZUIJLLUJFS-HUUCEWRRSA-N 2 2 367.453 1.000 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(C#N)s3)C2)O1 ZINC000971781674 779069324 /nfs/dbraw/zinc/06/93/24/779069324.db2.gz LXKDJOPZAHPHDP-CKEIUWERSA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(C#N)s3)C2)O1 ZINC000971781674 779069330 /nfs/dbraw/zinc/06/93/30/779069330.db2.gz LXKDJOPZAHPHDP-CKEIUWERSA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)s3)C2)O1 ZINC000971781674 779069335 /nfs/dbraw/zinc/06/93/35/779069335.db2.gz LXKDJOPZAHPHDP-CKEIUWERSA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)O1 ZINC000971781674 779069338 /nfs/dbraw/zinc/06/93/38/779069338.db2.gz LXKDJOPZAHPHDP-CKEIUWERSA-N 2 2 362.499 1.372 20 30 FDEDLP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083247966 783425979 /nfs/dbraw/zinc/42/59/79/783425979.db2.gz LTJHBMLYVFSZDF-QHAWAJNXSA-N 2 2 367.493 1.292 20 30 FDEDLP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083247966 783425982 /nfs/dbraw/zinc/42/59/82/783425982.db2.gz LTJHBMLYVFSZDF-QHAWAJNXSA-N 2 2 367.493 1.292 20 30 FDEDLP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083247966 783425985 /nfs/dbraw/zinc/42/59/85/783425985.db2.gz LTJHBMLYVFSZDF-QHAWAJNXSA-N 2 2 367.493 1.292 20 30 FDEDLP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083247966 783425989 /nfs/dbraw/zinc/42/59/89/783425989.db2.gz LTJHBMLYVFSZDF-QHAWAJNXSA-N 2 2 367.493 1.292 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000783032603 792171660 /nfs/dbraw/zinc/17/16/60/792171660.db2.gz UWFXOBLKRCFGCB-UHFFFAOYSA-N 2 2 357.502 1.153 20 30 FDEDLP C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104909013 794359756 /nfs/dbraw/zinc/35/97/56/794359756.db2.gz SXBKAGYTZBXFFA-TZMCWYRMSA-N 2 2 369.307 1.945 20 30 FDEDLP C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000517936919 817641533 /nfs/dbraw/zinc/64/15/33/817641533.db2.gz BTZIVLVGZAWWEY-MAUKXSAKSA-N 2 2 353.474 1.059 20 30 FDEDLP C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000517936919 817641534 /nfs/dbraw/zinc/64/15/34/817641534.db2.gz BTZIVLVGZAWWEY-MAUKXSAKSA-N 2 2 353.474 1.059 20 30 FDEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330623477 819629224 /nfs/dbraw/zinc/62/92/24/819629224.db2.gz PQCCYSWDLJJOCL-HOTGVXAUSA-N 2 2 367.538 1.161 20 30 FDEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330623477 819629230 /nfs/dbraw/zinc/62/92/30/819629230.db2.gz PQCCYSWDLJJOCL-HOTGVXAUSA-N 2 2 367.538 1.161 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@H+]2CC=CCC2)CC1=O ZINC000280840352 820423387 /nfs/dbraw/zinc/42/33/87/820423387.db2.gz ALZACMZPFAJFFZ-UHFFFAOYSA-N 2 2 351.454 1.908 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@@H+]2CC=CCC2)CC1=O ZINC000280840352 820423391 /nfs/dbraw/zinc/42/33/91/820423391.db2.gz ALZACMZPFAJFFZ-UHFFFAOYSA-N 2 2 351.454 1.908 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cccc(C#N)c2)O1 ZINC001029356558 820853654 /nfs/dbraw/zinc/85/36/54/820853654.db2.gz QRVMGCXMGCJQFT-GEALJGNFSA-N 2 2 368.481 1.453 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cccc(C#N)c2)O1 ZINC001029356558 820853671 /nfs/dbraw/zinc/85/36/71/820853671.db2.gz QRVMGCXMGCJQFT-GEALJGNFSA-N 2 2 368.481 1.453 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)O1 ZINC001029356558 820853680 /nfs/dbraw/zinc/85/36/80/820853680.db2.gz QRVMGCXMGCJQFT-GEALJGNFSA-N 2 2 368.481 1.453 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)O1 ZINC001029356558 820853689 /nfs/dbraw/zinc/85/36/89/820853689.db2.gz QRVMGCXMGCJQFT-GEALJGNFSA-N 2 2 368.481 1.453 20 30 FDEDLP C=C(Br)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810474 821205333 /nfs/dbraw/zinc/20/53/33/821205333.db2.gz GQMVYPJNQMLDJA-LXTVHRRPSA-N 2 2 356.308 1.768 20 30 FDEDLP C=C(Br)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810474 821205341 /nfs/dbraw/zinc/20/53/41/821205341.db2.gz GQMVYPJNQMLDJA-LXTVHRRPSA-N 2 2 356.308 1.768 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810474 821205350 /nfs/dbraw/zinc/20/53/50/821205350.db2.gz GQMVYPJNQMLDJA-LXTVHRRPSA-N 2 2 356.308 1.768 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810474 821205356 /nfs/dbraw/zinc/20/53/56/821205356.db2.gz GQMVYPJNQMLDJA-LXTVHRRPSA-N 2 2 356.308 1.768 20 30 FDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C[C@@H](C)O1 ZINC000329058927 824550142 /nfs/dbraw/zinc/55/01/42/824550142.db2.gz UGEFKBMLUWPZRF-VQHPVUNQSA-N 2 2 368.522 1.193 20 30 FDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C[C@@H](C)O1 ZINC000329058927 824550150 /nfs/dbraw/zinc/55/01/50/824550150.db2.gz UGEFKBMLUWPZRF-VQHPVUNQSA-N 2 2 368.522 1.193 20 30 FDEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329696484 825323638 /nfs/dbraw/zinc/32/36/38/825323638.db2.gz BVRDJHIFSIQVFP-BBWFWOEESA-N 2 2 374.533 1.671 20 30 FDEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329696484 825323648 /nfs/dbraw/zinc/32/36/48/825323648.db2.gz BVRDJHIFSIQVFP-BBWFWOEESA-N 2 2 374.533 1.671 20 30 FDEDLP CCC(=O)N1CC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000330033269 825606367 /nfs/dbraw/zinc/60/63/67/825606367.db2.gz VKAQBQVIOCDXHQ-INIZCTEOSA-N 2 2 365.522 1.060 20 30 FDEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330180061 825707966 /nfs/dbraw/zinc/70/79/66/825707966.db2.gz FSQGWNHKTBXYTM-GOSISDBHSA-N 2 2 369.469 1.940 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1 ZINC001088170710 827232349 /nfs/dbraw/zinc/23/23/49/827232349.db2.gz CIXCFVFXUZAYIN-CABCVRRESA-N 2 2 369.494 1.876 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1 ZINC001088170710 827232352 /nfs/dbraw/zinc/23/23/52/827232352.db2.gz CIXCFVFXUZAYIN-CABCVRRESA-N 2 2 369.494 1.876 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105667684 843682309 /nfs/dbraw/zinc/68/23/09/843682309.db2.gz DBWGVBKAJZOPBI-HNBVOPMISA-N 2 2 360.502 1.803 20 30 FDEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667641810 844933319 /nfs/dbraw/zinc/93/33/19/844933319.db2.gz DULZXHGCVKIVDF-GOSISDBHSA-N 2 2 350.507 1.132 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4nnc(C)o4)C[C@H]32)CC1 ZINC001076605894 848557257 /nfs/dbraw/zinc/55/72/57/848557257.db2.gz YKUZSLCCIOUUSX-JCGIZDLHSA-N 2 2 371.485 1.317 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4nnc(C)o4)C[C@H]32)CC1 ZINC001076605894 848557261 /nfs/dbraw/zinc/55/72/61/848557261.db2.gz YKUZSLCCIOUUSX-JCGIZDLHSA-N 2 2 371.485 1.317 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC001089005778 866008068 /nfs/dbraw/zinc/00/80/68/866008068.db2.gz XQQTYNPMDLAHBI-QAPCUYQASA-N 2 2 367.453 1.942 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC001089005778 866008089 /nfs/dbraw/zinc/00/80/89/866008089.db2.gz XQQTYNPMDLAHBI-QAPCUYQASA-N 2 2 367.453 1.942 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000923596032 868949895 /nfs/dbraw/zinc/94/98/95/868949895.db2.gz YXKKAXNJDUAYGO-LJQANCHMSA-N 2 2 351.454 1.823 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000923596032 868949898 /nfs/dbraw/zinc/94/98/98/868949898.db2.gz YXKKAXNJDUAYGO-LJQANCHMSA-N 2 2 351.454 1.823 20 30 FDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000492912425 870536065 /nfs/dbraw/zinc/53/60/65/870536065.db2.gz OVIZZBARDPNOPF-UHFFFAOYSA-N 2 2 354.458 1.678 20 30 FDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000492912425 870536071 /nfs/dbraw/zinc/53/60/71/870536071.db2.gz OVIZZBARDPNOPF-UHFFFAOYSA-N 2 2 354.458 1.678 20 30 FDEDLP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106223535 873954832 /nfs/dbraw/zinc/95/48/32/873954832.db2.gz IZLZNQCIQIGNHG-DGCLKSJQSA-N 2 2 355.280 1.935 20 30 FDEDLP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106223535 873954838 /nfs/dbraw/zinc/95/48/38/873954838.db2.gz IZLZNQCIQIGNHG-DGCLKSJQSA-N 2 2 355.280 1.935 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001106474453 875573561 /nfs/dbraw/zinc/57/35/61/875573561.db2.gz MYDGUAYBEPCGDW-OLMNPRSZSA-N 2 2 369.937 1.924 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001106474453 875573565 /nfs/dbraw/zinc/57/35/65/875573565.db2.gz MYDGUAYBEPCGDW-OLMNPRSZSA-N 2 2 369.937 1.924 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004838 884999322 /nfs/dbraw/zinc/99/93/22/884999322.db2.gz ZBMOXYFFKPLYMI-ZACQAIPSSA-N 2 2 369.473 1.053 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004838 884999325 /nfs/dbraw/zinc/99/93/25/884999325.db2.gz ZBMOXYFFKPLYMI-ZACQAIPSSA-N 2 2 369.473 1.053 20 30 FDEDLP Cn1nc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C1CC1 ZINC000329542512 887232929 /nfs/dbraw/zinc/23/29/29/887232929.db2.gz XVBBPNTUIGYVQM-UHFFFAOYSA-N 2 2 360.506 2.182 20 30 FDEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084091974 913384106 /nfs/dbraw/zinc/38/41/06/913384106.db2.gz ZKMNFPSLQFUAPK-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084091974 913384110 /nfs/dbraw/zinc/38/41/10/913384110.db2.gz ZKMNFPSLQFUAPK-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084091974 913384119 /nfs/dbraw/zinc/38/41/19/913384119.db2.gz ZKMNFPSLQFUAPK-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084091974 913384131 /nfs/dbraw/zinc/38/41/31/913384131.db2.gz ZKMNFPSLQFUAPK-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212428101 896900200 /nfs/dbraw/zinc/90/02/00/896900200.db2.gz OFRHVXSLFHBZQZ-PWRODBHTSA-N 2 2 369.509 1.728 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212428101 896900216 /nfs/dbraw/zinc/90/02/16/896900216.db2.gz OFRHVXSLFHBZQZ-PWRODBHTSA-N 2 2 369.509 1.728 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212428101 896900217 /nfs/dbraw/zinc/90/02/17/896900217.db2.gz OFRHVXSLFHBZQZ-PWRODBHTSA-N 2 2 369.509 1.728 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212428101 896900225 /nfs/dbraw/zinc/90/02/25/896900225.db2.gz OFRHVXSLFHBZQZ-PWRODBHTSA-N 2 2 369.509 1.728 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cccnc3C)C[C@H]21 ZINC001084417726 914374540 /nfs/dbraw/zinc/37/45/40/914374540.db2.gz AXFFGKHRIXGRFN-HSALFYBXSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccnc3C)C[C@H]21 ZINC001084417726 914374561 /nfs/dbraw/zinc/37/45/61/914374561.db2.gz AXFFGKHRIXGRFN-HSALFYBXSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccnc3C)C[C@H]21 ZINC001084417726 914374584 /nfs/dbraw/zinc/37/45/84/914374584.db2.gz AXFFGKHRIXGRFN-HSALFYBXSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccnc3C)C[C@H]21 ZINC001084417726 914374607 /nfs/dbraw/zinc/37/46/07/914374607.db2.gz AXFFGKHRIXGRFN-HSALFYBXSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cnccc3C)C[C@H]21 ZINC001084418033 914380581 /nfs/dbraw/zinc/38/05/81/914380581.db2.gz ROEVUBRQUKGWCQ-YZGWKJHDSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cnccc3C)C[C@H]21 ZINC001084418033 914380602 /nfs/dbraw/zinc/38/06/02/914380602.db2.gz ROEVUBRQUKGWCQ-YZGWKJHDSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cnccc3C)C[C@H]21 ZINC001084418033 914380622 /nfs/dbraw/zinc/38/06/22/914380622.db2.gz ROEVUBRQUKGWCQ-YZGWKJHDSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cnccc3C)C[C@H]21 ZINC001084418033 914380643 /nfs/dbraw/zinc/38/06/43/914380643.db2.gz ROEVUBRQUKGWCQ-YZGWKJHDSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248004 902262745 /nfs/dbraw/zinc/26/27/45/902262745.db2.gz BVCDJJJYIHSAAJ-NZSAHSFTSA-N 2 2 368.481 1.018 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248005 902263170 /nfs/dbraw/zinc/26/31/70/902263170.db2.gz BVCDJJJYIHSAAJ-YTQUADARSA-N 2 2 368.481 1.018 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1C ZINC001079878015 903600163 /nfs/dbraw/zinc/60/01/63/903600163.db2.gz AZJTYWXWKRLHKO-ZMYBRWDISA-N 2 2 367.453 1.257 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1C ZINC001079878015 903600176 /nfs/dbraw/zinc/60/01/76/903600176.db2.gz AZJTYWXWKRLHKO-ZMYBRWDISA-N 2 2 367.453 1.257 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1C ZINC001079878015 903600192 /nfs/dbraw/zinc/60/01/92/903600192.db2.gz AZJTYWXWKRLHKO-ZMYBRWDISA-N 2 2 367.453 1.257 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1C ZINC001079878015 903600208 /nfs/dbraw/zinc/60/02/08/903600208.db2.gz AZJTYWXWKRLHKO-ZMYBRWDISA-N 2 2 367.453 1.257 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691918 904938303 /nfs/dbraw/zinc/93/83/03/904938303.db2.gz YFIDCIPOJCXWBE-HUYLIWGRSA-N 2 2 373.472 1.333 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691918 904938307 /nfs/dbraw/zinc/93/83/07/904938307.db2.gz YFIDCIPOJCXWBE-HUYLIWGRSA-N 2 2 373.472 1.333 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691918 904938314 /nfs/dbraw/zinc/93/83/14/904938314.db2.gz YFIDCIPOJCXWBE-HUYLIWGRSA-N 2 2 373.472 1.333 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691918 904938323 /nfs/dbraw/zinc/93/83/23/904938323.db2.gz YFIDCIPOJCXWBE-HUYLIWGRSA-N 2 2 373.472 1.333 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CC)cc2)C[C@H]1OC ZINC001081811169 905132968 /nfs/dbraw/zinc/13/29/68/905132968.db2.gz LARQUTKHUPVTSF-QHAWAJNXSA-N 2 2 369.509 1.662 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@H]1OC ZINC001081811169 905132973 /nfs/dbraw/zinc/13/29/73/905132973.db2.gz LARQUTKHUPVTSF-QHAWAJNXSA-N 2 2 369.509 1.662 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CC)cc2)C[C@H]1OC ZINC001081811169 905132976 /nfs/dbraw/zinc/13/29/76/905132976.db2.gz LARQUTKHUPVTSF-QHAWAJNXSA-N 2 2 369.509 1.662 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CC)cc2)C[C@H]1OC ZINC001081811169 905132979 /nfs/dbraw/zinc/13/29/79/905132979.db2.gz LARQUTKHUPVTSF-QHAWAJNXSA-N 2 2 369.509 1.662 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080946574 906779539 /nfs/dbraw/zinc/77/95/39/906779539.db2.gz GBMKAUVACCCMOC-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080946574 906779558 /nfs/dbraw/zinc/77/95/58/906779558.db2.gz GBMKAUVACCCMOC-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001082384568 907391652 /nfs/dbraw/zinc/39/16/52/907391652.db2.gz CJBBGAHGHWQEJP-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001082384568 907391668 /nfs/dbraw/zinc/39/16/68/907391668.db2.gz CJBBGAHGHWQEJP-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001082384568 907391693 /nfs/dbraw/zinc/39/16/93/907391693.db2.gz CJBBGAHGHWQEJP-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001082384568 907391710 /nfs/dbraw/zinc/39/17/10/907391710.db2.gz CJBBGAHGHWQEJP-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C(F)F)C1 ZINC001082568009 908704775 /nfs/dbraw/zinc/70/47/75/908704775.db2.gz ROTJTCPEUNGRNM-KFWWJZLASA-N 2 2 365.428 1.312 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C(F)F)C1 ZINC001082568009 908704789 /nfs/dbraw/zinc/70/47/89/908704789.db2.gz ROTJTCPEUNGRNM-KFWWJZLASA-N 2 2 365.428 1.312 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084523553 915175295 /nfs/dbraw/zinc/17/52/95/915175295.db2.gz MEMLBVJXMMUVBH-VQIMIIECSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084523553 915175305 /nfs/dbraw/zinc/17/53/05/915175305.db2.gz MEMLBVJXMMUVBH-VQIMIIECSA-N 2 2 367.428 1.935 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000730096438 916116843 /nfs/dbraw/zinc/11/68/43/916116843.db2.gz QDSQGUUGDSDOLO-KRWDZBQOSA-N 2 2 355.486 1.655 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000730096438 916116851 /nfs/dbraw/zinc/11/68/51/916116851.db2.gz QDSQGUUGDSDOLO-KRWDZBQOSA-N 2 2 355.486 1.655 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccns4)C[C@H]32)CC1 ZINC001084850910 917656851 /nfs/dbraw/zinc/65/68/51/917656851.db2.gz CHCDFDRCISPDPB-SJLPKXTDSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccns4)C[C@H]32)CC1 ZINC001084850910 917656863 /nfs/dbraw/zinc/65/68/63/917656863.db2.gz CHCDFDRCISPDPB-SJLPKXTDSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccc(C)n1 ZINC001085229879 922983612 /nfs/dbraw/zinc/98/36/12/922983612.db2.gz OMRKBKTUNURUOU-KURKYZTESA-N 2 2 355.486 1.400 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccc(C)n1 ZINC001085229879 922983614 /nfs/dbraw/zinc/98/36/14/922983614.db2.gz OMRKBKTUNURUOU-KURKYZTESA-N 2 2 355.486 1.400 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(C#N)cc2)O1 ZINC001085670621 925036527 /nfs/dbraw/zinc/03/65/27/925036527.db2.gz APAODQZRPMDMHE-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(C#N)cc2)O1 ZINC001085670621 925036537 /nfs/dbraw/zinc/03/65/37/925036537.db2.gz APAODQZRPMDMHE-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)O1 ZINC001085670621 925036544 /nfs/dbraw/zinc/03/65/44/925036544.db2.gz APAODQZRPMDMHE-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)O1 ZINC001085670621 925036551 /nfs/dbraw/zinc/03/65/51/925036551.db2.gz APAODQZRPMDMHE-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C#CC[NH+]1CCC(c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)CC1 ZINC000770852958 930284048 /nfs/dbraw/zinc/28/40/48/930284048.db2.gz NTIYAERKGRUZDK-UHFFFAOYSA-N 2 2 366.469 1.696 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001109857976 930611045 /nfs/dbraw/zinc/61/10/45/930611045.db2.gz MYWBKSLPVHKWLF-SQNIBIBYSA-N 2 2 364.534 1.522 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001109857976 930611052 /nfs/dbraw/zinc/61/10/52/930611052.db2.gz MYWBKSLPVHKWLF-SQNIBIBYSA-N 2 2 364.534 1.522 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857976 930611053 /nfs/dbraw/zinc/61/10/53/930611053.db2.gz MYWBKSLPVHKWLF-SQNIBIBYSA-N 2 2 364.534 1.522 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857976 930611057 /nfs/dbraw/zinc/61/10/57/930611057.db2.gz MYWBKSLPVHKWLF-SQNIBIBYSA-N 2 2 364.534 1.522 20 30 FDEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001112582946 931751466 /nfs/dbraw/zinc/75/14/66/931751466.db2.gz WTYDLQAOMZRSQV-ZVDOUQERSA-N 2 2 361.530 1.892 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130023139 938621181 /nfs/dbraw/zinc/62/11/81/938621181.db2.gz XFTPJVXBHKXRAM-ZACQAIPSSA-N 2 2 357.462 1.434 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130159031 938720408 /nfs/dbraw/zinc/72/04/08/938720408.db2.gz YOSPVTUWRMRNFA-SJORKVTESA-N 2 2 357.462 1.263 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cncn1C ZINC001131018036 940439249 /nfs/dbraw/zinc/43/92/49/940439249.db2.gz YODHSXRFVISQIC-KBAYOESNSA-N 2 2 368.485 1.339 20 30 FDEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001131310509 940550391 /nfs/dbraw/zinc/55/03/91/940550391.db2.gz UFVBIRGMHHCOHM-OAGGEKHMSA-N 2 2 364.490 1.009 20 30 FDEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001131310509 940550392 /nfs/dbraw/zinc/55/03/92/940550392.db2.gz UFVBIRGMHHCOHM-OAGGEKHMSA-N 2 2 364.490 1.009 20 30 FDEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001131310509 940550393 /nfs/dbraw/zinc/55/03/93/940550393.db2.gz UFVBIRGMHHCOHM-OAGGEKHMSA-N 2 2 364.490 1.009 20 30 FDEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001131310509 940550394 /nfs/dbraw/zinc/55/03/94/940550394.db2.gz UFVBIRGMHHCOHM-OAGGEKHMSA-N 2 2 364.490 1.009 20 30 FDEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001131310510 940550413 /nfs/dbraw/zinc/55/04/13/940550413.db2.gz UFVBIRGMHHCOHM-XHSDSOJGSA-N 2 2 364.490 1.009 20 30 FDEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001131310510 940550414 /nfs/dbraw/zinc/55/04/14/940550414.db2.gz UFVBIRGMHHCOHM-XHSDSOJGSA-N 2 2 364.490 1.009 20 30 FDEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001131310510 940550415 /nfs/dbraw/zinc/55/04/15/940550415.db2.gz UFVBIRGMHHCOHM-XHSDSOJGSA-N 2 2 364.490 1.009 20 30 FDEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001131310510 940550416 /nfs/dbraw/zinc/55/04/16/940550416.db2.gz UFVBIRGMHHCOHM-XHSDSOJGSA-N 2 2 364.490 1.009 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001131594793 940776765 /nfs/dbraw/zinc/77/67/65/940776765.db2.gz FAKDVLKONUPXQR-AEFFLSMTSA-N 2 2 358.486 1.696 20 30 FDEDLP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1C#N ZINC001134049953 941538097 /nfs/dbraw/zinc/53/80/97/941538097.db2.gz WRKVKKJEGMETRJ-HZPDHXFCSA-N 2 2 353.426 1.310 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000820192915 943944557 /nfs/dbraw/zinc/94/45/57/943944557.db2.gz GYCAMFLTIVBLOA-HXUWFJFHSA-N 2 2 355.482 1.873 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000820192915 943944562 /nfs/dbraw/zinc/94/45/62/943944562.db2.gz GYCAMFLTIVBLOA-HXUWFJFHSA-N 2 2 355.482 1.873 20 30 FDEDLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845200881 948849190 /nfs/dbraw/zinc/84/91/90/948849190.db2.gz ISYQSACXKQPXNC-UHFFFAOYSA-N 2 2 352.442 1.756 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086985197 953001693 /nfs/dbraw/zinc/00/16/93/953001693.db2.gz YBOVABJQYZORHP-URLQWDBASA-N 2 2 368.485 1.327 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086985197 953001701 /nfs/dbraw/zinc/00/17/01/953001701.db2.gz YBOVABJQYZORHP-URLQWDBASA-N 2 2 368.485 1.327 20 30 FDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883506 953518738 /nfs/dbraw/zinc/51/87/38/953518738.db2.gz MEBLMDYMWXDJLR-SBHAEUEKSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883506 953518742 /nfs/dbraw/zinc/51/87/42/953518742.db2.gz MEBLMDYMWXDJLR-SBHAEUEKSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883506 953518748 /nfs/dbraw/zinc/51/87/48/953518748.db2.gz MEBLMDYMWXDJLR-SBHAEUEKSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883506 953518756 /nfs/dbraw/zinc/51/87/56/953518756.db2.gz MEBLMDYMWXDJLR-SBHAEUEKSA-N 2 2 361.530 1.844 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CC1 ZINC001092300501 954748716 /nfs/dbraw/zinc/74/87/16/954748716.db2.gz YGHFXNZWVNOPOR-XLIONFOSSA-N 2 2 371.485 1.004 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CC1 ZINC001092300501 954748719 /nfs/dbraw/zinc/74/87/19/954748719.db2.gz YGHFXNZWVNOPOR-XLIONFOSSA-N 2 2 371.485 1.004 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093472031 958236609 /nfs/dbraw/zinc/23/66/09/958236609.db2.gz HYYMMRFWTFFWQQ-HNBVOPMISA-N 2 2 360.502 1.505 20 30 FDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001179191344 964783733 /nfs/dbraw/zinc/78/37/33/964783733.db2.gz RPCRRJXYMLBGLZ-RDGPPVDQSA-N 2 2 365.518 1.411 20 30 FDEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312556 966905354 /nfs/dbraw/zinc/90/53/54/966905354.db2.gz VKSJLRNQODQWMO-FGTMMUONSA-N 2 2 362.518 1.086 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312556 966905357 /nfs/dbraw/zinc/90/53/57/966905357.db2.gz VKSJLRNQODQWMO-FGTMMUONSA-N 2 2 362.518 1.086 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC#Cc3ccccc3)C2)O1 ZINC001190901057 968133241 /nfs/dbraw/zinc/13/32/41/968133241.db2.gz UAGQTOJSUZVNAW-YZGWKJHDSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC#Cc3ccccc3)C2)O1 ZINC001190901057 968133249 /nfs/dbraw/zinc/13/32/49/968133249.db2.gz UAGQTOJSUZVNAW-YZGWKJHDSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC#Cc3ccccc3)C2)O1 ZINC001190901057 968133255 /nfs/dbraw/zinc/13/32/55/968133255.db2.gz UAGQTOJSUZVNAW-YZGWKJHDSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC#Cc3ccccc3)C2)O1 ZINC001190901057 968133262 /nfs/dbraw/zinc/13/32/62/968133262.db2.gz UAGQTOJSUZVNAW-YZGWKJHDSA-N 2 2 355.482 1.290 20 30 FDEDLP C#C[C@H]1CCC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000848494816 976841715 /nfs/dbraw/zinc/84/17/15/976841715.db2.gz SLLVENDADJBCJT-YTQUADARSA-N 2 2 351.450 1.406 20 30 FDEDLP C#C[C@H]1CCC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000848494816 976841721 /nfs/dbraw/zinc/84/17/21/976841721.db2.gz SLLVENDADJBCJT-YTQUADARSA-N 2 2 351.450 1.406 20 30 FDEDLP C#C[C@H]1CCC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000848494816 976841737 /nfs/dbraw/zinc/84/17/37/976841737.db2.gz SLLVENDADJBCJT-YTQUADARSA-N 2 2 351.450 1.406 20 30 FDEDLP C#C[C@H]1CCC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000848494816 976841753 /nfs/dbraw/zinc/84/17/53/976841753.db2.gz SLLVENDADJBCJT-YTQUADARSA-N 2 2 351.450 1.406 20 30 FDEDLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984364 977169291 /nfs/dbraw/zinc/16/92/91/977169291.db2.gz WCNYKAXWVLJUQV-BKEDOTJMSA-N 2 2 356.470 1.359 20 30 FDEDLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984364 977169295 /nfs/dbraw/zinc/16/92/95/977169295.db2.gz WCNYKAXWVLJUQV-BKEDOTJMSA-N 2 2 356.470 1.359 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765606 982495570 /nfs/dbraw/zinc/49/55/70/982495570.db2.gz IDEPSLYKQITNSZ-VQHPVUNQSA-N 2 2 360.502 1.027 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765606 982495574 /nfs/dbraw/zinc/49/55/74/982495574.db2.gz IDEPSLYKQITNSZ-VQHPVUNQSA-N 2 2 360.502 1.027 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000884361146 983114051 /nfs/dbraw/zinc/11/40/51/983114051.db2.gz NDYZMUSOAILKFI-GOSISDBHSA-N 2 2 355.486 1.887 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000884361146 983114056 /nfs/dbraw/zinc/11/40/56/983114056.db2.gz NDYZMUSOAILKFI-GOSISDBHSA-N 2 2 355.486 1.887 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000371425693 990422500 /nfs/dbraw/zinc/42/25/00/990422500.db2.gz UNUWRBHFFXVQRX-HXUWFJFHSA-N 2 2 369.513 1.134 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000371425693 990422506 /nfs/dbraw/zinc/42/25/06/990422506.db2.gz UNUWRBHFFXVQRX-HXUWFJFHSA-N 2 2 369.513 1.134 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248138 993145054 /nfs/dbraw/zinc/14/50/54/993145054.db2.gz GTFRMACHEGYUIG-IRXDYDNUSA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248138 993145062 /nfs/dbraw/zinc/14/50/62/993145062.db2.gz GTFRMACHEGYUIG-IRXDYDNUSA-N 2 2 351.878 1.782 20 30 FDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000264116423 997405239 /nfs/dbraw/zinc/40/52/39/997405239.db2.gz SSTSVYHGBCBDMT-UHFFFAOYSA-N 2 2 370.457 1.898 20 30 FDEDLP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000948929740 1002834587 /nfs/dbraw/zinc/83/45/87/1002834587.db2.gz RYHDFIXTLWXZNQ-LSTHTHJFSA-N 2 2 355.482 1.444 20 30 FDEDLP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000948929740 1002834604 /nfs/dbraw/zinc/83/46/04/1002834604.db2.gz RYHDFIXTLWXZNQ-LSTHTHJFSA-N 2 2 355.482 1.444 20 30 FDEDLP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929740 1002834617 /nfs/dbraw/zinc/83/46/17/1002834617.db2.gz RYHDFIXTLWXZNQ-LSTHTHJFSA-N 2 2 355.482 1.444 20 30 FDEDLP C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929740 1002834633 /nfs/dbraw/zinc/83/46/33/1002834633.db2.gz RYHDFIXTLWXZNQ-LSTHTHJFSA-N 2 2 355.482 1.444 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111012350 1004195217 /nfs/dbraw/zinc/19/52/17/1004195217.db2.gz NFOHQSPMANDODG-VQHPVUNQSA-N 2 2 350.507 1.131 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111012350 1004195221 /nfs/dbraw/zinc/19/52/21/1004195221.db2.gz NFOHQSPMANDODG-VQHPVUNQSA-N 2 2 350.507 1.131 20 30 FDEDLP COc1ncc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1C#N ZINC000932511521 1004994785 /nfs/dbraw/zinc/99/47/85/1004994785.db2.gz GERGNLMHYCAGKQ-UHFFFAOYSA-N 2 2 360.462 1.452 20 30 FDEDLP COc1ncc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1C#N ZINC000932511521 1004994787 /nfs/dbraw/zinc/99/47/87/1004994787.db2.gz GERGNLMHYCAGKQ-UHFFFAOYSA-N 2 2 360.462 1.452 20 30 FDEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[N@@H+]1C ZINC000959978275 1009244669 /nfs/dbraw/zinc/24/46/69/1009244669.db2.gz ZJXZVKSKNCGJRM-PIDWITHXSA-N 2 2 356.445 1.584 20 30 FDEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[N@H+]1C ZINC000959978275 1009244682 /nfs/dbraw/zinc/24/46/82/1009244682.db2.gz ZJXZVKSKNCGJRM-PIDWITHXSA-N 2 2 356.445 1.584 20 30 FDEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[NH+]1C ZINC000959978275 1009244694 /nfs/dbraw/zinc/24/46/94/1009244694.db2.gz ZJXZVKSKNCGJRM-PIDWITHXSA-N 2 2 356.445 1.584 20 30 FDEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[NH+]1C ZINC000959978275 1009244707 /nfs/dbraw/zinc/24/47/07/1009244707.db2.gz ZJXZVKSKNCGJRM-PIDWITHXSA-N 2 2 356.445 1.584 20 30 FDEDLP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303885259 1009673184 /nfs/dbraw/zinc/67/31/84/1009673184.db2.gz JOIUIFQPKBXSCC-UHFFFAOYSA-N 3 2 373.545 1.450 20 30 FDEDLP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000303885259 1009673194 /nfs/dbraw/zinc/67/31/94/1009673194.db2.gz JOIUIFQPKBXSCC-UHFFFAOYSA-N 3 2 373.545 1.450 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512288088 538971075 /nfs/dbraw/zinc/97/10/75/538971075.db2.gz YGVVPGJURQRGSZ-DYESRHJHSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512288088 538971076 /nfs/dbraw/zinc/97/10/76/538971076.db2.gz YGVVPGJURQRGSZ-DYESRHJHSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512288088 538971077 /nfs/dbraw/zinc/97/10/77/538971077.db2.gz YGVVPGJURQRGSZ-DYESRHJHSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512288088 538971078 /nfs/dbraw/zinc/97/10/78/538971078.db2.gz YGVVPGJURQRGSZ-DYESRHJHSA-N 2 2 370.497 1.985 20 30 FDEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C#N ZINC000535962796 540532147 /nfs/dbraw/zinc/53/21/47/540532147.db2.gz GFVSNAGLEHYFFH-GOSISDBHSA-N 2 2 370.497 1.945 20 30 FDEDLP COC(=O)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C#N ZINC000535962796 540532150 /nfs/dbraw/zinc/53/21/50/540532150.db2.gz GFVSNAGLEHYFFH-GOSISDBHSA-N 2 2 370.497 1.945 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000550713942 543157038 /nfs/dbraw/zinc/15/70/38/543157038.db2.gz MFYIAHZXWMSTCE-UHFFFAOYSA-N 2 2 357.502 1.722 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000550713942 543157040 /nfs/dbraw/zinc/15/70/40/543157040.db2.gz MFYIAHZXWMSTCE-UHFFFAOYSA-N 2 2 357.502 1.722 20 30 FDEDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000367671588 260075395 /nfs/dbraw/zinc/07/53/95/260075395.db2.gz JXMLKZUZDLGCBU-FQEVSTJZSA-N 2 2 369.513 1.134 20 30 FDEDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000367671588 260075396 /nfs/dbraw/zinc/07/53/96/260075396.db2.gz JXMLKZUZDLGCBU-FQEVSTJZSA-N 2 2 369.513 1.134 20 30 FDEDLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccc(C#N)s1 ZINC000378573418 262047787 /nfs/dbraw/zinc/04/77/87/262047787.db2.gz ZESIICOFXMSJAG-GDBMZVCRSA-N 2 2 362.499 1.594 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000057154323 522016468 /nfs/dbraw/zinc/01/64/68/522016468.db2.gz UAFYYZFZMDYKAB-HXUWFJFHSA-N 2 2 355.482 1.521 20 30 FDEDLP NC(=[NH+]OCc1noc(C2CC2)n1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776598 523856358 /nfs/dbraw/zinc/85/63/58/523856358.db2.gz ZYEGDFOYNLLDJL-UHFFFAOYSA-N 2 2 371.441 1.741 20 30 FDEDLP C[NH+](C)Cc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000172041645 524101038 /nfs/dbraw/zinc/10/10/38/524101038.db2.gz YXUQIZOLYSPRDF-UHFFFAOYSA-N 2 2 359.474 1.828 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000174892496 524780007 /nfs/dbraw/zinc/78/00/07/524780007.db2.gz NPAIOZPQCRDPHV-GOSISDBHSA-N 2 2 361.534 1.431 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375056 525283755 /nfs/dbraw/zinc/28/37/55/525283755.db2.gz GGCOYRHUEQTGRB-KRWDZBQOSA-N 2 2 363.550 1.675 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375056 525283760 /nfs/dbraw/zinc/28/37/60/525283760.db2.gz GGCOYRHUEQTGRB-KRWDZBQOSA-N 2 2 363.550 1.675 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177375056 525283764 /nfs/dbraw/zinc/28/37/64/525283764.db2.gz GGCOYRHUEQTGRB-KRWDZBQOSA-N 2 2 363.550 1.675 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177375056 525283767 /nfs/dbraw/zinc/28/37/67/525283767.db2.gz GGCOYRHUEQTGRB-KRWDZBQOSA-N 2 2 363.550 1.675 20 30 FDEDLP [NH2+]=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)Nc1ccccn1 ZINC000170911488 525766810 /nfs/dbraw/zinc/76/68/10/525766810.db2.gz JKZDOSYOPVVCHS-UHFFFAOYSA-N 2 2 355.442 1.719 20 30 FDEDLP COc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCOCC2(C)C)cc1OC ZINC000170914950 525767475 /nfs/dbraw/zinc/76/74/75/525767475.db2.gz XIUBKRCOYXJDEV-UHFFFAOYSA-N 2 2 350.463 1.219 20 30 FDEDLP COc1ccc(CNC(=[NH2+])NCC[N@H+]2CCOCC2(C)C)cc1OC ZINC000170914950 525767483 /nfs/dbraw/zinc/76/74/83/525767483.db2.gz XIUBKRCOYXJDEV-UHFFFAOYSA-N 2 2 350.463 1.219 20 30 FDEDLP CCNC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182018048 526022126 /nfs/dbraw/zinc/02/21/26/526022126.db2.gz KWVGUVLJXJSAMR-LJQANCHMSA-N 2 2 355.486 1.916 20 30 FDEDLP C=CCN(CCOC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000189319839 537027642 /nfs/dbraw/zinc/02/76/42/537027642.db2.gz NALYCCFLKMGMFG-UHFFFAOYSA-N 2 2 352.523 1.781 20 30 FDEDLP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000193608625 537252563 /nfs/dbraw/zinc/25/25/63/537252563.db2.gz DOZJAVBNMBWJOD-IYBDPMFKSA-N 2 2 365.399 1.667 20 30 FDEDLP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000193608625 537252564 /nfs/dbraw/zinc/25/25/64/537252564.db2.gz DOZJAVBNMBWJOD-IYBDPMFKSA-N 2 2 365.399 1.667 20 30 FDEDLP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000193608625 537252565 /nfs/dbraw/zinc/25/25/65/537252565.db2.gz DOZJAVBNMBWJOD-IYBDPMFKSA-N 2 2 365.399 1.667 20 30 FDEDLP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000193608625 537252566 /nfs/dbraw/zinc/25/25/66/537252566.db2.gz DOZJAVBNMBWJOD-IYBDPMFKSA-N 2 2 365.399 1.667 20 30 FDEDLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)N1CC[NH+](C)CC1 ZINC000329163584 537634917 /nfs/dbraw/zinc/63/49/17/537634917.db2.gz GJBPFUZQDCAACA-XYJFISCASA-N 2 2 362.522 1.395 20 30 FDEDLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)N1CC[NH+](C)CC1 ZINC000329163584 537634921 /nfs/dbraw/zinc/63/49/21/537634921.db2.gz GJBPFUZQDCAACA-XYJFISCASA-N 2 2 362.522 1.395 20 30 FDEDLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329955850 537647755 /nfs/dbraw/zinc/64/77/55/537647755.db2.gz KYYWBUBZVHFYGL-SJORKVTESA-N 2 2 362.522 1.887 20 30 FDEDLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329955850 537647760 /nfs/dbraw/zinc/64/77/60/537647760.db2.gz KYYWBUBZVHFYGL-SJORKVTESA-N 2 2 362.522 1.887 20 30 FDEDLP CCN1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330003704 537648282 /nfs/dbraw/zinc/64/82/82/537648282.db2.gz ZYIQBSRWVJWNHJ-INIZCTEOSA-N 2 2 371.489 1.778 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441055428 538304764 /nfs/dbraw/zinc/30/47/64/538304764.db2.gz NLQUVVJUPQHXGE-GOSISDBHSA-N 2 2 363.550 1.485 20 30 FDEDLP CCOC(=O)[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000472750955 538693254 /nfs/dbraw/zinc/69/32/54/538693254.db2.gz MBWHHDCFOXJPQU-HDICACEKSA-N 2 2 364.486 1.540 20 30 FDEDLP CCOC(=O)[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000472750955 538693259 /nfs/dbraw/zinc/69/32/59/538693259.db2.gz MBWHHDCFOXJPQU-HDICACEKSA-N 2 2 364.486 1.540 20 30 FDEDLP CCOC(=O)[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000472750955 538693260 /nfs/dbraw/zinc/69/32/60/538693260.db2.gz MBWHHDCFOXJPQU-HDICACEKSA-N 2 2 364.486 1.540 20 30 FDEDLP CCOC(=O)[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000472750955 538693271 /nfs/dbraw/zinc/69/32/71/538693271.db2.gz MBWHHDCFOXJPQU-HDICACEKSA-N 2 2 364.486 1.540 20 30 FDEDLP C[N@@H+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000563545684 546582618 /nfs/dbraw/zinc/58/26/18/546582618.db2.gz RMYIFQAGLIOHJJ-OAHLLOKOSA-N 2 2 354.376 1.341 20 30 FDEDLP C[N@H+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000563545684 546582619 /nfs/dbraw/zinc/58/26/19/546582619.db2.gz RMYIFQAGLIOHJJ-OAHLLOKOSA-N 2 2 354.376 1.341 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000564986744 547146520 /nfs/dbraw/zinc/14/65/20/547146520.db2.gz UTEBQNVWFIWDJO-FQEVSTJZSA-N 2 2 362.437 1.328 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000564986744 547146521 /nfs/dbraw/zinc/14/65/21/547146521.db2.gz UTEBQNVWFIWDJO-FQEVSTJZSA-N 2 2 362.437 1.328 20 30 FDEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000566562131 547807969 /nfs/dbraw/zinc/80/79/69/547807969.db2.gz IKAHELNCNCVUCV-GOSISDBHSA-N 2 2 372.513 1.617 20 30 FDEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000566562131 547807971 /nfs/dbraw/zinc/80/79/71/547807971.db2.gz IKAHELNCNCVUCV-GOSISDBHSA-N 2 2 372.513 1.617 20 30 FDEDLP COC[C@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[NH2+]1 ZINC000568490972 548557774 /nfs/dbraw/zinc/55/77/74/548557774.db2.gz PVFFEUPYRIYLPD-HXUWFJFHSA-N 2 2 371.485 1.154 20 30 FDEDLP C[C@@H]1C[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000572114523 549845091 /nfs/dbraw/zinc/84/50/91/549845091.db2.gz ZEKJJFIZESBTDO-MRXNPFEDSA-N 2 2 365.499 1.422 20 30 FDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000572114523 549845094 /nfs/dbraw/zinc/84/50/94/549845094.db2.gz ZEKJJFIZESBTDO-MRXNPFEDSA-N 2 2 365.499 1.422 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000580065126 550939322 /nfs/dbraw/zinc/93/93/22/550939322.db2.gz KMCKNSLZPMJDNA-GOSISDBHSA-N 2 2 354.454 1.857 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(C(F)(F)F)c1 ZINC000595887948 552628920 /nfs/dbraw/zinc/62/89/20/552628920.db2.gz JAZABZBJGZBLQG-OAHLLOKOSA-N 2 2 366.387 1.973 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(C(F)(F)F)c1 ZINC000595887948 552628922 /nfs/dbraw/zinc/62/89/22/552628922.db2.gz JAZABZBJGZBLQG-OAHLLOKOSA-N 2 2 366.387 1.973 20 30 FDEDLP Cc1cc(NCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)nc(C(C)C)[nH+]1 ZINC000600762278 553312567 /nfs/dbraw/zinc/31/25/67/553312567.db2.gz PZZUFLZPOSLBQZ-MRXNPFEDSA-N 2 2 361.490 1.981 20 30 FDEDLP C[C@@H]1C[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)N1CC#N ZINC000602858211 553652298 /nfs/dbraw/zinc/65/22/98/553652298.db2.gz QBBQVJFFJVYHIN-RTBURBONSA-N 2 2 369.513 1.249 20 30 FDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000603429606 553786476 /nfs/dbraw/zinc/78/64/76/553786476.db2.gz ZMEDIOBBBZMMGN-PZJWPPBQSA-N 2 2 354.498 1.932 20 30 FDEDLP COC[C@H](C)NC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273489082 674542223 /nfs/dbraw/zinc/54/22/23/674542223.db2.gz MVNIVKLYESEPDI-NSHDSACASA-N 2 2 368.279 1.887 20 30 FDEDLP CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000130860378 671798363 /nfs/dbraw/zinc/79/83/63/671798363.db2.gz DVLRPRFXWZUUQP-CVEARBPZSA-N 2 2 366.531 1.628 20 30 FDEDLP CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000130860378 671798365 /nfs/dbraw/zinc/79/83/65/671798365.db2.gz DVLRPRFXWZUUQP-CVEARBPZSA-N 2 2 366.531 1.628 20 30 FDEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000261726493 672659739 /nfs/dbraw/zinc/65/97/39/672659739.db2.gz IZOJKQWPZKXZRA-UHFFFAOYSA-N 2 2 363.893 1.265 20 30 FDEDLP C[NH+]=C(NCC1(CS(C)(=O)=O)CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261948369 672699731 /nfs/dbraw/zinc/69/97/31/672699731.db2.gz GPSLGGAHNJCWAK-GJZGRUSLSA-N 2 2 367.519 1.166 20 30 FDEDLP CN1CCC([NH+]2CCC(NC(=O)NCC[NH+]3CCSCC3)CC2)CC1 ZINC000329404736 676637416 /nfs/dbraw/zinc/63/74/16/676637416.db2.gz BNJVOQKGGPQKLP-UHFFFAOYSA-N 3 2 369.579 1.097 20 30 FDEDLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3[nH+]ccc4ccc(C#N)cc43)C[C@H]1C2 ZINC001167230882 771777226 /nfs/dbraw/zinc/77/72/26/771777226.db2.gz NNKZBVBHRKTOPX-HVSHLEFESA-N 2 2 362.433 1.941 20 30 FDEDLP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486396 772971866 /nfs/dbraw/zinc/97/18/66/772971866.db2.gz PUTRNTQLIOZEGI-PXNSSMCTSA-N 2 2 360.502 1.774 20 30 FDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345465 776031123 /nfs/dbraw/zinc/03/11/23/776031123.db2.gz IFTTWMJBJZXFFQ-IAGOWNOFSA-N 2 2 361.486 1.910 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367288 777936128 /nfs/dbraw/zinc/93/61/28/777936128.db2.gz NZURVIIQPBDZLI-FGTMMUONSA-N 2 2 358.486 1.170 20 30 FDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2C[N@H+](CCC)C3)C1 ZINC000891608146 778475753 /nfs/dbraw/zinc/47/57/53/778475753.db2.gz XCIMVHLRZMBJMU-QGZVFWFLSA-N 2 2 368.481 1.565 20 30 FDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2C[N@@H+](CCC)C3)C1 ZINC000891608146 778475758 /nfs/dbraw/zinc/47/57/58/778475758.db2.gz XCIMVHLRZMBJMU-QGZVFWFLSA-N 2 2 368.481 1.565 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2C[NH+](CCC)C3)C1 ZINC000891608146 778475767 /nfs/dbraw/zinc/47/57/67/778475767.db2.gz XCIMVHLRZMBJMU-QGZVFWFLSA-N 2 2 368.481 1.565 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2C[NH+](CCC)C3)C1 ZINC000891608146 778475786 /nfs/dbraw/zinc/47/57/86/778475786.db2.gz XCIMVHLRZMBJMU-QGZVFWFLSA-N 2 2 368.481 1.565 20 30 FDEDLP C=CCCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345029 788514919 /nfs/dbraw/zinc/51/49/19/788514919.db2.gz RLFCBDGGSMESPR-QGZVFWFLSA-N 2 2 350.507 1.038 20 30 FDEDLP C=CCCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345029 788514928 /nfs/dbraw/zinc/51/49/28/788514928.db2.gz RLFCBDGGSMESPR-QGZVFWFLSA-N 2 2 350.507 1.038 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccccc3C#N)C2)O1 ZINC001027464516 804350739 /nfs/dbraw/zinc/35/07/39/804350739.db2.gz NLWBXTONQIIWRG-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccccc3C#N)C2)O1 ZINC001027464516 804350748 /nfs/dbraw/zinc/35/07/48/804350748.db2.gz NLWBXTONQIIWRG-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)O1 ZINC001027464516 804350757 /nfs/dbraw/zinc/35/07/57/804350757.db2.gz NLWBXTONQIIWRG-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)O1 ZINC001027464516 804350766 /nfs/dbraw/zinc/35/07/66/804350766.db2.gz NLWBXTONQIIWRG-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP COCc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncn1 ZINC000328597378 819529493 /nfs/dbraw/zinc/52/94/93/819529493.db2.gz AERGOUODPALSRO-UHFFFAOYSA-N 2 2 362.478 1.508 20 30 FDEDLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328687173 819534753 /nfs/dbraw/zinc/53/47/53/819534753.db2.gz YWMQJWZWXONKSE-IRXDYDNUSA-N 2 2 361.490 1.404 20 30 FDEDLP [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328687173 819534761 /nfs/dbraw/zinc/53/47/61/819534761.db2.gz YWMQJWZWXONKSE-IRXDYDNUSA-N 2 2 361.490 1.404 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccc(C)n3)[C@@H]2CC)CC1 ZINC001087840143 822559022 /nfs/dbraw/zinc/55/90/22/822559022.db2.gz JQBRIIDBYLNRCV-RBUKOAKNSA-N 2 2 369.513 1.599 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccc(C)n3)[C@@H]2CC)CC1 ZINC001087840143 822559024 /nfs/dbraw/zinc/55/90/24/822559024.db2.gz JQBRIIDBYLNRCV-RBUKOAKNSA-N 2 2 369.513 1.599 20 30 FDEDLP CN1CC[NH+](CC2(C)CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CC2)CC1 ZINC000329581006 824901754 /nfs/dbraw/zinc/90/17/54/824901754.db2.gz AALYGDAUZOTIES-INIZCTEOSA-N 2 2 374.533 1.531 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088052850 825636957 /nfs/dbraw/zinc/63/69/57/825636957.db2.gz KXRGLFHUHISNLL-HSALFYBXSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088052850 825636962 /nfs/dbraw/zinc/63/69/62/825636962.db2.gz KXRGLFHUHISNLL-HSALFYBXSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088052850 825636965 /nfs/dbraw/zinc/63/69/65/825636965.db2.gz KXRGLFHUHISNLL-HSALFYBXSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088052850 825636968 /nfs/dbraw/zinc/63/69/68/825636968.db2.gz KXRGLFHUHISNLL-HSALFYBXSA-N 2 2 361.530 1.844 20 30 FDEDLP CN(C(=O)NCc1nc(C#N)cs1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000897282762 827696181 /nfs/dbraw/zinc/69/61/81/827696181.db2.gz UHVAFPUYKRVXTP-HNNXBMFYSA-N 2 2 362.503 1.325 20 30 FDEDLP CN(C(=O)NCc1nc(C#N)cs1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000897282762 827696191 /nfs/dbraw/zinc/69/61/91/827696191.db2.gz UHVAFPUYKRVXTP-HNNXBMFYSA-N 2 2 362.503 1.325 20 30 FDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)C1 ZINC000528418323 829396345 /nfs/dbraw/zinc/39/63/45/829396345.db2.gz UVCYEJZJUBNUOX-OALUTQOASA-N 2 2 358.486 1.010 20 30 FDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)C1 ZINC000528418323 829396355 /nfs/dbraw/zinc/39/63/55/829396355.db2.gz UVCYEJZJUBNUOX-OALUTQOASA-N 2 2 358.486 1.010 20 30 FDEDLP Cc1cc(C#N)cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000453704720 831028983 /nfs/dbraw/zinc/02/89/83/831028983.db2.gz DNANIBUBVHGHFE-UHFFFAOYSA-N 2 2 371.485 1.290 20 30 FDEDLP Cc1cc(C#N)cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000453704720 831028992 /nfs/dbraw/zinc/02/89/92/831028992.db2.gz DNANIBUBVHGHFE-UHFFFAOYSA-N 2 2 371.485 1.290 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CCN(c2ccccn2)CC1 ZINC000087562287 841605266 /nfs/dbraw/zinc/60/52/66/841605266.db2.gz IDPYYSSREMGCGZ-UHFFFAOYSA-N 2 2 370.505 1.215 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474576 843443333 /nfs/dbraw/zinc/44/33/33/843443333.db2.gz OTGINFKAYKHOHY-HZMVEIRTSA-N 2 2 362.499 1.011 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@H+]1C ZINC001083474576 843443341 /nfs/dbraw/zinc/44/33/41/843443341.db2.gz OTGINFKAYKHOHY-HZMVEIRTSA-N 2 2 362.499 1.011 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[NH+]1C ZINC001083474576 843443345 /nfs/dbraw/zinc/44/33/45/843443345.db2.gz OTGINFKAYKHOHY-HZMVEIRTSA-N 2 2 362.499 1.011 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[NH+]1C ZINC001083474576 843443351 /nfs/dbraw/zinc/44/33/51/843443351.db2.gz OTGINFKAYKHOHY-HZMVEIRTSA-N 2 2 362.499 1.011 20 30 FDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990743456 845493521 /nfs/dbraw/zinc/49/35/21/845493521.db2.gz RTRAGLUWFDQGNE-WIRSXHRWSA-N 2 2 352.482 1.900 20 30 FDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990743456 845493527 /nfs/dbraw/zinc/49/35/27/845493527.db2.gz RTRAGLUWFDQGNE-WIRSXHRWSA-N 2 2 352.482 1.900 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@@H]1O ZINC001083535881 846923901 /nfs/dbraw/zinc/92/39/01/846923901.db2.gz RTSSCYUXNGXTIR-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@@H]1O ZINC001083535881 846923905 /nfs/dbraw/zinc/92/39/05/846923905.db2.gz RTSSCYUXNGXTIR-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccc(C)cc2)C[C@@H]1O ZINC001083535881 846923914 /nfs/dbraw/zinc/92/39/14/846923914.db2.gz RTSSCYUXNGXTIR-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccc(C)cc2)C[C@@H]1O ZINC001083535881 846923921 /nfs/dbraw/zinc/92/39/21/846923921.db2.gz RTSSCYUXNGXTIR-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076365837 847966431 /nfs/dbraw/zinc/96/64/31/847966431.db2.gz PPXMELRADDGCQH-LEWJYISDSA-N 2 2 367.493 1.293 20 30 FDEDLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076365837 847966435 /nfs/dbraw/zinc/96/64/35/847966435.db2.gz PPXMELRADDGCQH-LEWJYISDSA-N 2 2 367.493 1.293 20 30 FDEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083559982 849563198 /nfs/dbraw/zinc/56/31/98/849563198.db2.gz LKHGBDHCLDUHEI-UXHICEINSA-N 2 2 367.493 1.075 20 30 FDEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083559982 849563205 /nfs/dbraw/zinc/56/32/05/849563205.db2.gz LKHGBDHCLDUHEI-UXHICEINSA-N 2 2 367.493 1.075 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904081297 850946603 /nfs/dbraw/zinc/94/66/03/850946603.db2.gz CIKVUUZQAYMGKV-INIZCTEOSA-N 2 2 356.426 1.931 20 30 FDEDLP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106874786 881861848 /nfs/dbraw/zinc/86/18/48/881861848.db2.gz SPSQINNFVUAWID-DGCLKSJQSA-N 2 2 355.280 1.555 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001089041337 866243429 /nfs/dbraw/zinc/24/34/29/866243429.db2.gz QCSGRNGYUBJMQG-ACJLOTCBSA-N 2 2 355.417 1.982 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001089041337 866243446 /nfs/dbraw/zinc/24/34/46/866243446.db2.gz QCSGRNGYUBJMQG-ACJLOTCBSA-N 2 2 355.417 1.982 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054516 885585458 /nfs/dbraw/zinc/58/54/58/885585458.db2.gz GDQYUUDIBFBWEG-KURKYZTESA-N 2 2 371.489 1.680 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054516 885585461 /nfs/dbraw/zinc/58/54/61/885585461.db2.gz GDQYUUDIBFBWEG-KURKYZTESA-N 2 2 371.489 1.680 20 30 FDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035369886 885922876 /nfs/dbraw/zinc/92/28/76/885922876.db2.gz BXSVLXBOLCWPQC-OTWHNJEPSA-N 2 2 365.518 1.126 20 30 FDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035369886 885922881 /nfs/dbraw/zinc/92/28/81/885922881.db2.gz BXSVLXBOLCWPQC-OTWHNJEPSA-N 2 2 365.518 1.126 20 30 FDEDLP C=CCNc1ncc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000676345615 886448600 /nfs/dbraw/zinc/44/86/00/886448600.db2.gz VCSVOUMTPUOXPZ-HNNXBMFYSA-N 2 2 363.531 1.982 20 30 FDEDLP C=CCNc1ncc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000676345615 886448610 /nfs/dbraw/zinc/44/86/10/886448610.db2.gz VCSVOUMTPUOXPZ-HNNXBMFYSA-N 2 2 363.531 1.982 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000373114327 887108984 /nfs/dbraw/zinc/10/89/84/887108984.db2.gz YMHZGNAZDGPTKP-ROUUACIJSA-N 2 2 372.517 1.292 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000373114327 887109001 /nfs/dbraw/zinc/10/90/01/887109001.db2.gz YMHZGNAZDGPTKP-ROUUACIJSA-N 2 2 372.517 1.292 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC)[NH+](C)C ZINC001212460687 893830692 /nfs/dbraw/zinc/83/06/92/893830692.db2.gz JPPYMCZMSMBFLT-KZNAEPCWSA-N 2 2 362.449 1.353 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC)[NH+](C)C ZINC001212460687 893830709 /nfs/dbraw/zinc/83/07/09/893830709.db2.gz JPPYMCZMSMBFLT-KZNAEPCWSA-N 2 2 362.449 1.353 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263555 902306853 /nfs/dbraw/zinc/30/68/53/902306853.db2.gz AYNSELKCPPHNKX-OKZBNKHCSA-N 2 2 358.486 1.960 20 30 FDEDLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21)C1CC1 ZINC001084406601 914626849 /nfs/dbraw/zinc/62/68/49/914626849.db2.gz UBFYABXVJCHJSG-NJYVYQBISA-N 2 2 351.494 1.911 20 30 FDEDLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21)C1CC1 ZINC001084406601 914626866 /nfs/dbraw/zinc/62/68/66/914626866.db2.gz UBFYABXVJCHJSG-NJYVYQBISA-N 2 2 351.494 1.911 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450385 914679140 /nfs/dbraw/zinc/67/91/40/914679140.db2.gz GYRPJHKPPIIYTO-HZPDHXFCSA-N 2 2 355.910 1.630 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450385 914679152 /nfs/dbraw/zinc/67/91/52/914679152.db2.gz GYRPJHKPPIIYTO-HZPDHXFCSA-N 2 2 355.910 1.630 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710494 903119814 /nfs/dbraw/zinc/11/98/14/903119814.db2.gz KKHRAZWOSBKTPR-JSNMRZPZSA-N 2 2 370.472 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710494 903119824 /nfs/dbraw/zinc/11/98/24/903119824.db2.gz KKHRAZWOSBKTPR-JSNMRZPZSA-N 2 2 370.472 1.976 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001079878281 903602302 /nfs/dbraw/zinc/60/23/02/903602302.db2.gz QAYLGRZRCUBUEN-AHRSYUTCSA-N 2 2 355.482 1.729 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001079878281 903602328 /nfs/dbraw/zinc/60/23/28/903602328.db2.gz QAYLGRZRCUBUEN-AHRSYUTCSA-N 2 2 355.482 1.729 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001079878281 903602342 /nfs/dbraw/zinc/60/23/42/903602342.db2.gz QAYLGRZRCUBUEN-AHRSYUTCSA-N 2 2 355.482 1.729 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001079878281 903602365 /nfs/dbraw/zinc/60/23/65/903602365.db2.gz QAYLGRZRCUBUEN-AHRSYUTCSA-N 2 2 355.482 1.729 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001079962525 903772060 /nfs/dbraw/zinc/77/20/60/903772060.db2.gz OIJHRKBTOVXNMG-FSPWUOQZSA-N 2 2 367.453 1.400 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001079962525 903772068 /nfs/dbraw/zinc/77/20/68/903772068.db2.gz OIJHRKBTOVXNMG-FSPWUOQZSA-N 2 2 367.453 1.400 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699553 904980424 /nfs/dbraw/zinc/98/04/24/904980424.db2.gz CKGXRZNISPBGEK-KZNAEPCWSA-N 2 2 361.490 1.572 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699553 904980425 /nfs/dbraw/zinc/98/04/25/904980425.db2.gz CKGXRZNISPBGEK-KZNAEPCWSA-N 2 2 361.490 1.572 20 30 FDEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699553 904980430 /nfs/dbraw/zinc/98/04/30/904980430.db2.gz CKGXRZNISPBGEK-KZNAEPCWSA-N 2 2 361.490 1.572 20 30 FDEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699553 904980433 /nfs/dbraw/zinc/98/04/33/904980433.db2.gz CKGXRZNISPBGEK-KZNAEPCWSA-N 2 2 361.490 1.572 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(F)c3)C[C@H]2C)CC1 ZINC001080998263 906975407 /nfs/dbraw/zinc/97/54/07/906975407.db2.gz WXRHANFAAIGUTL-DNVCBOLYSA-N 2 2 358.461 1.502 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cncc(F)c3)C[C@H]2C)CC1 ZINC001080998263 906975411 /nfs/dbraw/zinc/97/54/11/906975411.db2.gz WXRHANFAAIGUTL-DNVCBOLYSA-N 2 2 358.461 1.502 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077774425 907810502 /nfs/dbraw/zinc/81/05/02/907810502.db2.gz ZZJNEPRDTUPASV-NSISKUIASA-N 2 2 370.497 1.484 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077774425 907810517 /nfs/dbraw/zinc/81/05/17/907810517.db2.gz ZZJNEPRDTUPASV-NSISKUIASA-N 2 2 370.497 1.484 20 30 FDEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077776594 907844546 /nfs/dbraw/zinc/84/45/46/907844546.db2.gz WUIBKNOWZCPIDF-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077776594 907844558 /nfs/dbraw/zinc/84/45/58/907844558.db2.gz WUIBKNOWZCPIDF-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077776594 907844575 /nfs/dbraw/zinc/84/45/75/907844575.db2.gz WUIBKNOWZCPIDF-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077776594 907844591 /nfs/dbraw/zinc/84/45/91/907844591.db2.gz WUIBKNOWZCPIDF-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)C1=O ZINC001082594787 908861039 /nfs/dbraw/zinc/86/10/39/908861039.db2.gz KNSHDDOTTWBVIL-MZMPZRCHSA-N 2 2 367.453 1.400 20 30 FDEDLP C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC000997842179 909808031 /nfs/dbraw/zinc/80/80/31/909808031.db2.gz WVRRSGSMLCZFIY-ZACQAIPSSA-N 2 2 371.485 1.128 20 30 FDEDLP C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC000997842179 909808050 /nfs/dbraw/zinc/80/80/50/909808050.db2.gz WVRRSGSMLCZFIY-ZACQAIPSSA-N 2 2 371.485 1.128 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532859 915226828 /nfs/dbraw/zinc/22/68/28/915226828.db2.gz SAZBHAJTAMRABG-YLADIXGZSA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532859 915226839 /nfs/dbraw/zinc/22/68/39/915226839.db2.gz SAZBHAJTAMRABG-YLADIXGZSA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532859 915226845 /nfs/dbraw/zinc/22/68/45/915226845.db2.gz SAZBHAJTAMRABG-YLADIXGZSA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532859 915226853 /nfs/dbraw/zinc/22/68/53/915226853.db2.gz SAZBHAJTAMRABG-YLADIXGZSA-N 2 2 351.878 1.135 20 30 FDEDLP O=C(N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084777926 917054936 /nfs/dbraw/zinc/05/49/36/917054936.db2.gz XHTAHFNSZBPEIB-UYAOXDASSA-N 2 2 367.468 1.806 20 30 FDEDLP O=C(N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084777926 917054946 /nfs/dbraw/zinc/05/49/46/917054946.db2.gz XHTAHFNSZBPEIB-UYAOXDASSA-N 2 2 367.468 1.806 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nonc4C)[C@H]3C2)CC1 ZINC001085100610 920914144 /nfs/dbraw/zinc/91/41/44/920914144.db2.gz QDHGHGQDFNSDPG-APWZRJJASA-N 2 2 371.485 1.146 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nonc4C)[C@H]3C2)CC1 ZINC001085100610 920914146 /nfs/dbraw/zinc/91/41/46/920914146.db2.gz QDHGHGQDFNSDPG-APWZRJJASA-N 2 2 371.485 1.146 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604718 924968859 /nfs/dbraw/zinc/96/88/59/924968859.db2.gz QDJQZHYEQBZPLL-ATZDWAIDSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604718 924968861 /nfs/dbraw/zinc/96/88/61/924968861.db2.gz QDJQZHYEQBZPLL-ATZDWAIDSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085604718 924968865 /nfs/dbraw/zinc/96/88/65/924968865.db2.gz QDJQZHYEQBZPLL-ATZDWAIDSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085604718 924968869 /nfs/dbraw/zinc/96/88/69/924968869.db2.gz QDJQZHYEQBZPLL-ATZDWAIDSA-N 2 2 370.497 1.940 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737467 925121162 /nfs/dbraw/zinc/12/11/62/925121162.db2.gz OHNWMLUZPHSXQB-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737467 925121185 /nfs/dbraw/zinc/12/11/85/925121185.db2.gz OHNWMLUZPHSXQB-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000740739135 925430347 /nfs/dbraw/zinc/43/03/47/925430347.db2.gz WSCLZBSTWQXHLH-UHFFFAOYSA-N 2 2 367.409 1.998 20 30 FDEDLP N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072179 928261788 /nfs/dbraw/zinc/26/17/88/928261788.db2.gz KFCYWIREOFZYQO-SECBINFHSA-N 2 2 372.772 1.716 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129917065 938553917 /nfs/dbraw/zinc/55/39/17/938553917.db2.gz KECZODZKPREDFW-BBWFWOEESA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001130622164 939920802 /nfs/dbraw/zinc/92/08/02/939920802.db2.gz UKVJMPMKUGTMDM-VDZJLULYSA-N 2 2 368.485 1.339 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130637731 939939556 /nfs/dbraw/zinc/93/95/56/939939556.db2.gz JHIHMFXDGFZMAZ-FUHWJXTLSA-N 2 2 356.474 1.557 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001130672095 939971023 /nfs/dbraw/zinc/97/10/23/939971023.db2.gz GIDREDYQOCEBOK-RLFYNMQTSA-N 2 2 368.485 1.723 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130712946 939999896 /nfs/dbraw/zinc/99/98/96/939999896.db2.gz UEJVQAZUWBDRQZ-GOEBONIOSA-N 2 2 354.458 1.028 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130721834 940026019 /nfs/dbraw/zinc/02/60/19/940026019.db2.gz RMKXOHDQXHPFOI-PKOBYXMFSA-N 2 2 370.501 1.637 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131133034 940512729 /nfs/dbraw/zinc/51/27/29/940512729.db2.gz YMGSZMCXPPSWQQ-IAGOWNOFSA-N 2 2 356.474 1.557 20 30 FDEDLP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131572112 940748217 /nfs/dbraw/zinc/74/82/17/940748217.db2.gz DHWZZOFJHNRKEG-MJGOQNOKSA-N 2 2 362.474 1.141 20 30 FDEDLP C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000823282345 945640082 /nfs/dbraw/zinc/64/00/82/945640082.db2.gz OFXIYUXNBOHREZ-GOSISDBHSA-N 2 2 355.482 1.987 20 30 FDEDLP C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000823282345 945640088 /nfs/dbraw/zinc/64/00/88/945640088.db2.gz OFXIYUXNBOHREZ-GOSISDBHSA-N 2 2 355.482 1.987 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001090872654 947503347 /nfs/dbraw/zinc/50/33/47/947503347.db2.gz QDCAKIWVWQXBAQ-RBUKOAKNSA-N 2 2 352.438 1.568 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1ccc(OC)cc1 ZINC001090872654 947503355 /nfs/dbraw/zinc/50/33/55/947503355.db2.gz QDCAKIWVWQXBAQ-RBUKOAKNSA-N 2 2 352.438 1.568 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001091565696 952093345 /nfs/dbraw/zinc/09/33/45/952093345.db2.gz VNUPOTPJPNRNJL-URVUXULASA-N 2 2 367.493 1.149 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001091565696 952093356 /nfs/dbraw/zinc/09/33/56/952093356.db2.gz VNUPOTPJPNRNJL-URVUXULASA-N 2 2 367.493 1.149 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001091565696 952093368 /nfs/dbraw/zinc/09/33/68/952093368.db2.gz VNUPOTPJPNRNJL-URVUXULASA-N 2 2 367.493 1.149 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001091565696 952093379 /nfs/dbraw/zinc/09/33/79/952093379.db2.gz VNUPOTPJPNRNJL-URVUXULASA-N 2 2 367.493 1.149 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@@]2(C)C1 ZINC001091750157 952789745 /nfs/dbraw/zinc/78/97/45/952789745.db2.gz ZISSRFKKTBOQTC-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3coc(C)n3)C[C@@]2(C)C1 ZINC001091750157 952789749 /nfs/dbraw/zinc/78/97/49/952789749.db2.gz ZISSRFKKTBOQTC-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3coc(C)n3)C[C@@]2(C)C1 ZINC001091750157 952789755 /nfs/dbraw/zinc/78/97/55/952789755.db2.gz ZISSRFKKTBOQTC-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3coc(C)n3)C[C@@]2(C)C1 ZINC001091750157 952789758 /nfs/dbraw/zinc/78/97/58/952789758.db2.gz ZISSRFKKTBOQTC-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC001092052820 954147245 /nfs/dbraw/zinc/14/72/45/954147245.db2.gz OFEGFBILYHSWPP-UZLBHIALSA-N 2 2 367.428 1.943 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001092052820 954147253 /nfs/dbraw/zinc/14/72/53/954147253.db2.gz OFEGFBILYHSWPP-UZLBHIALSA-N 2 2 367.428 1.943 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1ccc(C#N)cn1 ZINC001092314456 954808876 /nfs/dbraw/zinc/80/88/76/954808876.db2.gz JBNMHFXSCQJPME-HZPDHXFCSA-N 2 2 367.457 1.045 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001092688865 956194520 /nfs/dbraw/zinc/19/45/20/956194520.db2.gz DQBUNCLNJWZQPV-OLMNPRSZSA-N 2 2 358.486 1.573 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001092688865 956194529 /nfs/dbraw/zinc/19/45/29/956194529.db2.gz DQBUNCLNJWZQPV-OLMNPRSZSA-N 2 2 358.486 1.573 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001092688865 956194535 /nfs/dbraw/zinc/19/45/35/956194535.db2.gz DQBUNCLNJWZQPV-OLMNPRSZSA-N 2 2 358.486 1.573 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001092688865 956194546 /nfs/dbraw/zinc/19/45/46/956194546.db2.gz DQBUNCLNJWZQPV-OLMNPRSZSA-N 2 2 358.486 1.573 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001093471730 958235635 /nfs/dbraw/zinc/23/56/35/958235635.db2.gz GKKXGFADZWSWRP-JYBIWHBTSA-N 2 2 360.502 1.803 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001093479503 958298918 /nfs/dbraw/zinc/29/89/18/958298918.db2.gz KHFAOQBTWRMHKN-XYVMCAHJSA-N 2 2 366.893 1.602 20 30 FDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001094254916 960227446 /nfs/dbraw/zinc/22/74/46/960227446.db2.gz WQXRDWJKNYFFMK-RHSMWYFYSA-N 2 2 355.417 1.778 20 30 FDEDLP C[N@@H+]1CCc2c(C#N)c(Nc3cnn(CC[NH+]4CCOCC4)c3)sc2C1 ZINC001174489669 962858256 /nfs/dbraw/zinc/85/82/56/962858256.db2.gz NIFSMMZDYFVKJN-UHFFFAOYSA-N 2 2 372.498 1.880 20 30 FDEDLP C[N@H+]1CCc2c(C#N)c(Nc3cnn(CC[NH+]4CCOCC4)c3)sc2C1 ZINC001174489669 962858277 /nfs/dbraw/zinc/85/82/77/962858277.db2.gz NIFSMMZDYFVKJN-UHFFFAOYSA-N 2 2 372.498 1.880 20 30 FDEDLP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360092 963165823 /nfs/dbraw/zinc/16/58/23/963165823.db2.gz YEZCZWQSYVPCJA-BZUAXINKSA-N 2 2 361.490 1.090 20 30 FDEDLP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190230043 967646035 /nfs/dbraw/zinc/64/60/35/967646035.db2.gz RMUKKTYOZYVUMQ-CEXWTWQISA-N 2 2 370.497 1.336 20 30 FDEDLP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190230043 967646037 /nfs/dbraw/zinc/64/60/37/967646037.db2.gz RMUKKTYOZYVUMQ-CEXWTWQISA-N 2 2 370.497 1.336 20 30 FDEDLP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852869709 967675986 /nfs/dbraw/zinc/67/59/86/967675986.db2.gz DYKGBXCRCLMTHA-FXAWDEMLSA-N 2 2 355.482 1.395 20 30 FDEDLP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852869709 967675991 /nfs/dbraw/zinc/67/59/91/967675991.db2.gz DYKGBXCRCLMTHA-FXAWDEMLSA-N 2 2 355.482 1.395 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000867955800 977138410 /nfs/dbraw/zinc/13/84/10/977138410.db2.gz HDUSDGZBOGXZJX-AQNXPRMDSA-N 2 2 368.481 1.505 20 30 FDEDLP C#C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000852059156 979314193 /nfs/dbraw/zinc/31/41/93/979314193.db2.gz WLPVIUXFQKAECP-IBGZPJMESA-N 2 2 362.518 1.273 20 30 FDEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372042 982101451 /nfs/dbraw/zinc/10/14/51/982101451.db2.gz JTTUSZVBWFCOCE-HXUWFJFHSA-N 2 2 357.498 1.585 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000884199803 982975683 /nfs/dbraw/zinc/97/56/83/982975683.db2.gz KJISWCWCAICSKB-GNZRSQJKSA-N 2 2 354.454 1.597 20 30 FDEDLP C=CCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000886761952 986563577 /nfs/dbraw/zinc/56/35/77/986563577.db2.gz OBSWYBPZZHWQJC-UHFFFAOYSA-N 2 2 357.498 1.734 20 30 FDEDLP C=CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000886772094 986575977 /nfs/dbraw/zinc/57/59/77/986575977.db2.gz SCWJTUSVIURDFY-QGZVFWFLSA-N 2 2 358.486 1.522 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCOCC1 ZINC001095556526 993446181 /nfs/dbraw/zinc/44/61/81/993446181.db2.gz WTBLOIAUMIEKHK-FYQPLNBISA-N 2 2 359.514 1.622 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCOCC1 ZINC001095556526 993446202 /nfs/dbraw/zinc/44/62/02/993446202.db2.gz WTBLOIAUMIEKHK-FYQPLNBISA-N 2 2 359.514 1.622 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCOCC1 ZINC001095556526 993446219 /nfs/dbraw/zinc/44/62/19/993446219.db2.gz WTBLOIAUMIEKHK-FYQPLNBISA-N 2 2 359.514 1.622 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCOCC1 ZINC001095556526 993446227 /nfs/dbraw/zinc/44/62/27/993446227.db2.gz WTBLOIAUMIEKHK-FYQPLNBISA-N 2 2 359.514 1.622 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1csc(C)n1 ZINC001095556532 993446427 /nfs/dbraw/zinc/44/64/27/993446427.db2.gz XAOHXEUENUBCHK-XWSJACJDSA-N 2 2 372.538 1.813 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1csc(C)n1 ZINC001095556532 993446443 /nfs/dbraw/zinc/44/64/43/993446443.db2.gz XAOHXEUENUBCHK-XWSJACJDSA-N 2 2 372.538 1.813 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1csc(C)n1 ZINC001095556532 993446462 /nfs/dbraw/zinc/44/64/62/993446462.db2.gz XAOHXEUENUBCHK-XWSJACJDSA-N 2 2 372.538 1.813 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1csc(C)n1 ZINC001095556532 993446486 /nfs/dbraw/zinc/44/64/86/993446486.db2.gz XAOHXEUENUBCHK-XWSJACJDSA-N 2 2 372.538 1.813 20 30 FDEDLP COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1OC ZINC000264084312 997398364 /nfs/dbraw/zinc/39/83/64/997398364.db2.gz JEDBXBOODYYGON-MRXNPFEDSA-N 2 2 363.506 1.702 20 30 FDEDLP C[NH+]=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1ccco1 ZINC000103338134 998141605 /nfs/dbraw/zinc/14/16/05/998141605.db2.gz UWPQUXYAWDVUJM-UHFFFAOYSA-N 2 2 370.457 1.079 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266937997 999270651 /nfs/dbraw/zinc/27/06/51/999270651.db2.gz QLBMDTAOPGHHJU-QGZVFWFLSA-N 2 2 360.502 1.440 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CC#N)C(F)(F)F)CC2)CC1 ZINC000932907402 1005238974 /nfs/dbraw/zinc/23/89/74/1005238974.db2.gz DHPOJLXLAYYOPT-CQSZACIVSA-N 2 2 361.412 1.689 20 30 FDEDLP C=CCCC[N@@H+](CC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000934646081 1005771058 /nfs/dbraw/zinc/77/10/58/1005771058.db2.gz HQOPIVOLIKYHID-UHFFFAOYSA-N 2 2 371.489 1.300 20 30 FDEDLP C=CCCC[N@H+](CC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000934646081 1005771060 /nfs/dbraw/zinc/77/10/60/1005771060.db2.gz HQOPIVOLIKYHID-UHFFFAOYSA-N 2 2 371.489 1.300 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512288091 538971086 /nfs/dbraw/zinc/97/10/86/538971086.db2.gz YGVVPGJURQRGSZ-UWJYYQICSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512288091 538971087 /nfs/dbraw/zinc/97/10/87/538971087.db2.gz YGVVPGJURQRGSZ-UWJYYQICSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512288091 538971089 /nfs/dbraw/zinc/97/10/89/538971089.db2.gz YGVVPGJURQRGSZ-UWJYYQICSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512288091 538971090 /nfs/dbraw/zinc/97/10/90/538971090.db2.gz YGVVPGJURQRGSZ-UWJYYQICSA-N 2 2 370.497 1.985 20 30 FDEDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1F ZINC000512631194 538977712 /nfs/dbraw/zinc/97/77/12/538977712.db2.gz PUVOUXUFFOGTRW-ZBFHGGJFSA-N 2 2 360.433 1.281 20 30 FDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268187756 180019826 /nfs/dbraw/zinc/01/98/26/180019826.db2.gz UZFCGIQAVXAOEJ-OXQOHEQNSA-N 2 2 367.497 1.868 20 30 FDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268187756 180019827 /nfs/dbraw/zinc/01/98/27/180019827.db2.gz UZFCGIQAVXAOEJ-OXQOHEQNSA-N 2 2 367.497 1.868 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000530230447 539915219 /nfs/dbraw/zinc/91/52/19/539915219.db2.gz GCPJOHAATPNICT-GOSISDBHSA-N 2 2 352.438 1.952 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000101554868 172334595 /nfs/dbraw/zinc/33/45/95/172334595.db2.gz SNKMPJBKVHQFHD-QGZVFWFLSA-N 2 2 355.486 1.233 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000101558584 172334901 /nfs/dbraw/zinc/33/49/01/172334901.db2.gz NLSOIRFHMLDDNG-INIZCTEOSA-N 2 2 373.476 1.372 20 30 FDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000103492571 172368351 /nfs/dbraw/zinc/36/83/51/172368351.db2.gz HMNLLNWMDXCRPP-UHFFFAOYSA-N 2 2 371.485 1.373 20 30 FDEDLP Cc1[nH+]ccn1CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000299685417 259016374 /nfs/dbraw/zinc/01/63/74/259016374.db2.gz YTEHAKLBLTWEBL-UHFFFAOYSA-N 2 2 366.469 1.981 20 30 FDEDLP Cc1[nH+]ccn1CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000299685417 259016375 /nfs/dbraw/zinc/01/63/75/259016375.db2.gz YTEHAKLBLTWEBL-UHFFFAOYSA-N 2 2 366.469 1.981 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329075886 259075634 /nfs/dbraw/zinc/07/56/34/259075634.db2.gz AOUBJUQULVQNIT-DLBZAZTESA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276072 260331302 /nfs/dbraw/zinc/33/13/02/260331302.db2.gz FGELPOLXTNKONJ-DOTOQJQBSA-N 2 2 356.470 1.610 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276072 260331303 /nfs/dbraw/zinc/33/13/03/260331303.db2.gz FGELPOLXTNKONJ-DOTOQJQBSA-N 2 2 356.470 1.610 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000057140109 522010696 /nfs/dbraw/zinc/01/06/96/522010696.db2.gz MOYOFTSEXJWJKG-UHFFFAOYSA-N 2 2 365.481 1.324 20 30 FDEDLP Cc1[nH+]ccn1CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000139165701 524276639 /nfs/dbraw/zinc/27/66/39/524276639.db2.gz HEHKYDJNVQVSGF-UHFFFAOYSA-N 2 2 350.426 1.851 20 30 FDEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201004 524424449 /nfs/dbraw/zinc/42/44/49/524424449.db2.gz ZALKWYPSYHYAMG-HNNXBMFYSA-N 2 2 362.499 1.993 20 30 FDEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201004 524424460 /nfs/dbraw/zinc/42/44/60/524424460.db2.gz ZALKWYPSYHYAMG-HNNXBMFYSA-N 2 2 362.499 1.993 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000175820432 525014551 /nfs/dbraw/zinc/01/45/51/525014551.db2.gz FFLUYBOYVJPZKA-UHFFFAOYSA-N 2 2 359.474 1.262 20 30 FDEDLP N#Cc1ccccc1N1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000101554249 525231852 /nfs/dbraw/zinc/23/18/52/525231852.db2.gz LJPYZOJQGOKIBK-UHFFFAOYSA-N 2 2 367.497 1.423 20 30 FDEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178905635 525503076 /nfs/dbraw/zinc/50/30/76/525503076.db2.gz PEBHGFLXCLFUDB-SJLPKXTDSA-N 2 2 372.469 1.000 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)CC1 ZINC000118835173 525557277 /nfs/dbraw/zinc/55/72/77/525557277.db2.gz OOJFSPVFOYMCBY-DOTOQJQBSA-N 2 2 373.501 1.807 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)CC1 ZINC000118835173 525557284 /nfs/dbraw/zinc/55/72/84/525557284.db2.gz OOJFSPVFOYMCBY-DOTOQJQBSA-N 2 2 373.501 1.807 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154545729 525567743 /nfs/dbraw/zinc/56/77/43/525567743.db2.gz FZFDTOYDNCQPDD-QYZOEREBSA-N 2 2 363.550 1.485 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000171566072 526039714 /nfs/dbraw/zinc/03/97/14/526039714.db2.gz GPQUBKPLHJOIKQ-UHFFFAOYSA-N 2 2 356.514 1.814 20 30 FDEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246947042 537056509 /nfs/dbraw/zinc/05/65/09/537056509.db2.gz QZODQRHKUBGRCJ-AZUAARDMSA-N 2 2 360.498 1.809 20 30 FDEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246947042 537056510 /nfs/dbraw/zinc/05/65/10/537056510.db2.gz QZODQRHKUBGRCJ-AZUAARDMSA-N 2 2 360.498 1.809 20 30 FDEDLP N#CCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000293110743 537349135 /nfs/dbraw/zinc/34/91/35/537349135.db2.gz ONTZUGLKMVWNPN-IBGZPJMESA-N 2 2 357.502 1.846 20 30 FDEDLP N#CCCOCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000293110743 537349143 /nfs/dbraw/zinc/34/91/43/537349143.db2.gz ONTZUGLKMVWNPN-IBGZPJMESA-N 2 2 357.502 1.846 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000376092528 537833474 /nfs/dbraw/zinc/83/34/74/537833474.db2.gz FSQHKFCPNNJSQJ-OALUTQOASA-N 2 2 365.481 1.525 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000376092528 537833480 /nfs/dbraw/zinc/83/34/80/537833480.db2.gz FSQHKFCPNNJSQJ-OALUTQOASA-N 2 2 365.481 1.525 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000377676322 537994679 /nfs/dbraw/zinc/99/46/79/537994679.db2.gz PXQZRTMBSUNABN-SFHVURJKSA-N 2 2 352.486 1.808 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000377676322 537994687 /nfs/dbraw/zinc/99/46/87/537994687.db2.gz PXQZRTMBSUNABN-SFHVURJKSA-N 2 2 352.486 1.808 20 30 FDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000424192935 538251612 /nfs/dbraw/zinc/25/16/12/538251612.db2.gz QEEOEQPLIQVQNT-MRXNPFEDSA-N 2 2 374.876 1.653 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000560932697 545633600 /nfs/dbraw/zinc/63/36/00/545633600.db2.gz LLPLMYPOXIXDPY-UYAOXDASSA-N 2 2 361.486 1.439 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000560932697 545633604 /nfs/dbraw/zinc/63/36/04/545633604.db2.gz LLPLMYPOXIXDPY-UYAOXDASSA-N 2 2 361.486 1.439 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CC[NH+](C3CCCC3)CC2)nc1 ZINC000567684095 548211397 /nfs/dbraw/zinc/21/13/97/548211397.db2.gz BJHANHLYXNMBTO-UHFFFAOYSA-N 2 2 362.499 1.724 20 30 FDEDLP C[C@@H](C(=O)NC(C)(C)C)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000568967794 548748751 /nfs/dbraw/zinc/74/87/51/548748751.db2.gz KOKYQGUXRDVACV-HOTGVXAUSA-N 2 2 366.550 1.460 20 30 FDEDLP C[C@@H](C(=O)NC(C)(C)C)[NH+](C)CC#CC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000568967794 548748752 /nfs/dbraw/zinc/74/87/52/548748752.db2.gz KOKYQGUXRDVACV-HOTGVXAUSA-N 2 2 366.550 1.460 20 30 FDEDLP N#Cc1csc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC000570370399 549254572 /nfs/dbraw/zinc/25/45/72/549254572.db2.gz QMVYKACAGZFIFI-UHFFFAOYSA-N 2 2 361.515 1.829 20 30 FDEDLP CC(C)[NH+]1CCN(c2cccc(NC[C@H](O)C[N@H+](C)CCC#N)c2)CC1 ZINC000573480345 550147924 /nfs/dbraw/zinc/14/79/24/550147924.db2.gz LUYSTGJWWGXRFP-FQEVSTJZSA-N 2 2 359.518 1.835 20 30 FDEDLP CC(C)[NH+]1CCN(c2cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c2)CC1 ZINC000573480345 550147927 /nfs/dbraw/zinc/14/79/27/550147927.db2.gz LUYSTGJWWGXRFP-FQEVSTJZSA-N 2 2 359.518 1.835 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000575916354 550490338 /nfs/dbraw/zinc/49/03/38/550490338.db2.gz DJPUAJGCYVHGKN-UHFFFAOYSA-N 2 2 358.467 1.697 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579650432 550895747 /nfs/dbraw/zinc/89/57/47/550895747.db2.gz BIRLGJWKCRCVSA-WDSOQIARSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579650432 550895748 /nfs/dbraw/zinc/89/57/48/550895748.db2.gz BIRLGJWKCRCVSA-WDSOQIARSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579650432 550895750 /nfs/dbraw/zinc/89/57/50/550895750.db2.gz BIRLGJWKCRCVSA-WDSOQIARSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579650432 550895751 /nfs/dbraw/zinc/89/57/51/550895751.db2.gz BIRLGJWKCRCVSA-WDSOQIARSA-N 2 2 370.497 1.841 20 30 FDEDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000581632593 551114511 /nfs/dbraw/zinc/11/45/11/551114511.db2.gz ZXRVJBUCBXHJME-HZPDHXFCSA-N 2 2 364.515 1.685 20 30 FDEDLP C=CCCCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000584183570 551460626 /nfs/dbraw/zinc/46/06/26/551460626.db2.gz NOGWUUDNGPDNRY-UHFFFAOYSA-N 2 2 364.534 1.524 20 30 FDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005084 551756393 /nfs/dbraw/zinc/75/63/93/551756393.db2.gz JSIAWNYQCVUYHS-VQTJNVASSA-N 2 2 366.465 1.899 20 30 FDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005084 551756394 /nfs/dbraw/zinc/75/63/94/551756394.db2.gz JSIAWNYQCVUYHS-VQTJNVASSA-N 2 2 366.465 1.899 20 30 FDEDLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005084 551756395 /nfs/dbraw/zinc/75/63/95/551756395.db2.gz JSIAWNYQCVUYHS-VQTJNVASSA-N 2 2 366.465 1.899 20 30 FDEDLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005084 551756396 /nfs/dbraw/zinc/75/63/96/551756396.db2.gz JSIAWNYQCVUYHS-VQTJNVASSA-N 2 2 366.465 1.899 20 30 FDEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000594513257 552327301 /nfs/dbraw/zinc/32/73/01/552327301.db2.gz LXTQPDKTAPOLQS-IBGZPJMESA-N 2 2 370.497 1.510 20 30 FDEDLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000595510785 552575708 /nfs/dbraw/zinc/57/57/08/552575708.db2.gz DXHXDXGPXPJPPC-GOSISDBHSA-N 2 2 361.486 1.370 20 30 FDEDLP CN(C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1(C#N)CCCCC1 ZINC000595904774 552631457 /nfs/dbraw/zinc/63/14/57/552631457.db2.gz KRHPDNUGVZGAAA-QGZVFWFLSA-N 2 2 350.507 1.714 20 30 FDEDLP CN(C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1(C#N)CCCCC1 ZINC000595904774 552631458 /nfs/dbraw/zinc/63/14/58/552631458.db2.gz KRHPDNUGVZGAAA-QGZVFWFLSA-N 2 2 350.507 1.714 20 30 FDEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600724115 553307519 /nfs/dbraw/zinc/30/75/19/553307519.db2.gz XHVAAENVHYTGBQ-MRXNPFEDSA-N 2 2 353.507 1.537 20 30 FDEDLP Cc1cc(NCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)nc(C(C)C)[nH+]1 ZINC000600762274 553312522 /nfs/dbraw/zinc/31/25/22/553312522.db2.gz PZZUFLZPOSLBQZ-INIZCTEOSA-N 2 2 361.490 1.981 20 30 FDEDLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600888275 553325144 /nfs/dbraw/zinc/32/51/44/553325144.db2.gz WXGVADSNBCHEDU-GOSISDBHSA-N 2 2 354.454 1.190 20 30 FDEDLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600888275 553325145 /nfs/dbraw/zinc/32/51/45/553325145.db2.gz WXGVADSNBCHEDU-GOSISDBHSA-N 2 2 354.454 1.190 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000602081724 553515498 /nfs/dbraw/zinc/51/54/98/553515498.db2.gz AIUZOJASVYNLLS-IBGZPJMESA-N 2 2 358.486 1.963 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000602081724 553515500 /nfs/dbraw/zinc/51/55/00/553515500.db2.gz AIUZOJASVYNLLS-IBGZPJMESA-N 2 2 358.486 1.963 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000602527264 553599145 /nfs/dbraw/zinc/59/91/45/553599145.db2.gz NRZYORYDXNSAPK-DLBZAZTESA-N 2 2 350.507 1.618 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000602527264 553599147 /nfs/dbraw/zinc/59/91/47/553599147.db2.gz NRZYORYDXNSAPK-DLBZAZTESA-N 2 2 350.507 1.618 20 30 FDEDLP N#CCCN1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000602751894 553632000 /nfs/dbraw/zinc/63/20/00/553632000.db2.gz LXBNJXZQFOGKRF-UHFFFAOYSA-N 2 2 358.486 1.429 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)CC1 ZINC000328962081 676613944 /nfs/dbraw/zinc/61/39/44/676613944.db2.gz KZXMCYCHVDZHLE-RCCFBDPRSA-N 2 2 353.507 1.943 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)CC1 ZINC000328962081 676613945 /nfs/dbraw/zinc/61/39/45/676613945.db2.gz KZXMCYCHVDZHLE-RCCFBDPRSA-N 2 2 353.507 1.943 20 30 FDEDLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969704130 770703382 /nfs/dbraw/zinc/70/33/82/770703382.db2.gz LOQBNTUGZWWPMH-PMUMKWKESA-N 2 2 358.461 1.974 20 30 FDEDLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969704130 770703393 /nfs/dbraw/zinc/70/33/93/770703393.db2.gz LOQBNTUGZWWPMH-PMUMKWKESA-N 2 2 358.461 1.974 20 30 FDEDLP C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104729173 790408138 /nfs/dbraw/zinc/40/81/38/790408138.db2.gz PQYFTRIFFOLYEO-DGCLKSJQSA-N 2 2 355.280 1.935 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104364039 777492675 /nfs/dbraw/zinc/49/26/75/777492675.db2.gz UHWUZVMEVCBCRB-FGTMMUONSA-N 2 2 358.486 1.170 20 30 FDEDLP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261971674 779763129 /nfs/dbraw/zinc/76/31/29/779763129.db2.gz MYSJYJUZOJJLNZ-QZTJIDSGSA-N 2 2 363.550 1.627 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)C2=O)cc1 ZINC000364274803 784948993 /nfs/dbraw/zinc/94/89/93/784948993.db2.gz YDGHOBGWEYCWFY-NQYYFHDYSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)C2=O)cc1 ZINC000364274803 784949000 /nfs/dbraw/zinc/94/90/00/784949000.db2.gz YDGHOBGWEYCWFY-NQYYFHDYSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)cc1 ZINC000364274803 784949005 /nfs/dbraw/zinc/94/90/05/784949005.db2.gz YDGHOBGWEYCWFY-NQYYFHDYSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)cc1 ZINC000364274803 784949007 /nfs/dbraw/zinc/94/90/07/784949007.db2.gz YDGHOBGWEYCWFY-NQYYFHDYSA-N 2 2 364.449 1.606 20 30 FDEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024571943 785303532 /nfs/dbraw/zinc/30/35/32/785303532.db2.gz MJUUHFNLMAOYRU-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024571943 785303543 /nfs/dbraw/zinc/30/35/43/785303543.db2.gz MJUUHFNLMAOYRU-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101423 795295158 /nfs/dbraw/zinc/29/51/58/795295158.db2.gz KJNGVEIHRZZXMT-TZMCWYRMSA-N 2 2 355.280 1.866 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001087430700 807135487 /nfs/dbraw/zinc/13/54/87/807135487.db2.gz CVAGCJMHIRXTOU-VBSBHUPXSA-N 2 2 355.482 1.313 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001087430700 807135488 /nfs/dbraw/zinc/13/54/88/807135488.db2.gz CVAGCJMHIRXTOU-VBSBHUPXSA-N 2 2 355.482 1.313 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001087430700 807135490 /nfs/dbraw/zinc/13/54/90/807135490.db2.gz CVAGCJMHIRXTOU-VBSBHUPXSA-N 2 2 355.482 1.313 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001087430700 807135491 /nfs/dbraw/zinc/13/54/91/807135491.db2.gz CVAGCJMHIRXTOU-VBSBHUPXSA-N 2 2 355.482 1.313 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075613566 809053139 /nfs/dbraw/zinc/05/31/39/809053139.db2.gz HKKRCHDNOAPCTO-KFKAGJAMSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075613566 809053147 /nfs/dbraw/zinc/05/31/47/809053147.db2.gz HKKRCHDNOAPCTO-KFKAGJAMSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075613566 809053151 /nfs/dbraw/zinc/05/31/51/809053151.db2.gz HKKRCHDNOAPCTO-KFKAGJAMSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075613566 809053158 /nfs/dbraw/zinc/05/31/58/809053158.db2.gz HKKRCHDNOAPCTO-KFKAGJAMSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262020381 811369708 /nfs/dbraw/zinc/36/97/08/811369708.db2.gz YPJNSCSMFDSLJN-KDOFPFPSSA-N 3 2 367.501 1.723 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262020381 811369719 /nfs/dbraw/zinc/36/97/19/811369719.db2.gz YPJNSCSMFDSLJN-KDOFPFPSSA-N 3 2 367.501 1.723 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CC(N)=O)C3CCOCC3)CC2)cc1 ZINC000366695414 813812888 /nfs/dbraw/zinc/81/28/88/813812888.db2.gz YEKJHFNABNNPLZ-HXUWFJFHSA-N 2 2 370.497 1.783 20 30 FDEDLP CN(c1ccccc1C[NH+]1CCN(C(=O)CC#N)CC1)C1CC[NH+](C)CC1 ZINC000895066451 819847289 /nfs/dbraw/zinc/84/72/89/819847289.db2.gz SINNLWGCCGOICL-UHFFFAOYSA-N 2 2 369.513 1.775 20 30 FDEDLP COCC[C@@H]1COCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329791842 825459023 /nfs/dbraw/zinc/45/90/23/825459023.db2.gz DZUPBEOARXGPTB-GOSISDBHSA-N 2 2 368.522 1.196 20 30 FDEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330238107 825750428 /nfs/dbraw/zinc/75/04/28/825750428.db2.gz VAAWJTYXYNVRPG-IAGOWNOFSA-N 2 2 361.490 1.881 20 30 FDEDLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000330258843 825771530 /nfs/dbraw/zinc/77/15/30/825771530.db2.gz MUMSEGNYALEODU-CQSZACIVSA-N 2 2 364.494 1.085 20 30 FDEDLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000330258843 825771532 /nfs/dbraw/zinc/77/15/32/825771532.db2.gz MUMSEGNYALEODU-CQSZACIVSA-N 2 2 364.494 1.085 20 30 FDEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330331996 825938349 /nfs/dbraw/zinc/93/83/49/825938349.db2.gz XSKPFSOWMSSUSZ-UAGQMJEPSA-N 2 2 361.490 1.881 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@@H]2C1 ZINC001088140830 826657545 /nfs/dbraw/zinc/65/75/45/826657545.db2.gz GVWPLHNWXRYCPJ-MSOLQXFVSA-N 2 2 350.466 1.989 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@@H]2C1 ZINC001088140830 826657549 /nfs/dbraw/zinc/65/75/49/826657549.db2.gz GVWPLHNWXRYCPJ-MSOLQXFVSA-N 2 2 350.466 1.989 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537156 833158535 /nfs/dbraw/zinc/15/85/35/833158535.db2.gz SGLGWOZWEPUNNJ-HBFSDRIKSA-N 2 2 358.486 1.702 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)o4)CC[C@@H]3C2)CC1 ZINC001088211896 827492685 /nfs/dbraw/zinc/49/26/85/827492685.db2.gz FEHNVRPULKGTTP-MSOLQXFVSA-N 2 2 371.485 1.004 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)o4)CC[C@@H]3C2)CC1 ZINC001088211896 827492689 /nfs/dbraw/zinc/49/26/89/827492689.db2.gz FEHNVRPULKGTTP-MSOLQXFVSA-N 2 2 371.485 1.004 20 30 FDEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528385589 829377482 /nfs/dbraw/zinc/37/74/82/829377482.db2.gz CSDPTBGUSQOOJP-QGZVFWFLSA-N 2 2 351.450 1.704 20 30 FDEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528385589 829377487 /nfs/dbraw/zinc/37/74/87/829377487.db2.gz CSDPTBGUSQOOJP-QGZVFWFLSA-N 2 2 351.450 1.704 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459465457 838712251 /nfs/dbraw/zinc/71/22/51/838712251.db2.gz OMEHCLJKQPOLRM-HNNXBMFYSA-N 2 2 367.453 1.757 20 30 FDEDLP C=C(Br)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457736 848182024 /nfs/dbraw/zinc/18/20/24/848182024.db2.gz PJIPNKDVPLSILG-QLFBSQMISA-N 2 2 356.308 1.770 20 30 FDEDLP C=C(Br)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457736 848182027 /nfs/dbraw/zinc/18/20/27/848182027.db2.gz PJIPNKDVPLSILG-QLFBSQMISA-N 2 2 356.308 1.770 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457736 848182031 /nfs/dbraw/zinc/18/20/31/848182031.db2.gz PJIPNKDVPLSILG-QLFBSQMISA-N 2 2 356.308 1.770 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457736 848182034 /nfs/dbraw/zinc/18/20/34/848182034.db2.gz PJIPNKDVPLSILG-QLFBSQMISA-N 2 2 356.308 1.770 20 30 FDEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219180 850132864 /nfs/dbraw/zinc/13/28/64/850132864.db2.gz LKHGBDHCLDUHEI-WOJBJXKFSA-N 2 2 367.493 1.075 20 30 FDEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219180 850132870 /nfs/dbraw/zinc/13/28/70/850132870.db2.gz LKHGBDHCLDUHEI-WOJBJXKFSA-N 2 2 367.493 1.075 20 30 FDEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077280533 850382356 /nfs/dbraw/zinc/38/23/56/850382356.db2.gz CAKYHVPNDVVBRC-HSALFYBXSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077280533 850382360 /nfs/dbraw/zinc/38/23/60/850382360.db2.gz CAKYHVPNDVVBRC-HSALFYBXSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077280533 850382369 /nfs/dbraw/zinc/38/23/69/850382369.db2.gz CAKYHVPNDVVBRC-HSALFYBXSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077280533 850382382 /nfs/dbraw/zinc/38/23/82/850382382.db2.gz CAKYHVPNDVVBRC-HSALFYBXSA-N 2 2 370.497 1.340 20 30 FDEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668619191 854564627 /nfs/dbraw/zinc/56/46/27/854564627.db2.gz ZVWVBXKYPNHZHO-ROUUACIJSA-N 2 2 350.507 1.084 20 30 FDEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668619191 854564629 /nfs/dbraw/zinc/56/46/29/854564629.db2.gz ZVWVBXKYPNHZHO-ROUUACIJSA-N 2 2 350.507 1.084 20 30 FDEDLP C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001105708382 856291692 /nfs/dbraw/zinc/29/16/92/856291692.db2.gz DTIPRHLLMABSTK-VQIMIIECSA-N 2 2 365.518 1.221 20 30 FDEDLP C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001105708382 856291701 /nfs/dbraw/zinc/29/17/01/856291701.db2.gz DTIPRHLLMABSTK-VQIMIIECSA-N 2 2 365.518 1.221 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001033183747 881686741 /nfs/dbraw/zinc/68/67/41/881686741.db2.gz FEOMBQMGNJYVES-YZGWKJHDSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001033183747 881686745 /nfs/dbraw/zinc/68/67/45/881686745.db2.gz FEOMBQMGNJYVES-YZGWKJHDSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001033183747 881686750 /nfs/dbraw/zinc/68/67/50/881686750.db2.gz FEOMBQMGNJYVES-YZGWKJHDSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001033183747 881686756 /nfs/dbraw/zinc/68/67/56/881686756.db2.gz FEOMBQMGNJYVES-YZGWKJHDSA-N 2 2 355.482 1.290 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccn3CC)[C@@H]2C)CC1 ZINC001089059895 866388943 /nfs/dbraw/zinc/38/89/43/866388943.db2.gz HSINJXPOIBXEPZ-AEFFLSMTSA-N 2 2 357.502 1.327 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033288416 882212299 /nfs/dbraw/zinc/21/22/99/882212299.db2.gz BCXOAEAHACRLLD-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033288416 882212313 /nfs/dbraw/zinc/21/23/13/882212313.db2.gz BCXOAEAHACRLLD-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696146 869340225 /nfs/dbraw/zinc/34/02/25/869340225.db2.gz LLAWBRZOIJLHGN-MSOLQXFVSA-N 2 2 356.470 1.094 20 30 FDEDLP C=CCN1CC[C@H]([NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000282103211 871104107 /nfs/dbraw/zinc/10/41/07/871104107.db2.gz WFYMCRRBJCFKEY-FQEVSTJZSA-N 2 2 356.514 1.523 20 30 FDEDLP C=CCN1CC[C@H]([NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000282103211 871104115 /nfs/dbraw/zinc/10/41/15/871104115.db2.gz WFYMCRRBJCFKEY-FQEVSTJZSA-N 2 2 356.514 1.523 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000914251486 872013564 /nfs/dbraw/zinc/01/35/64/872013564.db2.gz ZTKZRHJYYBKBGA-UHFFFAOYSA-N 2 2 370.497 1.416 20 30 FDEDLP C#CC[NH+]1CCC[C@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000923560056 889796781 /nfs/dbraw/zinc/79/67/81/889796781.db2.gz YMCPREZQENTFGT-INIZCTEOSA-N 2 2 350.466 1.983 20 30 FDEDLP C#CC[NH+]1CCC[C@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000923560056 889796784 /nfs/dbraw/zinc/79/67/84/889796784.db2.gz YMCPREZQENTFGT-INIZCTEOSA-N 2 2 350.466 1.983 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000923560056 889796787 /nfs/dbraw/zinc/79/67/87/889796787.db2.gz YMCPREZQENTFGT-INIZCTEOSA-N 2 2 350.466 1.983 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000923560056 889796792 /nfs/dbraw/zinc/79/67/92/889796792.db2.gz YMCPREZQENTFGT-INIZCTEOSA-N 2 2 350.466 1.983 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000923575947 889910370 /nfs/dbraw/zinc/91/03/70/889910370.db2.gz GRDBCZCQXUDVFI-FQEVSTJZSA-N 2 2 354.498 1.261 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000923575947 889910382 /nfs/dbraw/zinc/91/03/82/889910382.db2.gz GRDBCZCQXUDVFI-FQEVSTJZSA-N 2 2 354.498 1.261 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303806 889992278 /nfs/dbraw/zinc/99/22/78/889992278.db2.gz NARRHAGGSJRVEH-KZNAEPCWSA-N 2 2 361.490 1.572 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303806 889992282 /nfs/dbraw/zinc/99/22/82/889992282.db2.gz NARRHAGGSJRVEH-KZNAEPCWSA-N 2 2 361.490 1.572 20 30 FDEDLP C=CCCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303806 889992287 /nfs/dbraw/zinc/99/22/87/889992287.db2.gz NARRHAGGSJRVEH-KZNAEPCWSA-N 2 2 361.490 1.572 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1ccccc1F ZINC001079300569 902346450 /nfs/dbraw/zinc/34/64/50/902346450.db2.gz OHDSWJBUGWLHCZ-ZAAXVRCTSA-N 2 2 366.440 1.802 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnc2OC)C1 ZINC001082568566 908711396 /nfs/dbraw/zinc/71/13/96/908711396.db2.gz FCEYKKVEMAYHAI-BMFZPTHFSA-N 2 2 362.499 1.186 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnc2OC)C1 ZINC001082568566 908711411 /nfs/dbraw/zinc/71/14/11/908711411.db2.gz FCEYKKVEMAYHAI-BMFZPTHFSA-N 2 2 362.499 1.186 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001082603291 908914053 /nfs/dbraw/zinc/91/40/53/908914053.db2.gz SXERORRXHKSHPH-KWCYVHTRSA-N 2 2 367.291 1.791 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001082884731 910663829 /nfs/dbraw/zinc/66/38/29/910663829.db2.gz CJHNYBQDDWLGHC-AUUYWEPGSA-N 2 2 367.453 1.800 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082893215 910744582 /nfs/dbraw/zinc/74/45/82/910744582.db2.gz UONAIOJJIADKLH-DNVCBOLYSA-N 2 2 351.454 1.861 20 30 FDEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@H]2C1 ZINC001083084514 911954974 /nfs/dbraw/zinc/95/49/74/911954974.db2.gz SVVBBUXSZOSENF-AKHDSKFASA-N 2 2 368.481 1.089 20 30 FDEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@H]2C1 ZINC001083084514 911954977 /nfs/dbraw/zinc/95/49/77/911954977.db2.gz SVVBBUXSZOSENF-AKHDSKFASA-N 2 2 368.481 1.089 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC001084446682 914901932 /nfs/dbraw/zinc/90/19/32/914901932.db2.gz JAGHYRYVNWRKLL-DTTOXWODSA-N 2 2 374.510 1.372 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC001084446682 914901935 /nfs/dbraw/zinc/90/19/35/914901935.db2.gz JAGHYRYVNWRKLL-DTTOXWODSA-N 2 2 374.510 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC001084446682 914901948 /nfs/dbraw/zinc/90/19/48/914901948.db2.gz JAGHYRYVNWRKLL-DTTOXWODSA-N 2 2 374.510 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC001084446682 914901950 /nfs/dbraw/zinc/90/19/50/914901950.db2.gz JAGHYRYVNWRKLL-DTTOXWODSA-N 2 2 374.510 1.372 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084832986 917551426 /nfs/dbraw/zinc/55/14/26/917551426.db2.gz IUWIKCCVKAEIGQ-UYAOXDASSA-N 2 2 366.440 1.915 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084832986 917551430 /nfs/dbraw/zinc/55/14/30/917551430.db2.gz IUWIKCCVKAEIGQ-UYAOXDASSA-N 2 2 366.440 1.915 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]32)C1=O ZINC001084931076 918466293 /nfs/dbraw/zinc/46/62/93/918466293.db2.gz ZMSIXMREEKNATP-BBWFWOEESA-N 2 2 371.485 1.052 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]32)C1=O ZINC001084931076 918466300 /nfs/dbraw/zinc/46/63/00/918466300.db2.gz ZMSIXMREEKNATP-BBWFWOEESA-N 2 2 371.485 1.052 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)s1 ZINC001085105972 920979503 /nfs/dbraw/zinc/97/95/03/920979503.db2.gz WSJAIXSZLHYUOZ-PBHICJAKSA-N 2 2 355.467 1.939 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)s1 ZINC001085105972 920979508 /nfs/dbraw/zinc/97/95/08/920979508.db2.gz WSJAIXSZLHYUOZ-PBHICJAKSA-N 2 2 355.467 1.939 20 30 FDEDLP C#CCNC(=O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740879330 925481716 /nfs/dbraw/zinc/48/17/16/925481716.db2.gz INEAYYAVXOXDNF-UHFFFAOYSA-N 2 2 357.502 1.949 20 30 FDEDLP C#CCNC(=O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740879330 925481718 /nfs/dbraw/zinc/48/17/18/925481718.db2.gz INEAYYAVXOXDNF-UHFFFAOYSA-N 2 2 357.502 1.949 20 30 FDEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326815 926155223 /nfs/dbraw/zinc/15/52/23/926155223.db2.gz MEDWXTTXKLFHJF-MSOLQXFVSA-N 2 2 360.506 1.155 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326815 926155237 /nfs/dbraw/zinc/15/52/37/926155237.db2.gz MEDWXTTXKLFHJF-MSOLQXFVSA-N 2 2 360.506 1.155 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326815 926155249 /nfs/dbraw/zinc/15/52/49/926155249.db2.gz MEDWXTTXKLFHJF-MSOLQXFVSA-N 2 2 360.506 1.155 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129919170 938567585 /nfs/dbraw/zinc/56/75/85/938567585.db2.gz PIOWIYZAQMYMMZ-NXHRZFHOSA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cn(C)cn1 ZINC001130616783 939928221 /nfs/dbraw/zinc/92/82/21/939928221.db2.gz BFOOXSXFFWRKOQ-HHXXYDBFSA-N 2 2 368.485 1.339 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131079217 940492074 /nfs/dbraw/zinc/49/20/74/940492074.db2.gz GNLBBPYUQBUUHQ-BRWVUGGUSA-N 2 2 354.458 1.175 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001131516962 940683899 /nfs/dbraw/zinc/68/38/99/940683899.db2.gz CSLXWROFEDTEMB-MTNOOBJLSA-N 2 2 356.470 1.522 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001131516962 940683902 /nfs/dbraw/zinc/68/39/02/940683902.db2.gz CSLXWROFEDTEMB-MTNOOBJLSA-N 2 2 356.470 1.522 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001131522336 940705458 /nfs/dbraw/zinc/70/54/58/940705458.db2.gz CPVGNAKJIRSJGZ-NSHGMRRFSA-N 2 2 370.497 1.455 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001131522644 940705842 /nfs/dbraw/zinc/70/58/42/940705842.db2.gz REMDTXRRJSZPBC-RLLQIKCJSA-N 2 2 370.497 1.455 20 30 FDEDLP C[NH+]1CCC[C@]2(CC[NH+](CC#CCN3CC[C@@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815144045 941791341 /nfs/dbraw/zinc/79/13/41/941791341.db2.gz RTKDOUGCPNOYJN-VXKWHMMOSA-N 3 2 358.574 1.825 20 30 FDEDLP C[NH+]1CCC[C@]2(CC[NH+](CC#CCN3CC[C@@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815144045 941791343 /nfs/dbraw/zinc/79/13/43/941791343.db2.gz RTKDOUGCPNOYJN-VXKWHMMOSA-N 3 2 358.574 1.825 20 30 FDEDLP C[NH+]1CCC[C@]2(CCN(CC#CC[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815144045 941791347 /nfs/dbraw/zinc/79/13/47/941791347.db2.gz RTKDOUGCPNOYJN-VXKWHMMOSA-N 3 2 358.574 1.825 20 30 FDEDLP C[NH+]1CCC[C@]2(CCN(CC#CC[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815144045 941791350 /nfs/dbraw/zinc/79/13/50/941791350.db2.gz RTKDOUGCPNOYJN-VXKWHMMOSA-N 3 2 358.574 1.825 20 30 FDEDLP C#CCNC(=O)CC[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000819033977 943409038 /nfs/dbraw/zinc/40/90/38/943409038.db2.gz LCRSJMUOLSDPIN-UHFFFAOYSA-N 2 2 362.905 1.581 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cnn(C)c1 ZINC001086984708 952999583 /nfs/dbraw/zinc/99/95/83/952999583.db2.gz YYHZUHXWPOEYJK-MAUKXSAKSA-N 2 2 350.426 1.680 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946882 953811418 /nfs/dbraw/zinc/81/14/18/953811418.db2.gz PPEVJMYFQBKYBV-QFUCXCTJSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946882 953811433 /nfs/dbraw/zinc/81/14/33/953811433.db2.gz PPEVJMYFQBKYBV-QFUCXCTJSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946882 953811440 /nfs/dbraw/zinc/81/14/40/953811440.db2.gz PPEVJMYFQBKYBV-QFUCXCTJSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946882 953811452 /nfs/dbraw/zinc/81/14/52/953811452.db2.gz PPEVJMYFQBKYBV-QFUCXCTJSA-N 2 2 361.530 1.986 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092297276 954732681 /nfs/dbraw/zinc/73/26/81/954732681.db2.gz RQOFJXVEFVFJRF-XLIONFOSSA-N 2 2 357.523 1.910 20 30 FDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092297276 954732688 /nfs/dbraw/zinc/73/26/88/954732688.db2.gz RQOFJXVEFVFJRF-XLIONFOSSA-N 2 2 357.523 1.910 20 30 FDEDLP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092297276 954732697 /nfs/dbraw/zinc/73/26/97/954732697.db2.gz RQOFJXVEFVFJRF-XLIONFOSSA-N 2 2 357.523 1.910 20 30 FDEDLP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092297276 954732710 /nfs/dbraw/zinc/73/27/10/954732710.db2.gz RQOFJXVEFVFJRF-XLIONFOSSA-N 2 2 357.523 1.910 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093447673 958101240 /nfs/dbraw/zinc/10/12/40/958101240.db2.gz YLRYAWKEJLDSOP-SMOSDQRPSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001093454950 958270475 /nfs/dbraw/zinc/27/04/75/958270475.db2.gz IODCWRUUVONZTR-LFGUQSLTSA-N 2 2 360.502 1.815 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH+]ccn3C)[C@H]2C(C)C)C[C@H]1O ZINC001093455125 958271537 /nfs/dbraw/zinc/27/15/37/958271537.db2.gz KOUZTTXWKMQPSO-YAJHFMINSA-N 2 2 360.502 1.505 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094075038 959704796 /nfs/dbraw/zinc/70/47/96/959704796.db2.gz WPQDOUAAJQIRDX-CZUORRHYSA-N 2 2 355.417 1.847 20 30 FDEDLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172976057 961860036 /nfs/dbraw/zinc/86/00/36/961860036.db2.gz LJFRYKPIKKPUBM-KGLIPLIRSA-N 2 2 350.467 1.050 20 30 FDEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001187971232 965933389 /nfs/dbraw/zinc/93/33/89/965933389.db2.gz FYTHCQIDMHZCRG-OKZBNKHCSA-N 2 2 358.486 1.579 20 30 FDEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001187971232 965933392 /nfs/dbraw/zinc/93/33/92/965933392.db2.gz FYTHCQIDMHZCRG-OKZBNKHCSA-N 2 2 358.486 1.579 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001189640105 967101785 /nfs/dbraw/zinc/10/17/85/967101785.db2.gz JJGHUAAYPZIHON-QFBILLFUSA-N 2 2 367.453 1.616 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001189640105 967101790 /nfs/dbraw/zinc/10/17/90/967101790.db2.gz JJGHUAAYPZIHON-QFBILLFUSA-N 2 2 367.453 1.616 20 30 FDEDLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852857139 967661909 /nfs/dbraw/zinc/66/19/09/967661909.db2.gz JYGJSKUOLVMJSF-UHFFFAOYSA-N 2 2 354.454 1.016 20 30 FDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCCOCc3ccccc3)cn2)CC1 ZINC000863178632 972695272 /nfs/dbraw/zinc/69/52/72/972695272.db2.gz YWTQXTYUIDWNKE-UHFFFAOYSA-N 2 2 368.485 1.759 20 30 FDEDLP Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NC(=S)NCCC[NH+](C)C ZINC000794908101 975527569 /nfs/dbraw/zinc/52/75/69/975527569.db2.gz DMKARDMBILWUPZ-UHFFFAOYSA-N 2 2 359.503 1.513 20 30 FDEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC[NH+]3CCOCC3)CC1)C2 ZINC000866617510 975836881 /nfs/dbraw/zinc/83/68/81/975836881.db2.gz KLKAXBJBJWXMSG-OAQYLSRUSA-N 2 2 354.498 1.412 20 30 FDEDLP N#Cc1ccc2ncc(C[NH2+][C@H]3CCCN(CC[NH+]4CCOCC4)C3)n2c1 ZINC000883372369 982101904 /nfs/dbraw/zinc/10/19/04/982101904.db2.gz YJJRKOPRSAGRGZ-SFHVURJKSA-N 2 2 368.485 1.092 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000884179270 982951833 /nfs/dbraw/zinc/95/18/33/982951833.db2.gz KDPRREDWFKKJID-GNZRSQJKSA-N 2 2 354.454 1.597 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CCOc3ccccc3)CC1)C2 ZINC000884179217 982951931 /nfs/dbraw/zinc/95/19/31/982951931.db2.gz IMEKBDJPAFYHFP-IDYZSHNDSA-N 2 2 368.481 1.349 20 30 FDEDLP C[N@H+](CCc1cccc(C#N)c1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000872705747 987993300 /nfs/dbraw/zinc/99/33/00/987993300.db2.gz XWBGDTVEEANOCV-FQEVSTJZSA-N 2 2 354.454 1.907 20 30 FDEDLP C[N@@H+](CCc1cccc(C#N)c1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000872705747 987993302 /nfs/dbraw/zinc/99/33/02/987993302.db2.gz XWBGDTVEEANOCV-FQEVSTJZSA-N 2 2 354.454 1.907 20 30 FDEDLP C[C@H](O)CNc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000294485398 988428687 /nfs/dbraw/zinc/42/86/87/988428687.db2.gz RXDZTUVXPNVFCJ-INIZCTEOSA-N 2 2 366.469 1.853 20 30 FDEDLP C[C@H](O)CNc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000294485398 988428695 /nfs/dbraw/zinc/42/86/95/988428695.db2.gz RXDZTUVXPNVFCJ-INIZCTEOSA-N 2 2 366.469 1.853 20 30 FDEDLP C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366726863 988757835 /nfs/dbraw/zinc/75/78/35/988757835.db2.gz ZGGLJSKEDMZFTP-VQIMIIECSA-N 2 2 364.534 1.825 20 30 FDEDLP C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875214220 991096561 /nfs/dbraw/zinc/09/65/61/991096561.db2.gz KAALTKXNDISNBC-MRXNPFEDSA-N 2 2 364.534 1.380 20 30 FDEDLP C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875214220 991096572 /nfs/dbraw/zinc/09/65/72/991096572.db2.gz KAALTKXNDISNBC-MRXNPFEDSA-N 2 2 364.534 1.380 20 30 FDEDLP C#CC[C@@H](CCOC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000875914920 992187970 /nfs/dbraw/zinc/18/79/70/992187970.db2.gz RBRLJZBVZBDEGC-SFHVURJKSA-N 2 2 364.534 1.616 20 30 FDEDLP C#CC[C@@H](CCOC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000875914920 992187986 /nfs/dbraw/zinc/18/79/86/992187986.db2.gz RBRLJZBVZBDEGC-SFHVURJKSA-N 2 2 364.534 1.616 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000374106454 992615280 /nfs/dbraw/zinc/61/52/80/992615280.db2.gz LCBRFSURICLSBT-FUHWJXTLSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000374106454 992615288 /nfs/dbraw/zinc/61/52/88/992615288.db2.gz LCBRFSURICLSBT-FUHWJXTLSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000374106454 992615307 /nfs/dbraw/zinc/61/53/07/992615307.db2.gz LCBRFSURICLSBT-FUHWJXTLSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000374106454 992615335 /nfs/dbraw/zinc/61/53/35/992615335.db2.gz LCBRFSURICLSBT-FUHWJXTLSA-N 2 2 358.486 1.841 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000876717133 992827195 /nfs/dbraw/zinc/82/71/95/992827195.db2.gz XHYWDADYKRGNCN-INIZCTEOSA-N 2 2 364.877 1.676 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)c1ccccc1 ZINC001095556149 993433042 /nfs/dbraw/zinc/43/30/42/993433042.db2.gz AFQCUZBXRIWSFO-NXNFSMPISA-N 2 2 367.493 1.539 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)c1ccccc1 ZINC001095556149 993433069 /nfs/dbraw/zinc/43/30/69/993433069.db2.gz AFQCUZBXRIWSFO-NXNFSMPISA-N 2 2 367.493 1.539 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)c1ccccc1 ZINC001095556149 993433089 /nfs/dbraw/zinc/43/30/89/993433089.db2.gz AFQCUZBXRIWSFO-NXNFSMPISA-N 2 2 367.493 1.539 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)c1ccccc1 ZINC001095556149 993433111 /nfs/dbraw/zinc/43/31/11/993433111.db2.gz AFQCUZBXRIWSFO-NXNFSMPISA-N 2 2 367.493 1.539 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000271183225 999672078 /nfs/dbraw/zinc/67/20/78/999672078.db2.gz IHPJLWWUQCQFGP-QGZVFWFLSA-N 2 2 358.490 1.281 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000283412401 999751979 /nfs/dbraw/zinc/75/19/79/999751979.db2.gz YXDRTUPTGWEABX-KRWDZBQOSA-N 2 2 361.490 1.204 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000928651254 1001608369 /nfs/dbraw/zinc/60/83/69/1001608369.db2.gz ROAGMYKKCWZWIN-UHFFFAOYSA-N 2 2 353.382 1.608 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001111277373 1002473428 /nfs/dbraw/zinc/47/34/28/1002473428.db2.gz ONNJNEKIWHQBQD-QRQLOZEOSA-N 2 2 374.460 1.497 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001111277373 1002473435 /nfs/dbraw/zinc/47/34/35/1002473435.db2.gz ONNJNEKIWHQBQD-QRQLOZEOSA-N 2 2 374.460 1.497 20 30 FDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528511883 539764202 /nfs/dbraw/zinc/76/42/02/539764202.db2.gz WQKGKFPDBVMHEV-QFBILLFUSA-N 2 2 359.470 1.483 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000556344011 544134122 /nfs/dbraw/zinc/13/41/22/544134122.db2.gz PGPPRNCZZWPUMS-SJORKVTESA-N 2 2 373.501 1.490 20 30 FDEDLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000557407169 544287917 /nfs/dbraw/zinc/28/79/17/544287917.db2.gz CQPHCBBKWGNVEO-IBGZPJMESA-N 2 2 363.465 1.970 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000557766632 544343466 /nfs/dbraw/zinc/34/34/66/544343466.db2.gz GVQPXDIUVIKGSL-UHFFFAOYSA-N 2 2 359.474 1.272 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000557766632 544343468 /nfs/dbraw/zinc/34/34/68/544343468.db2.gz GVQPXDIUVIKGSL-UHFFFAOYSA-N 2 2 359.474 1.272 20 30 FDEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000332159714 259246179 /nfs/dbraw/zinc/24/61/79/259246179.db2.gz YMCPKSLPTNKRDP-KRWDZBQOSA-N 2 2 358.442 1.294 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276074 260329899 /nfs/dbraw/zinc/32/98/99/260329899.db2.gz FGELPOLXTNKONJ-RDJZCZTQSA-N 2 2 356.470 1.610 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276074 260329900 /nfs/dbraw/zinc/32/99/00/260329900.db2.gz FGELPOLXTNKONJ-RDJZCZTQSA-N 2 2 356.470 1.610 20 30 FDEDLP Cc1oc(NC(=O)CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)c1C ZINC000374257523 261100248 /nfs/dbraw/zinc/10/02/48/261100248.db2.gz FEHKVGMGCQACGV-CQSZACIVSA-N 2 2 373.501 1.807 20 30 FDEDLP Cc1oc(NC(=O)CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)c1C ZINC000374257523 261100249 /nfs/dbraw/zinc/10/02/49/261100249.db2.gz FEHKVGMGCQACGV-CQSZACIVSA-N 2 2 373.501 1.807 20 30 FDEDLP CC[N@@H+]1CCC[C@@H](CN(C)C([O-])=[NH+]CCn2cc[nH+]c2)[C@@H]1c1cnn(C)c1 ZINC000328616473 521614606 /nfs/dbraw/zinc/61/46/06/521614606.db2.gz BSXXZSFWCJAJET-FUHWJXTLSA-N 2 2 373.505 1.936 20 30 FDEDLP CC[N@H+]1CCC[C@@H](CN(C)C([O-])=[NH+]CCn2cc[nH+]c2)[C@@H]1c1cnn(C)c1 ZINC000328616473 521614609 /nfs/dbraw/zinc/61/46/09/521614609.db2.gz BSXXZSFWCJAJET-FUHWJXTLSA-N 2 2 373.505 1.936 20 30 FDEDLP CC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCCn2cc[nH+]c2)[C@@H]1c1cnn(C)c1 ZINC000328616473 521614614 /nfs/dbraw/zinc/61/46/14/521614614.db2.gz BSXXZSFWCJAJET-FUHWJXTLSA-N 2 2 373.505 1.936 20 30 FDEDLP CC[N@H+]1CCC[C@@H](CN(C)C(=O)NCCn2cc[nH+]c2)[C@@H]1c1cnn(C)c1 ZINC000328616473 521614621 /nfs/dbraw/zinc/61/46/21/521614621.db2.gz BSXXZSFWCJAJET-FUHWJXTLSA-N 2 2 373.505 1.936 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000070011331 521994838 /nfs/dbraw/zinc/99/48/38/521994838.db2.gz YRJUSOJXCVOTDQ-UXHICEINSA-N 2 2 373.497 1.537 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000070011331 521994846 /nfs/dbraw/zinc/99/48/46/521994846.db2.gz YRJUSOJXCVOTDQ-UXHICEINSA-N 2 2 373.497 1.537 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000125233108 525170963 /nfs/dbraw/zinc/17/09/63/525170963.db2.gz IRICBDFPEPBFJZ-UHFFFAOYSA-N 2 2 358.486 1.858 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)CC1 ZINC000118835175 525556450 /nfs/dbraw/zinc/55/64/50/525556450.db2.gz OOJFSPVFOYMCBY-RDJZCZTQSA-N 2 2 373.501 1.807 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)CC1 ZINC000118835175 525556457 /nfs/dbraw/zinc/55/64/57/525556457.db2.gz OOJFSPVFOYMCBY-RDJZCZTQSA-N 2 2 373.501 1.807 20 30 FDEDLP CN(C)c1nc(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000134141983 526128085 /nfs/dbraw/zinc/12/80/85/526128085.db2.gz OGMZXKXMIRWXJL-UHFFFAOYSA-N 2 2 352.442 1.615 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301739 536289434 /nfs/dbraw/zinc/28/94/34/536289434.db2.gz IZRFXFUOGKMNEI-FXAWDEMLSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301739 536289435 /nfs/dbraw/zinc/28/94/35/536289435.db2.gz IZRFXFUOGKMNEI-FXAWDEMLSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188301739 536289436 /nfs/dbraw/zinc/28/94/36/536289436.db2.gz IZRFXFUOGKMNEI-FXAWDEMLSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188301739 536289437 /nfs/dbraw/zinc/28/94/37/536289437.db2.gz IZRFXFUOGKMNEI-FXAWDEMLSA-N 2 2 358.486 1.316 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188310734 536289904 /nfs/dbraw/zinc/28/99/04/536289904.db2.gz RIODXQAPGBSSRW-LEWJYISDSA-N 2 2 372.513 1.610 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188310734 536289905 /nfs/dbraw/zinc/28/99/05/536289905.db2.gz RIODXQAPGBSSRW-LEWJYISDSA-N 2 2 372.513 1.610 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188310734 536289906 /nfs/dbraw/zinc/28/99/06/536289906.db2.gz RIODXQAPGBSSRW-LEWJYISDSA-N 2 2 372.513 1.610 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188310734 536289907 /nfs/dbraw/zinc/28/99/07/536289907.db2.gz RIODXQAPGBSSRW-LEWJYISDSA-N 2 2 372.513 1.610 20 30 FDEDLP Cc1ccn2c(c1)nc(CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)cc2=O ZINC000266997254 536946405 /nfs/dbraw/zinc/94/64/05/536946405.db2.gz FBDFZRFEEWVIIC-UHFFFAOYSA-N 2 2 365.437 1.902 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273033732 537385500 /nfs/dbraw/zinc/38/55/00/537385500.db2.gz FBRLJANYHNEFMD-QGZVFWFLSA-N 2 2 356.470 1.171 20 30 FDEDLP CC(C)(CNC(=O)C[N@@H+]1CCOCC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000329506342 537638019 /nfs/dbraw/zinc/63/80/19/537638019.db2.gz HNPRLRNYGZSRBE-UHFFFAOYSA-N 2 2 369.506 1.183 20 30 FDEDLP CC(C)(CNC(=O)C[N@H+]1CCOCC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000329506342 537638024 /nfs/dbraw/zinc/63/80/24/537638024.db2.gz HNPRLRNYGZSRBE-UHFFFAOYSA-N 2 2 369.506 1.183 20 30 FDEDLP C[C@H](C#N)S(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000416446633 537843575 /nfs/dbraw/zinc/84/35/75/537843575.db2.gz QCCLSNHDSOUMSI-OIISXLGYSA-N 2 2 356.536 1.497 20 30 FDEDLP C[C@H](C#N)S(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000416446633 537843581 /nfs/dbraw/zinc/84/35/81/537843581.db2.gz QCCLSNHDSOUMSI-OIISXLGYSA-N 2 2 356.536 1.497 20 30 FDEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433332035 538226348 /nfs/dbraw/zinc/22/63/48/538226348.db2.gz RIQYDBGZNGDCDE-GOSISDBHSA-N 2 2 353.474 1.194 20 30 FDEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433332035 538226353 /nfs/dbraw/zinc/22/63/53/538226353.db2.gz RIQYDBGZNGDCDE-GOSISDBHSA-N 2 2 353.474 1.194 20 30 FDEDLP CCCC[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000566792415 547886599 /nfs/dbraw/zinc/88/65/99/547886599.db2.gz WZDDSMLISQADQI-UHFFFAOYSA-N 2 2 350.488 1.581 20 30 FDEDLP C[NH+](C)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC000567689964 548214511 /nfs/dbraw/zinc/21/45/11/548214511.db2.gz VCMFDENZQKFPCA-HNNXBMFYSA-N 2 2 352.504 1.683 20 30 FDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000568753337 548665990 /nfs/dbraw/zinc/66/59/90/548665990.db2.gz OLDIYMBUMBVTJW-YJBOKZPZSA-N 2 2 357.458 1.924 20 30 FDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000568753337 548665996 /nfs/dbraw/zinc/66/59/96/548665996.db2.gz OLDIYMBUMBVTJW-YJBOKZPZSA-N 2 2 357.458 1.924 20 30 FDEDLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000577277743 550639599 /nfs/dbraw/zinc/63/95/99/550639599.db2.gz XXEFQKATJFOURA-LJQANCHMSA-N 2 2 357.502 1.461 20 30 FDEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000577638458 550678862 /nfs/dbraw/zinc/67/88/62/550678862.db2.gz VXSCPGHORWZIKV-HNNXBMFYSA-N 2 2 370.457 1.397 20 30 FDEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000577638458 550678864 /nfs/dbraw/zinc/67/88/64/550678864.db2.gz VXSCPGHORWZIKV-HNNXBMFYSA-N 2 2 370.457 1.397 20 30 FDEDLP C(#CC[N@@H+]1CCO[C@]2(CCSC2)C1)C[NH+]1CCO[C@]2(CCSC2)C1 ZINC000580831177 551023565 /nfs/dbraw/zinc/02/35/65/551023565.db2.gz GPVMKCWTWOUUID-QZTJIDSGSA-N 2 2 368.568 1.406 20 30 FDEDLP C(#CC[N@H+]1CCO[C@]2(CCSC2)C1)C[NH+]1CCO[C@]2(CCSC2)C1 ZINC000580831177 551023567 /nfs/dbraw/zinc/02/35/67/551023567.db2.gz GPVMKCWTWOUUID-QZTJIDSGSA-N 2 2 368.568 1.406 20 30 FDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000583258746 551326015 /nfs/dbraw/zinc/32/60/15/551326015.db2.gz SGZUNVNUVMIJMB-KRWDZBQOSA-N 2 2 354.564 1.534 20 30 FDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000594441104 552311112 /nfs/dbraw/zinc/31/11/12/552311112.db2.gz MVFKTOISXOLHFA-QGZVFWFLSA-N 2 2 354.458 1.390 20 30 FDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000594445278 552311776 /nfs/dbraw/zinc/31/17/76/552311776.db2.gz COOQHTXACRRCRV-KRWDZBQOSA-N 2 2 372.469 1.513 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000594539270 552330845 /nfs/dbraw/zinc/33/08/45/552330845.db2.gz YUEIBMJIYJRXBN-CQSZACIVSA-N 2 2 355.364 1.275 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000594804376 552391323 /nfs/dbraw/zinc/39/13/23/552391323.db2.gz YIXQCIXYEKHTCN-HNNXBMFYSA-N 2 2 352.504 1.250 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000594804376 552391324 /nfs/dbraw/zinc/39/13/24/552391324.db2.gz YIXQCIXYEKHTCN-HNNXBMFYSA-N 2 2 352.504 1.250 20 30 FDEDLP CN(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1(C#N)CCCCC1 ZINC000595468946 552567024 /nfs/dbraw/zinc/56/70/24/552567024.db2.gz FBZBCYRXAMWOSA-GOSISDBHSA-N 2 2 362.518 1.858 20 30 FDEDLP CN(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1(C#N)CCCCC1 ZINC000595468946 552567026 /nfs/dbraw/zinc/56/70/26/552567026.db2.gz FBZBCYRXAMWOSA-GOSISDBHSA-N 2 2 362.518 1.858 20 30 FDEDLP CC(C)(CNC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000595634410 552595868 /nfs/dbraw/zinc/59/58/68/552595868.db2.gz BXZAEWSORITQKR-UHFFFAOYSA-N 2 2 358.486 1.610 20 30 FDEDLP CN(C(=O)NCCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000596670951 552699544 /nfs/dbraw/zinc/69/95/44/552699544.db2.gz GHYVYNANRWHMNV-HXUWFJFHSA-N 2 2 369.513 1.911 20 30 FDEDLP CN(C(=O)NCCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000596670951 552699546 /nfs/dbraw/zinc/69/95/46/552699546.db2.gz GHYVYNANRWHMNV-HXUWFJFHSA-N 2 2 369.513 1.911 20 30 FDEDLP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000599396079 553044880 /nfs/dbraw/zinc/04/48/80/553044880.db2.gz PHGQZMCGBYWUFT-MSOLQXFVSA-N 2 2 351.491 1.244 20 30 FDEDLP N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000599396079 553044882 /nfs/dbraw/zinc/04/48/82/553044882.db2.gz PHGQZMCGBYWUFT-MSOLQXFVSA-N 2 2 351.491 1.244 20 30 FDEDLP C[NH+](C)CCn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000600946394 553329810 /nfs/dbraw/zinc/32/98/10/553329810.db2.gz ULGWQCAZDWJFJH-UHFFFAOYSA-N 2 2 366.469 1.274 20 30 FDEDLP Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000601465331 553413372 /nfs/dbraw/zinc/41/33/72/553413372.db2.gz UECMHZAIKJVVDF-UHFFFAOYSA-N 2 2 356.467 1.168 20 30 FDEDLP Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000601465331 553413373 /nfs/dbraw/zinc/41/33/73/553413373.db2.gz UECMHZAIKJVVDF-UHFFFAOYSA-N 2 2 356.467 1.168 20 30 FDEDLP C[N@H+](CCc1ccccc1)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000602084732 553516322 /nfs/dbraw/zinc/51/63/22/553516322.db2.gz CYMFNLBHMOAUSG-UHFFFAOYSA-N 2 2 358.486 1.235 20 30 FDEDLP C[N@@H+](CCc1ccccc1)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000602084732 553516323 /nfs/dbraw/zinc/51/63/23/553516323.db2.gz CYMFNLBHMOAUSG-UHFFFAOYSA-N 2 2 358.486 1.235 20 30 FDEDLP C[C@@H]1C[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)N1CC#N ZINC000602852266 553651383 /nfs/dbraw/zinc/65/13/83/553651383.db2.gz ARGYICSRWNNHLV-LMMKCTJWSA-N 2 2 357.502 1.324 20 30 FDEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccnc(C#N)c3)CC2)CC1 ZINC000610992946 554591920 /nfs/dbraw/zinc/59/19/20/554591920.db2.gz VPCAHNLDKDTHNC-UHFFFAOYSA-N 2 2 355.486 1.719 20 30 FDEDLP C=C(C)[C@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823873493 608382778 /nfs/dbraw/zinc/38/27/78/608382778.db2.gz MXDVTXKOBGDQDQ-KRWDZBQOSA-N 2 2 365.441 1.474 20 30 FDEDLP CCS(=O)(=O)CCCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000276460593 674730173 /nfs/dbraw/zinc/73/01/73/674730173.db2.gz FRTDPZQHCYCWLR-UHFFFAOYSA-N 2 2 355.504 1.990 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083093972 671471100 /nfs/dbraw/zinc/47/11/00/671471100.db2.gz OHCQEVSZDCUTKF-GOEBONIOSA-N 3 2 361.559 1.896 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083093972 671471102 /nfs/dbraw/zinc/47/11/02/671471102.db2.gz OHCQEVSZDCUTKF-GOEBONIOSA-N 3 2 361.559 1.896 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083093972 671471104 /nfs/dbraw/zinc/47/11/04/671471104.db2.gz OHCQEVSZDCUTKF-GOEBONIOSA-N 3 2 361.559 1.896 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083093972 671471107 /nfs/dbraw/zinc/47/11/07/671471107.db2.gz OHCQEVSZDCUTKF-GOEBONIOSA-N 3 2 361.559 1.896 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CO[NH+]=C(N)C2CCCCC2)C1 ZINC000178148674 672136725 /nfs/dbraw/zinc/13/67/25/672136725.db2.gz SPQOQYXUIYXUKZ-MRXNPFEDSA-N 2 2 354.495 1.329 20 30 FDEDLP CC[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261938880 672697941 /nfs/dbraw/zinc/69/79/41/672697941.db2.gz DBUDASRRODDFKC-HNNXBMFYSA-N 2 2 358.552 1.193 20 30 FDEDLP CC[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261938880 672697945 /nfs/dbraw/zinc/69/79/45/672697945.db2.gz DBUDASRRODDFKC-HNNXBMFYSA-N 2 2 358.552 1.193 20 30 FDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N(C)Cc1ccc2c(c1)OCO2 ZINC000262760869 672843597 /nfs/dbraw/zinc/84/35/97/672843597.db2.gz DCYXZIPPGWDYEM-UHFFFAOYSA-N 2 2 350.488 1.471 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000330176582 676676689 /nfs/dbraw/zinc/67/66/89/676676689.db2.gz KBMSALYEGBDZKS-IXDOHACOSA-N 2 2 371.547 1.506 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000330176582 676676691 /nfs/dbraw/zinc/67/66/91/676676691.db2.gz KBMSALYEGBDZKS-IXDOHACOSA-N 2 2 371.547 1.506 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000330176582 676676692 /nfs/dbraw/zinc/67/66/92/676676692.db2.gz KBMSALYEGBDZKS-IXDOHACOSA-N 2 2 371.547 1.506 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000330176582 676676694 /nfs/dbraw/zinc/67/66/94/676676694.db2.gz KBMSALYEGBDZKS-IXDOHACOSA-N 2 2 371.547 1.506 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000376327846 678276009 /nfs/dbraw/zinc/27/60/09/678276009.db2.gz NAJOQXVPPVWCKV-SJLPKXTDSA-N 2 2 350.507 1.532 20 30 FDEDLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1CCC#N ZINC000275544553 771892334 /nfs/dbraw/zinc/89/23/34/771892334.db2.gz ATYLMYALLXJMBX-UHFFFAOYSA-N 2 2 373.505 1.785 20 30 FDEDLP C=CCCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656069961 773516905 /nfs/dbraw/zinc/51/69/05/773516905.db2.gz UZERPXRSSMAEGJ-GOSISDBHSA-N 2 2 364.534 1.476 20 30 FDEDLP C=CCCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656069961 773516908 /nfs/dbraw/zinc/51/69/08/773516908.db2.gz UZERPXRSSMAEGJ-GOSISDBHSA-N 2 2 364.534 1.476 20 30 FDEDLP C=CCCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656069962 773516999 /nfs/dbraw/zinc/51/69/99/773516999.db2.gz UZERPXRSSMAEGJ-SFHVURJKSA-N 2 2 364.534 1.476 20 30 FDEDLP C=CCCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656069962 773517001 /nfs/dbraw/zinc/51/70/01/773517001.db2.gz UZERPXRSSMAEGJ-SFHVURJKSA-N 2 2 364.534 1.476 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367022 777928271 /nfs/dbraw/zinc/92/82/71/777928271.db2.gz DJWHNKLGRQNJOA-KZNAEPCWSA-N 2 2 358.486 1.170 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001083239082 781727850 /nfs/dbraw/zinc/72/78/50/781727850.db2.gz SCBGFXDWMUELBK-RBUKOAKNSA-N 2 2 367.453 1.759 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001083239082 781727853 /nfs/dbraw/zinc/72/78/53/781727853.db2.gz SCBGFXDWMUELBK-RBUKOAKNSA-N 2 2 367.453 1.759 20 30 FDEDLP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000378273244 793844810 /nfs/dbraw/zinc/84/48/10/793844810.db2.gz ANPUCVWBMPAPFJ-UHFFFAOYSA-N 2 2 356.470 1.931 20 30 FDEDLP C=CC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000662734664 802968467 /nfs/dbraw/zinc/96/84/67/802968467.db2.gz RZWCXAWOLXNTRN-FXAWDEMLSA-N 2 2 357.502 1.407 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001087453534 810043941 /nfs/dbraw/zinc/04/39/41/810043941.db2.gz YZGJDWWQZLEYML-QRVBRYPASA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001087453534 810043946 /nfs/dbraw/zinc/04/39/46/810043946.db2.gz YZGJDWWQZLEYML-QRVBRYPASA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087453534 810043952 /nfs/dbraw/zinc/04/39/52/810043952.db2.gz YZGJDWWQZLEYML-QRVBRYPASA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087453534 810043958 /nfs/dbraw/zinc/04/39/58/810043958.db2.gz YZGJDWWQZLEYML-QRVBRYPASA-N 2 2 361.461 1.616 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087622452 821780738 /nfs/dbraw/zinc/78/07/38/821780738.db2.gz NDSCJRHIMWNLKR-GFOJFJKKSA-N 2 2 369.509 1.726 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087622452 821780748 /nfs/dbraw/zinc/78/07/48/821780748.db2.gz NDSCJRHIMWNLKR-GFOJFJKKSA-N 2 2 369.509 1.726 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CC#Cc1ccccc1 ZINC001087622452 821780762 /nfs/dbraw/zinc/78/07/62/821780762.db2.gz NDSCJRHIMWNLKR-GFOJFJKKSA-N 2 2 369.509 1.726 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CC#Cc1ccccc1 ZINC001087622452 821780770 /nfs/dbraw/zinc/78/07/70/821780770.db2.gz NDSCJRHIMWNLKR-GFOJFJKKSA-N 2 2 369.509 1.726 20 30 FDEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+](C3CC3)CC2)CCC[N@@H+]1C ZINC000329499575 824837676 /nfs/dbraw/zinc/83/76/76/824837676.db2.gz KAHABKCNHCWJME-MAUKXSAKSA-N 2 2 360.506 1.497 20 30 FDEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+](C3CC3)CC2)CCC[N@H+]1C ZINC000329499575 824837684 /nfs/dbraw/zinc/83/76/84/824837684.db2.gz KAHABKCNHCWJME-MAUKXSAKSA-N 2 2 360.506 1.497 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNc1ncccc1C#N ZINC000729602702 832390426 /nfs/dbraw/zinc/39/04/26/832390426.db2.gz CPPDVDNIVCUWNL-UHFFFAOYSA-N 2 2 373.505 1.033 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNc1ncccc1C#N ZINC000729602702 832390434 /nfs/dbraw/zinc/39/04/34/832390434.db2.gz CPPDVDNIVCUWNL-UHFFFAOYSA-N 2 2 373.505 1.033 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(c2cccc(C)c2)CC1 ZINC000087325048 841598394 /nfs/dbraw/zinc/59/83/94/841598394.db2.gz YGWXSISWOSOZGR-UHFFFAOYSA-N 2 2 369.517 1.692 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105647515 842413631 /nfs/dbraw/zinc/41/36/31/842413631.db2.gz RQPOZCJCGNKWMM-HNBVOPMISA-N 2 2 358.486 1.263 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105654992 842481393 /nfs/dbraw/zinc/48/13/93/842481393.db2.gz COARBBRUWZZIEW-HNBVOPMISA-N 2 2 360.502 1.885 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@H]1O ZINC001077158405 849952328 /nfs/dbraw/zinc/95/23/28/849952328.db2.gz CZDQIVXKSMYJJU-QHAWAJNXSA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)C[C@H]1O ZINC001077158405 849952330 /nfs/dbraw/zinc/95/23/30/849952330.db2.gz CZDQIVXKSMYJJU-QHAWAJNXSA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@H]1O ZINC001077158405 849952336 /nfs/dbraw/zinc/95/23/36/849952336.db2.gz CZDQIVXKSMYJJU-QHAWAJNXSA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@H]1O ZINC001077158405 849952338 /nfs/dbraw/zinc/95/23/38/849952338.db2.gz CZDQIVXKSMYJJU-QHAWAJNXSA-N 2 2 369.509 1.569 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001033183610 881684892 /nfs/dbraw/zinc/68/48/92/881684892.db2.gz COYXTHLHWVTOHI-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001033183610 881684895 /nfs/dbraw/zinc/68/48/95/881684895.db2.gz COYXTHLHWVTOHI-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001033183610 881684898 /nfs/dbraw/zinc/68/48/98/881684898.db2.gz COYXTHLHWVTOHI-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001033183610 881684904 /nfs/dbraw/zinc/68/49/04/881684904.db2.gz COYXTHLHWVTOHI-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414848 912223929 /nfs/dbraw/zinc/22/39/29/912223929.db2.gz WKCRETRSWRFDQW-WOJBJXKFSA-N 2 2 355.482 1.338 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414848 912223946 /nfs/dbraw/zinc/22/39/46/912223946.db2.gz WKCRETRSWRFDQW-WOJBJXKFSA-N 2 2 355.482 1.338 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212414848 912223965 /nfs/dbraw/zinc/22/39/65/912223965.db2.gz WKCRETRSWRFDQW-WOJBJXKFSA-N 2 2 355.482 1.338 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212414848 912223980 /nfs/dbraw/zinc/22/39/80/912223980.db2.gz WKCRETRSWRFDQW-WOJBJXKFSA-N 2 2 355.482 1.338 20 30 FDEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083832427 879199531 /nfs/dbraw/zinc/19/95/31/879199531.db2.gz GKGPDPCZHJGIPL-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083832427 879199545 /nfs/dbraw/zinc/19/95/45/879199545.db2.gz GKGPDPCZHJGIPL-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083832427 879199550 /nfs/dbraw/zinc/19/95/50/879199550.db2.gz GKGPDPCZHJGIPL-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083832427 879199559 /nfs/dbraw/zinc/19/95/59/879199559.db2.gz GKGPDPCZHJGIPL-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001129084167 885707459 /nfs/dbraw/zinc/70/74/59/885707459.db2.gz DKJQYFYSWOLJTE-BBWFWOEESA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001129084167 885707467 /nfs/dbraw/zinc/70/74/67/885707467.db2.gz DKJQYFYSWOLJTE-BBWFWOEESA-N 2 2 369.473 1.045 20 30 FDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)CC[N@@H+]1C ZINC001077571901 892521081 /nfs/dbraw/zinc/52/10/81/892521081.db2.gz XUJKFHUFGGCJSD-WRFANHODSA-N 2 2 362.499 1.011 20 30 FDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)CC[N@H+]1C ZINC001077571901 892521090 /nfs/dbraw/zinc/52/10/90/892521090.db2.gz XUJKFHUFGGCJSD-WRFANHODSA-N 2 2 362.499 1.011 20 30 FDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CC[NH+]1C ZINC001077571901 892521095 /nfs/dbraw/zinc/52/10/95/892521095.db2.gz XUJKFHUFGGCJSD-WRFANHODSA-N 2 2 362.499 1.011 20 30 FDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CC[NH+]1C ZINC001077571901 892521105 /nfs/dbraw/zinc/52/11/05/892521105.db2.gz XUJKFHUFGGCJSD-WRFANHODSA-N 2 2 362.499 1.011 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637346 894348103 /nfs/dbraw/zinc/34/81/03/894348103.db2.gz FGRQGNCNYNXGNJ-HOTGVXAUSA-N 2 2 350.507 1.132 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637346 894348109 /nfs/dbraw/zinc/34/81/09/894348109.db2.gz FGRQGNCNYNXGNJ-HOTGVXAUSA-N 2 2 350.507 1.132 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084417983 914380786 /nfs/dbraw/zinc/38/07/86/914380786.db2.gz PGUWJRGJIDMIBJ-QHAWAJNXSA-N 2 2 362.477 1.689 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084417983 914380799 /nfs/dbraw/zinc/38/07/99/914380799.db2.gz PGUWJRGJIDMIBJ-QHAWAJNXSA-N 2 2 362.477 1.689 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084417983 914380817 /nfs/dbraw/zinc/38/08/17/914380817.db2.gz PGUWJRGJIDMIBJ-QHAWAJNXSA-N 2 2 362.477 1.689 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084417983 914380833 /nfs/dbraw/zinc/38/08/33/914380833.db2.gz PGUWJRGJIDMIBJ-QHAWAJNXSA-N 2 2 362.477 1.689 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3ccns3)C[C@H]21 ZINC001084417815 914376689 /nfs/dbraw/zinc/37/66/89/914376689.db2.gz HAPVGJCBMUJHPK-BPQIPLTHSA-N 2 2 358.511 1.316 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3ccns3)C[C@H]21 ZINC001084417815 914376712 /nfs/dbraw/zinc/37/67/12/914376712.db2.gz HAPVGJCBMUJHPK-BPQIPLTHSA-N 2 2 358.511 1.316 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccns3)C[C@H]21 ZINC001084417815 914376725 /nfs/dbraw/zinc/37/67/25/914376725.db2.gz HAPVGJCBMUJHPK-BPQIPLTHSA-N 2 2 358.511 1.316 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccns3)C[C@H]21 ZINC001084417815 914376747 /nfs/dbraw/zinc/37/67/47/914376747.db2.gz HAPVGJCBMUJHPK-BPQIPLTHSA-N 2 2 358.511 1.316 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C[C@H]21 ZINC001084417787 914376860 /nfs/dbraw/zinc/37/68/60/914376860.db2.gz DYWJLZUNUOWIDI-IXDOHACOSA-N 2 2 351.441 1.662 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC(F)(F)C3)C[C@H]21 ZINC001084417787 914376875 /nfs/dbraw/zinc/37/68/75/914376875.db2.gz DYWJLZUNUOWIDI-IXDOHACOSA-N 2 2 351.441 1.662 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CC(F)(F)C3)C[C@H]21 ZINC001084417787 914376890 /nfs/dbraw/zinc/37/68/90/914376890.db2.gz DYWJLZUNUOWIDI-IXDOHACOSA-N 2 2 351.441 1.662 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CC(F)(F)C3)C[C@H]21 ZINC001084417787 914376904 /nfs/dbraw/zinc/37/69/04/914376904.db2.gz DYWJLZUNUOWIDI-IXDOHACOSA-N 2 2 351.441 1.662 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCn3nc(C)cc3C)C[C@H]21 ZINC001084417903 914378409 /nfs/dbraw/zinc/37/84/09/914378409.db2.gz LCOZSHDGSKRUBH-HSALFYBXSA-N 2 2 369.513 1.130 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCn3nc(C)cc3C)C[C@H]21 ZINC001084417903 914378416 /nfs/dbraw/zinc/37/84/16/914378416.db2.gz LCOZSHDGSKRUBH-HSALFYBXSA-N 2 2 369.513 1.130 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCn3nc(C)cc3C)C[C@H]21 ZINC001084417903 914378430 /nfs/dbraw/zinc/37/84/30/914378430.db2.gz LCOZSHDGSKRUBH-HSALFYBXSA-N 2 2 369.513 1.130 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCn3nc(C)cc3C)C[C@H]21 ZINC001084417903 914378447 /nfs/dbraw/zinc/37/84/47/914378447.db2.gz LCOZSHDGSKRUBH-HSALFYBXSA-N 2 2 369.513 1.130 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079253692 902277435 /nfs/dbraw/zinc/27/74/35/902277435.db2.gz CPANTRYBBLEYSK-ZWKOTPCHSA-N 2 2 370.497 1.315 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1ccccc1F ZINC001079300568 902346002 /nfs/dbraw/zinc/34/60/02/902346002.db2.gz OHDSWJBUGWLHCZ-MOXGXCLJSA-N 2 2 366.440 1.802 20 30 FDEDLP C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000996776448 905302069 /nfs/dbraw/zinc/30/20/69/905302069.db2.gz NHUIWHAXTRADOZ-OPQOLIRYSA-N 2 2 355.486 1.191 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)C1=O ZINC001107654745 906252221 /nfs/dbraw/zinc/25/22/21/906252221.db2.gz HNSYXPZPNCSMAC-SQGPQFPESA-N 2 2 371.485 1.031 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)C1=O ZINC001107654745 906252235 /nfs/dbraw/zinc/25/22/35/906252235.db2.gz HNSYXPZPNCSMAC-SQGPQFPESA-N 2 2 371.485 1.031 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080979236 906846706 /nfs/dbraw/zinc/84/67/06/906846706.db2.gz HPFDTKPXAIDZST-MISYRCLQSA-N 2 2 355.482 1.195 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080979236 906846718 /nfs/dbraw/zinc/84/67/18/906846718.db2.gz HPFDTKPXAIDZST-MISYRCLQSA-N 2 2 355.482 1.195 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080979236 906846728 /nfs/dbraw/zinc/84/67/28/906846728.db2.gz HPFDTKPXAIDZST-MISYRCLQSA-N 2 2 355.482 1.195 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080979236 906846738 /nfs/dbraw/zinc/84/67/38/906846738.db2.gz HPFDTKPXAIDZST-MISYRCLQSA-N 2 2 355.482 1.195 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036077 907003004 /nfs/dbraw/zinc/00/30/04/907003004.db2.gz LWCDAUOZZKDUAF-CRAIPNDOSA-N 2 2 353.426 1.422 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036077 907003022 /nfs/dbraw/zinc/00/30/22/907003022.db2.gz LWCDAUOZZKDUAF-CRAIPNDOSA-N 2 2 353.426 1.422 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371321 907234446 /nfs/dbraw/zinc/23/44/46/907234446.db2.gz BZNOEMLHLQIVHM-QZTJIDSGSA-N 2 2 353.426 1.079 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371321 907234463 /nfs/dbraw/zinc/23/44/63/907234463.db2.gz BZNOEMLHLQIVHM-QZTJIDSGSA-N 2 2 353.426 1.079 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC001082568935 908715384 /nfs/dbraw/zinc/71/53/84/908715384.db2.gz ZFGIPNDFZHTOIU-AHRSYUTCSA-N 2 2 369.513 1.254 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC001082568935 908715396 /nfs/dbraw/zinc/71/53/96/908715396.db2.gz ZFGIPNDFZHTOIU-AHRSYUTCSA-N 2 2 369.513 1.254 20 30 FDEDLP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000265611291 908868922 /nfs/dbraw/zinc/86/89/22/908868922.db2.gz NUCJJKBYVPXEQO-IBGZPJMESA-N 2 2 371.485 1.106 20 30 FDEDLP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000265611291 908868938 /nfs/dbraw/zinc/86/89/38/908868938.db2.gz NUCJJKBYVPXEQO-IBGZPJMESA-N 2 2 371.485 1.106 20 30 FDEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C)C1=O ZINC001082640575 909264584 /nfs/dbraw/zinc/26/45/84/909264584.db2.gz HIDZRCDGOWAPFS-BZUAXINKSA-N 2 2 367.453 1.171 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082893098 910741390 /nfs/dbraw/zinc/74/13/90/910741390.db2.gz LVAIZWNVVXAHPR-DNVCBOLYSA-N 2 2 351.454 1.861 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(C)ncn3)[C@H]2C1 ZINC001084960977 918905161 /nfs/dbraw/zinc/90/51/61/918905161.db2.gz CKPJGNJAMXBAIH-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(C)ncn3)[C@H]2C1 ZINC001084960977 918905162 /nfs/dbraw/zinc/90/51/62/918905162.db2.gz CKPJGNJAMXBAIH-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cc(C)ncn3)[C@H]2C1 ZINC001084960977 918905165 /nfs/dbraw/zinc/90/51/65/918905165.db2.gz CKPJGNJAMXBAIH-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cc(C)ncn3)[C@H]2C1 ZINC001084960977 918905172 /nfs/dbraw/zinc/90/51/72/918905172.db2.gz CKPJGNJAMXBAIH-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]21 ZINC001084998386 919388611 /nfs/dbraw/zinc/38/86/11/919388611.db2.gz JMNZPVHHKQBSJX-AABGKKOBSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]21 ZINC001084998386 919388629 /nfs/dbraw/zinc/38/86/29/919388629.db2.gz JMNZPVHHKQBSJX-AABGKKOBSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998386 919388647 /nfs/dbraw/zinc/38/86/47/919388647.db2.gz JMNZPVHHKQBSJX-AABGKKOBSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998386 919388664 /nfs/dbraw/zinc/38/86/64/919388664.db2.gz JMNZPVHHKQBSJX-AABGKKOBSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(C)no2)CC1 ZINC001085432654 924679630 /nfs/dbraw/zinc/67/96/30/924679630.db2.gz JJVRHGKPYRKYON-IAGOWNOFSA-N 2 2 359.474 1.240 20 30 FDEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231369 925711539 /nfs/dbraw/zinc/71/15/39/925711539.db2.gz SPYLITMTPORSSK-RZUBCFFCSA-N 2 2 369.509 1.562 20 30 FDEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231369 925711551 /nfs/dbraw/zinc/71/15/51/925711551.db2.gz SPYLITMTPORSSK-RZUBCFFCSA-N 2 2 369.509 1.562 20 30 FDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231369 925711557 /nfs/dbraw/zinc/71/15/57/925711557.db2.gz SPYLITMTPORSSK-RZUBCFFCSA-N 2 2 369.509 1.562 20 30 FDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231369 925711566 /nfs/dbraw/zinc/71/15/66/925711566.db2.gz SPYLITMTPORSSK-RZUBCFFCSA-N 2 2 369.509 1.562 20 30 FDEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086111315 926024583 /nfs/dbraw/zinc/02/45/83/926024583.db2.gz DIXCEUHYBIQMIZ-YVECIDJPSA-N 2 2 353.264 1.906 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798287 930435162 /nfs/dbraw/zinc/43/51/62/930435162.db2.gz DFDWTPMKJRIEDA-OWSLCNJRSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798287 930435167 /nfs/dbraw/zinc/43/51/67/930435167.db2.gz DFDWTPMKJRIEDA-OWSLCNJRSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798287 930435176 /nfs/dbraw/zinc/43/51/76/930435176.db2.gz DFDWTPMKJRIEDA-OWSLCNJRSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798287 930435203 /nfs/dbraw/zinc/43/52/03/930435203.db2.gz DFDWTPMKJRIEDA-OWSLCNJRSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109960876 930889492 /nfs/dbraw/zinc/88/94/92/930889492.db2.gz BKIZXNRYNQNKDK-QYZOEREBSA-N 2 2 374.529 1.132 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109960876 930889507 /nfs/dbraw/zinc/88/95/07/930889507.db2.gz BKIZXNRYNQNKDK-QYZOEREBSA-N 2 2 374.529 1.132 20 30 FDEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001112582565 931750707 /nfs/dbraw/zinc/75/07/07/931750707.db2.gz CVZBXZBQZUVNEM-ZVDOUQERSA-N 2 2 361.530 1.892 20 30 FDEDLP N#CCCn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccncc2)n1 ZINC000788512707 932719989 /nfs/dbraw/zinc/71/99/89/932719989.db2.gz MZCASFGCPWWXKF-OALUTQOASA-N 2 2 366.469 1.812 20 30 FDEDLP N#CCCn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccncc2)n1 ZINC000788512707 932719992 /nfs/dbraw/zinc/71/99/92/932719992.db2.gz MZCASFGCPWWXKF-OALUTQOASA-N 2 2 366.469 1.812 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129484704 938439836 /nfs/dbraw/zinc/43/98/36/938439836.db2.gz BYRMCNXSQHDJLT-KSZLIROESA-N 2 2 371.489 1.651 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129484704 938439839 /nfs/dbraw/zinc/43/98/39/938439839.db2.gz BYRMCNXSQHDJLT-KSZLIROESA-N 2 2 371.489 1.651 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129887532 938540134 /nfs/dbraw/zinc/54/01/34/938540134.db2.gz DGQRAQKBWITRLV-UAGQMJEPSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129887532 938540135 /nfs/dbraw/zinc/54/01/35/938540135.db2.gz DGQRAQKBWITRLV-UAGQMJEPSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001130290620 938795039 /nfs/dbraw/zinc/79/50/39/938795039.db2.gz HLPBPEIAHGBADI-APWZRJJASA-N 2 2 359.474 1.004 20 30 FDEDLP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001130290620 938795040 /nfs/dbraw/zinc/79/50/40/938795040.db2.gz HLPBPEIAHGBADI-APWZRJJASA-N 2 2 359.474 1.004 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cn(C)cn1 ZINC001130617250 939928843 /nfs/dbraw/zinc/92/88/43/939928843.db2.gz WPYPHMGFERYURQ-XYJFISCASA-N 2 2 368.485 1.339 20 30 FDEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130790067 940162612 /nfs/dbraw/zinc/16/26/12/940162612.db2.gz GJEWFXFTMNSITO-RRFJBIMHSA-N 2 2 364.494 1.147 20 30 FDEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]2)O1 ZINC001130820236 940227768 /nfs/dbraw/zinc/22/77/68/940227768.db2.gz PIFGFFCPJXPSND-LSDHHAIUSA-N 2 2 364.494 1.147 20 30 FDEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]2)O1 ZINC001130820236 940227772 /nfs/dbraw/zinc/22/77/72/940227772.db2.gz PIFGFFCPJXPSND-LSDHHAIUSA-N 2 2 364.494 1.147 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001131522372 940705643 /nfs/dbraw/zinc/70/56/43/940705643.db2.gz DSLCHNFQDJLZEZ-GGPKGHCWSA-N 2 2 370.497 1.455 20 30 FDEDLP C[NH+]1CCC[C@@]2(CC[NH+](CC#CCN3CC[C@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815144043 941791570 /nfs/dbraw/zinc/79/15/70/941791570.db2.gz RTKDOUGCPNOYJN-FGZHOGPDSA-N 3 2 358.574 1.825 20 30 FDEDLP C[NH+]1CCC[C@@]2(CC[NH+](CC#CCN3CC[C@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815144043 941791573 /nfs/dbraw/zinc/79/15/73/941791573.db2.gz RTKDOUGCPNOYJN-FGZHOGPDSA-N 3 2 358.574 1.825 20 30 FDEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC#CCN3CC[C@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815144043 941791575 /nfs/dbraw/zinc/79/15/75/941791575.db2.gz RTKDOUGCPNOYJN-FGZHOGPDSA-N 3 2 358.574 1.825 20 30 FDEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC#CCN3CC[C@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815144043 941791579 /nfs/dbraw/zinc/79/15/79/941791579.db2.gz RTKDOUGCPNOYJN-FGZHOGPDSA-N 3 2 358.574 1.825 20 30 FDEDLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001195701960 971170232 /nfs/dbraw/zinc/17/02/32/971170232.db2.gz VWKWLTUGDNOADM-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001195701960 971170238 /nfs/dbraw/zinc/17/02/38/971170238.db2.gz VWKWLTUGDNOADM-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC001092595770 955590987 /nfs/dbraw/zinc/59/09/87/955590987.db2.gz BECJLEUJXTZUEL-LZQZEXGQSA-N 2 2 369.513 1.770 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC001092595770 955590996 /nfs/dbraw/zinc/59/09/96/955590996.db2.gz BECJLEUJXTZUEL-LZQZEXGQSA-N 2 2 369.513 1.770 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001093449435 958116403 /nfs/dbraw/zinc/11/64/03/958116403.db2.gz GWYKGFJJSWTTIG-BNDYYXHWSA-N 2 2 366.465 1.776 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001093472741 958240418 /nfs/dbraw/zinc/24/04/18/958240418.db2.gz MTHMCFUWHZXVLS-KNCCTNLNSA-N 2 2 366.893 1.671 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncc(C)o1)CC2 ZINC001094437130 960482587 /nfs/dbraw/zinc/48/25/87/960482587.db2.gz OERSJJRFNQCUOJ-WAOWUJCRSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncc(C)o1)CC2 ZINC001094437130 960482594 /nfs/dbraw/zinc/48/25/94/960482594.db2.gz OERSJJRFNQCUOJ-WAOWUJCRSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ncc(C)o1)CC2 ZINC001094437130 960482608 /nfs/dbraw/zinc/48/26/08/960482608.db2.gz OERSJJRFNQCUOJ-WAOWUJCRSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ncc(C)o1)CC2 ZINC001094437130 960482620 /nfs/dbraw/zinc/48/26/20/960482620.db2.gz OERSJJRFNQCUOJ-WAOWUJCRSA-N 2 2 370.497 1.941 20 30 FDEDLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183840937 963306756 /nfs/dbraw/zinc/30/67/56/963306756.db2.gz KILVEJJNVZUNQG-SFHVURJKSA-N 2 2 372.469 1.263 20 30 FDEDLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183840937 963306771 /nfs/dbraw/zinc/30/67/71/963306771.db2.gz KILVEJJNVZUNQG-SFHVURJKSA-N 2 2 372.469 1.263 20 30 FDEDLP C#CCC[N@@H+](CCOC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000852752293 967578189 /nfs/dbraw/zinc/57/81/89/967578189.db2.gz XRMHFUJHIUIFSB-IBGZPJMESA-N 2 2 357.498 1.864 20 30 FDEDLP C#CCC[N@H+](CCOC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000852752293 967578192 /nfs/dbraw/zinc/57/81/92/967578192.db2.gz XRMHFUJHIUIFSB-IBGZPJMESA-N 2 2 357.498 1.864 20 30 FDEDLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2O)CCCC1 ZINC001195006880 970612499 /nfs/dbraw/zinc/61/24/99/970612499.db2.gz RIMLEVSQBSYTSA-RTBURBONSA-N 2 2 370.497 1.484 20 30 FDEDLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2O)CCCC1 ZINC001195006880 970612508 /nfs/dbraw/zinc/61/25/08/970612508.db2.gz RIMLEVSQBSYTSA-RTBURBONSA-N 2 2 370.497 1.484 20 30 FDEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197950199 972589854 /nfs/dbraw/zinc/58/98/54/972589854.db2.gz WUJXZMYSONBUOR-HZPDHXFCSA-N 2 2 350.488 1.013 20 30 FDEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001197950199 972589861 /nfs/dbraw/zinc/58/98/61/972589861.db2.gz WUJXZMYSONBUOR-HZPDHXFCSA-N 2 2 350.488 1.013 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC2(C#N)CCOCC2)cc1 ZINC001198036886 972715996 /nfs/dbraw/zinc/71/59/96/972715996.db2.gz QATGYHWBYRZADC-UHFFFAOYSA-N 2 2 358.486 1.873 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC2(C#N)CCOCC2)cc1 ZINC001198036886 972716005 /nfs/dbraw/zinc/71/60/05/972716005.db2.gz QATGYHWBYRZADC-UHFFFAOYSA-N 2 2 358.486 1.873 20 30 FDEDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](O)CC3(C#N)CC3)CC2)cc1 ZINC000863546673 973002226 /nfs/dbraw/zinc/00/22/26/973002226.db2.gz DPFHRICDRDYPMO-LJQANCHMSA-N 2 2 372.513 1.852 20 30 FDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCO1 ZINC001200528423 974807441 /nfs/dbraw/zinc/80/74/41/974807441.db2.gz KSBPJVQOBZUYPL-CEXWTWQISA-N 2 2 370.497 1.384 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000866667411 975889317 /nfs/dbraw/zinc/88/93/17/975889317.db2.gz LKCDTDXHOLJUOC-OKYOBFRVSA-N 2 2 357.454 1.991 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000866667411 975889330 /nfs/dbraw/zinc/88/93/30/975889330.db2.gz LKCDTDXHOLJUOC-OKYOBFRVSA-N 2 2 357.454 1.991 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000884223369 982997154 /nfs/dbraw/zinc/99/71/54/982997154.db2.gz OYKFPPJDRHILDW-BQFCYCMXSA-N 2 2 373.497 1.706 20 30 FDEDLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884236344 983014338 /nfs/dbraw/zinc/01/43/38/983014338.db2.gz SCFLJUFVSSRMLE-VHJHTJHASA-N 2 2 353.470 1.426 20 30 FDEDLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)CC1 ZINC000369156745 989032099 /nfs/dbraw/zinc/03/20/99/989032099.db2.gz PUSVLTROZZKUCR-UHFFFAOYSA-N 2 2 374.533 1.134 20 30 FDEDLP C=CCN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363512526 989260098 /nfs/dbraw/zinc/26/00/98/989260098.db2.gz VPAIHYWXIFFPGQ-NHCUHLMSSA-N 2 2 359.514 1.442 20 30 FDEDLP C=CCN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363512526 989260101 /nfs/dbraw/zinc/26/01/01/989260101.db2.gz VPAIHYWXIFFPGQ-NHCUHLMSSA-N 2 2 359.514 1.442 20 30 FDEDLP CCCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875215458 991097446 /nfs/dbraw/zinc/09/74/46/991097446.db2.gz WUVYGHXCJGEVHX-INIZCTEOSA-N 2 2 352.523 1.358 20 30 FDEDLP CCCCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875215458 991097453 /nfs/dbraw/zinc/09/74/53/991097453.db2.gz WUVYGHXCJGEVHX-INIZCTEOSA-N 2 2 352.523 1.358 20 30 FDEDLP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876736316 992853099 /nfs/dbraw/zinc/85/30/99/992853099.db2.gz LSAHXEWQHSLTPS-FQEVSTJZSA-N 2 2 369.513 1.135 20 30 FDEDLP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876736316 992853105 /nfs/dbraw/zinc/85/31/05/992853105.db2.gz LSAHXEWQHSLTPS-FQEVSTJZSA-N 2 2 369.513 1.135 20 30 FDEDLP CCN1CC[NH+](CCCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782513 992909883 /nfs/dbraw/zinc/90/98/83/992909883.db2.gz WNWJVAXXNPSYEH-FQEVSTJZSA-N 2 2 369.513 1.279 20 30 FDEDLP CC[NH+]1CCN(CCCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782513 992909886 /nfs/dbraw/zinc/90/98/86/992909886.db2.gz WNWJVAXXNPSYEH-FQEVSTJZSA-N 2 2 369.513 1.279 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000879584766 995049251 /nfs/dbraw/zinc/04/92/51/995049251.db2.gz INOGXOKGNDJITL-UHFFFAOYSA-N 2 2 355.486 1.281 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949079 1001645940 /nfs/dbraw/zinc/64/59/40/1001645940.db2.gz XLWHLJACSYRCJR-ISARSNTHSA-N 2 2 356.470 1.125 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949079 1001645942 /nfs/dbraw/zinc/64/59/42/1001645942.db2.gz XLWHLJACSYRCJR-ISARSNTHSA-N 2 2 356.470 1.125 20 30 FDEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cncc(C#N)c3)CC2)CC1 ZINC000929609749 1002261473 /nfs/dbraw/zinc/26/14/73/1002261473.db2.gz LSXHMARSSUKSSB-UHFFFAOYSA-N 2 2 355.486 1.719 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111277245 1002470002 /nfs/dbraw/zinc/47/00/02/1002470002.db2.gz IEUWGBFLUOJSSC-QRQLOZEOSA-N 2 2 374.460 1.497 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111277245 1002470013 /nfs/dbraw/zinc/47/00/13/1002470013.db2.gz IEUWGBFLUOJSSC-QRQLOZEOSA-N 2 2 374.460 1.497 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931285304 1004026019 /nfs/dbraw/zinc/02/60/19/1004026019.db2.gz JRFUSKGNFFLTIR-FQEVSTJZSA-N 2 2 373.497 1.679 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931285304 1004026029 /nfs/dbraw/zinc/02/60/29/1004026029.db2.gz JRFUSKGNFFLTIR-FQEVSTJZSA-N 2 2 373.497 1.679 20 30 FDEDLP CC[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303906566 1009687923 /nfs/dbraw/zinc/68/79/23/1009687923.db2.gz WFDXCDZVCUAYCF-HXUWFJFHSA-N 3 2 373.545 1.450 20 30 FDEDLP CC[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000303906566 1009687929 /nfs/dbraw/zinc/68/79/29/1009687929.db2.gz WFDXCDZVCUAYCF-HXUWFJFHSA-N 3 2 373.545 1.450 20 30 FDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000539516117 540968177 /nfs/dbraw/zinc/96/81/77/540968177.db2.gz WZTXAZSVUBCLSZ-OAQYLSRUSA-N 2 2 361.449 1.933 20 30 FDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000539516117 540968178 /nfs/dbraw/zinc/96/81/78/540968178.db2.gz WZTXAZSVUBCLSZ-OAQYLSRUSA-N 2 2 361.449 1.933 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131169239 173192379 /nfs/dbraw/zinc/19/23/79/173192379.db2.gz CXFLEBWTENCCNJ-KRWDZBQOSA-N 2 2 372.469 1.360 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131169239 173192382 /nfs/dbraw/zinc/19/23/82/173192382.db2.gz CXFLEBWTENCCNJ-KRWDZBQOSA-N 2 2 372.469 1.360 20 30 FDEDLP N#Cc1cccc(OCCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131398686 173200584 /nfs/dbraw/zinc/20/05/84/173200584.db2.gz RTKDECPRRXZNEI-LJQANCHMSA-N 2 2 356.470 1.741 20 30 FDEDLP N#Cc1cccc(OCCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131398686 173200585 /nfs/dbraw/zinc/20/05/85/173200585.db2.gz RTKDECPRRXZNEI-LJQANCHMSA-N 2 2 356.470 1.741 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276073 260330889 /nfs/dbraw/zinc/33/08/89/260330889.db2.gz FGELPOLXTNKONJ-NVXWUHKLSA-N 2 2 356.470 1.610 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276073 260330890 /nfs/dbraw/zinc/33/08/90/260330890.db2.gz FGELPOLXTNKONJ-NVXWUHKLSA-N 2 2 356.470 1.610 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111230848 524226804 /nfs/dbraw/zinc/22/68/04/524226804.db2.gz PENLDPLKONAPIL-RTBURBONSA-N 2 2 350.551 1.901 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111230848 524226812 /nfs/dbraw/zinc/22/68/12/524226812.db2.gz PENLDPLKONAPIL-RTBURBONSA-N 2 2 350.551 1.901 20 30 FDEDLP CCC[NH+]1CCC(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1 ZINC000112358078 524469577 /nfs/dbraw/zinc/46/95/77/524469577.db2.gz CSRXFUVJGFYRHQ-FQEVSTJZSA-N 2 2 361.534 1.287 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159100589 524593274 /nfs/dbraw/zinc/59/32/74/524593274.db2.gz KQNIOSPFQIYYCP-MOPGFXCFSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159100589 524593280 /nfs/dbraw/zinc/59/32/80/524593280.db2.gz KQNIOSPFQIYYCP-MOPGFXCFSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159100589 524593291 /nfs/dbraw/zinc/59/32/91/524593291.db2.gz KQNIOSPFQIYYCP-MOPGFXCFSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159100589 524593296 /nfs/dbraw/zinc/59/32/96/524593296.db2.gz KQNIOSPFQIYYCP-MOPGFXCFSA-N 2 2 370.497 1.985 20 30 FDEDLP C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159956475 524775929 /nfs/dbraw/zinc/77/59/29/524775929.db2.gz VAGGIGQYBBFACA-JKSUJKDBSA-N 2 2 370.505 1.860 20 30 FDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123554981 524776787 /nfs/dbraw/zinc/77/67/87/524776787.db2.gz UXPDJSVWUKNCQK-KRWDZBQOSA-N 2 2 354.458 1.238 20 30 FDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123554981 524776798 /nfs/dbraw/zinc/77/67/98/524776798.db2.gz UXPDJSVWUKNCQK-KRWDZBQOSA-N 2 2 354.458 1.238 20 30 FDEDLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000160263824 524842899 /nfs/dbraw/zinc/84/28/99/524842899.db2.gz MUYJPIJMVGMWBV-KRWDZBQOSA-N 2 2 351.410 1.717 20 30 FDEDLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000160263824 524842910 /nfs/dbraw/zinc/84/29/10/524842910.db2.gz MUYJPIJMVGMWBV-KRWDZBQOSA-N 2 2 351.410 1.717 20 30 FDEDLP COCC[N@H+](C)CCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153980408 525381384 /nfs/dbraw/zinc/38/13/84/525381384.db2.gz BUOBLIHEISBUEE-UHFFFAOYSA-N 2 2 371.485 1.614 20 30 FDEDLP COCC[N@@H+](C)CCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153980408 525381392 /nfs/dbraw/zinc/38/13/92/525381392.db2.gz BUOBLIHEISBUEE-UHFFFAOYSA-N 2 2 371.485 1.614 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)cc1F ZINC000105721925 525528930 /nfs/dbraw/zinc/52/89/30/525528930.db2.gz FXEWBYRPNRGUMZ-UHFFFAOYSA-N 2 2 361.465 1.865 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)cc1F ZINC000105721925 525528943 /nfs/dbraw/zinc/52/89/43/525528943.db2.gz FXEWBYRPNRGUMZ-UHFFFAOYSA-N 2 2 361.465 1.865 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCN(c2ccccc2)C1 ZINC000262802336 536905803 /nfs/dbraw/zinc/90/58/03/536905803.db2.gz RDFCAWNCYBHXJF-HNNXBMFYSA-N 2 2 355.490 1.430 20 30 FDEDLP C[NH+]=C(NC[C@H]1CCCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263255654 537002055 /nfs/dbraw/zinc/00/20/55/537002055.db2.gz QNQQYCANFQWSBX-QGZVFWFLSA-N 2 2 352.523 1.756 20 30 FDEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246947069 537056702 /nfs/dbraw/zinc/05/67/02/537056702.db2.gz QZODQRHKUBGRCJ-ICSRJNTNSA-N 2 2 360.498 1.809 20 30 FDEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246947069 537056705 /nfs/dbraw/zinc/05/67/05/537056705.db2.gz QZODQRHKUBGRCJ-ICSRJNTNSA-N 2 2 360.498 1.809 20 30 FDEDLP Cn1cc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000190912169 537190666 /nfs/dbraw/zinc/19/06/66/537190666.db2.gz GWHJXODKOVZLQL-UHFFFAOYSA-N 2 2 352.442 1.120 20 30 FDEDLP CCn1cc[nH+]c1[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000329165424 537634609 /nfs/dbraw/zinc/63/46/09/537634609.db2.gz HEKPUBCQQMCNBN-NVXWUHKLSA-N 2 2 363.506 1.963 20 30 FDEDLP C#Cc1ccc(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000290125673 537675515 /nfs/dbraw/zinc/67/55/15/537675515.db2.gz UOOVPPOSKZXQGH-UHFFFAOYSA-N 2 2 363.465 1.617 20 30 FDEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000570812521 549421636 /nfs/dbraw/zinc/42/16/36/549421636.db2.gz BUVQOTSRQGOOJX-LJQANCHMSA-N 2 2 374.485 1.148 20 30 FDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000570812521 549421639 /nfs/dbraw/zinc/42/16/39/549421639.db2.gz BUVQOTSRQGOOJX-LJQANCHMSA-N 2 2 374.485 1.148 20 30 FDEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592146367 551949299 /nfs/dbraw/zinc/94/92/99/551949299.db2.gz CHRSQDMRFUOGBE-XLIONFOSSA-N 2 2 356.470 1.242 20 30 FDEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592146367 551949300 /nfs/dbraw/zinc/94/93/00/551949300.db2.gz CHRSQDMRFUOGBE-XLIONFOSSA-N 2 2 356.470 1.242 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552266 552582941 /nfs/dbraw/zinc/58/29/41/552582941.db2.gz RWDSDVZKDGGCHG-UHFFFAOYSA-N 2 2 355.442 1.829 20 30 FDEDLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839731 552621757 /nfs/dbraw/zinc/62/17/57/552621757.db2.gz IQTJEFVCYNHPCB-LAUBAEHRSA-N 2 2 370.497 1.759 20 30 FDEDLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839731 552621758 /nfs/dbraw/zinc/62/17/58/552621758.db2.gz IQTJEFVCYNHPCB-LAUBAEHRSA-N 2 2 370.497 1.759 20 30 FDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000598718370 552927969 /nfs/dbraw/zinc/92/79/69/552927969.db2.gz ALDNNUCNTPWUST-GOSISDBHSA-N 2 2 361.486 1.788 20 30 FDEDLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599663573 553116735 /nfs/dbraw/zinc/11/67/35/553116735.db2.gz IPODYAHQVIRPSV-GOSISDBHSA-N 2 2 365.518 1.635 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CNc3ccc(C#N)cc3)c2)CC1 ZINC000601803369 553477421 /nfs/dbraw/zinc/47/74/21/553477421.db2.gz GVSNWVNRJSBDOC-UHFFFAOYSA-N 2 2 350.426 1.756 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000602545778 553604006 /nfs/dbraw/zinc/60/40/06/553604006.db2.gz PUCLIMGTAGIZFI-ROUUACIJSA-N 2 2 350.507 1.081 20 30 FDEDLP CC[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000330273798 568072252 /nfs/dbraw/zinc/07/22/52/568072252.db2.gz ZSRXUTOCFRDSCP-WBVHZDCISA-N 2 2 361.490 1.676 20 30 FDEDLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCC#N ZINC000246069754 672484573 /nfs/dbraw/zinc/48/45/73/672484573.db2.gz BORNBDHACQRQRF-ZWKOTPCHSA-N 2 2 370.563 1.889 20 30 FDEDLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCC#N ZINC000246069754 672484577 /nfs/dbraw/zinc/48/45/77/672484577.db2.gz BORNBDHACQRQRF-ZWKOTPCHSA-N 2 2 370.563 1.889 20 30 FDEDLP C[NH+]=C(NC[C@H]1CCCS1)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000261939142 672697889 /nfs/dbraw/zinc/69/78/89/672697889.db2.gz DDZPDTFXZRICMD-QGZVFWFLSA-N 3 2 367.607 1.997 20 30 FDEDLP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000303790336 676543025 /nfs/dbraw/zinc/54/30/25/676543025.db2.gz WBWJMVGDCKAXNH-QZTJIDSGSA-N 3 2 353.555 1.512 20 30 FDEDLP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000303790336 676543028 /nfs/dbraw/zinc/54/30/28/676543028.db2.gz WBWJMVGDCKAXNH-QZTJIDSGSA-N 3 2 353.555 1.512 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@@H]3COCC[C@H]32)C1 ZINC000330176581 676676732 /nfs/dbraw/zinc/67/67/32/676676732.db2.gz KBMSALYEGBDZKS-BRWVUGGUSA-N 2 2 371.547 1.506 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@@H]3COCC[C@H]32)C1 ZINC000330176581 676676733 /nfs/dbraw/zinc/67/67/33/676676733.db2.gz KBMSALYEGBDZKS-BRWVUGGUSA-N 2 2 371.547 1.506 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)C1 ZINC000330176581 676676734 /nfs/dbraw/zinc/67/67/34/676676734.db2.gz KBMSALYEGBDZKS-BRWVUGGUSA-N 2 2 371.547 1.506 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)C1 ZINC000330176581 676676736 /nfs/dbraw/zinc/67/67/36/676676736.db2.gz KBMSALYEGBDZKS-BRWVUGGUSA-N 2 2 371.547 1.506 20 30 FDEDLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC#N ZINC000331323006 676727274 /nfs/dbraw/zinc/72/72/74/676727274.db2.gz LMXFHTRHFZLOQG-IRXDYDNUSA-N 2 2 356.536 1.499 20 30 FDEDLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC#N ZINC000331323006 676727276 /nfs/dbraw/zinc/72/72/76/676727276.db2.gz LMXFHTRHFZLOQG-IRXDYDNUSA-N 2 2 356.536 1.499 20 30 FDEDLP Cc1[nH+]c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ccc1CC#N ZINC001164795167 721519903 /nfs/dbraw/zinc/51/99/03/721519903.db2.gz KRRTVVKGUVPTHD-UHFFFAOYSA-N 2 2 365.485 1.420 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104664913 789231654 /nfs/dbraw/zinc/23/16/54/789231654.db2.gz BEEVOZQYHWYJMV-BRWVUGGUSA-N 2 2 358.486 1.554 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377770800 792760367 /nfs/dbraw/zinc/76/03/67/792760367.db2.gz QHVOXOXMHAUCNJ-ROUUACIJSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377770800 792760370 /nfs/dbraw/zinc/76/03/70/792760370.db2.gz QHVOXOXMHAUCNJ-ROUUACIJSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377770800 792760372 /nfs/dbraw/zinc/76/03/72/792760372.db2.gz QHVOXOXMHAUCNJ-ROUUACIJSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377770800 792760375 /nfs/dbraw/zinc/76/03/75/792760375.db2.gz QHVOXOXMHAUCNJ-ROUUACIJSA-N 2 2 356.470 1.452 20 30 FDEDLP C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261946099 811350424 /nfs/dbraw/zinc/35/04/24/811350424.db2.gz FZOVZHPENSMMNH-DLBZAZTESA-N 2 2 374.533 1.990 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710264 814832266 /nfs/dbraw/zinc/83/22/66/814832266.db2.gz SXEBCKJDVRVFDP-QRVBRYPASA-N 2 2 365.518 1.271 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710264 814832267 /nfs/dbraw/zinc/83/22/67/814832267.db2.gz SXEBCKJDVRVFDP-QRVBRYPASA-N 2 2 365.518 1.271 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(CC)c2)[C@@H]1CC ZINC001087607116 821713639 /nfs/dbraw/zinc/71/36/39/821713639.db2.gz MHWBLUMBAMAVFA-ZCNNSNEGSA-N 2 2 371.529 1.512 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cnn(CC)c2)[C@@H]1CC ZINC001087607116 821713650 /nfs/dbraw/zinc/71/36/50/821713650.db2.gz MHWBLUMBAMAVFA-ZCNNSNEGSA-N 2 2 371.529 1.512 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(CC)c2)[C@@H]1CC ZINC001087607116 821713660 /nfs/dbraw/zinc/71/36/60/821713660.db2.gz MHWBLUMBAMAVFA-ZCNNSNEGSA-N 2 2 371.529 1.512 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(CC)c2)[C@@H]1CC ZINC001087607116 821713669 /nfs/dbraw/zinc/71/36/69/821713669.db2.gz MHWBLUMBAMAVFA-ZCNNSNEGSA-N 2 2 371.529 1.512 20 30 FDEDLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000329133675 824617428 /nfs/dbraw/zinc/61/74/28/824617428.db2.gz BHRQDHMMTGOBBN-KRWDZBQOSA-N 2 2 360.506 1.345 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053495 825644180 /nfs/dbraw/zinc/64/41/80/825644180.db2.gz KTHATAUEXPKFDF-HSALFYBXSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053495 825644186 /nfs/dbraw/zinc/64/41/86/825644186.db2.gz KTHATAUEXPKFDF-HSALFYBXSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053495 825644195 /nfs/dbraw/zinc/64/41/95/825644195.db2.gz KTHATAUEXPKFDF-HSALFYBXSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053495 825644199 /nfs/dbraw/zinc/64/41/99/825644199.db2.gz KTHATAUEXPKFDF-HSALFYBXSA-N 2 2 359.514 1.291 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000528493429 829432917 /nfs/dbraw/zinc/43/29/17/829432917.db2.gz VFTLMDDNSZBPMG-OALUTQOASA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000528493429 829432921 /nfs/dbraw/zinc/43/29/21/829432921.db2.gz VFTLMDDNSZBPMG-OALUTQOASA-N 2 2 359.470 1.485 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105669638 844260048 /nfs/dbraw/zinc/26/00/48/844260048.db2.gz UCDMMNKTARQIDO-JYBIWHBTSA-N 2 2 358.486 1.250 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088659120 839464704 /nfs/dbraw/zinc/46/47/04/839464704.db2.gz JEEUYVKUQJLLKZ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088659120 839464709 /nfs/dbraw/zinc/46/47/09/839464709.db2.gz JEEUYVKUQJLLKZ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C#N)cc1F ZINC001088659120 839464715 /nfs/dbraw/zinc/46/47/15/839464715.db2.gz JEEUYVKUQJLLKZ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C#N)cc1F ZINC001088659120 839464720 /nfs/dbraw/zinc/46/47/20/839464720.db2.gz JEEUYVKUQJLLKZ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP N#Cc1cnc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000842040194 840821990 /nfs/dbraw/zinc/82/19/90/840821990.db2.gz WGBXTWHXSMNXFY-INIZCTEOSA-N 2 2 352.398 1.248 20 30 FDEDLP N#Cc1cnc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000842040194 840822001 /nfs/dbraw/zinc/82/20/01/840822001.db2.gz WGBXTWHXSMNXFY-INIZCTEOSA-N 2 2 352.398 1.248 20 30 FDEDLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076105740 847294308 /nfs/dbraw/zinc/29/43/08/847294308.db2.gz MQZQHARXJOIFPK-AZUAARDMSA-N 2 2 366.440 1.997 20 30 FDEDLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076105740 847294314 /nfs/dbraw/zinc/29/43/14/847294314.db2.gz MQZQHARXJOIFPK-AZUAARDMSA-N 2 2 366.440 1.997 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001076461025 848207229 /nfs/dbraw/zinc/20/72/29/848207229.db2.gz MUSSXKKYASLWOT-SUMWQHHRSA-N 2 2 355.467 1.629 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001076461025 848207237 /nfs/dbraw/zinc/20/72/37/848207237.db2.gz MUSSXKKYASLWOT-SUMWQHHRSA-N 2 2 355.467 1.629 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001076500648 848292630 /nfs/dbraw/zinc/29/26/30/848292630.db2.gz IXVNTAACMYAHEH-SUMWQHHRSA-N 2 2 355.467 1.927 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001076500648 848292635 /nfs/dbraw/zinc/29/26/35/848292635.db2.gz IXVNTAACMYAHEH-SUMWQHHRSA-N 2 2 355.467 1.927 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nccs4)C[C@H]32)CC1 ZINC001076604573 848553617 /nfs/dbraw/zinc/55/36/17/848553617.db2.gz MPNYQBBAFRCMKL-DLBZAZTESA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nccs4)C[C@H]32)CC1 ZINC001076604573 848553622 /nfs/dbraw/zinc/55/36/22/848553622.db2.gz MPNYQBBAFRCMKL-DLBZAZTESA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4ncc(C)o4)C[C@H]32)CC1 ZINC001076604871 848554393 /nfs/dbraw/zinc/55/43/93/848554393.db2.gz VLDYHCUFWNRNBQ-YTQUADARSA-N 2 2 370.497 1.922 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4ncc(C)o4)C[C@H]32)CC1 ZINC001076604871 848554395 /nfs/dbraw/zinc/55/43/95/848554395.db2.gz VLDYHCUFWNRNBQ-YTQUADARSA-N 2 2 370.497 1.922 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1O ZINC001077158509 849951991 /nfs/dbraw/zinc/95/19/91/849951991.db2.gz JFPZKRZRDYBVMQ-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@H]1O ZINC001077158509 849951994 /nfs/dbraw/zinc/95/19/94/849951994.db2.gz JFPZKRZRDYBVMQ-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)ccc2C)C[C@H]1O ZINC001077158509 849951999 /nfs/dbraw/zinc/95/19/99/849951999.db2.gz JFPZKRZRDYBVMQ-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)ccc2C)C[C@H]1O ZINC001077158509 849952005 /nfs/dbraw/zinc/95/20/05/849952005.db2.gz JFPZKRZRDYBVMQ-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)cc1 ZINC001083645333 858619402 /nfs/dbraw/zinc/61/94/02/858619402.db2.gz WFNUVNNCVSBECW-MOPGFXCFSA-N 2 2 361.405 1.181 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)cc1 ZINC001083645333 858619406 /nfs/dbraw/zinc/61/94/06/858619406.db2.gz WFNUVNNCVSBECW-MOPGFXCFSA-N 2 2 361.405 1.181 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)O1 ZINC001033186438 881697294 /nfs/dbraw/zinc/69/72/94/881697294.db2.gz WWVJMYIHHKOCQA-CKEIUWERSA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)O1 ZINC001033186438 881697297 /nfs/dbraw/zinc/69/72/97/881697297.db2.gz WWVJMYIHHKOCQA-CKEIUWERSA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001033186438 881697299 /nfs/dbraw/zinc/69/72/99/881697299.db2.gz WWVJMYIHHKOCQA-CKEIUWERSA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001033186438 881697302 /nfs/dbraw/zinc/69/73/02/881697302.db2.gz WWVJMYIHHKOCQA-CKEIUWERSA-N 2 2 362.499 1.372 20 30 FDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Br)ccc2OCC#N)CC1 ZINC001168736593 879682192 /nfs/dbraw/zinc/68/21/92/879682192.db2.gz OQGGLPRLZVAYEI-UHFFFAOYSA-N 2 2 352.236 1.946 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033875161 883309608 /nfs/dbraw/zinc/30/96/08/883309608.db2.gz PGIPVCPBAFXUIS-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033875161 883309619 /nfs/dbraw/zinc/30/96/19/883309619.db2.gz PGIPVCPBAFXUIS-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033875161 883309632 /nfs/dbraw/zinc/30/96/32/883309632.db2.gz PGIPVCPBAFXUIS-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033875161 883309650 /nfs/dbraw/zinc/30/96/50/883309650.db2.gz PGIPVCPBAFXUIS-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033874951 883311826 /nfs/dbraw/zinc/31/18/26/883311826.db2.gz MHCLDUFFHSDWOW-HMXCVIKNSA-N 2 2 369.509 1.680 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033874951 883311846 /nfs/dbraw/zinc/31/18/46/883311846.db2.gz MHCLDUFFHSDWOW-HMXCVIKNSA-N 2 2 369.509 1.680 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033874951 883311867 /nfs/dbraw/zinc/31/18/67/883311867.db2.gz MHCLDUFFHSDWOW-HMXCVIKNSA-N 2 2 369.509 1.680 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033874951 883311891 /nfs/dbraw/zinc/31/18/91/883311891.db2.gz MHCLDUFFHSDWOW-HMXCVIKNSA-N 2 2 369.509 1.680 20 30 FDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC2(CCOCC2)C1 ZINC001089942763 912737702 /nfs/dbraw/zinc/73/77/02/912737702.db2.gz BMFXMCMPNDIPHX-BRWVUGGUSA-N 2 2 356.470 1.524 20 30 FDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC2(CCOCC2)C1 ZINC001089942763 912737705 /nfs/dbraw/zinc/73/77/05/912737705.db2.gz BMFXMCMPNDIPHX-BRWVUGGUSA-N 2 2 356.470 1.524 20 30 FDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC2(CCOCC2)C1 ZINC001089942763 912737710 /nfs/dbraw/zinc/73/77/10/912737710.db2.gz BMFXMCMPNDIPHX-BRWVUGGUSA-N 2 2 356.470 1.524 20 30 FDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC2(CCOCC2)C1 ZINC001089942763 912737720 /nfs/dbraw/zinc/73/77/20/912737720.db2.gz BMFXMCMPNDIPHX-BRWVUGGUSA-N 2 2 356.470 1.524 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139598 885843355 /nfs/dbraw/zinc/84/33/55/885843355.db2.gz NSGGJXVFBYOVCZ-BBWFWOEESA-N 2 2 357.462 1.261 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139598 885843363 /nfs/dbraw/zinc/84/33/63/885843363.db2.gz NSGGJXVFBYOVCZ-BBWFWOEESA-N 2 2 357.462 1.261 20 30 FDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516891 886110159 /nfs/dbraw/zinc/11/01/59/886110159.db2.gz LTWUBEQMUIZECU-ZCNNSNEGSA-N 2 2 357.498 1.725 20 30 FDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516891 886110164 /nfs/dbraw/zinc/11/01/64/886110164.db2.gz LTWUBEQMUIZECU-ZCNNSNEGSA-N 2 2 357.498 1.725 20 30 FDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516891 886110173 /nfs/dbraw/zinc/11/01/73/886110173.db2.gz LTWUBEQMUIZECU-ZCNNSNEGSA-N 2 2 357.498 1.725 20 30 FDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516891 886110180 /nfs/dbraw/zinc/11/01/80/886110180.db2.gz LTWUBEQMUIZECU-ZCNNSNEGSA-N 2 2 357.498 1.725 20 30 FDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000245947612 889350935 /nfs/dbraw/zinc/35/09/35/889350935.db2.gz BQUASDJXLOBPEX-CEXWTWQISA-N 2 2 363.550 1.341 20 30 FDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000245947612 889350946 /nfs/dbraw/zinc/35/09/46/889350946.db2.gz BQUASDJXLOBPEX-CEXWTWQISA-N 2 2 363.550 1.341 20 30 FDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000245947612 889350956 /nfs/dbraw/zinc/35/09/56/889350956.db2.gz BQUASDJXLOBPEX-CEXWTWQISA-N 2 2 363.550 1.341 20 30 FDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000245947612 889350969 /nfs/dbraw/zinc/35/09/69/889350969.db2.gz BQUASDJXLOBPEX-CEXWTWQISA-N 2 2 363.550 1.341 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000923580117 889957835 /nfs/dbraw/zinc/95/78/35/889957835.db2.gz YKSOIJHZSIHPOJ-KRWDZBQOSA-N 2 2 360.527 1.877 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000923580117 889957841 /nfs/dbraw/zinc/95/78/41/889957841.db2.gz YKSOIJHZSIHPOJ-KRWDZBQOSA-N 2 2 360.527 1.877 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001212301049 889978472 /nfs/dbraw/zinc/97/84/72/889978472.db2.gz AAEXWQFFHBXUPM-CGTJXYLNSA-N 2 2 360.502 1.932 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001212301049 889978478 /nfs/dbraw/zinc/97/84/78/889978478.db2.gz AAEXWQFFHBXUPM-CGTJXYLNSA-N 2 2 360.502 1.932 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC)[NH+](C)C ZINC001212461134 893836185 /nfs/dbraw/zinc/83/61/85/893836185.db2.gz RHNCTYHKPRKHCA-KZNAEPCWSA-N 2 2 362.449 1.353 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959884 897327204 /nfs/dbraw/zinc/32/72/04/897327204.db2.gz TVCIKVKUMFLKLI-RCCFBDPRSA-N 2 2 370.497 1.534 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959884 897327219 /nfs/dbraw/zinc/32/72/19/897327219.db2.gz TVCIKVKUMFLKLI-RCCFBDPRSA-N 2 2 370.497 1.534 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cccc(F)c1 ZINC001079188980 902139791 /nfs/dbraw/zinc/13/97/91/902139791.db2.gz BIBCAYFOUPRIPV-LSTHTHJFSA-N 2 2 366.440 1.802 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1C#N ZINC001079494678 902712270 /nfs/dbraw/zinc/71/22/70/902712270.db2.gz LFLOYWQZMXUILL-ZTFGCOKTSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1C#N ZINC001079494678 902712276 /nfs/dbraw/zinc/71/22/76/902712276.db2.gz LFLOYWQZMXUILL-ZTFGCOKTSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C#N ZINC001079494678 902712284 /nfs/dbraw/zinc/71/22/84/902712284.db2.gz LFLOYWQZMXUILL-ZTFGCOKTSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1C#N ZINC001079494678 902712292 /nfs/dbraw/zinc/71/22/92/902712292.db2.gz LFLOYWQZMXUILL-ZTFGCOKTSA-N 2 2 356.470 1.598 20 30 FDEDLP C=CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC1 ZINC000996788929 905527961 /nfs/dbraw/zinc/52/79/61/905527961.db2.gz HZGSMSUYJWTJNA-CSODTCANSA-N 2 2 371.529 1.755 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC001081119985 907175323 /nfs/dbraw/zinc/17/53/23/907175323.db2.gz ZJHWNSYHKKBGEC-VQTJNVASSA-N 2 2 362.477 1.979 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001082646374 909312438 /nfs/dbraw/zinc/31/24/38/909312438.db2.gz PSPMBCTVUPTIFS-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001084830271 917507571 /nfs/dbraw/zinc/50/75/71/917507571.db2.gz QCRGKACHPHCLRJ-ZHALLVOQSA-N 2 2 356.445 1.682 20 30 FDEDLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001084830271 917507576 /nfs/dbraw/zinc/50/75/76/917507576.db2.gz QCRGKACHPHCLRJ-ZHALLVOQSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001084830271 917507585 /nfs/dbraw/zinc/50/75/85/917507585.db2.gz QCRGKACHPHCLRJ-ZHALLVOQSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001084830271 917507588 /nfs/dbraw/zinc/50/75/88/917507588.db2.gz QCRGKACHPHCLRJ-ZHALLVOQSA-N 2 2 356.445 1.682 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cccnc3C)[C@H]2C1 ZINC001084961246 918908664 /nfs/dbraw/zinc/90/86/64/918908664.db2.gz VBWOIYHKOLVWFJ-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccnc3C)[C@H]2C1 ZINC001084961246 918908665 /nfs/dbraw/zinc/90/86/65/918908665.db2.gz VBWOIYHKOLVWFJ-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cccnc3C)[C@H]2C1 ZINC001084961246 918908678 /nfs/dbraw/zinc/90/86/78/918908678.db2.gz VBWOIYHKOLVWFJ-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cccnc3C)[C@H]2C1 ZINC001084961246 918908680 /nfs/dbraw/zinc/90/86/80/918908680.db2.gz VBWOIYHKOLVWFJ-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(C)on4)[C@H]3C2)CC1 ZINC001085100515 920914648 /nfs/dbraw/zinc/91/46/48/920914648.db2.gz JJSCYEUZJXAUSX-XLIONFOSSA-N 2 2 370.497 1.751 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(C)on4)[C@H]3C2)CC1 ZINC001085100515 920914659 /nfs/dbraw/zinc/91/46/59/920914659.db2.gz JJSCYEUZJXAUSX-XLIONFOSSA-N 2 2 370.497 1.751 20 30 FDEDLP C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001065703256 922430669 /nfs/dbraw/zinc/43/06/69/922430669.db2.gz AUQHUIVZLZHGPJ-FGTMMUONSA-N 2 2 362.518 1.038 20 30 FDEDLP C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001065703256 922430678 /nfs/dbraw/zinc/43/06/78/922430678.db2.gz AUQHUIVZLZHGPJ-FGTMMUONSA-N 2 2 362.518 1.038 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccnc1C ZINC001085229840 922983044 /nfs/dbraw/zinc/98/30/44/922983044.db2.gz MWPVWJORGPEJGL-LMMKCTJWSA-N 2 2 355.486 1.400 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccnc1C ZINC001085229840 922983045 /nfs/dbraw/zinc/98/30/45/922983045.db2.gz MWPVWJORGPEJGL-LMMKCTJWSA-N 2 2 355.486 1.400 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635839 929986064 /nfs/dbraw/zinc/98/60/64/929986064.db2.gz VMGLFQNZEIZSGK-BDXSIMOUSA-N 2 2 362.518 1.132 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635839 929986066 /nfs/dbraw/zinc/98/60/66/929986066.db2.gz VMGLFQNZEIZSGK-BDXSIMOUSA-N 2 2 362.518 1.132 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635839 929986075 /nfs/dbraw/zinc/98/60/75/929986075.db2.gz VMGLFQNZEIZSGK-BDXSIMOUSA-N 2 2 362.518 1.132 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635839 929986076 /nfs/dbraw/zinc/98/60/76/929986076.db2.gz VMGLFQNZEIZSGK-BDXSIMOUSA-N 2 2 362.518 1.132 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841407 930574169 /nfs/dbraw/zinc/57/41/69/930574169.db2.gz QHYUTLIDACYDLP-QYZOEREBSA-N 2 2 370.497 1.386 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841407 930574170 /nfs/dbraw/zinc/57/41/70/930574170.db2.gz QHYUTLIDACYDLP-QYZOEREBSA-N 2 2 370.497 1.386 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001130034423 938634608 /nfs/dbraw/zinc/63/46/08/938634608.db2.gz OWENCQHXOHDWTI-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130034423 938634610 /nfs/dbraw/zinc/63/46/10/938634610.db2.gz OWENCQHXOHDWTI-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130084080 938665877 /nfs/dbraw/zinc/66/58/77/938665877.db2.gz YXITYNBCWNRESK-CABCVRRESA-N 2 2 357.462 1.287 20 30 FDEDLP Cc1nc(N2CC[NH+](CCO)CC2)cc(Nc2ccc(OCC#N)cc2)[nH+]1 ZINC001212605301 940920071 /nfs/dbraw/zinc/92/00/71/940920071.db2.gz VUYRWGCKOLYVAE-UHFFFAOYSA-N 2 2 368.441 1.545 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001087005666 953065441 /nfs/dbraw/zinc/06/54/41/953065441.db2.gz NQQGKXNGQCBAAE-JKSUJKDBSA-N 2 2 356.474 1.581 20 30 FDEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171879702 961357311 /nfs/dbraw/zinc/35/73/11/961357311.db2.gz TVFKAQVQNAMQSF-QRVBRYPASA-N 2 2 367.534 1.707 20 30 FDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179097950 964718254 /nfs/dbraw/zinc/71/82/54/964718254.db2.gz VQSWWFZGHJVVKX-MOPGFXCFSA-N 2 2 365.518 1.156 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852865594 967670698 /nfs/dbraw/zinc/67/06/98/967670698.db2.gz IWVMODRVSIJIAB-LJQANCHMSA-N 2 2 369.509 1.739 20 30 FDEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128087 973929577 /nfs/dbraw/zinc/92/95/77/973929577.db2.gz NNRZIOBWSWCZKR-AQNXPRMDSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128087 973929583 /nfs/dbraw/zinc/92/95/83/973929583.db2.gz NNRZIOBWSWCZKR-AQNXPRMDSA-N 2 2 370.497 1.340 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000868290887 977456341 /nfs/dbraw/zinc/45/63/41/977456341.db2.gz VIQSPFXXNATVDP-RTBURBONSA-N 2 2 367.497 1.493 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000868290887 977456345 /nfs/dbraw/zinc/45/63/45/977456345.db2.gz VIQSPFXXNATVDP-RTBURBONSA-N 2 2 367.497 1.493 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000884179271 982951548 /nfs/dbraw/zinc/95/15/48/982951548.db2.gz KDPRREDWFKKJID-OHTSDLOESA-N 2 2 354.454 1.597 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000884268804 983041594 /nfs/dbraw/zinc/04/15/94/983041594.db2.gz USSUXCCDIVNHRC-QYZOEREBSA-N 2 2 373.497 1.632 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC000871542108 987111997 /nfs/dbraw/zinc/11/19/97/987111997.db2.gz XTKRJWVJZCEBEU-UHFFFAOYSA-N 2 2 363.502 1.254 20 30 FDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCS(=O)(=O)C(C)(C)C)cc1 ZINC000871734226 987211514 /nfs/dbraw/zinc/21/15/14/987211514.db2.gz BSIYPGMXQSFXAD-UHFFFAOYSA-N 2 2 355.504 1.989 20 30 FDEDLP C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872359561 987618962 /nfs/dbraw/zinc/61/89/62/987618962.db2.gz IYLMFFBDDMEECQ-OALUTQOASA-N 2 2 371.485 1.592 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000362308612 988630542 /nfs/dbraw/zinc/63/05/42/988630542.db2.gz GDGDJPHVKMWSMM-ZRNYENFQSA-N 2 2 373.545 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000362308612 988630546 /nfs/dbraw/zinc/63/05/46/988630546.db2.gz GDGDJPHVKMWSMM-ZRNYENFQSA-N 2 2 373.545 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000362308612 988630549 /nfs/dbraw/zinc/63/05/49/988630549.db2.gz GDGDJPHVKMWSMM-ZRNYENFQSA-N 2 2 373.545 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000362308612 988630553 /nfs/dbraw/zinc/63/05/53/988630553.db2.gz GDGDJPHVKMWSMM-ZRNYENFQSA-N 2 2 373.545 1.095 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CN(C4CC4)CCO3)CC2)cc1 ZINC000373179031 991980660 /nfs/dbraw/zinc/98/06/60/991980660.db2.gz NQOQJPPEFNSNJX-NRFANRHFSA-N 2 2 354.498 1.975 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374535992 992882088 /nfs/dbraw/zinc/88/20/88/992882088.db2.gz IWABLOYYFRHRGC-QGZVFWFLSA-N 2 2 358.486 1.889 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374535992 992882094 /nfs/dbraw/zinc/88/20/94/992882094.db2.gz IWABLOYYFRHRGC-QGZVFWFLSA-N 2 2 358.486 1.889 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374753172 992936574 /nfs/dbraw/zinc/93/65/74/992936574.db2.gz UPWPOIDPNXCYFB-QGZVFWFLSA-N 2 2 357.502 1.781 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374753172 992936578 /nfs/dbraw/zinc/93/65/78/992936578.db2.gz UPWPOIDPNXCYFB-QGZVFWFLSA-N 2 2 357.502 1.781 20 30 FDEDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876889309 992950364 /nfs/dbraw/zinc/95/03/64/992950364.db2.gz JUSZTPXQAFCJHW-IBGZPJMESA-N 2 2 370.497 1.562 20 30 FDEDLP Cc1ccc([C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000264257721 997440428 /nfs/dbraw/zinc/44/04/28/997440428.db2.gz ILDLTDSNHGKEKC-QGZVFWFLSA-N 3 2 363.506 1.352 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000264372855 997485604 /nfs/dbraw/zinc/48/56/04/997485604.db2.gz GWZFHMNFHVXDPN-HXUWFJFHSA-N 2 2 372.513 1.837 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000264372855 997485614 /nfs/dbraw/zinc/48/56/14/997485614.db2.gz GWZFHMNFHVXDPN-HXUWFJFHSA-N 2 2 372.513 1.837 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000104170647 998313924 /nfs/dbraw/zinc/31/39/24/998313924.db2.gz KQFJZUDJTPJNIJ-QUCCMNQESA-N 3 2 372.561 1.586 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000104170647 998313943 /nfs/dbraw/zinc/31/39/43/998313943.db2.gz KQFJZUDJTPJNIJ-QUCCMNQESA-N 3 2 372.561 1.586 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000530232373 539916436 /nfs/dbraw/zinc/91/64/36/539916436.db2.gz ZDHXTPJATMGAAP-FQEVSTJZSA-N 2 2 366.465 1.947 20 30 FDEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000533411899 540243722 /nfs/dbraw/zinc/24/37/22/540243722.db2.gz CQAICVXZAJUIPC-FXAWDEMLSA-N 2 2 362.514 1.932 20 30 FDEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000533411899 540243723 /nfs/dbraw/zinc/24/37/23/540243723.db2.gz CQAICVXZAJUIPC-FXAWDEMLSA-N 2 2 362.514 1.932 20 30 FDEDLP CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372596 260351857 /nfs/dbraw/zinc/35/18/57/260351857.db2.gz KEUWRISUPKVWFV-SFHVURJKSA-N 2 2 355.486 1.868 20 30 FDEDLP CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372596 260351858 /nfs/dbraw/zinc/35/18/58/260351858.db2.gz KEUWRISUPKVWFV-SFHVURJKSA-N 2 2 355.486 1.868 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC000057170964 522022858 /nfs/dbraw/zinc/02/28/58/522022858.db2.gz IDWIBDNLDCXQTP-OAQYLSRUSA-N 2 2 369.509 1.830 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000074132526 522687872 /nfs/dbraw/zinc/68/78/72/522687872.db2.gz SZSZINBMFSPFBT-GOSISDBHSA-N 2 2 350.507 1.533 20 30 FDEDLP CC(C)c1nc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)no1 ZINC000068776695 523855765 /nfs/dbraw/zinc/85/57/65/523855765.db2.gz DPFDYGRFZQUIKX-UHFFFAOYSA-N 2 2 373.457 1.987 20 30 FDEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968929 523924104 /nfs/dbraw/zinc/92/41/04/523924104.db2.gz RNRCMZZCLPCXAM-OAQYLSRUSA-N 2 2 369.513 1.829 20 30 FDEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968929 523924108 /nfs/dbraw/zinc/92/41/08/523924108.db2.gz RNRCMZZCLPCXAM-OAQYLSRUSA-N 2 2 369.513 1.829 20 30 FDEDLP CCC[NH+]1CCC(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)CC1 ZINC000112358373 524468698 /nfs/dbraw/zinc/46/86/98/524468698.db2.gz DDJJEIGROPBJDS-FQEVSTJZSA-N 2 2 363.550 1.533 20 30 FDEDLP C#CCSCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000126130086 525275867 /nfs/dbraw/zinc/27/58/67/525275867.db2.gz KNUAVGGFMAJIIJ-SJPCQFCGSA-N 2 2 350.532 1.305 20 30 FDEDLP C#CCSCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000126130086 525275876 /nfs/dbraw/zinc/27/58/76/525275876.db2.gz KNUAVGGFMAJIIJ-SJPCQFCGSA-N 2 2 350.532 1.305 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328630137 526242252 /nfs/dbraw/zinc/24/22/52/526242252.db2.gz JBGWFRVMNDEFFJ-XYJFISCASA-N 2 2 360.506 1.495 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328630137 526242254 /nfs/dbraw/zinc/24/22/54/526242254.db2.gz JBGWFRVMNDEFFJ-XYJFISCASA-N 2 2 360.506 1.495 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328630137 526242256 /nfs/dbraw/zinc/24/22/56/526242256.db2.gz JBGWFRVMNDEFFJ-XYJFISCASA-N 2 2 360.506 1.495 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328630137 526242260 /nfs/dbraw/zinc/24/22/60/526242260.db2.gz JBGWFRVMNDEFFJ-XYJFISCASA-N 2 2 360.506 1.495 20 30 FDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000248928183 537221783 /nfs/dbraw/zinc/22/17/83/537221783.db2.gz XLTBGMWGNLPOEW-SQNIBIBYSA-N 2 2 370.501 1.954 20 30 FDEDLP NC(=[NH+]OCC[NH+]1CCCCC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000194391072 537275725 /nfs/dbraw/zinc/27/57/25/537275725.db2.gz WTPCBLAXWWETKT-UHFFFAOYSA-N 3 2 360.502 1.766 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000299356168 537556809 /nfs/dbraw/zinc/55/68/09/537556809.db2.gz PZCXTVKYQBEUPO-UHFFFAOYSA-N 2 2 354.498 1.718 20 30 FDEDLP COc1nn(C)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000330026061 537650002 /nfs/dbraw/zinc/65/00/02/537650002.db2.gz LDACTZXKJBANDL-UHFFFAOYSA-N 2 2 350.467 1.313 20 30 FDEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000290118968 537674427 /nfs/dbraw/zinc/67/44/27/537674427.db2.gz YLGBOTOBPFTQCS-IBGZPJMESA-N 2 2 363.465 1.970 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000376092529 537834159 /nfs/dbraw/zinc/83/41/59/537834159.db2.gz FSQHKFCPNNJSQJ-RBUKOAKNSA-N 2 2 365.481 1.525 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000376092529 537834170 /nfs/dbraw/zinc/83/41/70/537834170.db2.gz FSQHKFCPNNJSQJ-RBUKOAKNSA-N 2 2 365.481 1.525 20 30 FDEDLP C[C@H](C#N)S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000416446632 537842439 /nfs/dbraw/zinc/84/24/39/537842439.db2.gz QCCLSNHDSOUMSI-HYVNUMGLSA-N 2 2 356.536 1.497 20 30 FDEDLP C[C@H](C#N)S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000416446632 537842451 /nfs/dbraw/zinc/84/24/51/537842451.db2.gz QCCLSNHDSOUMSI-HYVNUMGLSA-N 2 2 356.536 1.497 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000376595418 537856538 /nfs/dbraw/zinc/85/65/38/537856538.db2.gz NHPPZINBUXMACL-KRWDZBQOSA-N 2 2 355.486 1.491 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000572224146 549868090 /nfs/dbraw/zinc/86/80/90/549868090.db2.gz YAYSAWPCQNIRJL-ZDUSSCGKSA-N 2 2 371.363 1.606 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000572224146 549868091 /nfs/dbraw/zinc/86/80/91/549868091.db2.gz YAYSAWPCQNIRJL-ZDUSSCGKSA-N 2 2 371.363 1.606 20 30 FDEDLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000577277741 550639789 /nfs/dbraw/zinc/63/97/89/550639789.db2.gz XXEFQKATJFOURA-IBGZPJMESA-N 2 2 357.502 1.461 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CC3(C#N)CC3)CC2)CC1 ZINC000578763838 550799087 /nfs/dbraw/zinc/79/90/87/550799087.db2.gz NUHPWFKMAPRWQT-UHFFFAOYSA-N 2 2 354.520 1.112 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CC3(C#N)CC3)CC2)CC1 ZINC000578763838 550799089 /nfs/dbraw/zinc/79/90/89/550799089.db2.gz NUHPWFKMAPRWQT-UHFFFAOYSA-N 2 2 354.520 1.112 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](C[NH3+])C1 ZINC000591277622 551855701 /nfs/dbraw/zinc/85/57/01/551855701.db2.gz SDCXFWUSCBIJOY-MRXNPFEDSA-N 2 2 366.425 1.852 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](C[NH3+])C1 ZINC000591277622 551855702 /nfs/dbraw/zinc/85/57/02/551855702.db2.gz SDCXFWUSCBIJOY-MRXNPFEDSA-N 2 2 366.425 1.852 20 30 FDEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592146368 551949295 /nfs/dbraw/zinc/94/92/95/551949295.db2.gz CHRSQDMRFUOGBE-YLJYHZDGSA-N 2 2 356.470 1.242 20 30 FDEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592146368 551949296 /nfs/dbraw/zinc/94/92/96/551949296.db2.gz CHRSQDMRFUOGBE-YLJYHZDGSA-N 2 2 356.470 1.242 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000593033645 552054583 /nfs/dbraw/zinc/05/45/83/552054583.db2.gz ZBNXUIASQKPSGC-IBGZPJMESA-N 2 2 373.497 1.319 20 30 FDEDLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594441254 552311321 /nfs/dbraw/zinc/31/13/21/552311321.db2.gz PWDNHKHUNIIZDN-KRWDZBQOSA-N 2 2 357.458 1.424 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000594820327 552398010 /nfs/dbraw/zinc/39/80/10/552398010.db2.gz BMAFHWZDGSCXAV-UHFFFAOYSA-N 2 2 356.467 1.000 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000594820327 552398011 /nfs/dbraw/zinc/39/80/11/552398011.db2.gz BMAFHWZDGSCXAV-UHFFFAOYSA-N 2 2 356.467 1.000 20 30 FDEDLP N#Cc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2=O)cc1 ZINC000596047321 552649488 /nfs/dbraw/zinc/64/94/88/552649488.db2.gz PKFJHPIFNPCCNN-RBUKOAKNSA-N 2 2 354.454 1.506 20 30 FDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3Cc4c[nH+]cn4C3)CC2)c1 ZINC000602331795 553564797 /nfs/dbraw/zinc/56/47/97/553564797.db2.gz JCIMSFBFUAHPFW-SFHVURJKSA-N 2 2 364.453 1.643 20 30 FDEDLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000602595492 553609428 /nfs/dbraw/zinc/60/94/28/553609428.db2.gz BFJYATAZDPMBKQ-LJQANCHMSA-N 2 2 370.497 1.879 20 30 FDEDLP N#CC[C@]1(O)CC[N@H+](C[C@@H](C[NH+]2CC[C@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850935 553650790 /nfs/dbraw/zinc/65/07/90/553650790.db2.gz INEGGMPKCVHTHI-MZADTFQBSA-N 2 2 368.481 1.471 20 30 FDEDLP N#CC[C@]1(O)CC[N@@H+](C[C@@H](C[NH+]2CC[C@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850935 553650792 /nfs/dbraw/zinc/65/07/92/553650792.db2.gz INEGGMPKCVHTHI-MZADTFQBSA-N 2 2 368.481 1.471 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](C[C@@H](C[N@@H+]2CC[C@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850935 553650794 /nfs/dbraw/zinc/65/07/94/553650794.db2.gz INEGGMPKCVHTHI-MZADTFQBSA-N 2 2 368.481 1.471 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](C[C@@H](C[N@H+]2CC[C@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850935 553650795 /nfs/dbraw/zinc/65/07/95/553650795.db2.gz INEGGMPKCVHTHI-MZADTFQBSA-N 2 2 368.481 1.471 20 30 FDEDLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN(CCC#N)CC1 ZINC000611175600 554612612 /nfs/dbraw/zinc/61/26/12/554612612.db2.gz JCLQJDXVJAVYLX-AZUAARDMSA-N 2 2 369.513 1.297 20 30 FDEDLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN(CCC#N)CC1 ZINC000611175600 554612614 /nfs/dbraw/zinc/61/26/14/554612614.db2.gz JCLQJDXVJAVYLX-AZUAARDMSA-N 2 2 369.513 1.297 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000611371596 554629151 /nfs/dbraw/zinc/62/91/51/554629151.db2.gz CMOUKDZTDABCCS-MSOLQXFVSA-N 2 2 358.490 1.212 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000611371596 554629153 /nfs/dbraw/zinc/62/91/53/554629153.db2.gz CMOUKDZTDABCCS-MSOLQXFVSA-N 2 2 358.490 1.212 20 30 FDEDLP C=CCn1nnn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1=S ZINC000124674613 671740251 /nfs/dbraw/zinc/74/02/51/671740251.db2.gz GHTGVNMWELPYQY-XYPWUTKMSA-N 2 2 363.535 1.195 20 30 FDEDLP C=CCn1nnn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1=S ZINC000124674613 671740254 /nfs/dbraw/zinc/74/02/54/671740254.db2.gz GHTGVNMWELPYQY-XYPWUTKMSA-N 2 2 363.535 1.195 20 30 FDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262784781 672849467 /nfs/dbraw/zinc/84/94/67/672849467.db2.gz MBJWSRYKJPWDPJ-QGZVFWFLSA-N 3 2 353.580 1.561 20 30 FDEDLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCOC1 ZINC000329389602 676636705 /nfs/dbraw/zinc/63/67/05/676636705.db2.gz RYBPXKGDSGOJCA-HOTGVXAUSA-N 2 2 352.523 1.864 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@](C)(C(N)=O)C3)CC2)CC1 ZINC000329975521 676666615 /nfs/dbraw/zinc/66/66/15/676666615.db2.gz YEGWHPZKKFARQI-GOSISDBHSA-N 2 2 351.495 1.706 20 30 FDEDLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@H]2C1 ZINC001164852112 720869940 /nfs/dbraw/zinc/86/99/40/720869940.db2.gz CBQHXMHWSMBLAX-YOEHRIQHSA-N 2 2 355.442 1.608 20 30 FDEDLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@H]2C1 ZINC001164852112 720869941 /nfs/dbraw/zinc/86/99/41/720869941.db2.gz CBQHXMHWSMBLAX-YOEHRIQHSA-N 2 2 355.442 1.608 20 30 FDEDLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969958132 771118507 /nfs/dbraw/zinc/11/85/07/771118507.db2.gz ISRUTKOKIFBOKB-PBFPGSCMSA-N 2 2 362.499 1.275 20 30 FDEDLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969958132 771118511 /nfs/dbraw/zinc/11/85/11/771118511.db2.gz ISRUTKOKIFBOKB-PBFPGSCMSA-N 2 2 362.499 1.275 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncc(C)cn2)C1 ZINC001104306142 774440169 /nfs/dbraw/zinc/44/01/69/774440169.db2.gz MZHLWCMJJJMSMP-QRVBRYPASA-N 2 2 369.513 1.457 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncc(C)cn2)C1 ZINC001104306142 774440172 /nfs/dbraw/zinc/44/01/72/774440172.db2.gz MZHLWCMJJJMSMP-QRVBRYPASA-N 2 2 369.513 1.457 20 30 FDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104367511 777950814 /nfs/dbraw/zinc/95/08/14/777950814.db2.gz WOXDAKSYAUNSKQ-KZNAEPCWSA-N 2 2 360.502 1.722 20 30 FDEDLP CC[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261970668 779758304 /nfs/dbraw/zinc/75/83/04/779758304.db2.gz MRSNZTXFOQXTJK-OKZBNKHCSA-N 2 2 362.522 1.452 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000892605785 787628326 /nfs/dbraw/zinc/62/83/26/787628326.db2.gz UPNDCUJXIXGWAK-ACDBMABISA-N 2 2 367.497 1.916 20 30 FDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104577547 788350464 /nfs/dbraw/zinc/35/04/64/788350464.db2.gz SXELJDMCXLLMLB-GGPKGHCWSA-N 2 2 361.530 1.727 20 30 FDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104577547 788350469 /nfs/dbraw/zinc/35/04/69/788350469.db2.gz SXELJDMCXLLMLB-GGPKGHCWSA-N 2 2 361.530 1.727 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000418765956 809190378 /nfs/dbraw/zinc/19/03/78/809190378.db2.gz KFEYSSSFMOMMLC-IBGZPJMESA-N 2 2 355.486 1.918 20 30 FDEDLP C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261959675 811353836 /nfs/dbraw/zinc/35/38/36/811353836.db2.gz JTDUNXHQHJCGCF-XIRDDKMYSA-N 2 2 370.505 1.504 20 30 FDEDLP C[C@@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000262254692 811424277 /nfs/dbraw/zinc/42/42/77/811424277.db2.gz CKZDLFYQYCMPAT-NVXWUHKLSA-N 2 2 360.506 1.742 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000366650284 813769548 /nfs/dbraw/zinc/76/95/48/813769548.db2.gz FHOIBFXGGFFUJJ-SFHVURJKSA-N 2 2 351.454 1.908 20 30 FDEDLP N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000895686617 822698728 /nfs/dbraw/zinc/69/87/28/822698728.db2.gz TWIXBWRTYYZNMA-KRWDZBQOSA-N 2 2 363.893 1.493 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)cn3)CC[C@@H]2C1 ZINC001087997924 825073531 /nfs/dbraw/zinc/07/35/31/825073531.db2.gz HTKAXDDEPOELLK-HBFSDRIKSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnc(C)cn3)CC[C@@H]2C1 ZINC001087997924 825073534 /nfs/dbraw/zinc/07/35/34/825073534.db2.gz HTKAXDDEPOELLK-HBFSDRIKSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnc(C)cn3)CC[C@@H]2C1 ZINC001087997924 825073536 /nfs/dbraw/zinc/07/35/36/825073536.db2.gz HTKAXDDEPOELLK-HBFSDRIKSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnc(C)cn3)CC[C@@H]2C1 ZINC001087997924 825073542 /nfs/dbraw/zinc/07/35/42/825073542.db2.gz HTKAXDDEPOELLK-HBFSDRIKSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)CC[C@@H]2C1 ZINC001087998179 825076662 /nfs/dbraw/zinc/07/66/62/825076662.db2.gz VFINCNXDJXJPGH-HBFSDRIKSA-N 2 2 369.513 1.106 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)CC[C@@H]2C1 ZINC001087998179 825076670 /nfs/dbraw/zinc/07/66/70/825076670.db2.gz VFINCNXDJXJPGH-HBFSDRIKSA-N 2 2 369.513 1.106 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)n(C)n3)CC[C@@H]2C1 ZINC001087998179 825076677 /nfs/dbraw/zinc/07/66/77/825076677.db2.gz VFINCNXDJXJPGH-HBFSDRIKSA-N 2 2 369.513 1.106 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)n(C)n3)CC[C@@H]2C1 ZINC001087998179 825076688 /nfs/dbraw/zinc/07/66/88/825076688.db2.gz VFINCNXDJXJPGH-HBFSDRIKSA-N 2 2 369.513 1.106 20 30 FDEDLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000329783916 825451650 /nfs/dbraw/zinc/45/16/50/825451650.db2.gz VOHJUXHOOIHGJJ-IFXJQAMLSA-N 2 2 374.533 1.551 20 30 FDEDLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000329783916 825451652 /nfs/dbraw/zinc/45/16/52/825451652.db2.gz VOHJUXHOOIHGJJ-IFXJQAMLSA-N 2 2 374.533 1.551 20 30 FDEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)ccc1F ZINC001088219449 827538926 /nfs/dbraw/zinc/53/89/26/827538926.db2.gz DASJUTIZHYEIPB-AEFFLSMTSA-N 2 2 367.428 1.874 20 30 FDEDLP N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)ccc1F ZINC001088219449 827538929 /nfs/dbraw/zinc/53/89/29/827538929.db2.gz DASJUTIZHYEIPB-AEFFLSMTSA-N 2 2 367.428 1.874 20 30 FDEDLP C=CCCn1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)nn1 ZINC000653554545 832649641 /nfs/dbraw/zinc/64/96/41/832649641.db2.gz JHWWTUQBOBXGDV-UHFFFAOYSA-N 2 2 374.533 1.620 20 30 FDEDLP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000897473829 834958336 /nfs/dbraw/zinc/95/83/36/834958336.db2.gz GHEDVFCUTCXIMZ-QGZVFWFLSA-N 2 2 355.486 1.870 20 30 FDEDLP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000897473829 834958342 /nfs/dbraw/zinc/95/83/42/834958342.db2.gz GHEDVFCUTCXIMZ-QGZVFWFLSA-N 2 2 355.486 1.870 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088658633 839461857 /nfs/dbraw/zinc/46/18/57/839461857.db2.gz MOWFREHRLZAXNC-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088658633 839461882 /nfs/dbraw/zinc/46/18/82/839461882.db2.gz MOWFREHRLZAXNC-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001088658633 839461891 /nfs/dbraw/zinc/46/18/91/839461891.db2.gz MOWFREHRLZAXNC-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001088658633 839461903 /nfs/dbraw/zinc/46/19/03/839461903.db2.gz MOWFREHRLZAXNC-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105647521 842413397 /nfs/dbraw/zinc/41/33/97/842413397.db2.gz RQPOZCJCGNKWMM-JYBIWHBTSA-N 2 2 358.486 1.263 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105657375 842493987 /nfs/dbraw/zinc/49/39/87/842493987.db2.gz YNPMQTNDMUMVRI-JYBIWHBTSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105661054 842652031 /nfs/dbraw/zinc/65/20/31/842652031.db2.gz DABGTFMZQUGPLL-XNFNUYLZSA-N 2 2 360.502 1.885 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076046931 847151927 /nfs/dbraw/zinc/15/19/27/847151927.db2.gz SYTQMFZITGKOBB-PKOBYXMFSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076046931 847151932 /nfs/dbraw/zinc/15/19/32/847151932.db2.gz SYTQMFZITGKOBB-PKOBYXMFSA-N 2 2 367.428 1.935 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076990595 849488325 /nfs/dbraw/zinc/48/83/25/849488325.db2.gz GJEQJKNLRYVEID-RTBURBONSA-N 2 2 370.497 1.484 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076990595 849488327 /nfs/dbraw/zinc/48/83/27/849488327.db2.gz GJEQJKNLRYVEID-RTBURBONSA-N 2 2 370.497 1.484 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000158119420 864069182 /nfs/dbraw/zinc/06/91/82/864069182.db2.gz HEEFXCLAMGCUGT-IBGZPJMESA-N 2 2 364.534 1.709 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001089041376 866244083 /nfs/dbraw/zinc/24/40/83/866244083.db2.gz SKUQIYIEFWOWSV-ACJLOTCBSA-N 2 2 355.417 1.982 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001089041376 866244102 /nfs/dbraw/zinc/24/41/02/866244102.db2.gz SKUQIYIEFWOWSV-ACJLOTCBSA-N 2 2 355.417 1.982 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001106479559 875604092 /nfs/dbraw/zinc/60/40/92/875604092.db2.gz HHGLWOGOMNDMNI-DJIMGWMZSA-N 2 2 357.926 1.924 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001106479559 875604099 /nfs/dbraw/zinc/60/40/99/875604099.db2.gz HHGLWOGOMNDMNI-DJIMGWMZSA-N 2 2 357.926 1.924 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033874958 883313044 /nfs/dbraw/zinc/31/30/44/883313044.db2.gz MNTGUJLLTVCDTQ-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033874958 883313062 /nfs/dbraw/zinc/31/30/62/883313062.db2.gz MNTGUJLLTVCDTQ-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033874958 883313081 /nfs/dbraw/zinc/31/30/81/883313081.db2.gz MNTGUJLLTVCDTQ-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033874958 883313097 /nfs/dbraw/zinc/31/30/97/883313097.db2.gz MNTGUJLLTVCDTQ-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054517 885586276 /nfs/dbraw/zinc/58/62/76/885586276.db2.gz GDQYUUDIBFBWEG-SQNIBIBYSA-N 2 2 371.489 1.680 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054517 885586287 /nfs/dbraw/zinc/58/62/87/885586287.db2.gz GDQYUUDIBFBWEG-SQNIBIBYSA-N 2 2 371.489 1.680 20 30 FDEDLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001127547671 887258759 /nfs/dbraw/zinc/25/87/59/887258759.db2.gz QSWVXJONXDBUDL-VQIMIIECSA-N 2 2 363.465 1.932 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129288628 890074461 /nfs/dbraw/zinc/07/44/61/890074461.db2.gz GKDIJLIEJLYNKC-BBWFWOEESA-N 2 2 357.462 1.434 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129288628 890074481 /nfs/dbraw/zinc/07/44/81/890074481.db2.gz GKDIJLIEJLYNKC-BBWFWOEESA-N 2 2 357.462 1.434 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637345 894346150 /nfs/dbraw/zinc/34/61/50/894346150.db2.gz FGRQGNCNYNXGNJ-CVEARBPZSA-N 2 2 350.507 1.132 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637345 894346176 /nfs/dbraw/zinc/34/61/76/894346176.db2.gz FGRQGNCNYNXGNJ-CVEARBPZSA-N 2 2 350.507 1.132 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999995816 896541596 /nfs/dbraw/zinc/54/15/96/896541596.db2.gz HYTPXWFUDFTVRC-BRWVUGGUSA-N 2 2 369.473 1.634 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999995816 896541604 /nfs/dbraw/zinc/54/16/04/896541604.db2.gz HYTPXWFUDFTVRC-BRWVUGGUSA-N 2 2 369.473 1.634 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999995816 896541617 /nfs/dbraw/zinc/54/16/17/896541617.db2.gz HYTPXWFUDFTVRC-BRWVUGGUSA-N 2 2 369.473 1.634 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999995816 896541629 /nfs/dbraw/zinc/54/16/29/896541629.db2.gz HYTPXWFUDFTVRC-BRWVUGGUSA-N 2 2 369.473 1.634 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430292 897000061 /nfs/dbraw/zinc/00/00/61/897000061.db2.gz IBIUVTPEWGEVGV-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430292 897000073 /nfs/dbraw/zinc/00/00/73/897000073.db2.gz IBIUVTPEWGEVGV-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430292 897000080 /nfs/dbraw/zinc/00/00/80/897000080.db2.gz IBIUVTPEWGEVGV-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430292 897000086 /nfs/dbraw/zinc/00/00/86/897000086.db2.gz IBIUVTPEWGEVGV-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000921759188 897723839 /nfs/dbraw/zinc/72/38/39/897723839.db2.gz QPIKVLKPQAGZMG-GOSISDBHSA-N 2 2 356.470 1.198 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001107044455 900083070 /nfs/dbraw/zinc/08/30/70/900083070.db2.gz BQLORINPQHUXKH-QRQLOZEOSA-N 2 2 358.486 1.018 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244725 902249370 /nfs/dbraw/zinc/24/93/70/902249370.db2.gz BNLNKHXLNFAHKQ-ZWKOTPCHSA-N 2 2 356.470 1.305 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244725 902249383 /nfs/dbraw/zinc/24/93/83/902249383.db2.gz BNLNKHXLNFAHKQ-ZWKOTPCHSA-N 2 2 356.470 1.305 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001080138065 904777460 /nfs/dbraw/zinc/77/74/60/904777460.db2.gz AQYZTZKHLSEMRU-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001080138065 904777470 /nfs/dbraw/zinc/77/74/70/904777470.db2.gz AQYZTZKHLSEMRU-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001080138107 904778040 /nfs/dbraw/zinc/77/80/40/904778040.db2.gz DAUHHEFZFZBEAR-DNVCBOLYSA-N 2 2 354.429 1.819 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001080138107 904778055 /nfs/dbraw/zinc/77/80/55/904778055.db2.gz DAUHHEFZFZBEAR-DNVCBOLYSA-N 2 2 354.429 1.819 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081675914 904923784 /nfs/dbraw/zinc/92/37/84/904923784.db2.gz LWQYRFSEZNPHGF-XUVXKRRUSA-N 2 2 368.481 1.215 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081675914 904923792 /nfs/dbraw/zinc/92/37/92/904923792.db2.gz LWQYRFSEZNPHGF-XUVXKRRUSA-N 2 2 368.481 1.215 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202189 906241563 /nfs/dbraw/zinc/24/15/63/906241563.db2.gz KUUFVRYUWVEPOW-NHCUHLMSSA-N 2 2 369.509 1.585 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202189 906241579 /nfs/dbraw/zinc/24/15/79/906241579.db2.gz KUUFVRYUWVEPOW-NHCUHLMSSA-N 2 2 369.509 1.585 20 30 FDEDLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082673342 909511363 /nfs/dbraw/zinc/51/13/63/909511363.db2.gz HKQSCPIETMHTAH-RDTXWAMCSA-N 2 2 355.417 1.921 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3csnn3)C2)CC1 ZINC001082941515 911017644 /nfs/dbraw/zinc/01/76/44/911017644.db2.gz VGAVICNHJJYHLD-IIAWOOMASA-N 2 2 361.515 1.381 20 30 FDEDLP CCN(CC)c1ccc(C=[NH+]NC(=S)NCCC[NH+](C)C)c(O)c1 ZINC000731930672 918851610 /nfs/dbraw/zinc/85/16/10/918851610.db2.gz HFEAWBIGQZEWDZ-UHFFFAOYSA-N 2 2 351.520 1.988 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998496 919386809 /nfs/dbraw/zinc/38/68/09/919386809.db2.gz QAAFAWFNJPTHKU-HSALFYBXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998496 919386827 /nfs/dbraw/zinc/38/68/27/919386827.db2.gz QAAFAWFNJPTHKU-HSALFYBXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]21 ZINC001084998496 919386843 /nfs/dbraw/zinc/38/68/43/919386843.db2.gz QAAFAWFNJPTHKU-HSALFYBXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]21 ZINC001084998496 919386857 /nfs/dbraw/zinc/38/68/57/919386857.db2.gz QAAFAWFNJPTHKU-HSALFYBXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001085094276 920853922 /nfs/dbraw/zinc/85/39/22/920853922.db2.gz NAPHFPHOUPLEKD-OIISXLGYSA-N 2 2 355.910 1.630 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001085094276 920853924 /nfs/dbraw/zinc/85/39/24/920853924.db2.gz NAPHFPHOUPLEKD-OIISXLGYSA-N 2 2 355.910 1.630 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001085094277 920854859 /nfs/dbraw/zinc/85/48/59/920854859.db2.gz NAPHFPHOUPLEKD-UAGQMJEPSA-N 2 2 355.910 1.630 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001085094277 920854880 /nfs/dbraw/zinc/85/48/80/920854880.db2.gz NAPHFPHOUPLEKD-UAGQMJEPSA-N 2 2 355.910 1.630 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncc(C)o4)[C@H]3C2)CC1 ZINC001085100675 920915436 /nfs/dbraw/zinc/91/54/36/920915436.db2.gz WHNXOLAEWUJJSB-MJGOQNOKSA-N 2 2 370.497 1.751 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncc(C)o4)[C@H]3C2)CC1 ZINC001085100675 920915442 /nfs/dbraw/zinc/91/54/42/920915442.db2.gz WHNXOLAEWUJJSB-MJGOQNOKSA-N 2 2 370.497 1.751 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)no1 ZINC001085229813 922983689 /nfs/dbraw/zinc/98/36/89/922983689.db2.gz LREABNXDVUZSKZ-ZACQAIPSSA-N 2 2 360.458 1.298 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)no1 ZINC001085229813 922983691 /nfs/dbraw/zinc/98/36/91/922983691.db2.gz LREABNXDVUZSKZ-ZACQAIPSSA-N 2 2 360.458 1.298 20 30 FDEDLP C#CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734277945 923157317 /nfs/dbraw/zinc/15/73/17/923157317.db2.gz NHFXPDCUODRECO-GOSISDBHSA-N 2 2 370.497 1.666 20 30 FDEDLP C#CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734277945 923157326 /nfs/dbraw/zinc/15/73/26/923157326.db2.gz NHFXPDCUODRECO-GOSISDBHSA-N 2 2 370.497 1.666 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000743783784 926461545 /nfs/dbraw/zinc/46/15/45/926461545.db2.gz GNNBTSPLUWISIW-IBGZPJMESA-N 2 2 370.497 1.873 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000743783784 926461552 /nfs/dbraw/zinc/46/15/52/926461552.db2.gz GNNBTSPLUWISIW-IBGZPJMESA-N 2 2 370.497 1.873 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001109717286 930198377 /nfs/dbraw/zinc/19/83/77/930198377.db2.gz JNESXAVGGFZCCG-YRXWBPOGSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001109717286 930198378 /nfs/dbraw/zinc/19/83/78/930198378.db2.gz JNESXAVGGFZCCG-YRXWBPOGSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717286 930198383 /nfs/dbraw/zinc/19/83/83/930198383.db2.gz JNESXAVGGFZCCG-YRXWBPOGSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717286 930198386 /nfs/dbraw/zinc/19/83/86/930198386.db2.gz JNESXAVGGFZCCG-YRXWBPOGSA-N 2 2 374.529 1.393 20 30 FDEDLP N#CCCn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccncc2)n1 ZINC000788512709 932720071 /nfs/dbraw/zinc/72/00/71/932720071.db2.gz MZCASFGCPWWXKF-RBUKOAKNSA-N 2 2 366.469 1.812 20 30 FDEDLP N#CCCn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccncc2)n1 ZINC000788512709 932720073 /nfs/dbraw/zinc/72/00/73/932720073.db2.gz MZCASFGCPWWXKF-RBUKOAKNSA-N 2 2 366.469 1.812 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490926 938442842 /nfs/dbraw/zinc/44/28/42/938442842.db2.gz VOOZKSDRMUNCOZ-SJORKVTESA-N 2 2 357.462 1.263 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490926 938442843 /nfs/dbraw/zinc/44/28/43/938442843.db2.gz VOOZKSDRMUNCOZ-SJORKVTESA-N 2 2 357.462 1.263 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902275 938560946 /nfs/dbraw/zinc/56/09/46/938560946.db2.gz BZBWLBKFWMTAAL-SQNIBIBYSA-N 2 2 369.473 1.127 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130675427 939973547 /nfs/dbraw/zinc/97/35/47/939973547.db2.gz UHLJGHWVHGBJJQ-XLMAVXFVSA-N 2 2 368.485 1.417 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130712618 939999000 /nfs/dbraw/zinc/99/90/00/939999000.db2.gz DCXWHNXMCASOBE-FUHWJXTLSA-N 2 2 356.474 1.247 20 30 FDEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001196595191 971778405 /nfs/dbraw/zinc/77/84/05/971778405.db2.gz ZTDMRRZNPKBBTJ-MOPGFXCFSA-N 2 2 365.518 1.367 20 30 FDEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001196595191 971778407 /nfs/dbraw/zinc/77/84/07/971778407.db2.gz ZTDMRRZNPKBBTJ-MOPGFXCFSA-N 2 2 365.518 1.367 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094165963 959951064 /nfs/dbraw/zinc/95/10/64/959951064.db2.gz GCVLWHKPDCENOX-RHSMWYFYSA-N 2 2 369.444 1.858 20 30 FDEDLP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001094319056 960248970 /nfs/dbraw/zinc/24/89/70/960248970.db2.gz NAPFQRRVZARKRF-IAGOWNOFSA-N 2 2 369.473 1.254 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)on1)CC2 ZINC001094437139 960482030 /nfs/dbraw/zinc/48/20/30/960482030.db2.gz OUAOKFZSJOMPFC-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cc(C)on1)CC2 ZINC001094437139 960482035 /nfs/dbraw/zinc/48/20/35/960482035.db2.gz OUAOKFZSJOMPFC-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cc(C)on1)CC2 ZINC001094437139 960482044 /nfs/dbraw/zinc/48/20/44/960482044.db2.gz OUAOKFZSJOMPFC-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cc(C)on1)CC2 ZINC001094437139 960482049 /nfs/dbraw/zinc/48/20/49/960482049.db2.gz OUAOKFZSJOMPFC-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001095241227 962526502 /nfs/dbraw/zinc/52/65/02/962526502.db2.gz XRSACBJEGRXJQU-XWSJACJDSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001095241227 962526517 /nfs/dbraw/zinc/52/65/17/962526517.db2.gz XRSACBJEGRXJQU-XWSJACJDSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001095241227 962526527 /nfs/dbraw/zinc/52/65/27/962526527.db2.gz XRSACBJEGRXJQU-XWSJACJDSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001095241227 962526542 /nfs/dbraw/zinc/52/65/42/962526542.db2.gz XRSACBJEGRXJQU-XWSJACJDSA-N 2 2 368.481 1.883 20 30 FDEDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001176281892 963400791 /nfs/dbraw/zinc/40/07/91/963400791.db2.gz QZTZPDYVQUOWDA-KRWDZBQOSA-N 2 2 374.444 1.892 20 30 FDEDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001176281892 963400794 /nfs/dbraw/zinc/40/07/94/963400794.db2.gz QZTZPDYVQUOWDA-KRWDZBQOSA-N 2 2 374.444 1.892 20 30 FDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001179191003 964784041 /nfs/dbraw/zinc/78/40/41/964784041.db2.gz GOENALFUBALYOE-MHORFTMASA-N 2 2 351.491 1.021 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001180762538 965575552 /nfs/dbraw/zinc/57/55/52/965575552.db2.gz NGVBZMUNLKUCCS-FHWLQOOXSA-N 2 2 356.470 1.487 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001180762538 965575565 /nfs/dbraw/zinc/57/55/65/965575565.db2.gz NGVBZMUNLKUCCS-FHWLQOOXSA-N 2 2 356.470 1.487 20 30 FDEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001187925915 965909874 /nfs/dbraw/zinc/90/98/74/965909874.db2.gz VJPMUNVLLIKZHP-ZWKOTPCHSA-N 2 2 352.438 1.439 20 30 FDEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001187925915 965909877 /nfs/dbraw/zinc/90/98/77/965909877.db2.gz VJPMUNVLLIKZHP-ZWKOTPCHSA-N 2 2 352.438 1.439 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456894 966331143 /nfs/dbraw/zinc/33/11/43/966331143.db2.gz YHGTXKRXFFRZJA-UWWQBHOKSA-N 2 2 367.453 1.171 20 30 FDEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151222 966794761 /nfs/dbraw/zinc/79/47/61/966794761.db2.gz BVUCHPPFRKDXGF-LEWJYISDSA-N 2 2 369.509 1.343 20 30 FDEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151222 966794770 /nfs/dbraw/zinc/79/47/70/966794770.db2.gz BVUCHPPFRKDXGF-LEWJYISDSA-N 2 2 369.509 1.343 20 30 FDEDLP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151222 966794779 /nfs/dbraw/zinc/79/47/79/966794779.db2.gz BVUCHPPFRKDXGF-LEWJYISDSA-N 2 2 369.509 1.343 20 30 FDEDLP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151222 966794786 /nfs/dbraw/zinc/79/47/86/966794786.db2.gz BVUCHPPFRKDXGF-LEWJYISDSA-N 2 2 369.509 1.343 20 30 FDEDLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2)CC1 ZINC000852890183 967692901 /nfs/dbraw/zinc/69/29/01/967692901.db2.gz SLKWZGTWEJPHJY-UHFFFAOYSA-N 2 2 368.481 1.292 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194321322 970103561 /nfs/dbraw/zinc/10/35/61/970103561.db2.gz RSRWNIBKUQRJIY-IAGOWNOFSA-N 2 2 350.463 1.258 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194321322 970103567 /nfs/dbraw/zinc/10/35/67/970103567.db2.gz RSRWNIBKUQRJIY-IAGOWNOFSA-N 2 2 350.463 1.258 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cnc(C#N)cn2)cc1 ZINC001198008249 972636020 /nfs/dbraw/zinc/63/60/20/972636020.db2.gz UXQOFCYZOBRXLU-UHFFFAOYSA-N 2 2 352.442 1.984 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cnc(C#N)cn2)cc1 ZINC001198008249 972636028 /nfs/dbraw/zinc/63/60/28/972636028.db2.gz UXQOFCYZOBRXLU-UHFFFAOYSA-N 2 2 352.442 1.984 20 30 FDEDLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001199119397 973960009 /nfs/dbraw/zinc/96/00/09/973960009.db2.gz CQZUGSMZPCVDKC-QZTJIDSGSA-N 2 2 363.889 1.193 20 30 FDEDLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001199119397 973960010 /nfs/dbraw/zinc/96/00/10/973960010.db2.gz CQZUGSMZPCVDKC-QZTJIDSGSA-N 2 2 363.889 1.193 20 30 FDEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001199119397 973960016 /nfs/dbraw/zinc/96/00/16/973960016.db2.gz CQZUGSMZPCVDKC-QZTJIDSGSA-N 2 2 363.889 1.193 20 30 FDEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001199119397 973960019 /nfs/dbraw/zinc/96/00/19/973960019.db2.gz CQZUGSMZPCVDKC-QZTJIDSGSA-N 2 2 363.889 1.193 20 30 FDEDLP Cc1cc(C=NNCCCn2cc[nH+]c2)c(C)n1CC[NH+]1CCOCC1 ZINC000848419122 976724766 /nfs/dbraw/zinc/72/47/66/976724766.db2.gz ZBFDNMHJJIAWBP-UHFFFAOYSA-N 2 2 358.490 1.647 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000884261513 983036208 /nfs/dbraw/zinc/03/62/08/983036208.db2.gz NLJDFDCWANCVPJ-SFHVURJKSA-N 2 2 355.486 1.887 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000884261513 983036219 /nfs/dbraw/zinc/03/62/19/983036219.db2.gz NLJDFDCWANCVPJ-SFHVURJKSA-N 2 2 355.486 1.887 20 30 FDEDLP C#CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000886355404 986094375 /nfs/dbraw/zinc/09/43/75/986094375.db2.gz HZOBZPIONLWUNF-GOSISDBHSA-N 2 2 355.482 1.480 20 30 FDEDLP C#CC[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000886355404 986094394 /nfs/dbraw/zinc/09/43/94/986094394.db2.gz HZOBZPIONLWUNF-GOSISDBHSA-N 2 2 355.482 1.480 20 30 FDEDLP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000872634013 987888624 /nfs/dbraw/zinc/88/86/24/987888624.db2.gz SCEDQOSSPKPCRP-UHFFFAOYSA-N 2 2 372.513 1.846 20 30 FDEDLP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000872634013 987888626 /nfs/dbraw/zinc/88/86/26/987888626.db2.gz SCEDQOSSPKPCRP-UHFFFAOYSA-N 2 2 372.513 1.846 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC000361017130 988249218 /nfs/dbraw/zinc/24/92/18/988249218.db2.gz DQMGOKBEABEFQO-GOSISDBHSA-N 2 2 363.550 1.306 20 30 FDEDLP CN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366855490 988819628 /nfs/dbraw/zinc/81/96/28/988819628.db2.gz SXRSOTMZUQDRFG-LJQANCHMSA-N 2 2 370.497 1.758 20 30 FDEDLP CN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366855490 988819639 /nfs/dbraw/zinc/81/96/39/988819639.db2.gz SXRSOTMZUQDRFG-LJQANCHMSA-N 2 2 370.497 1.758 20 30 FDEDLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000371540475 990512562 /nfs/dbraw/zinc/51/25/62/990512562.db2.gz YANWNPOREUUOCH-OALUTQOASA-N 2 2 351.454 1.912 20 30 FDEDLP Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000371540475 990512568 /nfs/dbraw/zinc/51/25/68/990512568.db2.gz YANWNPOREUUOCH-OALUTQOASA-N 2 2 351.454 1.912 20 30 FDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371664022 990608322 /nfs/dbraw/zinc/60/83/22/990608322.db2.gz OLVGCFSISHLNCB-PKOBYXMFSA-N 2 2 358.486 1.474 20 30 FDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000372384497 991066276 /nfs/dbraw/zinc/06/62/76/991066276.db2.gz RDGRKMYHUOWUHA-SFHVURJKSA-N 2 2 351.454 1.863 20 30 FDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000372384497 991066286 /nfs/dbraw/zinc/06/62/86/991066286.db2.gz RDGRKMYHUOWUHA-SFHVURJKSA-N 2 2 351.454 1.863 20 30 FDEDLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782059 992908877 /nfs/dbraw/zinc/90/88/77/992908877.db2.gz MPINZESNIKVXEB-UZLBHIALSA-N 2 2 369.513 1.135 20 30 FDEDLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782059 992908880 /nfs/dbraw/zinc/90/88/80/992908880.db2.gz MPINZESNIKVXEB-UZLBHIALSA-N 2 2 369.513 1.135 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375332792 993077718 /nfs/dbraw/zinc/07/77/18/993077718.db2.gz DERDWOAKCLAXMC-LJQANCHMSA-N 2 2 366.550 1.139 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375332792 993077729 /nfs/dbraw/zinc/07/77/29/993077729.db2.gz DERDWOAKCLAXMC-LJQANCHMSA-N 2 2 366.550 1.139 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cnn(CC)c1 ZINC001095556575 993448525 /nfs/dbraw/zinc/44/85/25/993448525.db2.gz ZWRPUVPTUCWJQH-FYQPLNBISA-N 2 2 369.513 1.265 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cnn(CC)c1 ZINC001095556575 993448543 /nfs/dbraw/zinc/44/85/43/993448543.db2.gz ZWRPUVPTUCWJQH-FYQPLNBISA-N 2 2 369.513 1.265 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1cnn(CC)c1 ZINC001095556575 993448559 /nfs/dbraw/zinc/44/85/59/993448559.db2.gz ZWRPUVPTUCWJQH-FYQPLNBISA-N 2 2 369.513 1.265 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1cnn(CC)c1 ZINC001095556575 993448569 /nfs/dbraw/zinc/44/85/69/993448569.db2.gz ZWRPUVPTUCWJQH-FYQPLNBISA-N 2 2 369.513 1.265 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001111023666 1004744770 /nfs/dbraw/zinc/74/47/70/1004744770.db2.gz VMYGAZNRIROCQL-SUMDDJOVSA-N 2 2 372.469 1.255 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001111023666 1004744774 /nfs/dbraw/zinc/74/47/74/1004744774.db2.gz VMYGAZNRIROCQL-SUMDDJOVSA-N 2 2 372.469 1.255 20 30 FDEDLP COc1cc(C#N)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932578340 1005022442 /nfs/dbraw/zinc/02/24/42/1005022442.db2.gz XBHGESGJMXKWNN-KRWDZBQOSA-N 2 2 356.470 1.807 20 30 FDEDLP COc1cc(C#N)ccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932578340 1005022447 /nfs/dbraw/zinc/02/24/47/1005022447.db2.gz XBHGESGJMXKWNN-KRWDZBQOSA-N 2 2 356.470 1.807 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001111161497 1006542145 /nfs/dbraw/zinc/54/21/45/1006542145.db2.gz MYWBKSLPVHKWLF-KURKYZTESA-N 2 2 364.534 1.522 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001111161497 1006542159 /nfs/dbraw/zinc/54/21/59/1006542159.db2.gz MYWBKSLPVHKWLF-KURKYZTESA-N 2 2 364.534 1.522 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111161497 1006542170 /nfs/dbraw/zinc/54/21/70/1006542170.db2.gz MYWBKSLPVHKWLF-KURKYZTESA-N 2 2 364.534 1.522 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111161497 1006542184 /nfs/dbraw/zinc/54/21/84/1006542184.db2.gz MYWBKSLPVHKWLF-KURKYZTESA-N 2 2 364.534 1.522 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)C1=O ZINC001095863524 1011966723 /nfs/dbraw/zinc/96/67/23/1011966723.db2.gz SVONZOSUCDTGLF-OWSLCNJRSA-N 2 2 374.529 1.369 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)C1=O ZINC001095863524 1011966736 /nfs/dbraw/zinc/96/67/36/1011966736.db2.gz SVONZOSUCDTGLF-OWSLCNJRSA-N 2 2 374.529 1.369 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)CC1 ZINC000173708753 258308455 /nfs/dbraw/zinc/30/84/55/258308455.db2.gz VTYMYMVAAYZLCQ-SFHVURJKSA-N 2 2 366.469 1.820 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)CC1 ZINC000173708753 258308456 /nfs/dbraw/zinc/30/84/56/258308456.db2.gz VTYMYMVAAYZLCQ-SFHVURJKSA-N 2 2 366.469 1.820 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000077316328 523293354 /nfs/dbraw/zinc/29/33/54/523293354.db2.gz OZEYLCNYKSMZAL-GOSISDBHSA-N 2 2 358.486 1.657 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000077316328 523293359 /nfs/dbraw/zinc/29/33/59/523293359.db2.gz OZEYLCNYKSMZAL-GOSISDBHSA-N 2 2 358.486 1.657 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000123171353 524695973 /nfs/dbraw/zinc/69/59/73/524695973.db2.gz ARFCKCROCUXVME-HOTGVXAUSA-N 2 2 366.531 1.546 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000123171353 524695984 /nfs/dbraw/zinc/69/59/84/524695984.db2.gz ARFCKCROCUXVME-HOTGVXAUSA-N 2 2 366.531 1.546 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000091553724 524724252 /nfs/dbraw/zinc/72/42/52/524724252.db2.gz UPHGDUOZUGMLDV-LJQANCHMSA-N 2 2 363.550 1.483 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000091553724 524724262 /nfs/dbraw/zinc/72/42/62/524724262.db2.gz UPHGDUOZUGMLDV-LJQANCHMSA-N 2 2 363.550 1.483 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000091629008 524747833 /nfs/dbraw/zinc/74/78/33/524747833.db2.gz LWGMVOBBVLHAEU-FHWLQOOXSA-N 2 2 372.517 1.458 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000091629008 524747839 /nfs/dbraw/zinc/74/78/39/524747839.db2.gz LWGMVOBBVLHAEU-FHWLQOOXSA-N 2 2 372.517 1.458 20 30 FDEDLP C=CCSCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000124195922 524925997 /nfs/dbraw/zinc/92/59/97/524925997.db2.gz XDJMTLZPJXWRIQ-SJPCQFCGSA-N 2 2 352.548 1.858 20 30 FDEDLP C=CCSCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000124195922 524926004 /nfs/dbraw/zinc/92/60/04/524926004.db2.gz XDJMTLZPJXWRIQ-SJPCQFCGSA-N 2 2 352.548 1.858 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000154389885 525518105 /nfs/dbraw/zinc/51/81/05/525518105.db2.gz VXEGMXAAZIFERG-UHFFFAOYSA-N 2 2 350.413 1.934 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000154389885 525518117 /nfs/dbraw/zinc/51/81/17/525518117.db2.gz VXEGMXAAZIFERG-UHFFFAOYSA-N 2 2 350.413 1.934 20 30 FDEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccsc1 ZINC000261989504 537253390 /nfs/dbraw/zinc/25/33/90/537253390.db2.gz LHTDKLNWIHAGLG-OAHLLOKOSA-N 2 2 359.503 1.278 20 30 FDEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330224394 537652269 /nfs/dbraw/zinc/65/22/69/537652269.db2.gz NQBFYYWPMRARCK-QZTJIDSGSA-N 2 2 361.490 1.881 20 30 FDEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330224394 537652274 /nfs/dbraw/zinc/65/22/74/537652274.db2.gz NQBFYYWPMRARCK-QZTJIDSGSA-N 2 2 361.490 1.881 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837656 538094702 /nfs/dbraw/zinc/09/47/02/538094702.db2.gz CZQHQDFODAKKPR-VQIMIIECSA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837656 538094705 /nfs/dbraw/zinc/09/47/05/538094705.db2.gz CZQHQDFODAKKPR-VQIMIIECSA-N 2 2 370.497 1.952 20 30 FDEDLP C[NH+](C)[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000433345565 538229103 /nfs/dbraw/zinc/22/91/03/538229103.db2.gz YNBGGTSVJIGMHO-IBGZPJMESA-N 2 2 358.486 1.754 20 30 FDEDLP C=CCCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000561759912 545945590 /nfs/dbraw/zinc/94/55/90/545945590.db2.gz LIDRGUXWFHUJGT-UHFFFAOYSA-N 2 2 350.507 1.135 20 30 FDEDLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000562199432 546055212 /nfs/dbraw/zinc/05/52/12/546055212.db2.gz HBOGUNSXARHDEP-UHFFFAOYSA-N 2 2 363.531 1.931 20 30 FDEDLP N#Cc1cccnc1OC1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000568499925 548561844 /nfs/dbraw/zinc/56/18/44/548561844.db2.gz ZSECQGWPPMVEDH-GMNCBBECSA-N 2 2 356.470 2.000 20 30 FDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000569932050 549099594 /nfs/dbraw/zinc/09/95/94/549099594.db2.gz USSPAHGNYDVMCL-FQEVSTJZSA-N 2 2 357.502 1.549 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+](CC)c2ccccc2)CC1 ZINC000573818068 550217254 /nfs/dbraw/zinc/21/72/54/550217254.db2.gz JOHUGOWMAOCZFG-UHFFFAOYSA-N 2 2 372.513 1.786 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+](CC)c2ccccc2)CC1 ZINC000573818068 550217256 /nfs/dbraw/zinc/21/72/56/550217256.db2.gz JOHUGOWMAOCZFG-UHFFFAOYSA-N 2 2 372.513 1.786 20 30 FDEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000573860297 550222960 /nfs/dbraw/zinc/22/29/60/550222960.db2.gz QXSZLUMKTCSXOC-LJQANCHMSA-N 2 2 362.514 1.980 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000578423731 550761694 /nfs/dbraw/zinc/76/16/94/550761694.db2.gz XSHFUVOTSCXABV-LBPRGKRZSA-N 2 2 352.236 1.427 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000578423731 550761696 /nfs/dbraw/zinc/76/16/96/550761696.db2.gz XSHFUVOTSCXABV-LBPRGKRZSA-N 2 2 352.236 1.427 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579650431 550895887 /nfs/dbraw/zinc/89/58/87/550895887.db2.gz BIRLGJWKCRCVSA-UHOSZYNNSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579650431 550895889 /nfs/dbraw/zinc/89/58/89/550895889.db2.gz BIRLGJWKCRCVSA-UHOSZYNNSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579650431 550895890 /nfs/dbraw/zinc/89/58/90/550895890.db2.gz BIRLGJWKCRCVSA-UHOSZYNNSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579650431 550895892 /nfs/dbraw/zinc/89/58/92/550895892.db2.gz BIRLGJWKCRCVSA-UHOSZYNNSA-N 2 2 370.497 1.841 20 30 FDEDLP CC(C)[NH+](CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C ZINC000581246436 551067735 /nfs/dbraw/zinc/06/77/35/551067735.db2.gz VHCVPJWBMMDUDJ-UHFFFAOYSA-N 2 2 352.504 1.825 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000584416062 551493697 /nfs/dbraw/zinc/49/36/97/551493697.db2.gz JSYGPDUIDZVDPV-UHFFFAOYSA-N 2 2 373.501 1.335 20 30 FDEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005082 551756227 /nfs/dbraw/zinc/75/62/27/551756227.db2.gz JSIAWNYQCVUYHS-UXHICEINSA-N 2 2 366.465 1.899 20 30 FDEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005082 551756229 /nfs/dbraw/zinc/75/62/29/551756229.db2.gz JSIAWNYQCVUYHS-UXHICEINSA-N 2 2 366.465 1.899 20 30 FDEDLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005082 551756231 /nfs/dbraw/zinc/75/62/31/551756231.db2.gz JSIAWNYQCVUYHS-UXHICEINSA-N 2 2 366.465 1.899 20 30 FDEDLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005082 551756232 /nfs/dbraw/zinc/75/62/32/551756232.db2.gz JSIAWNYQCVUYHS-UXHICEINSA-N 2 2 366.465 1.899 20 30 FDEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005086 551756283 /nfs/dbraw/zinc/75/62/83/551756283.db2.gz JSIAWNYQCVUYHS-WOJBJXKFSA-N 2 2 366.465 1.899 20 30 FDEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005086 551756285 /nfs/dbraw/zinc/75/62/85/551756285.db2.gz JSIAWNYQCVUYHS-WOJBJXKFSA-N 2 2 366.465 1.899 20 30 FDEDLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005086 551756286 /nfs/dbraw/zinc/75/62/86/551756286.db2.gz JSIAWNYQCVUYHS-WOJBJXKFSA-N 2 2 366.465 1.899 20 30 FDEDLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005086 551756288 /nfs/dbraw/zinc/75/62/88/551756288.db2.gz JSIAWNYQCVUYHS-WOJBJXKFSA-N 2 2 366.465 1.899 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H](C[NH3+])C1 ZINC000591278190 551855586 /nfs/dbraw/zinc/85/55/86/551855586.db2.gz ZHTBBEGCRNLEEE-MRXNPFEDSA-N 2 2 366.425 1.852 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H](C[NH3+])C1 ZINC000591278190 551855588 /nfs/dbraw/zinc/85/55/88/551855588.db2.gz ZHTBBEGCRNLEEE-MRXNPFEDSA-N 2 2 366.425 1.852 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000591539555 551877024 /nfs/dbraw/zinc/87/70/24/551877024.db2.gz IBGFGAOXPGCOQP-UHFFFAOYSA-N 2 2 370.497 1.956 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000591539555 551877025 /nfs/dbraw/zinc/87/70/25/551877025.db2.gz IBGFGAOXPGCOQP-UHFFFAOYSA-N 2 2 370.497 1.956 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000592184115 551954946 /nfs/dbraw/zinc/95/49/46/551954946.db2.gz ZCBFDJRVPIBQCW-UHFFFAOYSA-N 2 2 353.426 1.905 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000592184115 551954947 /nfs/dbraw/zinc/95/49/47/551954947.db2.gz ZCBFDJRVPIBQCW-UHFFFAOYSA-N 2 2 353.426 1.905 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)cnc12 ZINC000592504235 552003163 /nfs/dbraw/zinc/00/31/63/552003163.db2.gz RDNFKYTUKQUMEX-MSOLQXFVSA-N 2 2 354.458 1.458 20 30 FDEDLP C[NH+](C)CCc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000594258663 552272192 /nfs/dbraw/zinc/27/21/92/552272192.db2.gz TWZJCBKNVRUMSN-UHFFFAOYSA-N 2 2 358.486 1.479 20 30 FDEDLP Cc1cccc([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]2CCOCC2)c1 ZINC000594441732 552310794 /nfs/dbraw/zinc/31/07/94/552310794.db2.gz VWDUJMHMCDHWSY-RTBURBONSA-N 2 2 358.486 1.896 20 30 FDEDLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594446272 552312287 /nfs/dbraw/zinc/31/22/87/552312287.db2.gz OTNUSUOAMMCIKL-LJQANCHMSA-N 2 2 371.485 1.700 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000595106006 552452197 /nfs/dbraw/zinc/45/21/97/552452197.db2.gz GMWZBYFYQWPATI-ZDUSSCGKSA-N 2 2 363.437 1.024 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000595106006 552452199 /nfs/dbraw/zinc/45/21/99/552452199.db2.gz GMWZBYFYQWPATI-ZDUSSCGKSA-N 2 2 363.437 1.024 20 30 FDEDLP N#Cc1ccsc1N1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000596045312 552649218 /nfs/dbraw/zinc/64/92/18/552649218.db2.gz BQMDVKHDBQCLGT-CVEARBPZSA-N 2 2 360.483 1.568 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000596828924 552715510 /nfs/dbraw/zinc/71/55/10/552715510.db2.gz NZWLOHZRBWULFM-SFHVURJKSA-N 2 2 351.454 1.908 20 30 FDEDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599623122 553106091 /nfs/dbraw/zinc/10/60/91/553106091.db2.gz SCDVIWMHBHNXHA-QGZVFWFLSA-N 2 2 351.491 1.244 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000611180983 554612976 /nfs/dbraw/zinc/61/29/76/554612976.db2.gz OKDZQQHJASPASI-HXUWFJFHSA-N 2 2 369.513 1.575 20 30 FDEDLP [NH2+]=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCSCC1 ZINC000263286147 672869695 /nfs/dbraw/zinc/86/96/95/672869695.db2.gz UQYKESIXGIYYRD-INIZCTEOSA-N 2 2 350.557 1.968 20 30 FDEDLP [NH2+]=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N1CCSCC1 ZINC000263286147 672869701 /nfs/dbraw/zinc/86/97/01/672869701.db2.gz UQYKESIXGIYYRD-INIZCTEOSA-N 2 2 350.557 1.968 20 30 FDEDLP N#Cc1c(F)ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1Cl ZINC000365495216 677359638 /nfs/dbraw/zinc/35/96/38/677359638.db2.gz XPEODVSOXVGGML-HNNXBMFYSA-N 2 2 366.868 1.847 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000970013224 771199408 /nfs/dbraw/zinc/19/94/08/771199408.db2.gz QLBXTYCRKVQDHB-BRWVUGGUSA-N 2 2 367.428 1.925 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001087141409 775153369 /nfs/dbraw/zinc/15/33/69/775153369.db2.gz LJHFUPVVHLPWEY-UXPWSPDFSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001087141409 775153380 /nfs/dbraw/zinc/15/33/80/775153380.db2.gz LJHFUPVVHLPWEY-UXPWSPDFSA-N 2 2 370.497 1.606 20 30 FDEDLP CON=Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000255314381 776972496 /nfs/dbraw/zinc/97/24/96/776972496.db2.gz BBQSVZHHRZDIKB-UHFFFAOYSA-N 2 2 358.486 1.955 20 30 FDEDLP C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658494443 784147004 /nfs/dbraw/zinc/14/70/04/784147004.db2.gz BWQUFLIZBSLTGW-QGZVFWFLSA-N 2 2 364.534 1.286 20 30 FDEDLP C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658494443 784147008 /nfs/dbraw/zinc/14/70/08/784147008.db2.gz BWQUFLIZBSLTGW-QGZVFWFLSA-N 2 2 364.534 1.286 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000892449629 784382038 /nfs/dbraw/zinc/38/20/38/784382038.db2.gz IDUJSNHFGNRKEA-UAPYVXQJSA-N 2 2 355.486 1.903 20 30 FDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000644626148 792400562 /nfs/dbraw/zinc/40/05/62/792400562.db2.gz MNUIDAJVOLVJEO-DLBZAZTESA-N 2 2 357.454 1.965 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001112130278 814800696 /nfs/dbraw/zinc/80/06/96/814800696.db2.gz KQTKKMKIBJCYRA-CHWSQXEVSA-N 2 2 350.344 1.950 20 30 FDEDLP Cc1cc(=O)n(C)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000328600623 819529415 /nfs/dbraw/zinc/52/94/15/819529415.db2.gz DCNRALACHOWQMK-UHFFFAOYSA-N 2 2 361.490 1.578 20 30 FDEDLP C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000330256597 825770043 /nfs/dbraw/zinc/77/00/43/825770043.db2.gz KUHJIPDFFPMCEY-ULQDDVLXSA-N 2 2 368.522 1.195 20 30 FDEDLP C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000330256597 825770048 /nfs/dbraw/zinc/77/00/48/825770048.db2.gz KUHJIPDFFPMCEY-ULQDDVLXSA-N 2 2 368.522 1.195 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088493883 831772567 /nfs/dbraw/zinc/77/25/67/831772567.db2.gz CPGHFALUQRVFFK-FHLIZLRMSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088493883 831772571 /nfs/dbraw/zinc/77/25/71/831772571.db2.gz CPGHFALUQRVFFK-FHLIZLRMSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088493883 831772576 /nfs/dbraw/zinc/77/25/76/831772576.db2.gz CPGHFALUQRVFFK-FHLIZLRMSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088493883 831772583 /nfs/dbraw/zinc/77/25/83/831772583.db2.gz CPGHFALUQRVFFK-FHLIZLRMSA-N 2 2 356.470 1.740 20 30 FDEDLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000532920982 835570109 /nfs/dbraw/zinc/57/01/09/835570109.db2.gz ZZZGZRYPPAVMLS-UHFFFAOYSA-N 2 2 366.469 1.956 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105667938 843725294 /nfs/dbraw/zinc/72/52/94/843725294.db2.gz GRAYKLSKIMOFMG-JYBIWHBTSA-N 2 2 358.486 1.250 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673770 845425469 /nfs/dbraw/zinc/42/54/69/845425469.db2.gz OVLYPWRFHADLOH-JYBIWHBTSA-N 2 2 360.502 1.815 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@@H]1O ZINC001083535275 846914412 /nfs/dbraw/zinc/91/44/12/846914412.db2.gz JFPZKRZRDYBVMQ-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@@H]1O ZINC001083535275 846914413 /nfs/dbraw/zinc/91/44/13/846914413.db2.gz JFPZKRZRDYBVMQ-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)ccc2C)C[C@@H]1O ZINC001083535275 846914414 /nfs/dbraw/zinc/91/44/14/846914414.db2.gz JFPZKRZRDYBVMQ-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)ccc2C)C[C@@H]1O ZINC001083535275 846914415 /nfs/dbraw/zinc/91/44/15/846914415.db2.gz JFPZKRZRDYBVMQ-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076574732 848449799 /nfs/dbraw/zinc/44/97/99/848449799.db2.gz MOMUFRMEYGWHMG-AZUAARDMSA-N 2 2 366.440 1.915 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076574732 848449802 /nfs/dbraw/zinc/44/98/02/848449802.db2.gz MOMUFRMEYGWHMG-AZUAARDMSA-N 2 2 366.440 1.915 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nc(C)oc4C)C[C@H]32)CC1 ZINC001076605873 848557458 /nfs/dbraw/zinc/55/74/58/848557458.db2.gz XNHJLTORUDXDIW-AZUAARDMSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nc(C)oc4C)C[C@H]32)CC1 ZINC001076605873 848557463 /nfs/dbraw/zinc/55/74/63/848557463.db2.gz XNHJLTORUDXDIW-AZUAARDMSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@H]1O ZINC001077159181 849955353 /nfs/dbraw/zinc/95/53/53/849955353.db2.gz SCHFUJFXXGFNHJ-QHAWAJNXSA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(CC)cc2)C[C@H]1O ZINC001077159181 849955355 /nfs/dbraw/zinc/95/53/55/849955355.db2.gz SCHFUJFXXGFNHJ-QHAWAJNXSA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(CC)cc2)C[C@H]1O ZINC001077159181 849955357 /nfs/dbraw/zinc/95/53/57/849955357.db2.gz SCHFUJFXXGFNHJ-QHAWAJNXSA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(CC)cc2)C[C@H]1O ZINC001077159181 849955359 /nfs/dbraw/zinc/95/53/59/849955359.db2.gz SCHFUJFXXGFNHJ-QHAWAJNXSA-N 2 2 369.509 1.050 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001089052964 866322881 /nfs/dbraw/zinc/32/28/81/866322881.db2.gz GAHKIDQFBLGDJR-MNEFBYGVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001089052964 866322901 /nfs/dbraw/zinc/32/29/01/866322901.db2.gz GAHKIDQFBLGDJR-MNEFBYGVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001089052964 866322915 /nfs/dbraw/zinc/32/29/15/866322915.db2.gz GAHKIDQFBLGDJR-MNEFBYGVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001089052964 866322930 /nfs/dbraw/zinc/32/29/30/866322930.db2.gz GAHKIDQFBLGDJR-MNEFBYGVSA-N 2 2 356.470 1.358 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672781953 871706830 /nfs/dbraw/zinc/70/68/30/871706830.db2.gz UFSQKSZGVJLYMO-SJLPKXTDSA-N 2 2 364.534 1.474 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672781953 871706840 /nfs/dbraw/zinc/70/68/40/871706840.db2.gz UFSQKSZGVJLYMO-SJLPKXTDSA-N 2 2 364.534 1.474 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000914289478 872194337 /nfs/dbraw/zinc/19/43/37/872194337.db2.gz OFPCHJIBJBDNFR-UHFFFAOYSA-N 2 2 352.442 1.473 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)O1 ZINC001003140281 872642348 /nfs/dbraw/zinc/64/23/48/872642348.db2.gz RALQKSNLGMHXLO-CXAGYDPISA-N 2 2 362.499 1.419 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)O1 ZINC001003140281 872642364 /nfs/dbraw/zinc/64/23/64/872642364.db2.gz RALQKSNLGMHXLO-CXAGYDPISA-N 2 2 362.499 1.419 20 30 FDEDLP Cn1cccc1C(O)=CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181836573 891562359 /nfs/dbraw/zinc/56/23/59/891562359.db2.gz AQBSXAUFQMCJHW-SFHVURJKSA-N 2 2 356.426 1.398 20 30 FDEDLP Cn1cccc1C(O)=CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181836573 891562371 /nfs/dbraw/zinc/56/23/71/891562371.db2.gz AQBSXAUFQMCJHW-SFHVURJKSA-N 2 2 356.426 1.398 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(OC)cc3)C[C@H]21 ZINC001084417923 914377297 /nfs/dbraw/zinc/37/72/97/914377297.db2.gz MACHJLINIYFYDJ-HLAWJBBLSA-N 2 2 367.493 1.826 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OC)cc3)C[C@H]21 ZINC001084417923 914377313 /nfs/dbraw/zinc/37/73/13/914377313.db2.gz MACHJLINIYFYDJ-HLAWJBBLSA-N 2 2 367.493 1.826 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(OC)cc3)C[C@H]21 ZINC001084417923 914377328 /nfs/dbraw/zinc/37/73/28/914377328.db2.gz MACHJLINIYFYDJ-HLAWJBBLSA-N 2 2 367.493 1.826 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(OC)cc3)C[C@H]21 ZINC001084417923 914377340 /nfs/dbraw/zinc/37/73/40/914377340.db2.gz MACHJLINIYFYDJ-HLAWJBBLSA-N 2 2 367.493 1.826 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001079147244 901971577 /nfs/dbraw/zinc/97/15/77/901971577.db2.gz FEPKGINYPHCECB-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001079147244 901971585 /nfs/dbraw/zinc/97/15/85/901971585.db2.gz FEPKGINYPHCECB-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001079147244 901971589 /nfs/dbraw/zinc/97/15/89/901971589.db2.gz FEPKGINYPHCECB-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001079147244 901971596 /nfs/dbraw/zinc/97/15/96/901971596.db2.gz FEPKGINYPHCECB-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263697 902306958 /nfs/dbraw/zinc/30/69/58/902306958.db2.gz HRSRJLPOYVGVCE-CEXWTWQISA-N 2 2 370.497 1.797 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265384 902310704 /nfs/dbraw/zinc/31/07/04/902310704.db2.gz GZUSRQMWEMXORD-RYQLBKOJSA-N 2 2 356.470 1.161 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001079878097 903600817 /nfs/dbraw/zinc/60/08/17/903600817.db2.gz GALZSDVNNHALHQ-YSGRDPCXSA-N 2 2 354.498 1.733 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001079878097 903600823 /nfs/dbraw/zinc/60/08/23/903600823.db2.gz GALZSDVNNHALHQ-YSGRDPCXSA-N 2 2 354.498 1.733 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001079878097 903600833 /nfs/dbraw/zinc/60/08/33/903600833.db2.gz GALZSDVNNHALHQ-YSGRDPCXSA-N 2 2 354.498 1.733 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001079878097 903600838 /nfs/dbraw/zinc/60/08/38/903600838.db2.gz GALZSDVNNHALHQ-YSGRDPCXSA-N 2 2 354.498 1.733 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001081680868 904928453 /nfs/dbraw/zinc/92/84/53/904928453.db2.gz NVYOKANKLCJXSB-BRSBDYLESA-N 2 2 358.486 1.545 20 30 FDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001081680868 904928454 /nfs/dbraw/zinc/92/84/54/904928454.db2.gz NVYOKANKLCJXSB-BRSBDYLESA-N 2 2 358.486 1.545 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066254 905703316 /nfs/dbraw/zinc/70/33/16/905703316.db2.gz IHDCVBGXEJPOQS-MJUUVYJYSA-N 2 2 369.509 1.584 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066254 905703322 /nfs/dbraw/zinc/70/33/22/905703322.db2.gz IHDCVBGXEJPOQS-MJUUVYJYSA-N 2 2 369.509 1.584 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066254 905703328 /nfs/dbraw/zinc/70/33/28/905703328.db2.gz IHDCVBGXEJPOQS-MJUUVYJYSA-N 2 2 369.509 1.584 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066254 905703331 /nfs/dbraw/zinc/70/33/31/905703331.db2.gz IHDCVBGXEJPOQS-MJUUVYJYSA-N 2 2 369.509 1.584 20 30 FDEDLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082609108 908989316 /nfs/dbraw/zinc/98/93/16/908989316.db2.gz RGLJXDQLBRGFAQ-AUUYWEPGSA-N 2 2 367.453 1.858 20 30 FDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999159780 912139796 /nfs/dbraw/zinc/13/97/96/912139796.db2.gz FYXQXOJSIZVJLF-BACDZXNISA-N 2 2 371.909 1.198 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084523563 915175512 /nfs/dbraw/zinc/17/55/12/915175512.db2.gz MUCSPRRICGOGOU-UYAOXDASSA-N 2 2 366.440 1.915 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084523563 915175518 /nfs/dbraw/zinc/17/55/18/915175518.db2.gz MUCSPRRICGOGOU-UYAOXDASSA-N 2 2 366.440 1.915 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724383 930227538 /nfs/dbraw/zinc/22/75/38/930227538.db2.gz PUJXKHYWYRKIQC-NCOADZHNSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724383 930227547 /nfs/dbraw/zinc/22/75/47/930227547.db2.gz PUJXKHYWYRKIQC-NCOADZHNSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109724383 930227557 /nfs/dbraw/zinc/22/75/57/930227557.db2.gz PUJXKHYWYRKIQC-NCOADZHNSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109724383 930227562 /nfs/dbraw/zinc/22/75/62/930227562.db2.gz PUJXKHYWYRKIQC-NCOADZHNSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000627 938607729 /nfs/dbraw/zinc/60/77/29/938607729.db2.gz HJCOFXIYROHFOH-BMFZPTHFSA-N 2 2 355.446 1.039 20 30 FDEDLP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001130288474 938793461 /nfs/dbraw/zinc/79/34/61/938793461.db2.gz RBIJJRJLZMNGGP-BEFAXECRSA-N 2 2 359.474 1.004 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001130672096 939971102 /nfs/dbraw/zinc/97/11/02/939971102.db2.gz GIDREDYQOCEBOK-RVKKMQEKSA-N 2 2 368.485 1.723 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130682490 939981912 /nfs/dbraw/zinc/98/19/12/939981912.db2.gz BGRHGCFRYMREDC-SOLBZPMBSA-N 2 2 354.458 1.175 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@@]2(C)C1 ZINC001091749129 952788289 /nfs/dbraw/zinc/78/82/89/952788289.db2.gz AIRSPQDPOVVNFE-DYXWJJEUSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnc(C)nc3)C[C@@]2(C)C1 ZINC001091749129 952788293 /nfs/dbraw/zinc/78/82/93/952788293.db2.gz AIRSPQDPOVVNFE-DYXWJJEUSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnc(C)nc3)C[C@@]2(C)C1 ZINC001091749129 952788297 /nfs/dbraw/zinc/78/82/97/952788297.db2.gz AIRSPQDPOVVNFE-DYXWJJEUSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnc(C)nc3)C[C@@]2(C)C1 ZINC001091749129 952788301 /nfs/dbraw/zinc/78/83/01/952788301.db2.gz AIRSPQDPOVVNFE-DYXWJJEUSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccn(CC)n3)C[C@@]2(C)C1 ZINC001091750109 952790070 /nfs/dbraw/zinc/79/00/70/952790070.db2.gz YHHDJUQYNJWJSK-LMNJBCLMSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccn(CC)n3)C[C@@]2(C)C1 ZINC001091750109 952790072 /nfs/dbraw/zinc/79/00/72/952790072.db2.gz YHHDJUQYNJWJSK-LMNJBCLMSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccn(CC)n3)C[C@@]2(C)C1 ZINC001091750109 952790074 /nfs/dbraw/zinc/79/00/74/952790074.db2.gz YHHDJUQYNJWJSK-LMNJBCLMSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccn(CC)n3)C[C@@]2(C)C1 ZINC001091750109 952790077 /nfs/dbraw/zinc/79/00/77/952790077.db2.gz YHHDJUQYNJWJSK-LMNJBCLMSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cncn1C)CC2 ZINC001094437685 960481437 /nfs/dbraw/zinc/48/14/37/960481437.db2.gz XVWLOYMELVRZAD-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cncn1C)CC2 ZINC001094437685 960481445 /nfs/dbraw/zinc/48/14/45/960481445.db2.gz XVWLOYMELVRZAD-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cncn1C)CC2 ZINC001094437685 960481455 /nfs/dbraw/zinc/48/14/55/960481455.db2.gz XVWLOYMELVRZAD-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cncn1C)CC2 ZINC001094437685 960481465 /nfs/dbraw/zinc/48/14/65/960481465.db2.gz XVWLOYMELVRZAD-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001095266011 962724301 /nfs/dbraw/zinc/72/43/01/962724301.db2.gz ZJIAEEMIRSKZOO-YDZRNGNQSA-N 2 2 354.454 1.110 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001095266011 962724314 /nfs/dbraw/zinc/72/43/14/962724314.db2.gz ZJIAEEMIRSKZOO-YDZRNGNQSA-N 2 2 354.454 1.110 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1 ZINC001095266011 962724329 /nfs/dbraw/zinc/72/43/29/962724329.db2.gz ZJIAEEMIRSKZOO-YDZRNGNQSA-N 2 2 354.454 1.110 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)C1 ZINC001095266011 962724345 /nfs/dbraw/zinc/72/43/45/962724345.db2.gz ZJIAEEMIRSKZOO-YDZRNGNQSA-N 2 2 354.454 1.110 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)n1cc(C[NH3+])cnc1=N ZINC001183842994 963307909 /nfs/dbraw/zinc/30/79/09/963307909.db2.gz XSNJOTOIKDEJMN-KRWDZBQOSA-N 2 2 350.426 1.388 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)n1cc(C[NH3+])cnc1=N ZINC001183842994 963307921 /nfs/dbraw/zinc/30/79/21/963307921.db2.gz XSNJOTOIKDEJMN-KRWDZBQOSA-N 2 2 350.426 1.388 20 30 FDEDLP C#C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000773557231 963392184 /nfs/dbraw/zinc/39/21/84/963392184.db2.gz FFPYNGMUCMIIHO-ZWKOTPCHSA-N 2 2 362.518 1.417 20 30 FDEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001178721569 964359825 /nfs/dbraw/zinc/35/98/25/964359825.db2.gz FCOUNMFYMBKARU-HCXYKTFWSA-N 2 2 370.497 1.383 20 30 FDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC12CCOCC2 ZINC001186402768 964473913 /nfs/dbraw/zinc/47/39/13/964473913.db2.gz UFYOUTUBJWNNNS-GVDBMIGSSA-N 2 2 358.486 1.934 20 30 FDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC12CCOCC2 ZINC001186402768 964473918 /nfs/dbraw/zinc/47/39/18/964473918.db2.gz UFYOUTUBJWNNNS-GVDBMIGSSA-N 2 2 358.486 1.934 20 30 FDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC12CCOCC2 ZINC001186402767 964474606 /nfs/dbraw/zinc/47/46/06/964474606.db2.gz UFYOUTUBJWNNNS-BRWVUGGUSA-N 2 2 358.486 1.934 20 30 FDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC12CCOCC2 ZINC001186402767 964474611 /nfs/dbraw/zinc/47/46/11/964474611.db2.gz UFYOUTUBJWNNNS-BRWVUGGUSA-N 2 2 358.486 1.934 20 30 FDEDLP O=C(C#CC1CC[NH2+]CC1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000852882531 967687123 /nfs/dbraw/zinc/68/71/23/967687123.db2.gz KOXYWECORNRPGO-UHFFFAOYSA-N 2 2 370.497 1.136 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645036221 1014048138 /nfs/dbraw/zinc/04/81/38/1014048138.db2.gz RSZMYWSRPURJMC-JQHSSLGASA-N 2 2 350.507 1.387 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645036221 1014048143 /nfs/dbraw/zinc/04/81/43/1014048143.db2.gz RSZMYWSRPURJMC-JQHSSLGASA-N 2 2 350.507 1.387 20 30 FDEDLP C#C[C@@H]1CCC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000848494815 976841496 /nfs/dbraw/zinc/84/14/96/976841496.db2.gz SLLVENDADJBCJT-QRQLOZEOSA-N 2 2 351.450 1.406 20 30 FDEDLP C#C[C@@H]1CCC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000848494815 976841505 /nfs/dbraw/zinc/84/15/05/976841505.db2.gz SLLVENDADJBCJT-QRQLOZEOSA-N 2 2 351.450 1.406 20 30 FDEDLP C#C[C@@H]1CCC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000848494815 976841509 /nfs/dbraw/zinc/84/15/09/976841509.db2.gz SLLVENDADJBCJT-QRQLOZEOSA-N 2 2 351.450 1.406 20 30 FDEDLP C#C[C@@H]1CCC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000848494815 976841515 /nfs/dbraw/zinc/84/15/15/976841515.db2.gz SLLVENDADJBCJT-QRQLOZEOSA-N 2 2 351.450 1.406 20 30 FDEDLP CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000867963553 977147788 /nfs/dbraw/zinc/14/77/88/977147788.db2.gz XEZWZFSPICMMPX-RBUKOAKNSA-N 2 2 356.470 1.218 20 30 FDEDLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984367 977169127 /nfs/dbraw/zinc/16/91/27/977169127.db2.gz WCNYKAXWVLJUQV-ZTENYAIWSA-N 2 2 356.470 1.359 20 30 FDEDLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984367 977169131 /nfs/dbraw/zinc/16/91/31/977169131.db2.gz WCNYKAXWVLJUQV-ZTENYAIWSA-N 2 2 356.470 1.359 20 30 FDEDLP C#CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCOCC1 ZINC000887123170 996953637 /nfs/dbraw/zinc/95/36/37/996953637.db2.gz CEXIWGPQYYCRQH-UHFFFAOYSA-N 2 2 361.511 1.554 20 30 FDEDLP C[N@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000264068285 997394125 /nfs/dbraw/zinc/39/41/25/997394125.db2.gz CDFIYYQBKOGPTO-UHFFFAOYSA-N 2 2 353.474 1.045 20 30 FDEDLP C[N@@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000264068285 997394126 /nfs/dbraw/zinc/39/41/26/997394126.db2.gz CDFIYYQBKOGPTO-UHFFFAOYSA-N 2 2 353.474 1.045 20 30 FDEDLP COC[C@H](C)NC(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264111679 997404126 /nfs/dbraw/zinc/40/41/26/997404126.db2.gz QYMNWSVKKREIEY-SFHVURJKSA-N 2 2 361.534 1.524 20 30 FDEDLP COc1ccc(CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC000264147211 997414757 /nfs/dbraw/zinc/41/47/57/997414757.db2.gz YCSPKDUWWHBJLB-INIZCTEOSA-N 2 2 364.490 1.465 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000286698244 999946352 /nfs/dbraw/zinc/94/63/52/999946352.db2.gz PTHAKDAADXZLGF-NVXWUHKLSA-N 2 2 359.474 1.059 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000928653731 1001610511 /nfs/dbraw/zinc/61/05/11/1001610511.db2.gz YJNUFOFVWXTZHT-UHFFFAOYSA-N 3 2 360.546 1.397 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC000929770801 1002421228 /nfs/dbraw/zinc/42/12/28/1002421228.db2.gz YJLXSTQONSEWJE-CALCHBBNSA-N 2 2 358.486 1.982 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC000929770801 1002421236 /nfs/dbraw/zinc/42/12/36/1002421236.db2.gz YJLXSTQONSEWJE-CALCHBBNSA-N 2 2 358.486 1.982 20 30 FDEDLP C#CC1(O)CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000931147815 1003924135 /nfs/dbraw/zinc/92/41/35/1003924135.db2.gz KOPMBYOCUXPYMX-UHFFFAOYSA-N 2 2 373.522 1.634 20 30 FDEDLP C#CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000932464501 1004972408 /nfs/dbraw/zinc/97/24/08/1004972408.db2.gz CRYOBJCMQAJCAC-UHFFFAOYSA-N 2 2 357.498 1.869 20 30 FDEDLP C#CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000932464501 1004972410 /nfs/dbraw/zinc/97/24/10/1004972410.db2.gz CRYOBJCMQAJCAC-UHFFFAOYSA-N 2 2 357.498 1.869 20 30 FDEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCOCC1 ZINC000303771948 1009575190 /nfs/dbraw/zinc/57/51/90/1009575190.db2.gz DCBCJDAOKBCMJM-MRXNPFEDSA-N 2 2 362.474 1.931 20 30 FDEDLP CN(CC[N@H+](C)CC(=O)NCc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000539232326 540938051 /nfs/dbraw/zinc/93/80/51/540938051.db2.gz AWBSQZGICXBAHK-UHFFFAOYSA-N 2 2 357.502 1.132 20 30 FDEDLP CN(CC[N@@H+](C)CC(=O)NCc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000539232326 540938052 /nfs/dbraw/zinc/93/80/52/540938052.db2.gz AWBSQZGICXBAHK-UHFFFAOYSA-N 2 2 357.502 1.132 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NCc1cccc(C#N)c1 ZINC000539232326 540938055 /nfs/dbraw/zinc/93/80/55/540938055.db2.gz AWBSQZGICXBAHK-UHFFFAOYSA-N 2 2 357.502 1.132 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NCc1cccc(C#N)c1 ZINC000539232326 540938058 /nfs/dbraw/zinc/93/80/58/540938058.db2.gz AWBSQZGICXBAHK-UHFFFAOYSA-N 2 2 357.502 1.132 20 30 FDEDLP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000093147231 172312727 /nfs/dbraw/zinc/31/27/27/172312727.db2.gz KNVFTOBIBIRRLP-SFHVURJKSA-N 2 2 352.486 1.808 20 30 FDEDLP C[N@H+]1CCCC[C@H]1CN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000093147231 172312728 /nfs/dbraw/zinc/31/27/28/172312728.db2.gz KNVFTOBIBIRRLP-SFHVURJKSA-N 2 2 352.486 1.808 20 30 FDEDLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)S1 ZINC000177211037 174114120 /nfs/dbraw/zinc/11/41/20/174114120.db2.gz RMRDXTWLGVNKAY-CQSZACIVSA-N 2 2 357.483 1.996 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000181070388 174204698 /nfs/dbraw/zinc/20/46/98/174204698.db2.gz DYRQYRSSUDSLIE-UHFFFAOYSA-N 2 2 368.478 1.344 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000181070388 174204699 /nfs/dbraw/zinc/20/46/99/174204699.db2.gz DYRQYRSSUDSLIE-UHFFFAOYSA-N 2 2 368.478 1.344 20 30 FDEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000559259584 544616596 /nfs/dbraw/zinc/61/65/96/544616596.db2.gz LHJNUTWRSCTMBV-UHFFFAOYSA-N 2 2 370.501 1.064 20 30 FDEDLP C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368197157 260148885 /nfs/dbraw/zinc/14/88/85/260148885.db2.gz BHKJQUPOEXMRCO-INIZCTEOSA-N 2 2 355.486 1.597 20 30 FDEDLP C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368197157 260148887 /nfs/dbraw/zinc/14/88/87/260148887.db2.gz BHKJQUPOEXMRCO-INIZCTEOSA-N 2 2 355.486 1.597 20 30 FDEDLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000369153103 260304186 /nfs/dbraw/zinc/30/41/86/260304186.db2.gz BNYVACPHANDVKW-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CCN(c2ncccn2)CC1 ZINC000073447292 522529525 /nfs/dbraw/zinc/52/95/25/522529525.db2.gz OQLUGILJAMNUMD-UHFFFAOYSA-N 2 2 364.457 1.064 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccccc3C#N)CC2)CC1 ZINC000050803009 522943088 /nfs/dbraw/zinc/94/30/88/522943088.db2.gz MVCPWXXNNSTFNY-UHFFFAOYSA-N 2 2 356.470 1.612 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534339 523098804 /nfs/dbraw/zinc/09/88/04/523098804.db2.gz BWIHUIZUQHVPDP-LJQANCHMSA-N 2 2 371.529 1.497 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534339 523098815 /nfs/dbraw/zinc/09/88/15/523098815.db2.gz BWIHUIZUQHVPDP-LJQANCHMSA-N 2 2 371.529 1.497 20 30 FDEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)NCc1ccc2c(c1)OCO2 ZINC000079317390 523736952 /nfs/dbraw/zinc/73/69/52/523736952.db2.gz XCEGHELGIVJRIX-UHFFFAOYSA-N 2 2 351.410 1.971 20 30 FDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000157902055 524363189 /nfs/dbraw/zinc/36/31/89/524363189.db2.gz RHEJKFAQYLKCGL-UHFFFAOYSA-N 2 2 374.485 1.432 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174883545 524776870 /nfs/dbraw/zinc/77/68/70/524776870.db2.gz CVSDWIKBUFOWLL-PXNSSMCTSA-N 2 2 369.513 1.987 20 30 FDEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000114456188 524804125 /nfs/dbraw/zinc/80/41/25/524804125.db2.gz IHALPLAVSTVSMU-UHFFFAOYSA-N 2 2 369.513 1.669 20 30 FDEDLP CS(=O)(=O)CCCO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000103136210 525329462 /nfs/dbraw/zinc/32/94/62/525329462.db2.gz ZDNYMLOBNCVJFH-UHFFFAOYSA-N 2 2 353.488 1.744 20 30 FDEDLP C=CCC[C@H](CC)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127178823 525391939 /nfs/dbraw/zinc/39/19/39/525391939.db2.gz LMMXXWGUFKCXCE-KRWDZBQOSA-N 2 2 366.531 1.868 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154545389 525567719 /nfs/dbraw/zinc/56/77/19/525567719.db2.gz FZFDTOYDNCQPDD-GBESFXJTSA-N 2 2 363.550 1.485 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154545389 525567727 /nfs/dbraw/zinc/56/77/27/525567727.db2.gz FZFDTOYDNCQPDD-GBESFXJTSA-N 2 2 363.550 1.485 20 30 FDEDLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCC(=O)N1CCCC1 ZINC000108351898 525958533 /nfs/dbraw/zinc/95/85/33/525958533.db2.gz WJYIPGFPIQTFBA-UHFFFAOYSA-N 2 2 373.501 1.106 20 30 FDEDLP NC(CC[NH+]1CCN(Cc2ccccc2)CC1)=[NH+]OCC(=O)N1CCCC1 ZINC000108351898 525958548 /nfs/dbraw/zinc/95/85/48/525958548.db2.gz WJYIPGFPIQTFBA-UHFFFAOYSA-N 2 2 373.501 1.106 20 30 FDEDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000181978723 526007124 /nfs/dbraw/zinc/00/71/24/526007124.db2.gz MPEJMFFLYFBFRQ-AEFFLSMTSA-N 2 2 372.469 1.173 20 30 FDEDLP C[NH+]=C(NCCN1CCOCC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264969174 537150643 /nfs/dbraw/zinc/15/06/43/537150643.db2.gz DQTMNGKKPCUVHZ-UHFFFAOYSA-N 2 2 360.437 1.009 20 30 FDEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534064 537237868 /nfs/dbraw/zinc/23/78/68/537237868.db2.gz BXLORIBWXGGFND-SFTDATJTSA-N 2 2 370.497 1.364 20 30 FDEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534064 537237869 /nfs/dbraw/zinc/23/78/69/537237869.db2.gz BXLORIBWXGGFND-SFTDATJTSA-N 2 2 370.497 1.364 20 30 FDEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249534064 537237871 /nfs/dbraw/zinc/23/78/71/537237871.db2.gz BXLORIBWXGGFND-SFTDATJTSA-N 2 2 370.497 1.364 20 30 FDEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249534064 537237873 /nfs/dbraw/zinc/23/78/73/537237873.db2.gz BXLORIBWXGGFND-SFTDATJTSA-N 2 2 370.497 1.364 20 30 FDEDLP C#CCn1ccc(CN(CC)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000279923457 537359968 /nfs/dbraw/zinc/35/99/68/537359968.db2.gz GDXUWWXAXPQLJV-UHFFFAOYSA-N 2 2 360.506 1.074 20 30 FDEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330513681 537657559 /nfs/dbraw/zinc/65/75/59/537657559.db2.gz CXUKILDEQLCWDY-IKGGRYGDSA-N 2 2 367.538 1.019 20 30 FDEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330513681 537657561 /nfs/dbraw/zinc/65/75/61/537657561.db2.gz CXUKILDEQLCWDY-IKGGRYGDSA-N 2 2 367.538 1.019 20 30 FDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000564863618 547071875 /nfs/dbraw/zinc/07/18/75/547071875.db2.gz MKNMVSLUAJLFTJ-LJQANCHMSA-N 2 2 362.543 1.896 20 30 FDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000564863618 547071876 /nfs/dbraw/zinc/07/18/76/547071876.db2.gz MKNMVSLUAJLFTJ-LJQANCHMSA-N 2 2 362.543 1.896 20 30 FDEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000572405512 549907449 /nfs/dbraw/zinc/90/74/49/549907449.db2.gz UGTJICDOQRKCKB-CALCHBBNSA-N 2 2 367.501 1.591 20 30 FDEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000572405512 549907450 /nfs/dbraw/zinc/90/74/50/549907450.db2.gz UGTJICDOQRKCKB-CALCHBBNSA-N 2 2 367.501 1.591 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC000574788516 550371045 /nfs/dbraw/zinc/37/10/45/550371045.db2.gz FVFORSLVEZSSQN-QGZVFWFLSA-N 2 2 358.486 1.559 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC000574788516 550371047 /nfs/dbraw/zinc/37/10/47/550371047.db2.gz FVFORSLVEZSSQN-QGZVFWFLSA-N 2 2 358.486 1.559 20 30 FDEDLP C(#CC[N@@H+]1CCO[C@@]2(CCSC2)C1)C[NH+]1CCO[C@@]2(CCSC2)C1 ZINC000580831178 551023340 /nfs/dbraw/zinc/02/33/40/551023340.db2.gz GPVMKCWTWOUUID-ROUUACIJSA-N 2 2 368.568 1.406 20 30 FDEDLP C(#CC[N@H+]1CCO[C@@]2(CCSC2)C1)C[NH+]1CCO[C@@]2(CCSC2)C1 ZINC000580831178 551023341 /nfs/dbraw/zinc/02/33/41/551023341.db2.gz GPVMKCWTWOUUID-ROUUACIJSA-N 2 2 368.568 1.406 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000582139440 551181772 /nfs/dbraw/zinc/18/17/72/551181772.db2.gz KMJMHOPTXNYELA-GOSISDBHSA-N 2 2 372.469 1.218 20 30 FDEDLP Cc1cccn2cc(CC[NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)[nH+]c12 ZINC000591748311 551905524 /nfs/dbraw/zinc/90/55/24/551905524.db2.gz LDMFUCKTHMPYJJ-UHFFFAOYSA-N 2 2 369.450 1.515 20 30 FDEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccncc3C#N)CC2)CC1 ZINC000592070297 551935788 /nfs/dbraw/zinc/93/57/88/551935788.db2.gz JLPFLPUKPCXPKH-UHFFFAOYSA-N 2 2 355.486 1.719 20 30 FDEDLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594441255 552311105 /nfs/dbraw/zinc/31/11/05/552311105.db2.gz PWDNHKHUNIIZDN-QGZVFWFLSA-N 2 2 357.458 1.424 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000594822282 552398982 /nfs/dbraw/zinc/39/89/82/552398982.db2.gz VILQMUZJOQCHHJ-UHFFFAOYSA-N 2 2 366.531 1.650 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000594822282 552398984 /nfs/dbraw/zinc/39/89/84/552398984.db2.gz VILQMUZJOQCHHJ-UHFFFAOYSA-N 2 2 366.531 1.650 20 30 FDEDLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595948518 552637291 /nfs/dbraw/zinc/63/72/91/552637291.db2.gz MCSYLUYYVLIMKK-RBUKOAKNSA-N 2 2 357.502 1.330 20 30 FDEDLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595948518 552637292 /nfs/dbraw/zinc/63/72/92/552637292.db2.gz MCSYLUYYVLIMKK-RBUKOAKNSA-N 2 2 357.502 1.330 20 30 FDEDLP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000596284802 552670998 /nfs/dbraw/zinc/67/09/98/552670998.db2.gz FJXUEWBCHLZRNH-IBGZPJMESA-N 2 2 358.486 1.815 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000601307713 553372854 /nfs/dbraw/zinc/37/28/54/553372854.db2.gz FUUIFOIXVYFNIJ-UHFFFAOYSA-N 2 2 364.515 1.346 20 30 FDEDLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000602033210 553505042 /nfs/dbraw/zinc/50/50/42/553505042.db2.gz NFPHKRXFOVROQO-UHFFFAOYSA-N 2 2 370.497 1.561 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000602509348 553595766 /nfs/dbraw/zinc/59/57/66/553595766.db2.gz GHLSZXWPIPCIKB-GOSISDBHSA-N 2 2 372.517 1.677 20 30 FDEDLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000602595491 553609370 /nfs/dbraw/zinc/60/93/70/553609370.db2.gz BFJYATAZDPMBKQ-IBGZPJMESA-N 2 2 370.497 1.879 20 30 FDEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000602876174 553657149 /nfs/dbraw/zinc/65/71/49/553657149.db2.gz FQGNSNCGVCAUQX-ICSRJNTNSA-N 2 2 356.470 1.442 20 30 FDEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000602876174 553657150 /nfs/dbraw/zinc/65/71/50/553657150.db2.gz FQGNSNCGVCAUQX-ICSRJNTNSA-N 2 2 356.470 1.442 20 30 FDEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609157112 554344505 /nfs/dbraw/zinc/34/45/05/554344505.db2.gz UUBDURLTUQTZAY-SFHVURJKSA-N 2 2 369.469 1.301 20 30 FDEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609157112 554344509 /nfs/dbraw/zinc/34/45/09/554344509.db2.gz UUBDURLTUQTZAY-SFHVURJKSA-N 2 2 369.469 1.301 20 30 FDEDLP C=CCOc1c(Cl)cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000623381532 556411253 /nfs/dbraw/zinc/41/12/53/556411253.db2.gz YNSUDYAQEYUBGT-UHFFFAOYSA-N 2 2 367.877 1.777 20 30 FDEDLP CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000130860758 671798267 /nfs/dbraw/zinc/79/82/67/671798267.db2.gz DVLRPRFXWZUUQP-HZPDHXFCSA-N 2 2 366.531 1.628 20 30 FDEDLP CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000130860758 671798270 /nfs/dbraw/zinc/79/82/70/671798270.db2.gz DVLRPRFXWZUUQP-HZPDHXFCSA-N 2 2 366.531 1.628 20 30 FDEDLP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261942069 672698417 /nfs/dbraw/zinc/69/84/17/672698417.db2.gz DSLSCYONSQBPBN-CVEARBPZSA-N 2 2 372.579 1.724 20 30 FDEDLP CC[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261942069 672698420 /nfs/dbraw/zinc/69/84/20/672698420.db2.gz DSLSCYONSQBPBN-CVEARBPZSA-N 2 2 372.579 1.724 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261944418 672698580 /nfs/dbraw/zinc/69/85/80/672698580.db2.gz FKBXJXPMXJLUJQ-CABCVRRESA-N 2 2 358.552 1.334 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261944418 672698583 /nfs/dbraw/zinc/69/85/83/672698583.db2.gz FKBXJXPMXJLUJQ-CABCVRRESA-N 2 2 358.552 1.334 20 30 FDEDLP CC[NH+]=C(NC[C@H]1CCCC[N@@H+]1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988205 672707406 /nfs/dbraw/zinc/70/74/06/672707406.db2.gz QRWIDJWEUHWUCE-OAHLLOKOSA-N 2 2 358.552 1.335 20 30 FDEDLP CC[NH+]=C(NC[C@H]1CCCC[N@H+]1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988205 672707410 /nfs/dbraw/zinc/70/74/10/672707410.db2.gz QRWIDJWEUHWUCE-OAHLLOKOSA-N 2 2 358.552 1.335 20 30 FDEDLP CC[NH+]=C(NCC[N@@H+]1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262019953 672713055 /nfs/dbraw/zinc/71/30/55/672713055.db2.gz YNYKDGXLIQZQFO-OAHLLOKOSA-N 2 2 358.552 1.335 20 30 FDEDLP CC[NH+]=C(NCC[N@H+]1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262019953 672713059 /nfs/dbraw/zinc/71/30/59/672713059.db2.gz YNYKDGXLIQZQFO-OAHLLOKOSA-N 2 2 358.552 1.335 20 30 FDEDLP Cc1sc(NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)c(C#N)c1C ZINC000289499883 676145762 /nfs/dbraw/zinc/14/57/62/676145762.db2.gz UBASYRDIYGXPBX-UHFFFAOYSA-N 2 2 365.547 1.990 20 30 FDEDLP Cc1sc(NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)c(C#N)c1C ZINC000289499883 676145764 /nfs/dbraw/zinc/14/57/64/676145764.db2.gz UBASYRDIYGXPBX-UHFFFAOYSA-N 2 2 365.547 1.990 20 30 FDEDLP CC(C)(CNC(=O)C[N@@H+]1CCCC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000329540672 676643198 /nfs/dbraw/zinc/64/31/98/676643198.db2.gz CZZGGWLVMFPUOV-UHFFFAOYSA-N 2 2 353.507 1.946 20 30 FDEDLP CC(C)(CNC(=O)C[N@H+]1CCCC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000329540672 676643199 /nfs/dbraw/zinc/64/31/99/676643199.db2.gz CZZGGWLVMFPUOV-UHFFFAOYSA-N 2 2 353.507 1.946 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001104306095 774439439 /nfs/dbraw/zinc/43/94/39/774439439.db2.gz KNDOXDANBSSHNC-SUMDDJOVSA-N 2 2 358.486 1.655 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001104306095 774439442 /nfs/dbraw/zinc/43/94/42/774439442.db2.gz KNDOXDANBSSHNC-SUMDDJOVSA-N 2 2 358.486 1.655 20 30 FDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001104902397 794310396 /nfs/dbraw/zinc/31/03/96/794310396.db2.gz RQTDWTJZVZBOAM-IAGOWNOFSA-N 2 2 351.454 1.978 20 30 FDEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001026532589 795512315 /nfs/dbraw/zinc/51/23/15/795512315.db2.gz OLIULGRBDHSBKB-GMNCBBECSA-N 2 2 365.518 1.459 20 30 FDEDLP Cn1cccc1C(O)=CONC(=[NH2+])c1cccc(C[NH+]2CCOCC2)c1 ZINC000195478269 796211945 /nfs/dbraw/zinc/21/19/45/796211945.db2.gz MEAGBSZTZZFHPJ-UHFFFAOYSA-N 2 2 356.426 1.377 20 30 FDEDLP C=CC[C@@]1(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)CCC[NH2+]1 ZINC000662672550 806944023 /nfs/dbraw/zinc/94/40/23/806944023.db2.gz CJQAWWLYJPEQLA-IBGZPJMESA-N 2 2 350.507 1.087 20 30 FDEDLP C=CC[C@@]1(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)CCC[NH2+]1 ZINC000662672550 806944025 /nfs/dbraw/zinc/94/40/25/806944025.db2.gz CJQAWWLYJPEQLA-IBGZPJMESA-N 2 2 350.507 1.087 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CC#Cc3ccccc3)CC2)O1 ZINC000981435439 808038868 /nfs/dbraw/zinc/03/88/68/808038868.db2.gz IWLDVUUFCCOJFE-UYAOXDASSA-N 2 2 355.482 1.292 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CC#Cc3ccccc3)CC2)O1 ZINC000981435439 808038878 /nfs/dbraw/zinc/03/88/78/808038878.db2.gz IWLDVUUFCCOJFE-UYAOXDASSA-N 2 2 355.482 1.292 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)O1 ZINC000981435439 808038886 /nfs/dbraw/zinc/03/88/86/808038886.db2.gz IWLDVUUFCCOJFE-UYAOXDASSA-N 2 2 355.482 1.292 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)O1 ZINC000981435439 808038894 /nfs/dbraw/zinc/03/88/94/808038894.db2.gz IWLDVUUFCCOJFE-UYAOXDASSA-N 2 2 355.482 1.292 20 30 FDEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001087443774 809793598 /nfs/dbraw/zinc/79/35/98/809793598.db2.gz FBTXSBVAADSTGE-NJDAHSKKSA-N 2 2 369.509 1.705 20 30 FDEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001087443774 809793601 /nfs/dbraw/zinc/79/36/01/809793601.db2.gz FBTXSBVAADSTGE-NJDAHSKKSA-N 2 2 369.509 1.705 20 30 FDEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001087443774 809793606 /nfs/dbraw/zinc/79/36/06/809793606.db2.gz FBTXSBVAADSTGE-NJDAHSKKSA-N 2 2 369.509 1.705 20 30 FDEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001087443774 809793610 /nfs/dbraw/zinc/79/36/10/809793610.db2.gz FBTXSBVAADSTGE-NJDAHSKKSA-N 2 2 369.509 1.705 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001087463084 810883521 /nfs/dbraw/zinc/88/35/21/810883521.db2.gz PWOVRMYJBFXYQX-QRVBRYPASA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001087463084 810883531 /nfs/dbraw/zinc/88/35/31/810883531.db2.gz PWOVRMYJBFXYQX-QRVBRYPASA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087463084 810883538 /nfs/dbraw/zinc/88/35/38/810883538.db2.gz PWOVRMYJBFXYQX-QRVBRYPASA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087463084 810883548 /nfs/dbraw/zinc/88/35/48/810883548.db2.gz PWOVRMYJBFXYQX-QRVBRYPASA-N 2 2 361.461 1.616 20 30 FDEDLP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1C ZINC000261955845 811352165 /nfs/dbraw/zinc/35/21/65/811352165.db2.gz ISAJHVLCKKFTLK-CZUORRHYSA-N 2 2 356.478 1.511 20 30 FDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216444 816708791 /nfs/dbraw/zinc/70/87/91/816708791.db2.gz HIFUXLLBOKEMEA-KXBFYZLASA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216444 816708799 /nfs/dbraw/zinc/70/87/99/816708799.db2.gz HIFUXLLBOKEMEA-KXBFYZLASA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216444 816708803 /nfs/dbraw/zinc/70/88/03/816708803.db2.gz HIFUXLLBOKEMEA-KXBFYZLASA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216444 816708810 /nfs/dbraw/zinc/70/88/10/816708810.db2.gz HIFUXLLBOKEMEA-KXBFYZLASA-N 2 2 356.474 1.666 20 30 FDEDLP CC[NH+]=C(NCC1(CO)CCOCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261945151 817150316 /nfs/dbraw/zinc/15/03/16/817150316.db2.gz FRVOKJKUUZOQCW-IRXDYDNUSA-N 2 2 363.506 1.521 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087836684 822546520 /nfs/dbraw/zinc/54/65/20/822546520.db2.gz DKTZGIOCNUNARJ-HBMCJLEFSA-N 2 2 369.509 1.728 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087836684 822546521 /nfs/dbraw/zinc/54/65/21/822546521.db2.gz DKTZGIOCNUNARJ-HBMCJLEFSA-N 2 2 369.509 1.728 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1CC#Cc1ccccc1 ZINC001087836684 822546522 /nfs/dbraw/zinc/54/65/22/822546522.db2.gz DKTZGIOCNUNARJ-HBMCJLEFSA-N 2 2 369.509 1.728 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1CC#Cc1ccccc1 ZINC001087836684 822546523 /nfs/dbraw/zinc/54/65/23/822546523.db2.gz DKTZGIOCNUNARJ-HBMCJLEFSA-N 2 2 369.509 1.728 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)n3)[C@@H]2CC)CC1 ZINC001087840295 822559132 /nfs/dbraw/zinc/55/91/32/822559132.db2.gz QCHCDCVYIFWAEL-RBUKOAKNSA-N 2 2 357.502 1.234 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)n3)[C@@H]2CC)CC1 ZINC001087840295 822559136 /nfs/dbraw/zinc/55/91/36/822559136.db2.gz QCHCDCVYIFWAEL-RBUKOAKNSA-N 2 2 357.502 1.234 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)[C@@H]2CC)CC1 ZINC001087840412 822559781 /nfs/dbraw/zinc/55/97/81/822559781.db2.gz WORPBAAYQCUBEE-ZWKOTPCHSA-N 2 2 355.486 1.291 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)[C@@H]2CC)CC1 ZINC001087840412 822559782 /nfs/dbraw/zinc/55/97/82/822559782.db2.gz WORPBAAYQCUBEE-ZWKOTPCHSA-N 2 2 355.486 1.291 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC001075943550 841034098 /nfs/dbraw/zinc/03/40/98/841034098.db2.gz WIFYRNBYLBOJCJ-LTCOOKNTSA-N 2 2 374.510 1.372 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC001075943550 841034108 /nfs/dbraw/zinc/03/41/08/841034108.db2.gz WIFYRNBYLBOJCJ-LTCOOKNTSA-N 2 2 374.510 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC001075943550 841034114 /nfs/dbraw/zinc/03/41/14/841034114.db2.gz WIFYRNBYLBOJCJ-LTCOOKNTSA-N 2 2 374.510 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC001075943550 841034124 /nfs/dbraw/zinc/03/41/24/841034124.db2.gz WIFYRNBYLBOJCJ-LTCOOKNTSA-N 2 2 374.510 1.372 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CCC)cc2)C[C@@H]1O ZINC001083535925 846924377 /nfs/dbraw/zinc/92/43/77/846924377.db2.gz UPDWUJCNNRBZEG-HKBOAZHASA-N 2 2 369.509 1.398 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CCC)cc2)C[C@@H]1O ZINC001083535925 846924383 /nfs/dbraw/zinc/92/43/83/846924383.db2.gz UPDWUJCNNRBZEG-HKBOAZHASA-N 2 2 369.509 1.398 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CCC)cc2)C[C@@H]1O ZINC001083535925 846924385 /nfs/dbraw/zinc/92/43/85/846924385.db2.gz UPDWUJCNNRBZEG-HKBOAZHASA-N 2 2 369.509 1.398 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CCC)cc2)C[C@@H]1O ZINC001083535925 846924389 /nfs/dbraw/zinc/92/43/89/846924389.db2.gz UPDWUJCNNRBZEG-HKBOAZHASA-N 2 2 369.509 1.398 20 30 FDEDLP C=C(C)C[C@H](NC(C)=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000669253112 862684649 /nfs/dbraw/zinc/68/46/49/862684649.db2.gz VMCVRBNIZDPIHY-SFHVURJKSA-N 2 2 364.534 1.524 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001089053062 866327428 /nfs/dbraw/zinc/32/74/28/866327428.db2.gz JBSDUXPHFAGVFL-COXVUDFISA-N 2 2 362.499 1.419 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001089053062 866327449 /nfs/dbraw/zinc/32/74/49/866327449.db2.gz JBSDUXPHFAGVFL-COXVUDFISA-N 2 2 362.499 1.419 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001089053062 866327470 /nfs/dbraw/zinc/32/74/70/866327470.db2.gz JBSDUXPHFAGVFL-COXVUDFISA-N 2 2 362.499 1.419 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001089053062 866327490 /nfs/dbraw/zinc/32/74/90/866327490.db2.gz JBSDUXPHFAGVFL-COXVUDFISA-N 2 2 362.499 1.419 20 30 FDEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034325195 884195534 /nfs/dbraw/zinc/19/55/34/884195534.db2.gz ZEFKUIAMVOQLDY-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054884 885587874 /nfs/dbraw/zinc/58/78/74/885587874.db2.gz OENKIZKVUKGOMM-SQNIBIBYSA-N 2 2 371.489 1.680 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054884 885587888 /nfs/dbraw/zinc/58/78/88/885587888.db2.gz OENKIZKVUKGOMM-SQNIBIBYSA-N 2 2 371.489 1.680 20 30 FDEDLP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922971 892599565 /nfs/dbraw/zinc/59/95/65/892599565.db2.gz VOKYCDXSPACJBV-ZWNOBZJWSA-N 2 2 355.280 1.853 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129312628 901274866 /nfs/dbraw/zinc/27/48/66/901274866.db2.gz JLRRBVGFYSCWBZ-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129312628 901274876 /nfs/dbraw/zinc/27/48/76/901274876.db2.gz JLRRBVGFYSCWBZ-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129312628 901274888 /nfs/dbraw/zinc/27/48/88/901274888.db2.gz JLRRBVGFYSCWBZ-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129312628 901274899 /nfs/dbraw/zinc/27/48/99/901274899.db2.gz JLRRBVGFYSCWBZ-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079134750 901998984 /nfs/dbraw/zinc/99/89/84/901998984.db2.gz PLOHZBZZHIOWEH-NJDAHSKKSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079134750 901998990 /nfs/dbraw/zinc/99/89/90/901998990.db2.gz PLOHZBZZHIOWEH-NJDAHSKKSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079134750 901998994 /nfs/dbraw/zinc/99/89/94/901998994.db2.gz PLOHZBZZHIOWEH-NJDAHSKKSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079134750 901998999 /nfs/dbraw/zinc/99/89/99/901998999.db2.gz PLOHZBZZHIOWEH-NJDAHSKKSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1cccc(F)c1 ZINC001079189431 902141394 /nfs/dbraw/zinc/14/13/94/902141394.db2.gz OXLPXSCHVWUPOE-PKOBYXMFSA-N 2 2 370.428 1.706 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263866 902307349 /nfs/dbraw/zinc/30/73/49/902307349.db2.gz PDZAEKWIVSHOOL-CEXWTWQISA-N 2 2 370.497 1.797 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)O1 ZINC000995960387 902794358 /nfs/dbraw/zinc/79/43/58/902794358.db2.gz TUBQOICZXGNNOI-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)O1 ZINC000995960387 902794370 /nfs/dbraw/zinc/79/43/70/902794370.db2.gz TUBQOICZXGNNOI-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081659277 904896155 /nfs/dbraw/zinc/89/61/55/904896155.db2.gz USNPPLBFBXPASA-VAMGGRTRSA-N 2 2 370.497 1.746 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081659277 904896158 /nfs/dbraw/zinc/89/61/58/904896158.db2.gz USNPPLBFBXPASA-VAMGGRTRSA-N 2 2 370.497 1.746 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001081659277 904896161 /nfs/dbraw/zinc/89/61/61/904896161.db2.gz USNPPLBFBXPASA-VAMGGRTRSA-N 2 2 370.497 1.746 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001081659277 904896175 /nfs/dbraw/zinc/89/61/75/904896175.db2.gz USNPPLBFBXPASA-VAMGGRTRSA-N 2 2 370.497 1.746 20 30 FDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCn2cnc3ccccc3c2=O)cc1 ZINC000764938160 906017835 /nfs/dbraw/zinc/01/78/35/906017835.db2.gz ZPGSHPNFCUFCCY-UHFFFAOYSA-N 2 2 365.437 1.795 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371330 907236507 /nfs/dbraw/zinc/23/65/07/907236507.db2.gz CTZCEEYFLQWISQ-QZTJIDSGSA-N 2 2 353.426 1.079 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371330 907236527 /nfs/dbraw/zinc/23/65/27/907236527.db2.gz CTZCEEYFLQWISQ-QZTJIDSGSA-N 2 2 353.426 1.079 20 30 FDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001107951880 908367137 /nfs/dbraw/zinc/36/71/37/908367137.db2.gz VTEIECNMMZTKNK-HBFSDRIKSA-N 2 2 365.518 1.126 20 30 FDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001107951880 908367149 /nfs/dbraw/zinc/36/71/49/908367149.db2.gz VTEIECNMMZTKNK-HBFSDRIKSA-N 2 2 365.518 1.126 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](Cc3cccc(C#N)c3)CCO2)CC[N@@H+]1C ZINC001107954200 908481615 /nfs/dbraw/zinc/48/16/15/908481615.db2.gz KADZTPKSLTVGFU-BSIFCXSSSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](Cc3cccc(C#N)c3)CCO2)CC[N@H+]1C ZINC001107954200 908481626 /nfs/dbraw/zinc/48/16/26/908481626.db2.gz KADZTPKSLTVGFU-BSIFCXSSSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@H+](Cc3cccc(C#N)c3)CCO2)CC[NH+]1C ZINC001107954200 908481640 /nfs/dbraw/zinc/48/16/40/908481640.db2.gz KADZTPKSLTVGFU-BSIFCXSSSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@@H+](Cc3cccc(C#N)c3)CCO2)CC[NH+]1C ZINC001107954200 908481643 /nfs/dbraw/zinc/48/16/43/908481643.db2.gz KADZTPKSLTVGFU-BSIFCXSSSA-N 2 2 370.497 1.606 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601359 908968947 /nfs/dbraw/zinc/96/89/47/908968947.db2.gz XXPRFVWBQKCNKA-UXIGCNINSA-N 2 2 367.291 1.791 20 30 FDEDLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001084629032 915748883 /nfs/dbraw/zinc/74/88/83/915748883.db2.gz AQCIARUDHNHCTQ-WOJBJXKFSA-N 2 2 352.482 1.933 20 30 FDEDLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001084629032 915748888 /nfs/dbraw/zinc/74/88/88/915748888.db2.gz AQCIARUDHNHCTQ-WOJBJXKFSA-N 2 2 352.482 1.933 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001084805716 917234377 /nfs/dbraw/zinc/23/43/77/917234377.db2.gz BLOREBNRXBRIRM-UYAOXDASSA-N 2 2 363.465 1.957 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001084805716 917234391 /nfs/dbraw/zinc/23/43/91/917234391.db2.gz BLOREBNRXBRIRM-UYAOXDASSA-N 2 2 363.465 1.957 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3oc(C)nc3C)[C@H]2C1 ZINC001084961038 918906803 /nfs/dbraw/zinc/90/68/03/918906803.db2.gz HKQDZAUAZDODAP-QYZOEREBSA-N 2 2 370.497 1.812 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3oc(C)nc3C)[C@H]2C1 ZINC001084961038 918906809 /nfs/dbraw/zinc/90/68/09/918906809.db2.gz HKQDZAUAZDODAP-QYZOEREBSA-N 2 2 370.497 1.812 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3oc(C)nc3C)[C@H]2C1 ZINC001084961038 918906815 /nfs/dbraw/zinc/90/68/15/918906815.db2.gz HKQDZAUAZDODAP-QYZOEREBSA-N 2 2 370.497 1.812 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3oc(C)nc3C)[C@H]2C1 ZINC001084961038 918906817 /nfs/dbraw/zinc/90/68/17/918906817.db2.gz HKQDZAUAZDODAP-QYZOEREBSA-N 2 2 370.497 1.812 20 30 FDEDLP N#Cc1c(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2c1CCCCCC2 ZINC001169072948 928262423 /nfs/dbraw/zinc/26/24/23/928262423.db2.gz VIJULZAXYVXLHE-CYBMUJFWSA-N 2 2 350.426 1.532 20 30 FDEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001113134036 933211391 /nfs/dbraw/zinc/21/13/91/933211391.db2.gz OOKITPAHCAHWAI-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902503 938561302 /nfs/dbraw/zinc/56/13/02/938561302.db2.gz PBJVLILCDLRJDW-IKGGRYGDSA-N 2 2 357.462 1.290 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130721694 940025695 /nfs/dbraw/zinc/02/56/95/940025695.db2.gz PAXUTRCOLOXCFG-FUHWJXTLSA-N 2 2 356.474 1.247 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038412 940466414 /nfs/dbraw/zinc/46/64/14/940466414.db2.gz QJZKGWSVVVEMCM-IAGOWNOFSA-N 2 2 356.474 1.557 20 30 FDEDLP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)C(C)C ZINC001131091835 940495874 /nfs/dbraw/zinc/49/58/74/940495874.db2.gz RWLSHUYPTXSDFD-NUJGCVRESA-N 2 2 360.506 1.194 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131106118 940501849 /nfs/dbraw/zinc/50/18/49/940501849.db2.gz QCSMRYCOVRECFB-HZPDHXFCSA-N 2 2 370.501 1.971 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131130646 940511357 /nfs/dbraw/zinc/51/13/57/940511357.db2.gz XCGHEMIQHSMLJC-BRWVUGGUSA-N 2 2 356.474 1.556 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001131522335 940705389 /nfs/dbraw/zinc/70/53/89/940705389.db2.gz CPVGNAKJIRSJGZ-GGPKGHCWSA-N 2 2 370.497 1.455 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000856328562 971068664 /nfs/dbraw/zinc/06/86/64/971068664.db2.gz VXDDMPZLZUDZAQ-PMACEKPBSA-N 2 2 354.498 1.016 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000856328562 971068677 /nfs/dbraw/zinc/06/86/77/971068677.db2.gz VXDDMPZLZUDZAQ-PMACEKPBSA-N 2 2 354.498 1.016 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000856328562 971068684 /nfs/dbraw/zinc/06/86/84/971068684.db2.gz VXDDMPZLZUDZAQ-PMACEKPBSA-N 2 2 354.498 1.016 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000856328562 971068694 /nfs/dbraw/zinc/06/86/94/971068694.db2.gz VXDDMPZLZUDZAQ-PMACEKPBSA-N 2 2 354.498 1.016 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000846444346 951122638 /nfs/dbraw/zinc/12/26/38/951122638.db2.gz UQSZLKCLMZYSTL-HBMCJLEFSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000846444346 951122644 /nfs/dbraw/zinc/12/26/44/951122644.db2.gz UQSZLKCLMZYSTL-HBMCJLEFSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000846444346 951122647 /nfs/dbraw/zinc/12/26/47/951122647.db2.gz UQSZLKCLMZYSTL-HBMCJLEFSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000846444346 951122655 /nfs/dbraw/zinc/12/26/55/951122655.db2.gz UQSZLKCLMZYSTL-HBMCJLEFSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@@]2(C)C1 ZINC001091748677 952794751 /nfs/dbraw/zinc/79/47/51/952794751.db2.gz UJCXMTHKNJXHIH-MMOPVJDHSA-N 2 2 370.497 1.615 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ncc(CC)o3)C[C@@]2(C)C1 ZINC001091748677 952794753 /nfs/dbraw/zinc/79/47/53/952794753.db2.gz UJCXMTHKNJXHIH-MMOPVJDHSA-N 2 2 370.497 1.615 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncc(CC)o3)C[C@@]2(C)C1 ZINC001091748677 952794756 /nfs/dbraw/zinc/79/47/56/952794756.db2.gz UJCXMTHKNJXHIH-MMOPVJDHSA-N 2 2 370.497 1.615 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncc(CC)o3)C[C@@]2(C)C1 ZINC001091748677 952794758 /nfs/dbraw/zinc/79/47/58/952794758.db2.gz UJCXMTHKNJXHIH-MMOPVJDHSA-N 2 2 370.497 1.615 20 30 FDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946748 953811491 /nfs/dbraw/zinc/81/14/91/953811491.db2.gz KLPHTMQABKLKPE-LMNJBCLMSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946748 953811498 /nfs/dbraw/zinc/81/14/98/953811498.db2.gz KLPHTMQABKLKPE-LMNJBCLMSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946748 953811513 /nfs/dbraw/zinc/81/15/13/953811513.db2.gz KLPHTMQABKLKPE-LMNJBCLMSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946748 953811522 /nfs/dbraw/zinc/81/15/22/953811522.db2.gz KLPHTMQABKLKPE-LMNJBCLMSA-N 2 2 359.514 1.433 20 30 FDEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171879240 961356884 /nfs/dbraw/zinc/35/68/84/961356884.db2.gz RNTVLLUVQIUCGT-QRVBRYPASA-N 2 2 367.534 1.707 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000774732801 963498963 /nfs/dbraw/zinc/49/89/63/963498963.db2.gz ZISDKKLWBNKDQV-IBGZPJMESA-N 2 2 358.486 1.730 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000774732801 963498970 /nfs/dbraw/zinc/49/89/70/963498970.db2.gz ZISDKKLWBNKDQV-IBGZPJMESA-N 2 2 358.486 1.730 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001186203147 964349945 /nfs/dbraw/zinc/34/99/45/964349945.db2.gz DJNNITUWJMWUSH-YLJYHZDGSA-N 2 2 368.456 1.957 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001186203147 964349952 /nfs/dbraw/zinc/34/99/52/964349952.db2.gz DJNNITUWJMWUSH-YLJYHZDGSA-N 2 2 368.456 1.957 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001186203995 964351752 /nfs/dbraw/zinc/35/17/52/964351752.db2.gz XGNQMDQYUSYEAW-IEBWSBKVSA-N 2 2 354.429 1.877 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001186203995 964351763 /nfs/dbraw/zinc/35/17/63/964351763.db2.gz XGNQMDQYUSYEAW-IEBWSBKVSA-N 2 2 354.429 1.877 20 30 FDEDLP CC[NH+](CC)Cc1nc(C2(NC(=O)C#CC3CC[NH2+]CC3)CCCC2)no1 ZINC000852863509 967668451 /nfs/dbraw/zinc/66/84/51/967668451.db2.gz WCKYULYGJIKQCK-UHFFFAOYSA-N 2 2 373.501 1.800 20 30 FDEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128724 973932037 /nfs/dbraw/zinc/93/20/37/973932037.db2.gz SQTNRXWGFDTRBE-AQNXPRMDSA-N 2 2 370.497 1.340 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000867957942 977141657 /nfs/dbraw/zinc/14/16/57/977141657.db2.gz DGEHPNHCIMDUOS-LJQANCHMSA-N 2 2 354.454 1.068 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000884199804 982975665 /nfs/dbraw/zinc/97/56/65/982975665.db2.gz KJISWCWCAICSKB-OHTSDLOESA-N 2 2 354.454 1.597 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000884268802 983041224 /nfs/dbraw/zinc/04/12/24/983041224.db2.gz USSUXCCDIVNHRC-FHWLQOOXSA-N 2 2 373.497 1.632 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718763 988715045 /nfs/dbraw/zinc/71/50/45/988715045.db2.gz BAEAHLPPZXGKNF-OXJNMPFZSA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718763 988715048 /nfs/dbraw/zinc/71/50/48/988715048.db2.gz BAEAHLPPZXGKNF-OXJNMPFZSA-N 2 2 369.513 1.986 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(OCC#N)cc3)C2)CC1 ZINC000363346840 989114547 /nfs/dbraw/zinc/11/45/47/989114547.db2.gz YYFQWQJVAGTEHC-KRWDZBQOSA-N 2 2 371.485 1.557 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(OCC#N)cc3)C2)CC1 ZINC000363346840 989114553 /nfs/dbraw/zinc/11/45/53/989114553.db2.gz YYFQWQJVAGTEHC-KRWDZBQOSA-N 2 2 371.485 1.557 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOc3ccc(C#N)cc3)C2)CC1 ZINC000369790547 989178600 /nfs/dbraw/zinc/17/86/00/989178600.db2.gz MTRYFQGQERPJPT-KRWDZBQOSA-N 2 2 371.485 1.405 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOc3ccc(C#N)cc3)C2)CC1 ZINC000369790547 989178607 /nfs/dbraw/zinc/17/86/07/989178607.db2.gz MTRYFQGQERPJPT-KRWDZBQOSA-N 2 2 371.485 1.405 20 30 FDEDLP CC(C)(C)OC(=O)N1CCN2C(NCc3c[nH+]c4n3CCCC4)=[NH+]C[C@H]2C1 ZINC000370268324 989601116 /nfs/dbraw/zinc/60/11/16/989601116.db2.gz XMTZVTPLLPEVHV-HNNXBMFYSA-N 2 2 374.489 1.600 20 30 FDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001095428127 990249743 /nfs/dbraw/zinc/24/97/43/990249743.db2.gz IDIIKKFUCGZIRJ-QQXKLLMISA-N 2 2 352.482 1.899 20 30 FDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001095428127 990249754 /nfs/dbraw/zinc/24/97/54/990249754.db2.gz IDIIKKFUCGZIRJ-QQXKLLMISA-N 2 2 352.482 1.899 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886285 994488960 /nfs/dbraw/zinc/48/89/60/994488960.db2.gz VALYLLCHKURKGY-HZMVEIRTSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886285 994488976 /nfs/dbraw/zinc/48/89/76/994488976.db2.gz VALYLLCHKURKGY-HZMVEIRTSA-N 2 2 362.518 1.273 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC000826565377 997149120 /nfs/dbraw/zinc/14/91/20/997149120.db2.gz VLGYFCKWWZWGSB-NRFANRHFSA-N 2 2 369.509 1.657 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC000826565377 997149126 /nfs/dbraw/zinc/14/91/26/997149126.db2.gz VLGYFCKWWZWGSB-NRFANRHFSA-N 2 2 369.509 1.657 20 30 FDEDLP COCC[NH+](CCOC)C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000285347019 999910523 /nfs/dbraw/zinc/91/05/23/999910523.db2.gz AIWQQNFOHFSIRS-UHFFFAOYSA-N 2 2 361.486 1.996 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000928655788 1001612019 /nfs/dbraw/zinc/61/20/19/1001612019.db2.gz YQOFAIUJUMYQBS-QGZVFWFLSA-N 2 2 372.488 1.550 20 30 FDEDLP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948930135 1002836038 /nfs/dbraw/zinc/83/60/38/1002836038.db2.gz YSVAGELXXLZYNB-NSISKUIASA-N 2 2 355.482 1.444 20 30 FDEDLP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948930135 1002836055 /nfs/dbraw/zinc/83/60/55/1002836055.db2.gz YSVAGELXXLZYNB-NSISKUIASA-N 2 2 355.482 1.444 20 30 FDEDLP CC#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000948930135 1002836067 /nfs/dbraw/zinc/83/60/67/1002836067.db2.gz YSVAGELXXLZYNB-NSISKUIASA-N 2 2 355.482 1.444 20 30 FDEDLP CC#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000948930135 1002836084 /nfs/dbraw/zinc/83/60/84/1002836084.db2.gz YSVAGELXXLZYNB-NSISKUIASA-N 2 2 355.482 1.444 20 30 FDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111036934 1005085062 /nfs/dbraw/zinc/08/50/62/1005085062.db2.gz ARKMYTGTSBSPDD-HZMVEIRTSA-N 2 2 355.910 1.961 20 30 FDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111036934 1005085069 /nfs/dbraw/zinc/08/50/69/1005085069.db2.gz ARKMYTGTSBSPDD-HZMVEIRTSA-N 2 2 355.910 1.961 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271356 1007448672 /nfs/dbraw/zinc/44/86/72/1007448672.db2.gz OPCMMUNCZBIROV-LZQZEXGQSA-N 2 2 367.453 1.805 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271356 1007448681 /nfs/dbraw/zinc/44/86/81/1007448681.db2.gz OPCMMUNCZBIROV-LZQZEXGQSA-N 2 2 367.453 1.805 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245414918 178355586 /nfs/dbraw/zinc/35/55/86/178355586.db2.gz CVSDWIKBUFOWLL-FXAWDEMLSA-N 2 2 369.513 1.987 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245414918 178355588 /nfs/dbraw/zinc/35/55/88/178355588.db2.gz CVSDWIKBUFOWLL-FXAWDEMLSA-N 2 2 369.513 1.987 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000529369790 539827498 /nfs/dbraw/zinc/82/74/98/539827498.db2.gz YZPOCFMTXMEMME-SFHVURJKSA-N 2 2 353.470 1.670 20 30 FDEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C#N ZINC000535014264 540439307 /nfs/dbraw/zinc/43/93/07/540439307.db2.gz VATNPYNHWVIECD-UZLBHIALSA-N 2 2 370.497 1.803 20 30 FDEDLP COC(=O)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C#N ZINC000535014264 540439308 /nfs/dbraw/zinc/43/93/08/540439308.db2.gz VATNPYNHWVIECD-UZLBHIALSA-N 2 2 370.497 1.803 20 30 FDEDLP C[N@H+](CCC(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CCCCC1 ZINC000546015446 542075165 /nfs/dbraw/zinc/07/51/65/542075165.db2.gz KMANCLRXVJVOMX-UHFFFAOYSA-N 2 2 350.507 1.715 20 30 FDEDLP C[N@@H+](CCC(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CCCCC1 ZINC000546015446 542075173 /nfs/dbraw/zinc/07/51/73/542075173.db2.gz KMANCLRXVJVOMX-UHFFFAOYSA-N 2 2 350.507 1.715 20 30 FDEDLP CCS(=O)(=O)NCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181632407 174237901 /nfs/dbraw/zinc/23/79/01/174237901.db2.gz GBOQLBMNHAAJTA-UHFFFAOYSA-N 2 2 364.515 1.442 20 30 FDEDLP CC(C)[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(C#N)cc1 ZINC000069521722 521900408 /nfs/dbraw/zinc/90/04/08/521900408.db2.gz NGLUUXLIBHYZBI-UHFFFAOYSA-N 2 2 372.513 1.996 20 30 FDEDLP CC(C)[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(C#N)cc1 ZINC000069521722 521900410 /nfs/dbraw/zinc/90/04/10/521900410.db2.gz NGLUUXLIBHYZBI-UHFFFAOYSA-N 2 2 372.513 1.996 20 30 FDEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)N1CCN(c2ncccn2)CC1 ZINC000073447280 522530804 /nfs/dbraw/zinc/53/08/04/522530804.db2.gz UNWKGESSINVVKN-OAHLLOKOSA-N 2 2 373.530 1.538 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000092618880 524900009 /nfs/dbraw/zinc/90/00/09/524900009.db2.gz HGZVIVCVHVGHGM-RBUKOAKNSA-N 2 2 363.550 1.485 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000092618880 524900020 /nfs/dbraw/zinc/90/00/20/524900020.db2.gz HGZVIVCVHVGHGM-RBUKOAKNSA-N 2 2 363.550 1.485 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000092618880 524900031 /nfs/dbraw/zinc/90/00/31/524900031.db2.gz HGZVIVCVHVGHGM-RBUKOAKNSA-N 2 2 363.550 1.485 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000092618880 524900041 /nfs/dbraw/zinc/90/00/41/524900041.db2.gz HGZVIVCVHVGHGM-RBUKOAKNSA-N 2 2 363.550 1.485 20 30 FDEDLP C[NH+]1CCN(c2cc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)ccn2)CC1 ZINC000115597164 525034242 /nfs/dbraw/zinc/03/42/42/525034242.db2.gz GKPAFCMHOKRYOP-LJQANCHMSA-N 2 2 364.453 1.021 20 30 FDEDLP CCN(CC)C(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000177588986 525315848 /nfs/dbraw/zinc/31/58/48/525315848.db2.gz MAHIHXSZARNGGQ-UHFFFAOYSA-N 2 2 362.474 1.149 20 30 FDEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000103151308 525335581 /nfs/dbraw/zinc/33/55/81/525335581.db2.gz ZPQPJSTUBDVGRV-UHFFFAOYSA-N 2 2 369.469 1.127 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000104866369 525444993 /nfs/dbraw/zinc/44/49/93/525444993.db2.gz OKRMTESPQUZISW-FQEVSTJZSA-N 2 2 355.482 1.352 20 30 FDEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181042908 525795215 /nfs/dbraw/zinc/79/52/15/525795215.db2.gz QXNNDGRSIDGMJW-MJGOQNOKSA-N 2 2 371.481 1.282 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328630136 525934092 /nfs/dbraw/zinc/93/40/92/525934092.db2.gz JBGWFRVMNDEFFJ-SOLBZPMBSA-N 2 2 360.506 1.495 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328630136 525934101 /nfs/dbraw/zinc/93/41/01/525934101.db2.gz JBGWFRVMNDEFFJ-SOLBZPMBSA-N 2 2 360.506 1.495 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328630136 525934111 /nfs/dbraw/zinc/93/41/11/525934111.db2.gz JBGWFRVMNDEFFJ-SOLBZPMBSA-N 2 2 360.506 1.495 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328630136 525934119 /nfs/dbraw/zinc/93/41/19/525934119.db2.gz JBGWFRVMNDEFFJ-SOLBZPMBSA-N 2 2 360.506 1.495 20 30 FDEDLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000181978666 526006554 /nfs/dbraw/zinc/00/65/54/526006554.db2.gz MPEJMFFLYFBFRQ-FUHWJXTLSA-N 2 2 372.469 1.173 20 30 FDEDLP CCNC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182018027 526022869 /nfs/dbraw/zinc/02/28/69/526022869.db2.gz KWVGUVLJXJSAMR-IBGZPJMESA-N 2 2 355.486 1.916 20 30 FDEDLP Cc1nnc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000271489546 537449055 /nfs/dbraw/zinc/44/90/55/537449055.db2.gz KQIBKRNTAATWEV-UHFFFAOYSA-N 2 2 374.514 1.843 20 30 FDEDLP Cc1nnc(CO[NH+]=C(N)CC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000271489546 537449060 /nfs/dbraw/zinc/44/90/60/537449060.db2.gz KQIBKRNTAATWEV-UHFFFAOYSA-N 2 2 374.514 1.843 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000285405428 537703600 /nfs/dbraw/zinc/70/36/00/537703600.db2.gz IBPDNEKVUGDNOW-UHFFFAOYSA-N 2 2 369.469 1.416 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366680200 537820739 /nfs/dbraw/zinc/82/07/39/537820739.db2.gz QJIYTFWTUPBYPA-NEWSRXKRSA-N 2 2 364.534 1.778 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366680200 537820746 /nfs/dbraw/zinc/82/07/46/537820746.db2.gz QJIYTFWTUPBYPA-NEWSRXKRSA-N 2 2 364.534 1.778 20 30 FDEDLP C=CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410899914 538008484 /nfs/dbraw/zinc/00/84/84/538008484.db2.gz OFXSNOKDESFUTC-QZTJIDSGSA-N 2 2 364.534 1.426 20 30 FDEDLP C=CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410899914 538008490 /nfs/dbraw/zinc/00/84/90/538008490.db2.gz OFXSNOKDESFUTC-QZTJIDSGSA-N 2 2 364.534 1.426 20 30 FDEDLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1 ZINC000424178869 538250564 /nfs/dbraw/zinc/25/05/64/538250564.db2.gz XPOXJSCXNUNXQD-GOSISDBHSA-N 2 2 360.458 1.239 20 30 FDEDLP C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000570786054 549409606 /nfs/dbraw/zinc/40/96/06/549409606.db2.gz WSUOQPDSBYITPH-LPHOPBHVSA-N 2 2 355.486 1.774 20 30 FDEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574581106 550337326 /nfs/dbraw/zinc/33/73/26/550337326.db2.gz ADOJSXLHBJWSEC-KOHRHEQBSA-N 2 2 358.490 1.851 20 30 FDEDLP C=C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000577877553 550704886 /nfs/dbraw/zinc/70/48/86/550704886.db2.gz HEAKXMBCZJKFMK-UHFFFAOYSA-N 2 2 355.482 1.918 20 30 FDEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000581632594 551114551 /nfs/dbraw/zinc/11/45/51/551114551.db2.gz ZXRVJBUCBXHJME-IYBDPMFKSA-N 2 2 364.515 1.685 20 30 FDEDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000581632594 551114553 /nfs/dbraw/zinc/11/45/53/551114553.db2.gz ZXRVJBUCBXHJME-IYBDPMFKSA-N 2 2 364.515 1.685 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000594803525 552391067 /nfs/dbraw/zinc/39/10/67/552391067.db2.gz QBCIAYBKDVJQDN-ZDUSSCGKSA-N 2 2 356.467 1.248 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000594803525 552391069 /nfs/dbraw/zinc/39/10/69/552391069.db2.gz QBCIAYBKDVJQDN-ZDUSSCGKSA-N 2 2 356.467 1.248 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000594804408 552391520 /nfs/dbraw/zinc/39/15/20/552391520.db2.gz YUWRAMODELYVET-AWEZNQCLSA-N 2 2 370.494 1.389 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000594804408 552391521 /nfs/dbraw/zinc/39/15/21/552391521.db2.gz YUWRAMODELYVET-AWEZNQCLSA-N 2 2 370.494 1.389 20 30 FDEDLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839733 552621857 /nfs/dbraw/zinc/62/18/57/552621857.db2.gz IQTJEFVCYNHPCB-UWJYYQICSA-N 2 2 370.497 1.759 20 30 FDEDLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839733 552621858 /nfs/dbraw/zinc/62/18/58/552621858.db2.gz IQTJEFVCYNHPCB-UWJYYQICSA-N 2 2 370.497 1.759 20 30 FDEDLP CN(C(=O)NCCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000596670944 552699476 /nfs/dbraw/zinc/69/94/76/552699476.db2.gz GHYVYNANRWHMNV-FQEVSTJZSA-N 2 2 369.513 1.911 20 30 FDEDLP CN(C(=O)NCCc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000596670944 552699479 /nfs/dbraw/zinc/69/94/79/552699479.db2.gz GHYVYNANRWHMNV-FQEVSTJZSA-N 2 2 369.513 1.911 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603274219 553749816 /nfs/dbraw/zinc/74/98/16/553749816.db2.gz SQGNGWVQADAVCI-UHFFFAOYSA-N 2 2 361.471 1.148 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(C#N)cc3F)C2)CC1 ZINC000609639731 554407278 /nfs/dbraw/zinc/40/72/78/554407278.db2.gz MVYREWMKJZEFLL-INIZCTEOSA-N 2 2 359.449 1.665 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(C#N)cc3F)C2)CC1 ZINC000609639731 554407279 /nfs/dbraw/zinc/40/72/79/554407279.db2.gz MVYREWMKJZEFLL-INIZCTEOSA-N 2 2 359.449 1.665 20 30 FDEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCN(CCC#N)CC2)CC1 ZINC000611173673 554611867 /nfs/dbraw/zinc/61/18/67/554611867.db2.gz GDABESFNKFWPOA-IBGZPJMESA-N 2 2 369.513 1.423 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@H+](CC#CCN1C(=O)c3ccccc3C1=O)CCO2 ZINC000625508557 556833741 /nfs/dbraw/zinc/83/37/41/556833741.db2.gz BPBIPZWZKXQSDF-UHFFFAOYSA-N 2 2 367.449 1.083 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC#CCN1C(=O)c3ccccc3C1=O)CCO2 ZINC000625508557 556833745 /nfs/dbraw/zinc/83/37/45/556833745.db2.gz BPBIPZWZKXQSDF-UHFFFAOYSA-N 2 2 367.449 1.083 20 30 FDEDLP C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C1=CC[N@H+](C)CC1 ZINC000329314038 676632756 /nfs/dbraw/zinc/63/27/56/676632756.db2.gz GWIOOYSOXVSLHZ-MAUKXSAKSA-N 2 2 368.547 1.348 20 30 FDEDLP C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C1=CC[N@@H+](C)CC1 ZINC000329314038 676632758 /nfs/dbraw/zinc/63/27/58/676632758.db2.gz GWIOOYSOXVSLHZ-MAUKXSAKSA-N 2 2 368.547 1.348 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367031482 677480679 /nfs/dbraw/zinc/48/06/79/677480679.db2.gz VUKIZQGULLAMMN-CEXWTWQISA-N 2 2 350.551 1.757 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367031482 677480681 /nfs/dbraw/zinc/48/06/81/677480681.db2.gz VUKIZQGULLAMMN-CEXWTWQISA-N 2 2 350.551 1.757 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC#C[C@@H]3CCCCO3)CC2)CC1 ZINC000892522077 786726660 /nfs/dbraw/zinc/72/66/60/786726660.db2.gz OTQWTHQFSOLBSE-IBGZPJMESA-N 2 2 362.518 1.417 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001087435213 808772995 /nfs/dbraw/zinc/77/29/95/808772995.db2.gz DNCWTCCTDCVULJ-NJYVYQBISA-N 2 2 369.509 1.703 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001087435213 808772997 /nfs/dbraw/zinc/77/29/97/808772997.db2.gz DNCWTCCTDCVULJ-NJYVYQBISA-N 2 2 369.509 1.703 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001087435213 808773002 /nfs/dbraw/zinc/77/30/02/808773002.db2.gz DNCWTCCTDCVULJ-NJYVYQBISA-N 2 2 369.509 1.703 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001087435213 808773006 /nfs/dbraw/zinc/77/30/06/808773006.db2.gz DNCWTCCTDCVULJ-NJYVYQBISA-N 2 2 369.509 1.703 20 30 FDEDLP C=CCCn1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000424689781 815414129 /nfs/dbraw/zinc/41/41/29/815414129.db2.gz LHCZAUUTUZMVHV-UHFFFAOYSA-N 2 2 360.506 1.534 20 30 FDEDLP C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261946103 811350147 /nfs/dbraw/zinc/35/01/47/811350147.db2.gz FZOVZHPENSMMNH-SJORKVTESA-N 2 2 374.533 1.990 20 30 FDEDLP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262001981 811364887 /nfs/dbraw/zinc/36/48/87/811364887.db2.gz UQDYVPZDCVKNRI-HOCLYGCPSA-N 2 2 356.478 1.535 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262004587 811365136 /nfs/dbraw/zinc/36/51/36/811365136.db2.gz VGWRFSJVQDFTRC-KSSFIOAISA-N 3 2 367.501 1.723 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262004587 811365147 /nfs/dbraw/zinc/36/51/47/811365147.db2.gz VGWRFSJVQDFTRC-KSSFIOAISA-N 3 2 367.501 1.723 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262020388 811369411 /nfs/dbraw/zinc/36/94/11/811369411.db2.gz YPJNSCSMFDSLJN-RDTXWAMCSA-N 3 2 367.501 1.723 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262020388 811369425 /nfs/dbraw/zinc/36/94/25/811369425.db2.gz YPJNSCSMFDSLJN-RDTXWAMCSA-N 3 2 367.501 1.723 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2conc2CC)[C@@H]1CC ZINC001087607070 821713015 /nfs/dbraw/zinc/71/30/15/821713015.db2.gz JMDWSCZLUDJQGG-OTWHNJEPSA-N 2 2 358.486 1.804 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2conc2CC)[C@@H]1CC ZINC001087607070 821713019 /nfs/dbraw/zinc/71/30/19/821713019.db2.gz JMDWSCZLUDJQGG-OTWHNJEPSA-N 2 2 358.486 1.804 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2conc2CC)[C@@H]1CC ZINC001087607070 821713026 /nfs/dbraw/zinc/71/30/26/821713026.db2.gz JMDWSCZLUDJQGG-OTWHNJEPSA-N 2 2 358.486 1.804 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2conc2CC)[C@@H]1CC ZINC001087607070 821713031 /nfs/dbraw/zinc/71/30/31/821713031.db2.gz JMDWSCZLUDJQGG-OTWHNJEPSA-N 2 2 358.486 1.804 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cncc(C)c2)[C@@H]1CC ZINC001087607024 821713529 /nfs/dbraw/zinc/71/35/29/821713529.db2.gz GPKFMWYVXAIMBX-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cncc(C)c2)[C@@H]1CC ZINC001087607024 821713541 /nfs/dbraw/zinc/71/35/41/821713541.db2.gz GPKFMWYVXAIMBX-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cncc(C)c2)[C@@H]1CC ZINC001087607024 821713553 /nfs/dbraw/zinc/71/35/53/821713553.db2.gz GPKFMWYVXAIMBX-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cncc(C)c2)[C@@H]1CC ZINC001087607024 821713559 /nfs/dbraw/zinc/71/35/59/821713559.db2.gz GPKFMWYVXAIMBX-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329255757 824697540 /nfs/dbraw/zinc/69/75/40/824697540.db2.gz ARIZPPILNRAPDB-LPHOPBHVSA-N 2 2 354.454 1.821 20 30 FDEDLP O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329255757 824697542 /nfs/dbraw/zinc/69/75/42/824697542.db2.gz ARIZPPILNRAPDB-LPHOPBHVSA-N 2 2 354.454 1.821 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(N(C)C)c2)[C@@H]1C ZINC001088631204 838622268 /nfs/dbraw/zinc/62/22/68/838622268.db2.gz YSORQGSZRFAMSK-NEWSRXKRSA-N 2 2 369.513 1.324 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(N(C)C)c2)[C@@H]1C ZINC001088631204 838622272 /nfs/dbraw/zinc/62/22/72/838622272.db2.gz YSORQGSZRFAMSK-NEWSRXKRSA-N 2 2 369.513 1.324 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccnc(N(C)C)c2)[C@@H]1C ZINC001088631204 838622279 /nfs/dbraw/zinc/62/22/79/838622279.db2.gz YSORQGSZRFAMSK-NEWSRXKRSA-N 2 2 369.513 1.324 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccnc(N(C)C)c2)[C@@H]1C ZINC001088631204 838622283 /nfs/dbraw/zinc/62/22/83/838622283.db2.gz YSORQGSZRFAMSK-NEWSRXKRSA-N 2 2 369.513 1.324 20 30 FDEDLP C[NH+]1CCC(CNC(=S)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000760465458 839985434 /nfs/dbraw/zinc/98/54/34/839985434.db2.gz XEWCQAOCGLAUKY-UHFFFAOYSA-N 2 2 371.554 1.892 20 30 FDEDLP C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000668910990 859221466 /nfs/dbraw/zinc/22/14/66/859221466.db2.gz NUADTGRLYZQDOM-IAGOWNOFSA-N 2 2 362.518 1.086 20 30 FDEDLP C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000668910990 859221475 /nfs/dbraw/zinc/22/14/75/859221475.db2.gz NUADTGRLYZQDOM-IAGOWNOFSA-N 2 2 362.518 1.086 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001033186669 881700128 /nfs/dbraw/zinc/70/01/28/881700128.db2.gz XZTKVGQBQUFUSY-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001033186669 881700142 /nfs/dbraw/zinc/70/01/42/881700142.db2.gz XZTKVGQBQUFUSY-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001033186669 881700151 /nfs/dbraw/zinc/70/01/51/881700151.db2.gz XZTKVGQBQUFUSY-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001033186669 881700163 /nfs/dbraw/zinc/70/01/63/881700163.db2.gz XZTKVGQBQUFUSY-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H]2C)C1=O ZINC001088939280 865583136 /nfs/dbraw/zinc/58/31/36/865583136.db2.gz HPVNXXIWQBKLKO-FGTMMUONSA-N 2 2 362.518 1.084 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H]2C)C1=O ZINC001088939280 865583146 /nfs/dbraw/zinc/58/31/46/865583146.db2.gz HPVNXXIWQBKLKO-FGTMMUONSA-N 2 2 362.518 1.084 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)cc1C#N ZINC001089041172 866240598 /nfs/dbraw/zinc/24/05/98/866240598.db2.gz GYGSTVMOBZIDSP-KDOFPFPSSA-N 2 2 367.453 1.851 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)cc1C#N ZINC001089041172 866240620 /nfs/dbraw/zinc/24/06/20/866240620.db2.gz GYGSTVMOBZIDSP-KDOFPFPSSA-N 2 2 367.453 1.851 20 30 FDEDLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000187056592 887734524 /nfs/dbraw/zinc/73/45/24/887734524.db2.gz DKKXJDWNVVHVGV-FQEVSTJZSA-N 3 2 373.545 1.524 20 30 FDEDLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000187056592 887734530 /nfs/dbraw/zinc/73/45/30/887734530.db2.gz DKKXJDWNVVHVGV-FQEVSTJZSA-N 3 2 373.545 1.524 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084231752 913778821 /nfs/dbraw/zinc/77/88/21/913778821.db2.gz KLHYNLZZDCVDDR-AYOQOUSVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084231752 913778826 /nfs/dbraw/zinc/77/88/26/913778826.db2.gz KLHYNLZZDCVDDR-AYOQOUSVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084231752 913778854 /nfs/dbraw/zinc/77/88/54/913778854.db2.gz KLHYNLZZDCVDDR-AYOQOUSVSA-N 2 2 356.445 1.824 20 30 FDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129307766 901071548 /nfs/dbraw/zinc/07/15/48/901071548.db2.gz NTKUURBEOPJIRT-CVEARBPZSA-N 2 2 357.462 1.216 20 30 FDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129307766 901071561 /nfs/dbraw/zinc/07/15/61/901071561.db2.gz NTKUURBEOPJIRT-CVEARBPZSA-N 2 2 357.462 1.216 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001079147245 901971965 /nfs/dbraw/zinc/97/19/65/901971965.db2.gz FEPKGINYPHCECB-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001079147245 901971970 /nfs/dbraw/zinc/97/19/70/901971970.db2.gz FEPKGINYPHCECB-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001079147245 901971973 /nfs/dbraw/zinc/97/19/73/901971973.db2.gz FEPKGINYPHCECB-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001079147245 901971980 /nfs/dbraw/zinc/97/19/80/901971980.db2.gz FEPKGINYPHCECB-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1C ZINC001079878037 903599705 /nfs/dbraw/zinc/59/97/05/903599705.db2.gz CMJLBFMVVKAMRO-AHRSYUTCSA-N 2 2 355.482 1.213 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1C ZINC001079878037 903599720 /nfs/dbraw/zinc/59/97/20/903599720.db2.gz CMJLBFMVVKAMRO-AHRSYUTCSA-N 2 2 355.482 1.213 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1C ZINC001079878037 903599732 /nfs/dbraw/zinc/59/97/32/903599732.db2.gz CMJLBFMVVKAMRO-AHRSYUTCSA-N 2 2 355.482 1.213 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1C ZINC001079878037 903599751 /nfs/dbraw/zinc/59/97/51/903599751.db2.gz CMJLBFMVVKAMRO-AHRSYUTCSA-N 2 2 355.482 1.213 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856735 905248111 /nfs/dbraw/zinc/24/81/11/905248111.db2.gz IZGGFUHOJFHURJ-CEXWTWQISA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856735 905248122 /nfs/dbraw/zinc/24/81/22/905248122.db2.gz IZGGFUHOJFHURJ-CEXWTWQISA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081856735 905248140 /nfs/dbraw/zinc/24/81/40/905248140.db2.gz IZGGFUHOJFHURJ-CEXWTWQISA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081856735 905248148 /nfs/dbraw/zinc/24/81/48/905248148.db2.gz IZGGFUHOJFHURJ-CEXWTWQISA-N 2 2 356.470 1.358 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]2C)CC1 ZINC001080997872 906974280 /nfs/dbraw/zinc/97/42/80/906974280.db2.gz NJPUQDIWBQPOSO-SOLBZPMBSA-N 2 2 355.486 1.319 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]2C)CC1 ZINC001080997872 906974288 /nfs/dbraw/zinc/97/42/88/906974288.db2.gz NJPUQDIWBQPOSO-SOLBZPMBSA-N 2 2 355.486 1.319 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082493090 908015527 /nfs/dbraw/zinc/01/55/27/908015527.db2.gz VOHMULIFLHICOG-CXAGYDPISA-N 2 2 355.417 1.990 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001082525324 908258512 /nfs/dbraw/zinc/25/85/12/908258512.db2.gz JZEUVIVWDDGVKE-LYRGGWFBSA-N 2 2 351.882 1.979 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001082525324 908258527 /nfs/dbraw/zinc/25/85/27/908258527.db2.gz JZEUVIVWDDGVKE-LYRGGWFBSA-N 2 2 351.882 1.979 20 30 FDEDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1C#N ZINC001082767411 910066524 /nfs/dbraw/zinc/06/65/24/910066524.db2.gz SQKRLQLPHOUUNK-CXAGYDPISA-N 2 2 353.426 1.469 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410301 911893251 /nfs/dbraw/zinc/89/32/51/911893251.db2.gz PXTBUSANIATIRN-AQNXPRMDSA-N 2 2 355.482 1.194 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410301 911893263 /nfs/dbraw/zinc/89/32/63/911893263.db2.gz PXTBUSANIATIRN-AQNXPRMDSA-N 2 2 355.482 1.194 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC001084446643 914902062 /nfs/dbraw/zinc/90/20/62/914902062.db2.gz HJNCOTBOWFCILL-HUYLIWGRSA-N 2 2 368.481 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC001084446643 914902064 /nfs/dbraw/zinc/90/20/64/914902064.db2.gz HJNCOTBOWFCILL-HUYLIWGRSA-N 2 2 368.481 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC001084446643 914902068 /nfs/dbraw/zinc/90/20/68/914902068.db2.gz HJNCOTBOWFCILL-HUYLIWGRSA-N 2 2 368.481 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC001084446643 914902076 /nfs/dbraw/zinc/90/20/76/914902076.db2.gz HJNCOTBOWFCILL-HUYLIWGRSA-N 2 2 368.481 1.310 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084805470 917264871 /nfs/dbraw/zinc/26/48/71/917264871.db2.gz PWLYNXXBCINHED-UYAOXDASSA-N 2 2 363.465 1.957 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084805470 917264877 /nfs/dbraw/zinc/26/48/77/917264877.db2.gz PWLYNXXBCINHED-UYAOXDASSA-N 2 2 363.465 1.957 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c(F)c1 ZINC001084831801 917523268 /nfs/dbraw/zinc/52/32/68/917523268.db2.gz ZWNIDUWSYKNJRU-IEBWSBKVSA-N 2 2 356.445 1.826 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c(F)c1 ZINC001084831801 917523272 /nfs/dbraw/zinc/52/32/72/917523272.db2.gz ZWNIDUWSYKNJRU-IEBWSBKVSA-N 2 2 356.445 1.826 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(C)o3)[C@H]2C1 ZINC001084961238 918908457 /nfs/dbraw/zinc/90/84/57/918908457.db2.gz UMMWBLLRJLDQDU-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(C)o3)[C@H]2C1 ZINC001084961238 918908464 /nfs/dbraw/zinc/90/84/64/918908464.db2.gz UMMWBLLRJLDQDU-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnc(C)o3)[C@H]2C1 ZINC001084961238 918908465 /nfs/dbraw/zinc/90/84/65/918908465.db2.gz UMMWBLLRJLDQDU-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnc(C)o3)[C@H]2C1 ZINC001084961238 918908469 /nfs/dbraw/zinc/90/84/69/918908469.db2.gz UMMWBLLRJLDQDU-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604719 924969132 /nfs/dbraw/zinc/96/91/32/924969132.db2.gz QDJQZHYEQBZPLL-AYOQOUSVSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604719 924969133 /nfs/dbraw/zinc/96/91/33/924969133.db2.gz QDJQZHYEQBZPLL-AYOQOUSVSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085604719 924969139 /nfs/dbraw/zinc/96/91/39/924969139.db2.gz QDJQZHYEQBZPLL-AYOQOUSVSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085604719 924969143 /nfs/dbraw/zinc/96/91/43/924969143.db2.gz QDJQZHYEQBZPLL-AYOQOUSVSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1cc2cc(C#N)c(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2cc1OC ZINC001169071898 928261256 /nfs/dbraw/zinc/26/12/56/928261256.db2.gz ORCIVEOMSNXJEP-CYBMUJFWSA-N 2 2 353.382 1.171 20 30 FDEDLP N#Cc1ccc(Oc2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ncc2F)cc1 ZINC001169072992 928263097 /nfs/dbraw/zinc/26/30/97/928263097.db2.gz XNSPJGATOUTCLY-GFCCVEGCSA-N 2 2 354.345 1.327 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109778774 930400570 /nfs/dbraw/zinc/40/05/70/930400570.db2.gz UXESKDXAPFKYBB-YVSFHVDLSA-N 2 2 373.501 1.419 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109778774 930400575 /nfs/dbraw/zinc/40/05/75/930400575.db2.gz UXESKDXAPFKYBB-YVSFHVDLSA-N 2 2 373.501 1.419 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902298 938560891 /nfs/dbraw/zinc/56/08/91/938560891.db2.gz CTVIQSDUMVZTHN-KURKYZTESA-N 2 2 371.489 1.680 20 30 FDEDLP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760218 938569006 /nfs/dbraw/zinc/56/90/06/938569006.db2.gz HUGIQPMZSAKICW-INIZCTEOSA-N 2 2 366.506 1.258 20 30 FDEDLP C#CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000805047843 938651583 /nfs/dbraw/zinc/65/15/83/938651583.db2.gz DDLKAGWLUBSFQG-RTBURBONSA-N 2 2 369.575 1.999 20 30 FDEDLP C#CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000805047843 938651586 /nfs/dbraw/zinc/65/15/86/938651586.db2.gz DDLKAGWLUBSFQG-RTBURBONSA-N 2 2 369.575 1.999 20 30 FDEDLP C#CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000805047838 938651666 /nfs/dbraw/zinc/65/16/66/938651666.db2.gz DDLKAGWLUBSFQG-MOPGFXCFSA-N 2 2 369.575 1.999 20 30 FDEDLP C#CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000805047838 938651668 /nfs/dbraw/zinc/65/16/68/938651668.db2.gz DDLKAGWLUBSFQG-MOPGFXCFSA-N 2 2 369.575 1.999 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130682685 939982278 /nfs/dbraw/zinc/98/22/78/939982278.db2.gz HUVISFGSVDYMJR-XYJFISCASA-N 2 2 356.474 1.728 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739765 940041577 /nfs/dbraw/zinc/04/15/77/940041577.db2.gz NKTZXDBQPRWGSF-PKOBYXMFSA-N 2 2 370.501 1.947 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131117691 940504521 /nfs/dbraw/zinc/50/45/21/940504521.db2.gz MSINDIYWADAWGD-QZTJIDSGSA-N 2 2 370.501 1.637 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001131522446 940705628 /nfs/dbraw/zinc/70/56/28/940705628.db2.gz HYBNRHRUMQLXQN-NSHGMRRFSA-N 2 2 370.497 1.455 20 30 FDEDLP N#Cc1cncc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001144080169 948200133 /nfs/dbraw/zinc/20/01/33/948200133.db2.gz XGLSQDDWCKECAO-UHFFFAOYSA-N 2 2 351.458 1.589 20 30 FDEDLP N#Cc1cncc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001144080169 948200140 /nfs/dbraw/zinc/20/01/40/948200140.db2.gz XGLSQDDWCKECAO-UHFFFAOYSA-N 2 2 351.458 1.589 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1c1cnn(C)c1 ZINC001086984090 952998413 /nfs/dbraw/zinc/99/84/13/952998413.db2.gz ZNCRJYWRTUMMCF-ZWKOTPCHSA-N 2 2 369.469 1.527 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092063960 954186592 /nfs/dbraw/zinc/18/65/92/954186592.db2.gz ZDZUEGWFAHIBEO-QUCCMNQESA-N 2 2 359.514 1.435 20 30 FDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092063960 954186595 /nfs/dbraw/zinc/18/65/95/954186595.db2.gz ZDZUEGWFAHIBEO-QUCCMNQESA-N 2 2 359.514 1.435 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093455123 958272269 /nfs/dbraw/zinc/27/22/69/958272269.db2.gz KOUZTTXWKMQPSO-SMOSDQRPSA-N 2 2 360.502 1.505 20 30 FDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171878402 961336901 /nfs/dbraw/zinc/33/69/01/961336901.db2.gz JZVZWWMTVKBOME-KURKYZTESA-N 2 2 353.507 1.317 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110196132 963468605 /nfs/dbraw/zinc/46/86/05/963468605.db2.gz UNEUMNBDUPFDLA-MHORFTMASA-N 2 2 373.501 1.418 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110196132 963468613 /nfs/dbraw/zinc/46/86/13/963468613.db2.gz UNEUMNBDUPFDLA-MHORFTMASA-N 2 2 373.501 1.418 20 30 FDEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189317161 966907216 /nfs/dbraw/zinc/90/72/16/966907216.db2.gz HMBCZRHCEUZYQU-ZWKOTPCHSA-N 2 2 358.486 1.579 20 30 FDEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189317161 966907217 /nfs/dbraw/zinc/90/72/17/966907217.db2.gz HMBCZRHCEUZYQU-ZWKOTPCHSA-N 2 2 358.486 1.579 20 30 FDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468837 968524270 /nfs/dbraw/zinc/52/42/70/968524270.db2.gz PRLCRYTVNXFSHX-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468837 968524276 /nfs/dbraw/zinc/52/42/76/968524276.db2.gz PRLCRYTVNXFSHX-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1 ZINC001198018280 972644801 /nfs/dbraw/zinc/64/48/01/972644801.db2.gz GGSMXLAIKMLALB-UHFFFAOYSA-N 2 2 371.529 1.742 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1 ZINC001198018280 972644805 /nfs/dbraw/zinc/64/48/05/972644805.db2.gz GGSMXLAIKMLALB-UHFFFAOYSA-N 2 2 371.529 1.742 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110577729 975274079 /nfs/dbraw/zinc/27/40/79/975274079.db2.gz XLTKVJLGGVTQOZ-VQHPVUNQSA-N 2 2 373.501 1.420 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110577729 975274087 /nfs/dbraw/zinc/27/40/87/975274087.db2.gz XLTKVJLGGVTQOZ-VQHPVUNQSA-N 2 2 373.501 1.420 20 30 FDEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000866668604 975891298 /nfs/dbraw/zinc/89/12/98/975891298.db2.gz SPAOQYBFBFNDJY-RTBURBONSA-N 2 2 357.454 1.863 20 30 FDEDLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000867981609 977166232 /nfs/dbraw/zinc/16/62/32/977166232.db2.gz VBZJAVUTKSWZJA-SFHVURJKSA-N 2 2 356.470 1.314 20 30 FDEDLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)c1 ZINC000867998677 977183410 /nfs/dbraw/zinc/18/34/10/977183410.db2.gz YXUPXGACIAMHPO-OALUTQOASA-N 2 2 358.486 1.723 20 30 FDEDLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)c1 ZINC000867998677 977183415 /nfs/dbraw/zinc/18/34/15/977183415.db2.gz YXUPXGACIAMHPO-OALUTQOASA-N 2 2 358.486 1.723 20 30 FDEDLP C=CCC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCO1 ZINC000883205217 982013463 /nfs/dbraw/zinc/01/34/63/982013463.db2.gz RKKXONKTMZAJQM-FGTMMUONSA-N 2 2 351.491 1.023 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1C[NH+]1CCOCC1)C2 ZINC000884180239 982953453 /nfs/dbraw/zinc/95/34/53/982953453.db2.gz QTZVXGAMQMUPSA-SCCNAQOGSA-N 2 2 368.481 1.274 20 30 FDEDLP C[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000884319698 983081076 /nfs/dbraw/zinc/08/10/76/983081076.db2.gz BGOREZQGPULTGK-YKJDJSTDSA-N 2 2 374.435 1.966 20 30 FDEDLP C[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000884319698 983081080 /nfs/dbraw/zinc/08/10/80/983081080.db2.gz BGOREZQGPULTGK-YKJDJSTDSA-N 2 2 374.435 1.966 20 30 FDEDLP C[C@@H](O)CNc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000294485402 988429682 /nfs/dbraw/zinc/42/96/82/988429682.db2.gz RXDZTUVXPNVFCJ-MRXNPFEDSA-N 2 2 366.469 1.853 20 30 FDEDLP C[C@@H](O)CNc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000294485402 988429692 /nfs/dbraw/zinc/42/96/92/988429692.db2.gz RXDZTUVXPNVFCJ-MRXNPFEDSA-N 2 2 366.469 1.853 20 30 FDEDLP N#Cc1ccccc1OCC[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000372271784 990990322 /nfs/dbraw/zinc/99/03/22/990990322.db2.gz DHGRLIACKAUFAJ-UHFFFAOYSA-N 2 2 358.486 1.277 20 30 FDEDLP N#Cc1ccccc1OCC[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000372271784 990990328 /nfs/dbraw/zinc/99/03/28/990990328.db2.gz DHGRLIACKAUFAJ-UHFFFAOYSA-N 2 2 358.486 1.277 20 30 FDEDLP CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372602223 991258172 /nfs/dbraw/zinc/25/81/72/991258172.db2.gz WDHVYRRNPLJWKC-GOSISDBHSA-N 2 2 369.469 1.124 20 30 FDEDLP CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372602223 991258181 /nfs/dbraw/zinc/25/81/81/991258181.db2.gz WDHVYRRNPLJWKC-GOSISDBHSA-N 2 2 369.469 1.124 20 30 FDEDLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782057 992908756 /nfs/dbraw/zinc/90/87/56/992908756.db2.gz MPINZESNIKVXEB-OXJNMPFZSA-N 2 2 369.513 1.135 20 30 FDEDLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782057 992908765 /nfs/dbraw/zinc/90/87/65/992908765.db2.gz MPINZESNIKVXEB-OXJNMPFZSA-N 2 2 369.513 1.135 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncccc1C ZINC001095556566 993448698 /nfs/dbraw/zinc/44/86/98/993448698.db2.gz ZHSPXRFFIRVMNL-UMGGQSCQSA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncccc1C ZINC001095556566 993448708 /nfs/dbraw/zinc/44/87/08/993448708.db2.gz ZHSPXRFFIRVMNL-UMGGQSCQSA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ncccc1C ZINC001095556566 993448714 /nfs/dbraw/zinc/44/87/14/993448714.db2.gz ZHSPXRFFIRVMNL-UMGGQSCQSA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ncccc1C ZINC001095556566 993448726 /nfs/dbraw/zinc/44/87/26/993448726.db2.gz ZHSPXRFFIRVMNL-UMGGQSCQSA-N 2 2 352.482 1.709 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000826013402 993624911 /nfs/dbraw/zinc/62/49/11/993624911.db2.gz NHBDTVXDBMTHJN-UHFFFAOYSA-N 2 2 367.409 1.998 20 30 FDEDLP C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857845 1003592865 /nfs/dbraw/zinc/59/28/65/1003592865.db2.gz HNNDUWZABFSTRI-KSZLIROESA-N 2 2 357.498 1.866 20 30 FDEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857845 1003592880 /nfs/dbraw/zinc/59/28/80/1003592880.db2.gz HNNDUWZABFSTRI-KSZLIROESA-N 2 2 357.498 1.866 20 30 FDEDLP C#CCNC(=O)[C@H](C)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857845 1003592891 /nfs/dbraw/zinc/59/28/91/1003592891.db2.gz HNNDUWZABFSTRI-KSZLIROESA-N 2 2 357.498 1.866 20 30 FDEDLP C#CCNC(=O)[C@H](C)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857845 1003592899 /nfs/dbraw/zinc/59/28/99/1003592899.db2.gz HNNDUWZABFSTRI-KSZLIROESA-N 2 2 357.498 1.866 20 30 FDEDLP COc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932578345 1005022204 /nfs/dbraw/zinc/02/22/04/1005022204.db2.gz XBHGESGJMXKWNN-QGZVFWFLSA-N 2 2 356.470 1.807 20 30 FDEDLP COc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932578345 1005022212 /nfs/dbraw/zinc/02/22/12/1005022212.db2.gz XBHGESGJMXKWNN-QGZVFWFLSA-N 2 2 356.470 1.807 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150327 1006477118 /nfs/dbraw/zinc/47/71/18/1006477118.db2.gz KQLDXYQIKMNQMQ-HPBDAGMYSA-N 2 2 373.501 1.384 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150327 1006477125 /nfs/dbraw/zinc/47/71/25/1006477125.db2.gz KQLDXYQIKMNQMQ-HPBDAGMYSA-N 2 2 373.501 1.384 20 30 FDEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512723 539764573 /nfs/dbraw/zinc/76/45/73/539764573.db2.gz MXJHKOAHMCCNNN-NRFANRHFSA-N 2 2 351.450 1.704 20 30 FDEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512723 539764576 /nfs/dbraw/zinc/76/45/76/539764576.db2.gz MXJHKOAHMCCNNN-NRFANRHFSA-N 2 2 351.450 1.704 20 30 FDEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512723 539764579 /nfs/dbraw/zinc/76/45/79/539764579.db2.gz MXJHKOAHMCCNNN-NRFANRHFSA-N 2 2 351.450 1.704 20 30 FDEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512723 539764581 /nfs/dbraw/zinc/76/45/81/539764581.db2.gz MXJHKOAHMCCNNN-NRFANRHFSA-N 2 2 351.450 1.704 20 30 FDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)Cn2c(C)[nH+]c3ccccc32)c1C#N ZINC000534792026 540413326 /nfs/dbraw/zinc/41/33/26/540413326.db2.gz CNONMPJJEPJXIZ-UHFFFAOYSA-N 2 2 351.414 1.730 20 30 FDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CC1 ZINC000538956557 540913725 /nfs/dbraw/zinc/91/37/25/540913725.db2.gz ZTXVQOJIYINFIO-UHFFFAOYSA-N 2 2 355.482 1.916 20 30 FDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CC1 ZINC000538956557 540913727 /nfs/dbraw/zinc/91/37/27/540913727.db2.gz ZTXVQOJIYINFIO-UHFFFAOYSA-N 2 2 355.482 1.916 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000097000185 172326001 /nfs/dbraw/zinc/32/60/01/172326001.db2.gz WREPUNVGOAGIPR-UHFFFAOYSA-N 2 2 350.488 1.205 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000097000185 172326003 /nfs/dbraw/zinc/32/60/03/172326003.db2.gz WREPUNVGOAGIPR-UHFFFAOYSA-N 2 2 350.488 1.205 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC(=O)N3CCOCC3)CC2)cc1 ZINC000181595375 174235869 /nfs/dbraw/zinc/23/58/69/174235869.db2.gz RJGWQXXLTVWNGU-UHFFFAOYSA-N 2 2 356.470 1.361 20 30 FDEDLP C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367536007 260057372 /nfs/dbraw/zinc/05/73/72/260057372.db2.gz OKDBHBLAAAFAOM-MRXNPFEDSA-N 2 2 355.486 1.868 20 30 FDEDLP C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367536007 260057373 /nfs/dbraw/zinc/05/73/73/260057373.db2.gz OKDBHBLAAAFAOM-MRXNPFEDSA-N 2 2 355.486 1.868 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837653 260610835 /nfs/dbraw/zinc/61/08/35/260610835.db2.gz CZQHQDFODAKKPR-APWZRJJASA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837653 260610836 /nfs/dbraw/zinc/61/08/36/260610836.db2.gz CZQHQDFODAKKPR-APWZRJJASA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccc(C#N)cc1 ZINC000378576993 262048907 /nfs/dbraw/zinc/04/89/07/262048907.db2.gz IOSLHQSOWCXFJT-LPHOPBHVSA-N 2 2 356.470 1.532 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000074130169 522688847 /nfs/dbraw/zinc/68/88/47/522688847.db2.gz OSIHMHDQKULNSN-IBGZPJMESA-N 2 2 364.534 1.923 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000074491407 522784254 /nfs/dbraw/zinc/78/42/54/522784254.db2.gz JJPJJMWUYFVSGO-LJQANCHMSA-N 2 2 355.486 1.870 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000074491407 522784260 /nfs/dbraw/zinc/78/42/60/522784260.db2.gz JJPJJMWUYFVSGO-LJQANCHMSA-N 2 2 355.486 1.870 20 30 FDEDLP CC[C@@H](c1nnc(S[C@@H](C)C#N)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000078249389 523540420 /nfs/dbraw/zinc/54/04/20/523540420.db2.gz CNLNCKOINPWWOB-KBPBESRZSA-N 2 2 352.508 1.627 20 30 FDEDLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccccc1OC(F)(F)F ZINC000160614041 524929259 /nfs/dbraw/zinc/92/92/59/524929259.db2.gz LVIGWXFJEWWKBZ-NSHDSACASA-N 2 2 362.352 1.005 20 30 FDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127167222 525391783 /nfs/dbraw/zinc/39/17/83/525391783.db2.gz DLBWAPMNNFISIC-IAGOWNOFSA-N 2 2 366.531 1.724 20 30 FDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000104154769 525398119 /nfs/dbraw/zinc/39/81/19/525398119.db2.gz WVOZLJXNJYIUGZ-CQSZACIVSA-N 2 2 367.519 1.876 20 30 FDEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178905652 525502026 /nfs/dbraw/zinc/50/20/26/525502026.db2.gz PEBHGFLXCLFUDB-AEFFLSMTSA-N 2 2 372.469 1.000 20 30 FDEDLP Cn1cc[nH+]c1CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000106440837 525725439 /nfs/dbraw/zinc/72/54/39/525725439.db2.gz FFZPAXUYLMJQQF-UHFFFAOYSA-N 2 2 352.442 1.438 20 30 FDEDLP COc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)cc1OC ZINC000170912902 525767999 /nfs/dbraw/zinc/76/79/99/525767999.db2.gz FGPXFUSPXNYWFN-UHFFFAOYSA-N 2 2 350.463 1.219 20 30 FDEDLP COc1ccc(CNC(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)cc1OC ZINC000170912902 525768005 /nfs/dbraw/zinc/76/80/05/525768005.db2.gz FGPXFUSPXNYWFN-UHFFFAOYSA-N 2 2 350.463 1.219 20 30 FDEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000181702744 525900135 /nfs/dbraw/zinc/90/01/35/525900135.db2.gz NPSWRSYPFUOMCS-GOSISDBHSA-N 3 2 355.530 1.748 20 30 FDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000132322218 525956464 /nfs/dbraw/zinc/95/64/64/525956464.db2.gz OBBQPFIWFBTMFV-SFHVURJKSA-N 2 2 366.531 1.547 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324321 536290341 /nfs/dbraw/zinc/29/03/41/536290341.db2.gz FHFGXLYOKNYGGH-NRFANRHFSA-N 2 2 359.514 1.980 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324321 536290342 /nfs/dbraw/zinc/29/03/42/536290342.db2.gz FHFGXLYOKNYGGH-NRFANRHFSA-N 2 2 359.514 1.980 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188324321 536290343 /nfs/dbraw/zinc/29/03/43/536290343.db2.gz FHFGXLYOKNYGGH-NRFANRHFSA-N 2 2 359.514 1.980 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188324321 536290344 /nfs/dbraw/zinc/29/03/44/536290344.db2.gz FHFGXLYOKNYGGH-NRFANRHFSA-N 2 2 359.514 1.980 20 30 FDEDLP COCC[NH+](CCOC)C1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000285439966 537712161 /nfs/dbraw/zinc/71/21/61/537712161.db2.gz HZZNFEZYRSECMV-UHFFFAOYSA-N 2 2 361.486 1.996 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371265889 537797282 /nfs/dbraw/zinc/79/72/82/537797282.db2.gz GLFVZZMUYDFQFE-QZTJIDSGSA-N 2 2 369.513 1.845 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837655 538094484 /nfs/dbraw/zinc/09/44/84/538094484.db2.gz CZQHQDFODAKKPR-QFBILLFUSA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837655 538094485 /nfs/dbraw/zinc/09/44/85/538094485.db2.gz CZQHQDFODAKKPR-QFBILLFUSA-N 2 2 370.497 1.952 20 30 FDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568529026 548575695 /nfs/dbraw/zinc/57/56/95/548575695.db2.gz IWAXRHLAJXCGDD-FQEVSTJZSA-N 2 2 370.497 1.583 20 30 FDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568529026 548575698 /nfs/dbraw/zinc/57/56/98/548575698.db2.gz IWAXRHLAJXCGDD-FQEVSTJZSA-N 2 2 370.497 1.583 20 30 FDEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CCC2 ZINC000572835049 550004628 /nfs/dbraw/zinc/00/46/28/550004628.db2.gz MQGRCSJUERPWOX-OAHLLOKOSA-N 2 2 359.455 1.399 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C[NH3+])C1 ZINC000578423730 550761612 /nfs/dbraw/zinc/76/16/12/550761612.db2.gz XSHFUVOTSCXABV-GFCCVEGCSA-N 2 2 352.236 1.427 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C[NH3+])C1 ZINC000578423730 550761613 /nfs/dbraw/zinc/76/16/13/550761613.db2.gz XSHFUVOTSCXABV-GFCCVEGCSA-N 2 2 352.236 1.427 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579650429 550895849 /nfs/dbraw/zinc/89/58/49/550895849.db2.gz BIRLGJWKCRCVSA-QXAKKESOSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579650429 550895850 /nfs/dbraw/zinc/89/58/50/550895850.db2.gz BIRLGJWKCRCVSA-QXAKKESOSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579650429 550895852 /nfs/dbraw/zinc/89/58/52/550895852.db2.gz BIRLGJWKCRCVSA-QXAKKESOSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579650429 550895853 /nfs/dbraw/zinc/89/58/53/550895853.db2.gz BIRLGJWKCRCVSA-QXAKKESOSA-N 2 2 370.497 1.841 20 30 FDEDLP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000581079708 551049894 /nfs/dbraw/zinc/04/98/94/551049894.db2.gz GPBKXAVGFBCRLP-UHFFFAOYSA-N 2 2 350.488 1.773 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000590243132 551767189 /nfs/dbraw/zinc/76/71/89/551767189.db2.gz LALPPYPBBKZIOG-QGZVFWFLSA-N 2 2 355.486 1.523 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000590243132 551767191 /nfs/dbraw/zinc/76/71/91/551767191.db2.gz LALPPYPBBKZIOG-QGZVFWFLSA-N 2 2 355.486 1.523 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](Cc2cc(C[N@H+]3CC[C@@](O)(CC#N)C3)ccc2F)C1 ZINC000592154514 551950927 /nfs/dbraw/zinc/95/09/27/551950927.db2.gz SDRPRZVVCRYGBB-PMACEKPBSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](Cc2cc(C[N@@H+]3CC[C@@](O)(CC#N)C3)ccc2F)C1 ZINC000592154514 551950928 /nfs/dbraw/zinc/95/09/28/551950928.db2.gz SDRPRZVVCRYGBB-PMACEKPBSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@@](O)(CC#N)C3)c2)C1 ZINC000592154514 551950930 /nfs/dbraw/zinc/95/09/30/551950930.db2.gz SDRPRZVVCRYGBB-PMACEKPBSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@@](O)(CC#N)C3)c2)C1 ZINC000592154514 551950932 /nfs/dbraw/zinc/95/09/32/551950932.db2.gz SDRPRZVVCRYGBB-PMACEKPBSA-N 2 2 372.444 1.527 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3Cc4cccc(C#N)c4C3)C2)CC1 ZINC000593351012 552094245 /nfs/dbraw/zinc/09/42/45/552094245.db2.gz ZMPRHLKPGDYVFD-KRWDZBQOSA-N 2 2 353.470 1.752 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3Cc4cccc(C#N)c4C3)C2)CC1 ZINC000593351012 552094248 /nfs/dbraw/zinc/09/42/48/552094248.db2.gz ZMPRHLKPGDYVFD-KRWDZBQOSA-N 2 2 353.470 1.752 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1C#N ZINC000593535229 552125745 /nfs/dbraw/zinc/12/57/45/552125745.db2.gz TYNNZUYEIPOIGB-UHFFFAOYSA-N 2 2 356.517 1.266 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1C#N ZINC000593535229 552125747 /nfs/dbraw/zinc/12/57/47/552125747.db2.gz TYNNZUYEIPOIGB-UHFFFAOYSA-N 2 2 356.517 1.266 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]3(OCCO)CCOC3)CC2)cc1 ZINC000594974487 552429962 /nfs/dbraw/zinc/42/99/62/552429962.db2.gz KFEMZZCFYZFOJO-HXUWFJFHSA-N 2 2 359.470 1.280 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000595505439 552574529 /nfs/dbraw/zinc/57/45/29/552574529.db2.gz UGQZAICUWLTGEL-ICSRJNTNSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000595505439 552574531 /nfs/dbraw/zinc/57/45/31/552574531.db2.gz UGQZAICUWLTGEL-ICSRJNTNSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000595505439 552574534 /nfs/dbraw/zinc/57/45/34/552574534.db2.gz UGQZAICUWLTGEL-ICSRJNTNSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000595505439 552574537 /nfs/dbraw/zinc/57/45/37/552574537.db2.gz UGQZAICUWLTGEL-ICSRJNTNSA-N 2 2 361.534 1.096 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904185 552631114 /nfs/dbraw/zinc/63/11/14/552631114.db2.gz ACZJMOKWQFGQPI-DLBZAZTESA-N 2 2 350.507 1.760 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904185 552631115 /nfs/dbraw/zinc/63/11/15/552631115.db2.gz ACZJMOKWQFGQPI-DLBZAZTESA-N 2 2 350.507 1.760 20 30 FDEDLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000597990209 552852993 /nfs/dbraw/zinc/85/29/93/552852993.db2.gz RGRAURMIKWYJHD-UHFFFAOYSA-N 2 2 368.485 1.666 20 30 FDEDLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000597990209 552852995 /nfs/dbraw/zinc/85/29/95/552852995.db2.gz RGRAURMIKWYJHD-UHFFFAOYSA-N 2 2 368.485 1.666 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598590843 552912237 /nfs/dbraw/zinc/91/22/37/552912237.db2.gz UKLSPZJJVKUYPV-ROUUACIJSA-N 2 2 352.523 1.014 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1CC#N ZINC000601464546 553413376 /nfs/dbraw/zinc/41/33/76/553413376.db2.gz QIQXIQCTKBCDSD-HNNXBMFYSA-N 2 2 352.504 1.303 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1CC#N ZINC000601464546 553413377 /nfs/dbraw/zinc/41/33/77/553413377.db2.gz QIQXIQCTKBCDSD-HNNXBMFYSA-N 2 2 352.504 1.303 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618824420 555683308 /nfs/dbraw/zinc/68/33/08/555683308.db2.gz RKQBTTZHQZEMMW-LJQANCHMSA-N 2 2 355.486 1.871 20 30 FDEDLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969957964 771118010 /nfs/dbraw/zinc/11/80/10/771118010.db2.gz IFORECXCPDHGLF-SPYBWZPUSA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969957964 771118016 /nfs/dbraw/zinc/11/80/16/771118016.db2.gz IFORECXCPDHGLF-SPYBWZPUSA-N 2 2 356.470 1.214 20 30 FDEDLP C=CCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656317480 774955007 /nfs/dbraw/zinc/95/50/07/774955007.db2.gz XVMRWZHLECSYBL-INIZCTEOSA-N 2 2 350.507 1.134 20 30 FDEDLP C=CCCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656317480 774955009 /nfs/dbraw/zinc/95/50/09/774955009.db2.gz XVMRWZHLECSYBL-INIZCTEOSA-N 2 2 350.507 1.134 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001024506507 784968014 /nfs/dbraw/zinc/96/80/14/784968014.db2.gz MCRZBVRVNLXBNY-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001024506507 784968020 /nfs/dbraw/zinc/96/80/20/784968020.db2.gz MCRZBVRVNLXBNY-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)O1 ZINC001024506507 784968021 /nfs/dbraw/zinc/96/80/21/784968021.db2.gz MCRZBVRVNLXBNY-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)O1 ZINC001024506507 784968026 /nfs/dbraw/zinc/96/80/26/784968026.db2.gz MCRZBVRVNLXBNY-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C=CC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000662734671 802968321 /nfs/dbraw/zinc/96/83/21/802968321.db2.gz RZWCXAWOLXNTRN-XLIONFOSSA-N 2 2 357.502 1.407 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978292858 805343505 /nfs/dbraw/zinc/34/35/05/805343505.db2.gz NLQNANWLVRUUJJ-KSTCHIGDSA-N 2 2 365.275 1.716 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978292858 805343511 /nfs/dbraw/zinc/34/35/11/805343511.db2.gz NLQNANWLVRUUJJ-KSTCHIGDSA-N 2 2 365.275 1.716 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978292858 805343525 /nfs/dbraw/zinc/34/35/25/805343525.db2.gz NLQNANWLVRUUJJ-KSTCHIGDSA-N 2 2 365.275 1.716 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978292858 805343534 /nfs/dbraw/zinc/34/35/34/805343534.db2.gz NLQNANWLVRUUJJ-KSTCHIGDSA-N 2 2 365.275 1.716 20 30 FDEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001087430903 807139636 /nfs/dbraw/zinc/13/96/36/807139636.db2.gz OKDFQHCLWFHDAU-CWJKEVGVSA-N 2 2 369.509 1.703 20 30 FDEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001087430903 807139644 /nfs/dbraw/zinc/13/96/44/807139644.db2.gz OKDFQHCLWFHDAU-CWJKEVGVSA-N 2 2 369.509 1.703 20 30 FDEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001087430903 807139649 /nfs/dbraw/zinc/13/96/49/807139649.db2.gz OKDFQHCLWFHDAU-CWJKEVGVSA-N 2 2 369.509 1.703 20 30 FDEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001087430903 807139657 /nfs/dbraw/zinc/13/96/57/807139657.db2.gz OKDFQHCLWFHDAU-CWJKEVGVSA-N 2 2 369.509 1.703 20 30 FDEDLP C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261959674 811354432 /nfs/dbraw/zinc/35/44/32/811354432.db2.gz JTDUNXHQHJCGCF-PVAVHDDUSA-N 2 2 370.505 1.504 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000261957611 817672846 /nfs/dbraw/zinc/67/28/46/817672846.db2.gz JEPMQMZFLJTSIW-LISAXSMJSA-N 3 2 365.566 1.522 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000261957611 817672849 /nfs/dbraw/zinc/67/28/49/817672849.db2.gz JEPMQMZFLJTSIW-LISAXSMJSA-N 3 2 365.566 1.522 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261957611 817672857 /nfs/dbraw/zinc/67/28/57/817672857.db2.gz JEPMQMZFLJTSIW-LISAXSMJSA-N 3 2 365.566 1.522 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261957611 817672861 /nfs/dbraw/zinc/67/28/61/817672861.db2.gz JEPMQMZFLJTSIW-LISAXSMJSA-N 3 2 365.566 1.522 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087529490 820613734 /nfs/dbraw/zinc/61/37/34/820613734.db2.gz JCUWKOPWXLJTEZ-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1C#N ZINC001087529490 820613738 /nfs/dbraw/zinc/61/37/38/820613738.db2.gz JCUWKOPWXLJTEZ-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1C#N ZINC001087529490 820613740 /nfs/dbraw/zinc/61/37/40/820613740.db2.gz JCUWKOPWXLJTEZ-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1C#N ZINC001087529490 820613743 /nfs/dbraw/zinc/61/37/43/820613743.db2.gz JCUWKOPWXLJTEZ-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001087847734 822583303 /nfs/dbraw/zinc/58/33/03/822583303.db2.gz OJPLYSDJFGRZIT-ZWKOTPCHSA-N 2 2 367.453 1.933 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001087847734 822583306 /nfs/dbraw/zinc/58/33/06/822583306.db2.gz OJPLYSDJFGRZIT-ZWKOTPCHSA-N 2 2 367.453 1.933 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)cc1 ZINC000895408639 822586752 /nfs/dbraw/zinc/58/67/52/822586752.db2.gz YCHDSEGUHSQEIP-UHFFFAOYSA-N 2 2 368.481 1.313 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)c(C)o3)CC[C@@H]2C1 ZINC001087997807 825071968 /nfs/dbraw/zinc/07/19/68/825071968.db2.gz AANRKXQPGRQCMF-QYZOEREBSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)c(C)o3)CC[C@@H]2C1 ZINC001087997807 825071975 /nfs/dbraw/zinc/07/19/75/825071975.db2.gz AANRKXQPGRQCMF-QYZOEREBSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nc(C)c(C)o3)CC[C@@H]2C1 ZINC001087997807 825071980 /nfs/dbraw/zinc/07/19/80/825071980.db2.gz AANRKXQPGRQCMF-QYZOEREBSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nc(C)c(C)o3)CC[C@@H]2C1 ZINC001087997807 825071994 /nfs/dbraw/zinc/07/19/94/825071994.db2.gz AANRKXQPGRQCMF-QYZOEREBSA-N 2 2 370.497 1.669 20 30 FDEDLP CN(C)c1noc(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000330285426 825794903 /nfs/dbraw/zinc/79/49/03/825794903.db2.gz YWSBADWVDACJHZ-UHFFFAOYSA-N 2 2 364.494 1.583 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)s1 ZINC001088219462 827538832 /nfs/dbraw/zinc/53/88/32/827538832.db2.gz DORRGSVYMKVUGH-CABCVRRESA-N 2 2 355.467 1.797 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)s1 ZINC001088219462 827538837 /nfs/dbraw/zinc/53/88/37/827538837.db2.gz DORRGSVYMKVUGH-CABCVRRESA-N 2 2 355.467 1.797 20 30 FDEDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528375902 829369363 /nfs/dbraw/zinc/36/93/63/829369363.db2.gz DPDYJAYPUBMKEX-PMACEKPBSA-N 2 2 372.513 1.400 20 30 FDEDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528375902 829369372 /nfs/dbraw/zinc/36/93/72/829369372.db2.gz DPDYJAYPUBMKEX-PMACEKPBSA-N 2 2 372.513 1.400 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ccc(C#N)nc3)CC2)CC1 ZINC000529499990 829909448 /nfs/dbraw/zinc/90/94/48/829909448.db2.gz RKZCFBYPENBUDL-UHFFFAOYSA-N 2 2 355.486 1.514 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ccc(C#N)nc3)CC2)CC1 ZINC000529499990 829909451 /nfs/dbraw/zinc/90/94/51/829909451.db2.gz RKZCFBYPENBUDL-UHFFFAOYSA-N 2 2 355.486 1.514 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@H]2C)cc1C#N ZINC001088494077 831772645 /nfs/dbraw/zinc/77/26/45/831772645.db2.gz KIALJSGDGNYTSU-JLSDUUJJSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@H]2C)cc1C#N ZINC001088494077 831772652 /nfs/dbraw/zinc/77/26/52/831772652.db2.gz KIALJSGDGNYTSU-JLSDUUJJSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C)cc1C#N ZINC001088494077 831772656 /nfs/dbraw/zinc/77/26/56/831772656.db2.gz KIALJSGDGNYTSU-JLSDUUJJSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)cc1C#N ZINC001088494077 831772663 /nfs/dbraw/zinc/77/26/63/831772663.db2.gz KIALJSGDGNYTSU-JLSDUUJJSA-N 2 2 356.470 1.740 20 30 FDEDLP C[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179226756 836766805 /nfs/dbraw/zinc/76/68/05/836766805.db2.gz CUEHNAPXOLLCCF-DLBZAZTESA-N 2 2 362.522 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459465458 838712440 /nfs/dbraw/zinc/71/24/40/838712440.db2.gz OMEHCLJKQPOLRM-OAHLLOKOSA-N 2 2 367.453 1.757 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105661053 842651853 /nfs/dbraw/zinc/65/18/53/842651853.db2.gz DABGTFMZQUGPLL-SMOSDQRPSA-N 2 2 360.502 1.885 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088815313 845758518 /nfs/dbraw/zinc/75/85/18/845758518.db2.gz JJOOUKAEIGGHEJ-LSTHTHJFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088815313 845758522 /nfs/dbraw/zinc/75/85/22/845758522.db2.gz JJOOUKAEIGGHEJ-LSTHTHJFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088815313 845758528 /nfs/dbraw/zinc/75/85/28/845758528.db2.gz JJOOUKAEIGGHEJ-LSTHTHJFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088815313 845758533 /nfs/dbraw/zinc/75/85/33/845758533.db2.gz JJOOUKAEIGGHEJ-LSTHTHJFSA-N 2 2 370.497 1.746 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@@H]1O ZINC001083535678 846921904 /nfs/dbraw/zinc/92/19/04/846921904.db2.gz FQYOXWRCIYRHFV-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@@H]1O ZINC001083535678 846921910 /nfs/dbraw/zinc/92/19/10/846921910.db2.gz FQYOXWRCIYRHFV-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)c(C)c2)C[C@@H]1O ZINC001083535678 846921914 /nfs/dbraw/zinc/92/19/14/846921914.db2.gz FQYOXWRCIYRHFV-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)c(C)c2)C[C@@H]1O ZINC001083535678 846921920 /nfs/dbraw/zinc/92/19/20/846921920.db2.gz FQYOXWRCIYRHFV-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001076046843 847150088 /nfs/dbraw/zinc/15/00/88/847150088.db2.gz OTXSKMLGVONZAN-QFBILLFUSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001076046843 847150092 /nfs/dbraw/zinc/15/00/92/847150092.db2.gz OTXSKMLGVONZAN-QFBILLFUSA-N 2 2 367.428 1.935 20 30 FDEDLP CC[NH+]1CCN(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000482607568 848387198 /nfs/dbraw/zinc/38/71/98/848387198.db2.gz PWBXCAMNVLTRBI-UHFFFAOYSA-N 2 2 369.513 1.298 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1O ZINC001077159116 849955500 /nfs/dbraw/zinc/95/55/00/849955500.db2.gz PGAXCYGACJHEQQ-CEXWTWQISA-N 2 2 361.530 1.462 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1O ZINC001077159116 849955511 /nfs/dbraw/zinc/95/55/11/849955511.db2.gz PGAXCYGACJHEQQ-CEXWTWQISA-N 2 2 361.530 1.462 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1O ZINC001077159116 849955512 /nfs/dbraw/zinc/95/55/12/849955512.db2.gz PGAXCYGACJHEQQ-CEXWTWQISA-N 2 2 361.530 1.462 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1O ZINC001077159116 849955513 /nfs/dbraw/zinc/95/55/13/849955513.db2.gz PGAXCYGACJHEQQ-CEXWTWQISA-N 2 2 361.530 1.462 20 30 FDEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077280561 850381891 /nfs/dbraw/zinc/38/18/91/850381891.db2.gz DAVUPBYCAAXIQG-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077280561 850381898 /nfs/dbraw/zinc/38/18/98/850381898.db2.gz DAVUPBYCAAXIQG-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077280561 850381906 /nfs/dbraw/zinc/38/19/06/850381906.db2.gz DAVUPBYCAAXIQG-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077280561 850381915 /nfs/dbraw/zinc/38/19/15/850381915.db2.gz DAVUPBYCAAXIQG-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP C=CCc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc(OC)c1O ZINC000486018209 853400164 /nfs/dbraw/zinc/40/01/64/853400164.db2.gz MHVUACGPEIMKCX-QGZVFWFLSA-N 2 2 359.470 1.526 20 30 FDEDLP C=CCc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc(OC)c1O ZINC000486018209 853400171 /nfs/dbraw/zinc/40/01/71/853400171.db2.gz MHVUACGPEIMKCX-QGZVFWFLSA-N 2 2 359.470 1.526 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)O1 ZINC001033186440 881697454 /nfs/dbraw/zinc/69/74/54/881697454.db2.gz WWVJMYIHHKOCQA-JKIFEVAISA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)O1 ZINC001033186440 881697457 /nfs/dbraw/zinc/69/74/57/881697457.db2.gz WWVJMYIHHKOCQA-JKIFEVAISA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001033186440 881697458 /nfs/dbraw/zinc/69/74/58/881697458.db2.gz WWVJMYIHHKOCQA-JKIFEVAISA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001033186440 881697464 /nfs/dbraw/zinc/69/74/64/881697464.db2.gz WWVJMYIHHKOCQA-JKIFEVAISA-N 2 2 362.499 1.372 20 30 FDEDLP C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C)c1 ZINC001089039045 866216619 /nfs/dbraw/zinc/21/66/19/866216619.db2.gz UTVVPVIYKMVEFS-SUMDDJOVSA-N 2 2 368.481 1.137 20 30 FDEDLP C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C)c1 ZINC001089039045 866216634 /nfs/dbraw/zinc/21/66/34/866216634.db2.gz UTVVPVIYKMVEFS-SUMDDJOVSA-N 2 2 368.481 1.137 20 30 FDEDLP C#Cc1cccc(NC(=O)C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)c1 ZINC001089039045 866216649 /nfs/dbraw/zinc/21/66/49/866216649.db2.gz UTVVPVIYKMVEFS-SUMDDJOVSA-N 2 2 368.481 1.137 20 30 FDEDLP C#Cc1cccc(NC(=O)C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)c1 ZINC001089039045 866216667 /nfs/dbraw/zinc/21/66/67/866216667.db2.gz UTVVPVIYKMVEFS-SUMDDJOVSA-N 2 2 368.481 1.137 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672781954 871707007 /nfs/dbraw/zinc/70/70/07/871707007.db2.gz UFSQKSZGVJLYMO-WMZOPIPTSA-N 2 2 364.534 1.474 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672781954 871707014 /nfs/dbraw/zinc/70/70/14/871707014.db2.gz UFSQKSZGVJLYMO-WMZOPIPTSA-N 2 2 364.534 1.474 20 30 FDEDLP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461637 875474036 /nfs/dbraw/zinc/47/40/36/875474036.db2.gz HMAZJFURUXRQMA-TZMCWYRMSA-N 2 2 369.307 1.945 20 30 FDEDLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083168957 912435376 /nfs/dbraw/zinc/43/53/76/912435376.db2.gz VVPJCDJHOHNGJW-SLFFLAALSA-N 2 2 368.481 1.454 20 30 FDEDLP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083168957 912435380 /nfs/dbraw/zinc/43/53/80/912435380.db2.gz VVPJCDJHOHNGJW-SLFFLAALSA-N 2 2 368.481 1.454 20 30 FDEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083168957 912435384 /nfs/dbraw/zinc/43/53/84/912435384.db2.gz VVPJCDJHOHNGJW-SLFFLAALSA-N 2 2 368.481 1.454 20 30 FDEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083168957 912435395 /nfs/dbraw/zinc/43/53/95/912435395.db2.gz VVPJCDJHOHNGJW-SLFFLAALSA-N 2 2 368.481 1.454 20 30 FDEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033905512 883435942 /nfs/dbraw/zinc/43/59/42/883435942.db2.gz APFRKHUINRIEDW-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033905512 883435949 /nfs/dbraw/zinc/43/59/49/883435949.db2.gz APFRKHUINRIEDW-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001034270811 884055514 /nfs/dbraw/zinc/05/55/14/884055514.db2.gz DLEUTVTWRIDOSW-HLAWJBBLSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001034270811 884055532 /nfs/dbraw/zinc/05/55/32/884055532.db2.gz DLEUTVTWRIDOSW-HLAWJBBLSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001034270811 884055552 /nfs/dbraw/zinc/05/55/52/884055552.db2.gz DLEUTVTWRIDOSW-HLAWJBBLSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001034270811 884055569 /nfs/dbraw/zinc/05/55/69/884055569.db2.gz DLEUTVTWRIDOSW-HLAWJBBLSA-N 2 2 369.509 1.728 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271980 887105525 /nfs/dbraw/zinc/10/55/25/887105525.db2.gz UCFJVTNKCIUBJS-KONPQCLYSA-N 2 2 369.473 1.123 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271980 887105531 /nfs/dbraw/zinc/10/55/31/887105531.db2.gz UCFJVTNKCIUBJS-KONPQCLYSA-N 2 2 369.473 1.123 20 30 FDEDLP Cn1nnc2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000922989957 887686225 /nfs/dbraw/zinc/68/62/25/887686225.db2.gz BSNXFDBFGPKZAY-GOSISDBHSA-N 2 2 350.470 1.798 20 30 FDEDLP Cn1cccc1C(O)=CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181836589 891562201 /nfs/dbraw/zinc/56/22/01/891562201.db2.gz AQBSXAUFQMCJHW-GOSISDBHSA-N 2 2 356.426 1.398 20 30 FDEDLP Cn1cccc1C(O)=CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181836589 891562215 /nfs/dbraw/zinc/56/22/15/891562215.db2.gz AQBSXAUFQMCJHW-GOSISDBHSA-N 2 2 356.426 1.398 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231492 913776920 /nfs/dbraw/zinc/77/69/20/913776920.db2.gz BXJFPAGELCUXDC-BHIYHBOVSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231492 913776924 /nfs/dbraw/zinc/77/69/24/913776924.db2.gz BXJFPAGELCUXDC-BHIYHBOVSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084231492 913776926 /nfs/dbraw/zinc/77/69/26/913776926.db2.gz BXJFPAGELCUXDC-BHIYHBOVSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084231492 913776930 /nfs/dbraw/zinc/77/69/30/913776930.db2.gz BXJFPAGELCUXDC-BHIYHBOVSA-N 2 2 368.481 1.694 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001107044666 900089135 /nfs/dbraw/zinc/08/91/35/900089135.db2.gz LDSWCVXOTLOJJM-BHIYHBOVSA-N 2 2 360.502 1.571 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079134751 901998794 /nfs/dbraw/zinc/99/87/94/901998794.db2.gz PLOHZBZZHIOWEH-PWRODBHTSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079134751 901998797 /nfs/dbraw/zinc/99/87/97/901998797.db2.gz PLOHZBZZHIOWEH-PWRODBHTSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079134751 901998803 /nfs/dbraw/zinc/99/88/03/901998803.db2.gz PLOHZBZZHIOWEH-PWRODBHTSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079134751 901998809 /nfs/dbraw/zinc/99/88/09/901998809.db2.gz PLOHZBZZHIOWEH-PWRODBHTSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)[C@@H]3COC[C@@H]32)CC1 ZINC001079251439 902273141 /nfs/dbraw/zinc/27/31/41/902273141.db2.gz XJEXHLFOIDXOAQ-FUHWJXTLSA-N 2 2 364.449 1.521 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C ZINC001079878009 903600697 /nfs/dbraw/zinc/60/06/97/903600697.db2.gz ATUCJQQFYLQBCJ-RLLQIKCJSA-N 2 2 361.530 1.727 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C ZINC001079878009 903600720 /nfs/dbraw/zinc/60/07/20/903600720.db2.gz ATUCJQQFYLQBCJ-RLLQIKCJSA-N 2 2 361.530 1.727 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1C ZINC001079878009 903600734 /nfs/dbraw/zinc/60/07/34/903600734.db2.gz ATUCJQQFYLQBCJ-RLLQIKCJSA-N 2 2 361.530 1.727 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1C ZINC001079878009 903600743 /nfs/dbraw/zinc/60/07/43/903600743.db2.gz ATUCJQQFYLQBCJ-RLLQIKCJSA-N 2 2 361.530 1.727 20 30 FDEDLP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991464 903821487 /nfs/dbraw/zinc/82/14/87/903821487.db2.gz JBTCZLNTNXGSKN-SLYNCCJLSA-N 2 2 362.477 1.934 20 30 FDEDLP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991464 903821513 /nfs/dbraw/zinc/82/15/13/903821513.db2.gz JBTCZLNTNXGSKN-SLYNCCJLSA-N 2 2 362.477 1.934 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787730 906313059 /nfs/dbraw/zinc/31/30/59/906313059.db2.gz PKQPDUOCWASMKV-RDTXWAMCSA-N 2 2 356.445 1.730 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787730 906313077 /nfs/dbraw/zinc/31/30/77/906313077.db2.gz PKQPDUOCWASMKV-RDTXWAMCSA-N 2 2 356.445 1.730 20 30 FDEDLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082673443 909513472 /nfs/dbraw/zinc/51/34/72/909513472.db2.gz OJZBRQBXHOPFIA-RDTXWAMCSA-N 2 2 355.417 1.921 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403089 911164074 /nfs/dbraw/zinc/16/40/74/911164074.db2.gz BPQRTFBZEBROKF-RTBURBONSA-N 2 2 355.482 1.338 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403089 911164099 /nfs/dbraw/zinc/16/40/99/911164099.db2.gz BPQRTFBZEBROKF-RTBURBONSA-N 2 2 355.482 1.338 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083139947 912146558 /nfs/dbraw/zinc/14/65/58/912146558.db2.gz CWISMACLOZMHLN-ZWKOTPCHSA-N 2 2 353.426 1.369 20 30 FDEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083139947 912146568 /nfs/dbraw/zinc/14/65/68/912146568.db2.gz CWISMACLOZMHLN-ZWKOTPCHSA-N 2 2 353.426 1.369 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084523701 915175208 /nfs/dbraw/zinc/17/52/08/915175208.db2.gz RXAXSXCKRRRCMY-RHSMWYFYSA-N 2 2 355.467 1.858 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084523701 915175218 /nfs/dbraw/zinc/17/52/18/915175218.db2.gz RXAXSXCKRRRCMY-RHSMWYFYSA-N 2 2 355.467 1.858 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084844428 917614479 /nfs/dbraw/zinc/61/44/79/917614479.db2.gz SPXIFAVEJKYCRB-VAMGGRTRSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084844428 917614484 /nfs/dbraw/zinc/61/44/84/917614484.db2.gz SPXIFAVEJKYCRB-VAMGGRTRSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084844428 917614489 /nfs/dbraw/zinc/61/44/89/917614489.db2.gz SPXIFAVEJKYCRB-VAMGGRTRSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084844428 917614491 /nfs/dbraw/zinc/61/44/91/917614491.db2.gz SPXIFAVEJKYCRB-VAMGGRTRSA-N 2 2 368.481 1.312 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(C)cn4)C[C@H]32)CC1 ZINC001084851262 917660202 /nfs/dbraw/zinc/66/02/02/917660202.db2.gz UPGMLZAOFRIYJZ-UYAOXDASSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(C)cn4)C[C@H]32)CC1 ZINC001084851262 917660212 /nfs/dbraw/zinc/66/02/12/917660212.db2.gz UPGMLZAOFRIYJZ-UYAOXDASSA-N 2 2 367.497 1.163 20 30 FDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085281636 923483037 /nfs/dbraw/zinc/48/30/37/923483037.db2.gz CFZSCTPHYLGCPK-TVFCKZIOSA-N 2 2 351.491 1.069 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000737981725 925070651 /nfs/dbraw/zinc/07/06/51/925070651.db2.gz WXQYZNXGNVYJOW-FQEVSTJZSA-N 2 2 354.498 1.365 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000737981725 925070658 /nfs/dbraw/zinc/07/06/58/925070658.db2.gz WXQYZNXGNVYJOW-FQEVSTJZSA-N 2 2 354.498 1.365 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000741699613 925834052 /nfs/dbraw/zinc/83/40/52/925834052.db2.gz VDJHYQHWESFFQV-ICSRJNTNSA-N 2 2 354.498 1.411 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000741699613 925834062 /nfs/dbraw/zinc/83/40/62/925834062.db2.gz VDJHYQHWESFFQV-ICSRJNTNSA-N 2 2 354.498 1.411 20 30 FDEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671544 930105843 /nfs/dbraw/zinc/10/58/43/930105843.db2.gz ORPFOEGEFXFRDA-OWSLCNJRSA-N 2 2 359.474 1.145 20 30 FDEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671544 930105850 /nfs/dbraw/zinc/10/58/50/930105850.db2.gz ORPFOEGEFXFRDA-OWSLCNJRSA-N 2 2 359.474 1.145 20 30 FDEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001109671544 930105853 /nfs/dbraw/zinc/10/58/53/930105853.db2.gz ORPFOEGEFXFRDA-OWSLCNJRSA-N 2 2 359.474 1.145 20 30 FDEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001109671544 930105864 /nfs/dbraw/zinc/10/58/64/930105864.db2.gz ORPFOEGEFXFRDA-OWSLCNJRSA-N 2 2 359.474 1.145 20 30 FDEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001114296802 938393088 /nfs/dbraw/zinc/39/30/88/938393088.db2.gz VIVCRPLOQBPLMK-KLBVCGFUSA-N 2 2 370.497 1.403 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001114296802 938393093 /nfs/dbraw/zinc/39/30/93/938393093.db2.gz VIVCRPLOQBPLMK-KLBVCGFUSA-N 2 2 370.497 1.403 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000891 938608353 /nfs/dbraw/zinc/60/83/53/938608353.db2.gz VGXQQHQTNMKJHM-OIISXLGYSA-N 2 2 369.473 1.429 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130685358 939975355 /nfs/dbraw/zinc/97/53/55/939975355.db2.gz PVDPSOZOVGSDOU-QILLFSRXSA-N 2 2 356.474 1.625 20 30 FDEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[NH+](CC)CC)n[nH]2)O1 ZINC001130811899 940205591 /nfs/dbraw/zinc/20/55/91/940205591.db2.gz QWYXZDCOSCZGEY-LSDHHAIUSA-N 2 2 364.494 1.149 20 30 FDEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001131313358 940553021 /nfs/dbraw/zinc/55/30/21/940553021.db2.gz PCDBJFUBNUAPIR-BBWFWOEESA-N 2 2 364.490 1.010 20 30 FDEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001131313358 940553023 /nfs/dbraw/zinc/55/30/23/940553023.db2.gz PCDBJFUBNUAPIR-BBWFWOEESA-N 2 2 364.490 1.010 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737020 952764520 /nfs/dbraw/zinc/76/45/20/952764520.db2.gz HDADDYGOGYOEEW-RYRKJORJSA-N 2 2 365.909 1.346 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737020 952764521 /nfs/dbraw/zinc/76/45/21/952764521.db2.gz HDADDYGOGYOEEW-RYRKJORJSA-N 2 2 365.909 1.346 20 30 FDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883372 953517220 /nfs/dbraw/zinc/51/72/20/953517220.db2.gz HNJSYFKWGWUNRX-DYXWJJEUSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883372 953517224 /nfs/dbraw/zinc/51/72/24/953517224.db2.gz HNJSYFKWGWUNRX-DYXWJJEUSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883372 953517234 /nfs/dbraw/zinc/51/72/34/953517234.db2.gz HNJSYFKWGWUNRX-DYXWJJEUSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883372 953517238 /nfs/dbraw/zinc/51/72/38/953517238.db2.gz HNJSYFKWGWUNRX-DYXWJJEUSA-N 2 2 359.514 1.291 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952036 953831648 /nfs/dbraw/zinc/83/16/48/953831648.db2.gz DAIAKXAPGJWEMV-NUJGCVRESA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952036 953831652 /nfs/dbraw/zinc/83/16/52/953831652.db2.gz DAIAKXAPGJWEMV-NUJGCVRESA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952036 953831668 /nfs/dbraw/zinc/83/16/68/953831668.db2.gz DAIAKXAPGJWEMV-NUJGCVRESA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952036 953831679 /nfs/dbraw/zinc/83/16/79/953831679.db2.gz DAIAKXAPGJWEMV-NUJGCVRESA-N 2 2 355.910 1.628 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001094074835 959703245 /nfs/dbraw/zinc/70/32/45/959703245.db2.gz OEPIJIPUYGUPAQ-CZUORRHYSA-N 2 2 355.417 1.847 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161372 961107554 /nfs/dbraw/zinc/10/75/54/961107554.db2.gz CINKZOUHDKFRHC-VUHPKUFZSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161372 961107562 /nfs/dbraw/zinc/10/75/62/961107562.db2.gz CINKZOUHDKFRHC-VUHPKUFZSA-N 2 2 362.518 1.131 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(OCC#N)cc1 ZINC001095240856 962521919 /nfs/dbraw/zinc/52/19/19/962521919.db2.gz HARCXSRVIXNQAJ-BTHPGYMESA-N 2 2 368.481 1.905 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(OCC#N)cc1 ZINC001095240856 962521939 /nfs/dbraw/zinc/52/19/39/962521939.db2.gz HARCXSRVIXNQAJ-BTHPGYMESA-N 2 2 368.481 1.905 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001095240856 962521963 /nfs/dbraw/zinc/52/19/63/962521963.db2.gz HARCXSRVIXNQAJ-BTHPGYMESA-N 2 2 368.481 1.905 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001095240856 962521970 /nfs/dbraw/zinc/52/19/70/962521970.db2.gz HARCXSRVIXNQAJ-BTHPGYMESA-N 2 2 368.481 1.905 20 30 FDEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179097493 964718369 /nfs/dbraw/zinc/71/83/69/964718369.db2.gz JXZWITJKTMYKLN-MOPGFXCFSA-N 2 2 367.534 1.709 20 30 FDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198777464 973510985 /nfs/dbraw/zinc/51/09/85/973510985.db2.gz ZVCNEBZGMZABGP-HHXXYDBFSA-N 2 2 361.486 1.737 20 30 FDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198777464 973510995 /nfs/dbraw/zinc/51/09/95/973510995.db2.gz ZVCNEBZGMZABGP-HHXXYDBFSA-N 2 2 361.486 1.737 20 30 FDEDLP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866373990 975579769 /nfs/dbraw/zinc/57/97/69/975579769.db2.gz YXUGNRFMXCDLGE-INIZCTEOSA-N 2 2 358.486 1.711 20 30 FDEDLP CN(C)c1ccccc1CN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000794948995 976051947 /nfs/dbraw/zinc/05/19/47/976051947.db2.gz IKTMPBHYNFCYKQ-UHFFFAOYSA-N 2 2 353.474 1.418 20 30 FDEDLP C[N@H+](CCCn1cc[nH+]c1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000130602639 981846629 /nfs/dbraw/zinc/84/66/29/981846629.db2.gz UNZSRZOAHSXINJ-UHFFFAOYSA-N 2 2 366.425 1.499 20 30 FDEDLP C[N@@H+](CCCn1cc[nH+]c1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000130602639 981846635 /nfs/dbraw/zinc/84/66/35/981846635.db2.gz UNZSRZOAHSXINJ-UHFFFAOYSA-N 2 2 366.425 1.499 20 30 FDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000883131232 981968854 /nfs/dbraw/zinc/96/88/54/981968854.db2.gz QKQQNCFDFKAACC-UHFFFAOYSA-N 2 2 374.304 1.141 20 30 FDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000883131232 981968858 /nfs/dbraw/zinc/96/88/58/981968858.db2.gz QKQQNCFDFKAACC-UHFFFAOYSA-N 2 2 374.304 1.141 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cc[nH+]c(N3CCCCC3)c1)C2 ZINC000884183422 982959296 /nfs/dbraw/zinc/95/92/96/982959296.db2.gz MRIARUUYBZASEG-GNZRSQJKSA-N 2 2 353.470 1.827 20 30 FDEDLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884224791 982998518 /nfs/dbraw/zinc/99/85/18/982998518.db2.gz ZBEOIDZQNHKAIA-WBTXTPOCSA-N 2 2 368.481 1.905 20 30 FDEDLP C#CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC000886573593 986372215 /nfs/dbraw/zinc/37/22/15/986372215.db2.gz OHGJPHNSRSPLNA-FQEVSTJZSA-N 2 2 355.482 1.826 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(CC#N)ccn3)CC2)CC1 ZINC000871721840 987209067 /nfs/dbraw/zinc/20/90/67/987209067.db2.gz CFZAWRXFULIOGE-UHFFFAOYSA-N 2 2 356.474 1.828 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000362308611 988630346 /nfs/dbraw/zinc/63/03/46/988630346.db2.gz GDGDJPHVKMWSMM-WCIQWLHISA-N 2 2 373.545 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000362308611 988630350 /nfs/dbraw/zinc/63/03/50/988630350.db2.gz GDGDJPHVKMWSMM-WCIQWLHISA-N 2 2 373.545 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000362308611 988630356 /nfs/dbraw/zinc/63/03/56/988630356.db2.gz GDGDJPHVKMWSMM-WCIQWLHISA-N 2 2 373.545 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000362308611 988630363 /nfs/dbraw/zinc/63/03/63/988630363.db2.gz GDGDJPHVKMWSMM-WCIQWLHISA-N 2 2 373.545 1.095 20 30 FDEDLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1 ZINC000369156750 989031754 /nfs/dbraw/zinc/03/17/54/989031754.db2.gz PVUFIHJOSUACAT-HXUWFJFHSA-N 2 2 361.534 1.287 20 30 FDEDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000371508492 990488926 /nfs/dbraw/zinc/48/89/26/990488926.db2.gz JUKMDHXWLOTZMY-IEBWSBKVSA-N 2 2 358.486 1.646 20 30 FDEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371664464 990609258 /nfs/dbraw/zinc/60/92/58/990609258.db2.gz UFWPFGONPBLCSV-FQEVSTJZSA-N 2 2 371.529 1.533 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000876738582 992856107 /nfs/dbraw/zinc/85/61/07/992856107.db2.gz HMWSATKSCRYOLV-KRWDZBQOSA-N 2 2 367.877 1.484 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000876769767 992892672 /nfs/dbraw/zinc/89/26/72/992892672.db2.gz ZOMHLQZRYPCOIM-CABCVRRESA-N 2 2 351.882 1.178 20 30 FDEDLP CN(C(=O)Cc1ccccc1CC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000777399352 999061043 /nfs/dbraw/zinc/06/10/43/999061043.db2.gz NOHBJLMWBLXKTC-HXUWFJFHSA-N 2 2 354.498 1.922 20 30 FDEDLP CN(C(=O)Cc1ccccc1CC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000777399352 999061049 /nfs/dbraw/zinc/06/10/49/999061049.db2.gz NOHBJLMWBLXKTC-HXUWFJFHSA-N 2 2 354.498 1.922 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000286698235 999946281 /nfs/dbraw/zinc/94/62/81/999946281.db2.gz PTHAKDAADXZLGF-DOTOQJQBSA-N 2 2 359.474 1.059 20 30 FDEDLP C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123677 1003015437 /nfs/dbraw/zinc/01/54/37/1003015437.db2.gz IAUZUKYSIMRLEK-HZPDHXFCSA-N 2 2 371.909 1.151 20 30 FDEDLP C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123677 1003015452 /nfs/dbraw/zinc/01/54/52/1003015452.db2.gz IAUZUKYSIMRLEK-HZPDHXFCSA-N 2 2 371.909 1.151 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217467 1006926469 /nfs/dbraw/zinc/92/64/69/1006926469.db2.gz ZDLHZAJMDXEROR-KURKYZTESA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217467 1006926474 /nfs/dbraw/zinc/92/64/74/1006926474.db2.gz ZDLHZAJMDXEROR-KURKYZTESA-N 2 2 362.518 1.131 20 30 FDEDLP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000530768401 540039194 /nfs/dbraw/zinc/03/91/94/540039194.db2.gz BMRFIYWKVMLVQB-IBGZPJMESA-N 2 2 355.486 1.727 20 30 FDEDLP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000530768401 540039197 /nfs/dbraw/zinc/03/91/97/540039197.db2.gz BMRFIYWKVMLVQB-IBGZPJMESA-N 2 2 355.486 1.727 20 30 FDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000539516114 540968229 /nfs/dbraw/zinc/96/82/29/540968229.db2.gz WZTXAZSVUBCLSZ-NRFANRHFSA-N 2 2 361.449 1.933 20 30 FDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000539516114 540968232 /nfs/dbraw/zinc/96/82/32/540968232.db2.gz WZTXAZSVUBCLSZ-NRFANRHFSA-N 2 2 361.449 1.933 20 30 FDEDLP COC(=O)c1cn(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000284176145 182390156 /nfs/dbraw/zinc/39/01/56/182390156.db2.gz AELDWBQXGMZNDZ-UHFFFAOYSA-N 2 2 368.441 1.191 20 30 FDEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000546209235 542125281 /nfs/dbraw/zinc/12/52/81/542125281.db2.gz FQTAQEQCRPEGQH-UHFFFAOYSA-N 2 2 370.501 1.064 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](C[NH3+])C1 ZINC000557025471 544235652 /nfs/dbraw/zinc/23/56/52/544235652.db2.gz AVMQJLCVWDTSIC-MRXNPFEDSA-N 2 2 366.425 1.852 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](C[NH3+])C1 ZINC000557025471 544235653 /nfs/dbraw/zinc/23/56/53/544235653.db2.gz AVMQJLCVWDTSIC-MRXNPFEDSA-N 2 2 366.425 1.852 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000558296343 544408220 /nfs/dbraw/zinc/40/82/20/544408220.db2.gz WVWQIILIFCOOQU-INIZCTEOSA-N 2 2 373.476 1.440 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329123268 259078971 /nfs/dbraw/zinc/07/89/71/259078971.db2.gz XCSNGUIEIKSXCP-IAGOWNOFSA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329123268 259078972 /nfs/dbraw/zinc/07/89/72/259078972.db2.gz XCSNGUIEIKSXCP-IAGOWNOFSA-N 2 2 370.497 1.952 20 30 FDEDLP N#CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000057875206 522175279 /nfs/dbraw/zinc/17/52/79/522175279.db2.gz RLGQANZUDIALKL-UHFFFAOYSA-N 2 2 368.481 1.501 20 30 FDEDLP C=CCc1cc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc(OC)c1O ZINC000093046719 524948290 /nfs/dbraw/zinc/94/82/90/524948290.db2.gz RWUSAMICPLNAPP-UHFFFAOYSA-N 2 2 373.497 1.869 20 30 FDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247322406 537108058 /nfs/dbraw/zinc/10/80/58/537108058.db2.gz SRPKMDMSJJFPFS-ZWKOTPCHSA-N 2 2 354.454 1.986 20 30 FDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247322406 537108060 /nfs/dbraw/zinc/10/80/60/537108060.db2.gz SRPKMDMSJJFPFS-ZWKOTPCHSA-N 2 2 354.454 1.986 20 30 FDEDLP C=CCN1CC[C@H]([NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000286008674 537401016 /nfs/dbraw/zinc/40/10/16/537401016.db2.gz PGTUTZANQBPPCA-SFTDATJTSA-N 2 2 368.525 1.665 20 30 FDEDLP C=CCN1CC[C@H]([NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000286008674 537401023 /nfs/dbraw/zinc/40/10/23/537401023.db2.gz PGTUTZANQBPPCA-SFTDATJTSA-N 2 2 368.525 1.665 20 30 FDEDLP CC(C)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCN(C)CC1 ZINC000304511184 537598442 /nfs/dbraw/zinc/59/84/42/537598442.db2.gz WYZIHIQMFJARHI-ZWKOTPCHSA-N 2 2 359.518 1.687 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)CC1 ZINC000371343191 537820571 /nfs/dbraw/zinc/82/05/71/537820571.db2.gz FTCJPNRECFWDED-FQEVSTJZSA-N 2 2 363.550 1.531 20 30 FDEDLP CN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367116722 537940728 /nfs/dbraw/zinc/94/07/28/537940728.db2.gz GWGGZNVCVMPFJE-LJQANCHMSA-N 2 2 355.486 1.597 20 30 FDEDLP CN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367116722 537940732 /nfs/dbraw/zinc/94/07/32/537940732.db2.gz GWGGZNVCVMPFJE-LJQANCHMSA-N 2 2 355.486 1.597 20 30 FDEDLP C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116722 537940736 /nfs/dbraw/zinc/94/07/36/537940736.db2.gz GWGGZNVCVMPFJE-LJQANCHMSA-N 2 2 355.486 1.597 20 30 FDEDLP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116722 537940741 /nfs/dbraw/zinc/94/07/41/537940741.db2.gz GWGGZNVCVMPFJE-LJQANCHMSA-N 2 2 355.486 1.597 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000367615949 537967238 /nfs/dbraw/zinc/96/72/38/537967238.db2.gz FAPQAXKVPPQZNM-GOSISDBHSA-N 2 2 358.490 1.281 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000367615949 537967241 /nfs/dbraw/zinc/96/72/41/537967241.db2.gz FAPQAXKVPPQZNM-GOSISDBHSA-N 2 2 358.490 1.281 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459473487 538686323 /nfs/dbraw/zinc/68/63/23/538686323.db2.gz WMJFZVILCKYILN-UHFFFAOYSA-N 2 2 353.426 1.369 20 30 FDEDLP COCCC[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000563709178 546655284 /nfs/dbraw/zinc/65/52/84/546655284.db2.gz QNTLLLSXSPUIGI-UHFFFAOYSA-N 2 2 365.499 1.422 20 30 FDEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000585727562 551588309 /nfs/dbraw/zinc/58/83/09/551588309.db2.gz WDWOBCOGRPGANB-IAGOWNOFSA-N 2 2 372.517 1.363 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000591305218 551859625 /nfs/dbraw/zinc/85/96/25/551859625.db2.gz IBMOHLITOJTPCE-GFCCVEGCSA-N 2 2 357.336 1.563 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000591305218 551859626 /nfs/dbraw/zinc/85/96/26/551859626.db2.gz IBMOHLITOJTPCE-GFCCVEGCSA-N 2 2 357.336 1.563 20 30 FDEDLP N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000592152560 551950493 /nfs/dbraw/zinc/95/04/93/551950493.db2.gz ZWMFBZUGUIVZMP-LJQANCHMSA-N 2 2 374.510 1.524 20 30 FDEDLP N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000592152560 551950494 /nfs/dbraw/zinc/95/04/94/551950494.db2.gz ZWMFBZUGUIVZMP-LJQANCHMSA-N 2 2 374.510 1.524 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150657 551950774 /nfs/dbraw/zinc/95/07/74/551950774.db2.gz FXSYFMGHJXMLEZ-POAQFYNOSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150657 551950776 /nfs/dbraw/zinc/95/07/76/551950776.db2.gz FXSYFMGHJXMLEZ-POAQFYNOSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](O)(CC#N)C1 ZINC000592150657 551950778 /nfs/dbraw/zinc/95/07/78/551950778.db2.gz FXSYFMGHJXMLEZ-POAQFYNOSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](O)(CC#N)C1 ZINC000592150657 551950780 /nfs/dbraw/zinc/95/07/80/551950780.db2.gz FXSYFMGHJXMLEZ-POAQFYNOSA-N 2 2 356.470 1.116 20 30 FDEDLP Cc1cc(N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000594441703 552310881 /nfs/dbraw/zinc/31/08/81/552310881.db2.gz VLELHENVVKZZBA-MRXNPFEDSA-N 2 2 358.490 1.968 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594803444 552391010 /nfs/dbraw/zinc/39/10/10/552391010.db2.gz NJISEGBQOSLYND-ZDUSSCGKSA-N 2 2 372.922 1.762 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594803444 552391012 /nfs/dbraw/zinc/39/10/12/552391012.db2.gz NJISEGBQOSLYND-ZDUSSCGKSA-N 2 2 372.922 1.762 20 30 FDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599424283 553054301 /nfs/dbraw/zinc/05/43/01/553054301.db2.gz MJBQATYFULZRQO-AEFFLSMTSA-N 2 2 351.491 1.243 20 30 FDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599424283 553054303 /nfs/dbraw/zinc/05/43/03/553054303.db2.gz MJBQATYFULZRQO-AEFFLSMTSA-N 2 2 351.491 1.243 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000602545776 553603879 /nfs/dbraw/zinc/60/38/79/553603879.db2.gz PUCLIMGTAGIZFI-MSOLQXFVSA-N 2 2 350.507 1.081 20 30 FDEDLP N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602845959 553648939 /nfs/dbraw/zinc/64/89/39/553648939.db2.gz NTXSXOMVRCWYEH-UHFFFAOYSA-N 2 2 370.478 1.939 20 30 FDEDLP N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602845959 553648940 /nfs/dbraw/zinc/64/89/40/553648940.db2.gz NTXSXOMVRCWYEH-UHFFFAOYSA-N 2 2 370.478 1.939 20 30 FDEDLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)N1CC#N ZINC000602852276 553651277 /nfs/dbraw/zinc/65/12/77/553651277.db2.gz ARGYICSRWNNHLV-ZIFCJYIRSA-N 2 2 357.502 1.324 20 30 FDEDLP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)N1CC#N ZINC000602852276 553651279 /nfs/dbraw/zinc/65/12/79/553651279.db2.gz ARGYICSRWNNHLV-ZIFCJYIRSA-N 2 2 357.502 1.324 20 30 FDEDLP Cc1ccc(C#N)cc1S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000609637300 554406542 /nfs/dbraw/zinc/40/65/42/554406542.db2.gz MZNAIISCPDCYBP-UHFFFAOYSA-N 2 2 371.466 1.814 20 30 FDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@H](C)O2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634340533 558452925 /nfs/dbraw/zinc/45/29/25/558452925.db2.gz RGUGWKRGGMNCHG-BBWFWOEESA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@H](C)O2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634340533 558452929 /nfs/dbraw/zinc/45/29/29/558452929.db2.gz RGUGWKRGGMNCHG-BBWFWOEESA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000634340533 558452930 /nfs/dbraw/zinc/45/29/30/558452930.db2.gz RGUGWKRGGMNCHG-BBWFWOEESA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000634340533 558452932 /nfs/dbraw/zinc/45/29/32/558452932.db2.gz RGUGWKRGGMNCHG-BBWFWOEESA-N 2 2 362.522 1.632 20 30 FDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262802244 672850624 /nfs/dbraw/zinc/85/06/24/672850624.db2.gz RLGGONJRIZPGPO-QGZVFWFLSA-N 3 2 353.580 1.418 20 30 FDEDLP COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC000264126875 672901956 /nfs/dbraw/zinc/90/19/56/672901956.db2.gz SKPCXSBHWCVLGU-OAHLLOKOSA-N 2 2 350.463 1.787 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)CCc1ccccc1 ZINC000283795473 675661633 /nfs/dbraw/zinc/66/16/33/675661633.db2.gz MXDYVJXISUNTCS-KRWDZBQOSA-N 2 2 366.531 1.033 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)CCc1ccccc1 ZINC000283795473 675661635 /nfs/dbraw/zinc/66/16/35/675661635.db2.gz MXDYVJXISUNTCS-KRWDZBQOSA-N 2 2 366.531 1.033 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376327847 678275879 /nfs/dbraw/zinc/27/58/79/678275879.db2.gz NAJOQXVPPVWCKV-WMZOPIPTSA-N 2 2 350.507 1.532 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2C#N)O1 ZINC001024506421 784967971 /nfs/dbraw/zinc/96/79/71/784967971.db2.gz LQXFPMOAZOBAER-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2C#N)O1 ZINC001024506421 784967987 /nfs/dbraw/zinc/96/79/87/784967987.db2.gz LQXFPMOAZOBAER-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)O1 ZINC001024506421 784967992 /nfs/dbraw/zinc/96/79/92/784967992.db2.gz LQXFPMOAZOBAER-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)O1 ZINC001024506421 784967995 /nfs/dbraw/zinc/96/79/95/784967995.db2.gz LQXFPMOAZOBAER-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)CC[C@@H]1c1ccccc1 ZINC001087429835 807017148 /nfs/dbraw/zinc/01/71/48/807017148.db2.gz GJIWQNRUOZSEIG-NJYVYQBISA-N 2 2 369.509 1.441 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)CC[C@@H]1c1ccccc1 ZINC001087429835 807017154 /nfs/dbraw/zinc/01/71/54/807017154.db2.gz GJIWQNRUOZSEIG-NJYVYQBISA-N 2 2 369.509 1.441 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)CC[C@@H]1c1ccccc1 ZINC001087429835 807017162 /nfs/dbraw/zinc/01/71/62/807017162.db2.gz GJIWQNRUOZSEIG-NJYVYQBISA-N 2 2 369.509 1.441 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)CC[C@@H]1c1ccccc1 ZINC001087429835 807017170 /nfs/dbraw/zinc/01/71/70/807017170.db2.gz GJIWQNRUOZSEIG-NJYVYQBISA-N 2 2 369.509 1.441 20 30 FDEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211696584 807205735 /nfs/dbraw/zinc/20/57/35/807205735.db2.gz KTSLSYSPVLUQOD-ZWKOTPCHSA-N 2 2 352.438 1.186 20 30 FDEDLP N#Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C(N)=O)cc1 ZINC000513448029 811523644 /nfs/dbraw/zinc/52/36/44/811523644.db2.gz PTIHVFVEIYJSLE-UXHICEINSA-N 2 2 364.449 1.441 20 30 FDEDLP N#Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C(N)=O)cc1 ZINC000513448029 811523658 /nfs/dbraw/zinc/52/36/58/811523658.db2.gz PTIHVFVEIYJSLE-UXHICEINSA-N 2 2 364.449 1.441 20 30 FDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001075802703 820573613 /nfs/dbraw/zinc/57/36/13/820573613.db2.gz QCFYLJBRRXQGOD-FCGDIQPGSA-N 2 2 352.482 1.710 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001075802703 820573619 /nfs/dbraw/zinc/57/36/19/820573619.db2.gz QCFYLJBRRXQGOD-FCGDIQPGSA-N 2 2 352.482 1.710 20 30 FDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668098 821968771 /nfs/dbraw/zinc/96/87/71/821968771.db2.gz BZFBUFVVUXGQIK-XDNAFOTISA-N 2 2 351.491 1.021 20 30 FDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668098 821968775 /nfs/dbraw/zinc/96/87/75/821968775.db2.gz BZFBUFVVUXGQIK-XDNAFOTISA-N 2 2 351.491 1.021 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)[C@@H]2CC)CC1 ZINC001087840464 822559520 /nfs/dbraw/zinc/55/95/20/822559520.db2.gz YLGRADIRVPMMJR-FUHWJXTLSA-N 2 2 359.474 1.192 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)[C@@H]2CC)CC1 ZINC001087840464 822559522 /nfs/dbraw/zinc/55/95/22/822559522.db2.gz YLGRADIRVPMMJR-FUHWJXTLSA-N 2 2 359.474 1.192 20 30 FDEDLP CNC(=O)[C@]1(C)CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000330282127 825793151 /nfs/dbraw/zinc/79/31/51/825793151.db2.gz VDTBIEDSAPDHTM-LJQANCHMSA-N 2 2 365.522 1.757 20 30 FDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528415843 829394933 /nfs/dbraw/zinc/39/49/33/829394933.db2.gz JXYMDDKKHINQCV-APWZRJJASA-N 2 2 353.466 1.948 20 30 FDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528415843 829394947 /nfs/dbraw/zinc/39/49/47/829394947.db2.gz JXYMDDKKHINQCV-APWZRJJASA-N 2 2 353.466 1.948 20 30 FDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528415843 829394959 /nfs/dbraw/zinc/39/49/59/829394959.db2.gz JXYMDDKKHINQCV-APWZRJJASA-N 2 2 353.466 1.948 20 30 FDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528415843 829394971 /nfs/dbraw/zinc/39/49/71/829394971.db2.gz JXYMDDKKHINQCV-APWZRJJASA-N 2 2 353.466 1.948 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000528493437 829432973 /nfs/dbraw/zinc/43/29/73/829432973.db2.gz VFTLMDDNSZBPMG-RTBURBONSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000528493437 829432980 /nfs/dbraw/zinc/43/29/80/829432980.db2.gz VFTLMDDNSZBPMG-RTBURBONSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCn3ccc(=O)[nH]c3=O)CC2)cc1 ZINC000898333611 840973940 /nfs/dbraw/zinc/97/39/40/840973940.db2.gz UXMYDCNSUDJEJR-UHFFFAOYSA-N 2 2 367.453 1.465 20 30 FDEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)CC1 ZINC000479918971 844604445 /nfs/dbraw/zinc/60/44/45/844604445.db2.gz YKHMOHBHDIPENT-UHFFFAOYSA-N 2 2 358.417 1.807 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105622422 842246550 /nfs/dbraw/zinc/24/65/50/842246550.db2.gz AMRRMLMJDYXCRN-SMOSDQRPSA-N 2 2 360.502 1.885 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105636709 842268163 /nfs/dbraw/zinc/26/81/63/842268163.db2.gz BUPOVMZRFPFTOU-LFGUQSLTSA-N 2 2 360.502 1.885 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105636709 842268174 /nfs/dbraw/zinc/26/81/74/842268174.db2.gz BUPOVMZRFPFTOU-LFGUQSLTSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105661056 842651256 /nfs/dbraw/zinc/65/12/56/842651256.db2.gz DABGTFMZQUGPLL-YKCBXCCJSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673768 845425042 /nfs/dbraw/zinc/42/50/42/845425042.db2.gz OVLYPWRFHADLOH-HNBVOPMISA-N 2 2 360.502 1.815 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673769 845425518 /nfs/dbraw/zinc/42/55/18/845425518.db2.gz OVLYPWRFHADLOH-IZBJGVDFSA-N 2 2 360.502 1.815 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1O ZINC001083535760 846922564 /nfs/dbraw/zinc/92/25/64/846922564.db2.gz KRIACEGETKSLKG-QYZOEREBSA-N 2 2 359.514 1.216 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@@H]1O ZINC001083535760 846922569 /nfs/dbraw/zinc/92/25/69/846922569.db2.gz KRIACEGETKSLKG-QYZOEREBSA-N 2 2 359.514 1.216 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC3(CC3)CC2)C[C@@H]1O ZINC001083535760 846922579 /nfs/dbraw/zinc/92/25/79/846922579.db2.gz KRIACEGETKSLKG-QYZOEREBSA-N 2 2 359.514 1.216 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC3(CC3)CC2)C[C@@H]1O ZINC001083535760 846922581 /nfs/dbraw/zinc/92/25/81/846922581.db2.gz KRIACEGETKSLKG-QYZOEREBSA-N 2 2 359.514 1.216 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001076574386 848449002 /nfs/dbraw/zinc/44/90/02/848449002.db2.gz FUEDRMALHDWETL-WMLDXEAASA-N 2 2 355.467 1.858 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001076574386 848449004 /nfs/dbraw/zinc/44/90/04/848449004.db2.gz FUEDRMALHDWETL-WMLDXEAASA-N 2 2 355.467 1.858 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1O ZINC001077158657 849953223 /nfs/dbraw/zinc/95/32/23/849953223.db2.gz QAJMEFKISPNIQR-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1O ZINC001077158657 849953232 /nfs/dbraw/zinc/95/32/32/849953232.db2.gz QAJMEFKISPNIQR-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)cc(C)c2)C[C@H]1O ZINC001077158657 849953233 /nfs/dbraw/zinc/95/32/33/849953233.db2.gz QAJMEFKISPNIQR-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)cc(C)c2)C[C@H]1O ZINC001077158657 849953234 /nfs/dbraw/zinc/95/32/34/849953234.db2.gz QAJMEFKISPNIQR-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001089052963 866322156 /nfs/dbraw/zinc/32/21/56/866322156.db2.gz GAHKIDQFBLGDJR-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001089052963 866322176 /nfs/dbraw/zinc/32/21/76/866322176.db2.gz GAHKIDQFBLGDJR-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001089052963 866322196 /nfs/dbraw/zinc/32/21/96/866322196.db2.gz GAHKIDQFBLGDJR-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001089052963 866322215 /nfs/dbraw/zinc/32/22/15/866322215.db2.gz GAHKIDQFBLGDJR-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001089053485 866332171 /nfs/dbraw/zinc/33/21/71/866332171.db2.gz YPTLTCBGNGIICN-MNEFBYGVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001089053485 866332181 /nfs/dbraw/zinc/33/21/81/866332181.db2.gz YPTLTCBGNGIICN-MNEFBYGVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001089053485 866332195 /nfs/dbraw/zinc/33/21/95/866332195.db2.gz YPTLTCBGNGIICN-MNEFBYGVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001089053485 866332211 /nfs/dbraw/zinc/33/22/11/866332211.db2.gz YPTLTCBGNGIICN-MNEFBYGVSA-N 2 2 356.470 1.358 20 30 FDEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455178 875398805 /nfs/dbraw/zinc/39/88/05/875398805.db2.gz DNQCRGKPZPJKHB-RHSMWYFYSA-N 2 2 358.486 1.607 20 30 FDEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033905515 883436248 /nfs/dbraw/zinc/43/62/48/883436248.db2.gz APFRKHUINRIEDW-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033905515 883436257 /nfs/dbraw/zinc/43/62/57/883436257.db2.gz APFRKHUINRIEDW-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001034270814 884054919 /nfs/dbraw/zinc/05/49/19/884054919.db2.gz DLEUTVTWRIDOSW-HMXCVIKNSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001034270814 884054950 /nfs/dbraw/zinc/05/49/50/884054950.db2.gz DLEUTVTWRIDOSW-HMXCVIKNSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001034270814 884054964 /nfs/dbraw/zinc/05/49/64/884054964.db2.gz DLEUTVTWRIDOSW-HMXCVIKNSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001034270814 884054979 /nfs/dbraw/zinc/05/49/79/884054979.db2.gz DLEUTVTWRIDOSW-HMXCVIKNSA-N 2 2 369.509 1.728 20 30 FDEDLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077553200 886358086 /nfs/dbraw/zinc/35/80/86/886358086.db2.gz FZURDEMBYHUEBO-PWRODBHTSA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077553200 886358103 /nfs/dbraw/zinc/35/81/03/886358103.db2.gz FZURDEMBYHUEBO-PWRODBHTSA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077553200 886358120 /nfs/dbraw/zinc/35/81/20/886358120.db2.gz FZURDEMBYHUEBO-PWRODBHTSA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077553200 886358139 /nfs/dbraw/zinc/35/81/39/886358139.db2.gz FZURDEMBYHUEBO-PWRODBHTSA-N 2 2 369.509 1.321 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084231585 913779414 /nfs/dbraw/zinc/77/94/14/913779414.db2.gz FAYOWWKAZKZEBF-NZSAHSFTSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084231585 913779422 /nfs/dbraw/zinc/77/94/22/913779422.db2.gz FAYOWWKAZKZEBF-NZSAHSFTSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084231585 913779433 /nfs/dbraw/zinc/77/94/33/913779433.db2.gz FAYOWWKAZKZEBF-NZSAHSFTSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084231585 913779444 /nfs/dbraw/zinc/77/94/44/913779444.db2.gz FAYOWWKAZKZEBF-NZSAHSFTSA-N 2 2 356.445 1.824 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349568 914137262 /nfs/dbraw/zinc/13/72/62/914137262.db2.gz RQUFBQVICSFQFI-QHAWAJNXSA-N 2 2 364.493 1.933 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349568 914137269 /nfs/dbraw/zinc/13/72/69/914137269.db2.gz RQUFBQVICSFQFI-QHAWAJNXSA-N 2 2 364.493 1.933 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245828 902255955 /nfs/dbraw/zinc/25/59/55/902255955.db2.gz JULTWMUDZGKURT-VXIBKDFQSA-N 2 2 368.481 1.476 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265383 902310537 /nfs/dbraw/zinc/31/05/37/902310537.db2.gz GZUSRQMWEMXORD-BPQIPLTHSA-N 2 2 356.470 1.161 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC001084447431 914665796 /nfs/dbraw/zinc/66/57/96/914665796.db2.gz MXIOIWFWPYOAJO-HUYLIWGRSA-N 2 2 368.481 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC001084447431 914665805 /nfs/dbraw/zinc/66/58/05/914665805.db2.gz MXIOIWFWPYOAJO-HUYLIWGRSA-N 2 2 368.481 1.310 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC001084447431 914665788 /nfs/dbraw/zinc/66/57/88/914665788.db2.gz MXIOIWFWPYOAJO-HUYLIWGRSA-N 2 2 368.481 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC001084447431 914665814 /nfs/dbraw/zinc/66/58/14/914665814.db2.gz MXIOIWFWPYOAJO-HUYLIWGRSA-N 2 2 368.481 1.310 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001079962526 903771586 /nfs/dbraw/zinc/77/15/86/903771586.db2.gz OIJHRKBTOVXNMG-XWIAVFTESA-N 2 2 367.453 1.400 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001079962526 903771590 /nfs/dbraw/zinc/77/15/90/903771590.db2.gz OIJHRKBTOVXNMG-XWIAVFTESA-N 2 2 367.453 1.400 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138239 905957914 /nfs/dbraw/zinc/95/79/14/905957914.db2.gz VENJBNOVEYNRRG-RTBURBONSA-N 2 2 370.497 1.606 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138239 905957919 /nfs/dbraw/zinc/95/79/19/905957919.db2.gz VENJBNOVEYNRRG-RTBURBONSA-N 2 2 370.497 1.606 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082138239 905957922 /nfs/dbraw/zinc/95/79/22/905957922.db2.gz VENJBNOVEYNRRG-RTBURBONSA-N 2 2 370.497 1.606 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082138239 905957932 /nfs/dbraw/zinc/95/79/32/905957932.db2.gz VENJBNOVEYNRRG-RTBURBONSA-N 2 2 370.497 1.606 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=C)Br)C[C@H]2C)CC1 ZINC001080998060 906974326 /nfs/dbraw/zinc/97/43/26/906974326.db2.gz QWELFGLDLSMSIZ-CZUORRHYSA-N 2 2 368.319 1.677 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=C)Br)C[C@H]2C)CC1 ZINC001080998060 906974329 /nfs/dbraw/zinc/97/43/29/906974329.db2.gz QWELFGLDLSMSIZ-CZUORRHYSA-N 2 2 368.319 1.677 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604722 908929237 /nfs/dbraw/zinc/92/92/37/908929237.db2.gz ZLGKCDNHQJFBFM-UXIGCNINSA-N 2 2 367.291 1.791 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3csnn3)C2)CC1 ZINC001082941516 911018137 /nfs/dbraw/zinc/01/81/37/911018137.db2.gz VGAVICNHJJYHLD-IJEWVQPXSA-N 2 2 361.515 1.381 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000730105470 916138179 /nfs/dbraw/zinc/13/81/79/916138179.db2.gz IWNGSZIDFKXBIP-HNNXBMFYSA-N 2 2 361.408 1.197 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000730105470 916138188 /nfs/dbraw/zinc/13/81/88/916138188.db2.gz IWNGSZIDFKXBIP-HNNXBMFYSA-N 2 2 361.408 1.197 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014980 919667678 /nfs/dbraw/zinc/66/76/78/919667678.db2.gz PELBNRJRISCRDH-HOJAQTOUSA-N 2 2 359.514 1.576 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014980 919667685 /nfs/dbraw/zinc/66/76/85/919667685.db2.gz PELBNRJRISCRDH-HOJAQTOUSA-N 2 2 359.514 1.576 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085014980 919667692 /nfs/dbraw/zinc/66/76/92/919667692.db2.gz PELBNRJRISCRDH-HOJAQTOUSA-N 2 2 359.514 1.576 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014980 919667703 /nfs/dbraw/zinc/66/77/03/919667703.db2.gz PELBNRJRISCRDH-HOJAQTOUSA-N 2 2 359.514 1.576 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]21 ZINC001085047801 920050981 /nfs/dbraw/zinc/05/09/81/920050981.db2.gz NMKABBTXXPEDLT-MOPGFXCFSA-N 2 2 359.514 1.578 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]21 ZINC001085047801 920050999 /nfs/dbraw/zinc/05/09/99/920050999.db2.gz NMKABBTXXPEDLT-MOPGFXCFSA-N 2 2 359.514 1.578 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(C)no4)[C@H]3C2)CC1 ZINC001085100429 920912793 /nfs/dbraw/zinc/91/27/93/920912793.db2.gz BJMJTTQZSQKKSM-AEFFLSMTSA-N 2 2 371.485 1.146 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(C)no4)[C@H]3C2)CC1 ZINC001085100429 920912801 /nfs/dbraw/zinc/91/28/01/920912801.db2.gz BJMJTTQZSQKKSM-AEFFLSMTSA-N 2 2 371.485 1.146 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)cn1 ZINC001085230336 922988679 /nfs/dbraw/zinc/98/86/79/922988679.db2.gz QHUMRLNNKOQZKH-QRVBRYPASA-N 2 2 355.486 1.400 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)cn1 ZINC001085230336 922988684 /nfs/dbraw/zinc/98/86/84/922988684.db2.gz QHUMRLNNKOQZKH-QRVBRYPASA-N 2 2 355.486 1.400 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590150 929876532 /nfs/dbraw/zinc/87/65/32/929876532.db2.gz VALYLLCHKURKGY-NCOADZHNSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590150 929876539 /nfs/dbraw/zinc/87/65/39/929876539.db2.gz VALYLLCHKURKGY-NCOADZHNSA-N 2 2 362.518 1.273 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2c2ccccc2)CC1 ZINC001086624957 938507387 /nfs/dbraw/zinc/50/73/87/938507387.db2.gz CMVYMSGTMAQVRA-VQTJNVASSA-N 2 2 357.473 1.885 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2c2ccccc2)CC1 ZINC001086624957 938507390 /nfs/dbraw/zinc/50/73/90/938507390.db2.gz CMVYMSGTMAQVRA-VQTJNVASSA-N 2 2 357.473 1.885 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129917615 938554522 /nfs/dbraw/zinc/55/45/22/938554522.db2.gz YPLNLNDEPRYQQD-NXHRZFHOSA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001129918550 938567253 /nfs/dbraw/zinc/56/72/53/938567253.db2.gz DCGFOBFCEYCSHE-OLMNPRSZSA-N 2 2 369.473 1.032 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129918550 938567255 /nfs/dbraw/zinc/56/72/55/938567255.db2.gz DCGFOBFCEYCSHE-OLMNPRSZSA-N 2 2 369.473 1.032 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129951900 938574996 /nfs/dbraw/zinc/57/49/96/938574996.db2.gz ALCPOZBNVGQAKC-BBWFWOEESA-N 2 2 357.462 1.261 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129951901 938575063 /nfs/dbraw/zinc/57/50/63/938575063.db2.gz ALCPOZBNVGQAKC-ZACQAIPSSA-N 2 2 357.462 1.261 20 30 FDEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130790062 940160989 /nfs/dbraw/zinc/16/09/89/940160989.db2.gz GCRWSIJDWZZARR-RRFJBIMHSA-N 2 2 364.494 1.147 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131108205 940502677 /nfs/dbraw/zinc/50/26/77/940502677.db2.gz MQJWJOQZDKYSHJ-IAGOWNOFSA-N 2 2 356.474 1.247 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001131522488 940705515 /nfs/dbraw/zinc/70/55/15/940705515.db2.gz KNVAOCUVJYEQFK-RLLQIKCJSA-N 2 2 370.497 1.455 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001131578217 940755051 /nfs/dbraw/zinc/75/50/51/940755051.db2.gz MOSRPXJBXYDGDX-LZQZEXGQSA-N 2 2 358.486 1.597 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001131578217 940755052 /nfs/dbraw/zinc/75/50/52/940755052.db2.gz MOSRPXJBXYDGDX-LZQZEXGQSA-N 2 2 358.486 1.597 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001131578192 940755181 /nfs/dbraw/zinc/75/51/81/940755181.db2.gz MEQSKVHJYJJIDZ-IPELMVKDSA-N 2 2 358.486 1.597 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001131578192 940755184 /nfs/dbraw/zinc/75/51/84/940755184.db2.gz MEQSKVHJYJJIDZ-IPELMVKDSA-N 2 2 358.486 1.597 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001131595123 940777354 /nfs/dbraw/zinc/77/73/54/940777354.db2.gz NLUBHFHSJRYBOV-QUCCMNQESA-N 2 2 360.502 1.915 20 30 FDEDLP C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000812889072 941287293 /nfs/dbraw/zinc/28/72/93/941287293.db2.gz MOSUDDYSAQNJKE-IEBWSBKVSA-N 2 2 358.461 1.968 20 30 FDEDLP C#C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000812889072 941287294 /nfs/dbraw/zinc/28/72/94/941287294.db2.gz MOSUDDYSAQNJKE-IEBWSBKVSA-N 2 2 358.461 1.968 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000775688669 971511980 /nfs/dbraw/zinc/51/19/80/971511980.db2.gz IMXVZUKJLROPBV-TZIWHRDSSA-N 2 2 368.525 1.264 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000775688669 971511986 /nfs/dbraw/zinc/51/19/86/971511986.db2.gz IMXVZUKJLROPBV-TZIWHRDSSA-N 2 2 368.525 1.264 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001110718727 971636511 /nfs/dbraw/zinc/63/65/11/971636511.db2.gz ASKBHJLCBRDQBR-YRXWBPOGSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001110718727 971636514 /nfs/dbraw/zinc/63/65/14/971636514.db2.gz ASKBHJLCBRDQBR-YRXWBPOGSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110718727 971636518 /nfs/dbraw/zinc/63/65/18/971636518.db2.gz ASKBHJLCBRDQBR-YRXWBPOGSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110718727 971636521 /nfs/dbraw/zinc/63/65/21/971636521.db2.gz ASKBHJLCBRDQBR-YRXWBPOGSA-N 2 2 374.529 1.393 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cncc(F)c3)C[C@@]2(C)C1 ZINC001091748670 952794782 /nfs/dbraw/zinc/79/47/82/952794782.db2.gz SZMUPXAZBDRICC-LMNJBCLMSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cncc(F)c3)C[C@@]2(C)C1 ZINC001091748670 952794783 /nfs/dbraw/zinc/79/47/83/952794783.db2.gz SZMUPXAZBDRICC-LMNJBCLMSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cncc(F)c3)C[C@@]2(C)C1 ZINC001091748670 952794785 /nfs/dbraw/zinc/79/47/85/952794785.db2.gz SZMUPXAZBDRICC-LMNJBCLMSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cncc(F)c3)C[C@@]2(C)C1 ZINC001091748670 952794790 /nfs/dbraw/zinc/79/47/90/952794790.db2.gz SZMUPXAZBDRICC-LMNJBCLMSA-N 2 2 370.472 1.599 20 30 FDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946905 953811254 /nfs/dbraw/zinc/81/12/54/953811254.db2.gz RFJOFKRQPJKJTO-LMNJBCLMSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946905 953811268 /nfs/dbraw/zinc/81/12/68/953811268.db2.gz RFJOFKRQPJKJTO-LMNJBCLMSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946905 953811282 /nfs/dbraw/zinc/81/12/82/953811282.db2.gz RFJOFKRQPJKJTO-LMNJBCLMSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946905 953811297 /nfs/dbraw/zinc/81/12/97/953811297.db2.gz RFJOFKRQPJKJTO-LMNJBCLMSA-N 2 2 361.530 1.986 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001092690037 956199303 /nfs/dbraw/zinc/19/93/03/956199303.db2.gz XRQHBSRNNDLZLA-KURKYZTESA-N 2 2 355.486 1.067 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001092690037 956199310 /nfs/dbraw/zinc/19/93/10/956199310.db2.gz XRQHBSRNNDLZLA-KURKYZTESA-N 2 2 355.486 1.067 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ncc(C)cn2)C[C@H]1C ZINC001092690037 956199315 /nfs/dbraw/zinc/19/93/15/956199315.db2.gz XRQHBSRNNDLZLA-KURKYZTESA-N 2 2 355.486 1.067 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ncc(C)cn2)C[C@H]1C ZINC001092690037 956199327 /nfs/dbraw/zinc/19/93/27/956199327.db2.gz XRQHBSRNNDLZLA-KURKYZTESA-N 2 2 355.486 1.067 20 30 FDEDLP C=C(C[NH+]1CCCC1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001183026936 962742257 /nfs/dbraw/zinc/74/22/57/962742257.db2.gz DIRKRKJKBMDBKJ-UHFFFAOYSA-N 2 2 373.497 1.666 20 30 FDEDLP C=CC[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000852872645 967678925 /nfs/dbraw/zinc/67/89/25/967678925.db2.gz JLAMVWSKCTYQIS-OAQYLSRUSA-N 2 2 372.513 1.632 20 30 FDEDLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCCC1 ZINC001194997527 970598381 /nfs/dbraw/zinc/59/83/81/970598381.db2.gz RZJVNFPBDYYSDB-WOJBJXKFSA-N 2 2 369.509 1.464 20 30 FDEDLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCCC1 ZINC001194997527 970598385 /nfs/dbraw/zinc/59/83/85/970598385.db2.gz RZJVNFPBDYYSDB-WOJBJXKFSA-N 2 2 369.509 1.464 20 30 FDEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128089 973929824 /nfs/dbraw/zinc/92/98/24/973929824.db2.gz NNRZIOBWSWCZKR-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128089 973929825 /nfs/dbraw/zinc/92/98/25/973929825.db2.gz NNRZIOBWSWCZKR-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001110740842 981882384 /nfs/dbraw/zinc/88/23/84/981882384.db2.gz GTOVSXFWKVOOKR-RGCFKVTRSA-N 2 2 358.486 1.747 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001110740842 981882394 /nfs/dbraw/zinc/88/23/94/981882394.db2.gz GTOVSXFWKVOOKR-RGCFKVTRSA-N 2 2 358.486 1.747 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001110740842 981882401 /nfs/dbraw/zinc/88/24/01/981882401.db2.gz GTOVSXFWKVOOKR-RGCFKVTRSA-N 2 2 358.486 1.747 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001110740842 981882411 /nfs/dbraw/zinc/88/24/11/981882411.db2.gz GTOVSXFWKVOOKR-RGCFKVTRSA-N 2 2 358.486 1.747 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000884319511 983080092 /nfs/dbraw/zinc/08/00/92/983080092.db2.gz WQYGRTMGBAHODD-KRWDZBQOSA-N 2 2 351.491 1.548 20 30 FDEDLP C[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000884319699 983080711 /nfs/dbraw/zinc/08/07/11/983080711.db2.gz BGOREZQGPULTGK-YXXBYESQSA-N 2 2 374.435 1.966 20 30 FDEDLP C[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000884319699 983080716 /nfs/dbraw/zinc/08/07/16/983080716.db2.gz BGOREZQGPULTGK-YXXBYESQSA-N 2 2 374.435 1.966 20 30 FDEDLP CC[NH+](CC)CCN1c2ccccc2C(=NNc2cc(C)[nH+]c(N)n2)C1=O ZINC000872420337 987644676 /nfs/dbraw/zinc/64/46/76/987644676.db2.gz NVZDJWOJSXOYDN-UHFFFAOYSA-N 2 2 367.457 1.872 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@H]4[C@@H](C[NH+]5CCCC[C@@H]45)C3)C2=O)cc1 ZINC000364274804 989526982 /nfs/dbraw/zinc/52/69/82/989526982.db2.gz YDGHOBGWEYCWFY-WNHJNPCNSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3C[C@H]4[C@@H](C[NH+]5CCCC[C@@H]45)C3)C2=O)cc1 ZINC000364274804 989526989 /nfs/dbraw/zinc/52/69/89/989526989.db2.gz YDGHOBGWEYCWFY-WNHJNPCNSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([NH+]3C[C@H]4[C@H](C3)C[N@@H+]3CCCC[C@@H]43)C2=O)cc1 ZINC000364274804 989526996 /nfs/dbraw/zinc/52/69/96/989526996.db2.gz YDGHOBGWEYCWFY-WNHJNPCNSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([NH+]3C[C@H]4[C@H](C3)C[N@H+]3CCCC[C@@H]43)C2=O)cc1 ZINC000364274804 989527008 /nfs/dbraw/zinc/52/70/08/989527008.db2.gz YDGHOBGWEYCWFY-WNHJNPCNSA-N 2 2 364.449 1.606 20 30 FDEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000371664235 990608345 /nfs/dbraw/zinc/60/83/45/990608345.db2.gz QSPADRMOBZGSHY-FQEVSTJZSA-N 2 2 372.513 1.865 20 30 FDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371664019 990608384 /nfs/dbraw/zinc/60/83/84/990608384.db2.gz OLVGCFSISHLNCB-HKUYNNGSSA-N 2 2 358.486 1.474 20 30 FDEDLP C=CC(C)(C)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875214219 991096209 /nfs/dbraw/zinc/09/62/09/991096209.db2.gz KAALTKXNDISNBC-INIZCTEOSA-N 2 2 364.534 1.380 20 30 FDEDLP C=CC(C)(C)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875214219 991096216 /nfs/dbraw/zinc/09/62/16/991096216.db2.gz KAALTKXNDISNBC-INIZCTEOSA-N 2 2 364.534 1.380 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000286475586 999944705 /nfs/dbraw/zinc/94/47/05/999944705.db2.gz IVZRTZXBKNTFDX-UHFFFAOYSA-N 2 2 355.442 1.107 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000928656703 1001612752 /nfs/dbraw/zinc/61/27/52/1001612752.db2.gz BVCCCLRFCGAMHS-LJQANCHMSA-N 2 2 357.523 1.990 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111277226 1002469794 /nfs/dbraw/zinc/46/97/94/1002469794.db2.gz HIRIKNNUAXZQCH-QRVBRYPASA-N 2 2 356.470 1.358 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111277226 1002469802 /nfs/dbraw/zinc/46/98/02/1002469802.db2.gz HIRIKNNUAXZQCH-QRVBRYPASA-N 2 2 356.470 1.358 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111277581 1002501566 /nfs/dbraw/zinc/50/15/66/1002501566.db2.gz YPRNGKLKTBMYOJ-QRQLOZEOSA-N 2 2 374.460 1.497 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111277581 1002501575 /nfs/dbraw/zinc/50/15/75/1002501575.db2.gz YPRNGKLKTBMYOJ-QRQLOZEOSA-N 2 2 374.460 1.497 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111098433 1005926122 /nfs/dbraw/zinc/92/61/22/1005926122.db2.gz DFDWTPMKJRIEDA-BDXSIMOUSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111098433 1005926123 /nfs/dbraw/zinc/92/61/23/1005926123.db2.gz DFDWTPMKJRIEDA-BDXSIMOUSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098433 1005926124 /nfs/dbraw/zinc/92/61/24/1005926124.db2.gz DFDWTPMKJRIEDA-BDXSIMOUSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098433 1005926125 /nfs/dbraw/zinc/92/61/25/1005926125.db2.gz DFDWTPMKJRIEDA-BDXSIMOUSA-N 2 2 362.518 1.273 20 30 FDEDLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001111152353 1006482376 /nfs/dbraw/zinc/48/23/76/1006482376.db2.gz UKYKYSAXMNQMEN-NJYVYQBISA-N 2 2 367.493 1.482 20 30 FDEDLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001111152353 1006482384 /nfs/dbraw/zinc/48/23/84/1006482384.db2.gz UKYKYSAXMNQMEN-NJYVYQBISA-N 2 2 367.493 1.482 20 30 FDEDLP NC(=[NH+]OCC(=O)NCC(F)(F)F)c1ccccc1C[NH+]1CCCCC1 ZINC000063509710 522604335 /nfs/dbraw/zinc/60/43/35/522604335.db2.gz LUDZEOQCHVUFSE-UHFFFAOYSA-N 2 2 372.391 1.988 20 30 FDEDLP C#CCOc1ccccc1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000075771220 522968108 /nfs/dbraw/zinc/96/81/08/522968108.db2.gz PCMNJVYRLDEACC-UHFFFAOYSA-N 2 2 365.481 1.791 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[NH+]3CCOCC3)CC2)cc1 ZINC000053955132 523539448 /nfs/dbraw/zinc/53/94/48/523539448.db2.gz KFFGVWCSJNFHSW-UHFFFAOYSA-N 2 2 371.485 1.108 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC[NH+]3CCOCC3)CC2)cc1 ZINC000053955132 523539455 /nfs/dbraw/zinc/53/94/55/523539455.db2.gz KFFGVWCSJNFHSW-UHFFFAOYSA-N 2 2 371.485 1.108 20 30 FDEDLP CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160040922 524794292 /nfs/dbraw/zinc/79/42/92/524794292.db2.gz CRAQNTXUUCNJPA-VQIMIIECSA-N 2 2 374.533 1.990 20 30 FDEDLP CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160041043 524795175 /nfs/dbraw/zinc/79/51/75/524795175.db2.gz CRAQNTXUUCNJPA-LPHOPBHVSA-N 2 2 374.533 1.990 20 30 FDEDLP CC[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160080124 524802239 /nfs/dbraw/zinc/80/22/39/524802239.db2.gz CZNHHONIQYUEFU-JKSUJKDBSA-N 2 2 370.505 1.860 20 30 FDEDLP C=CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1OC ZINC000093821193 525001896 /nfs/dbraw/zinc/00/18/96/525001896.db2.gz CEARLCILSIZVEX-SFHVURJKSA-N 2 2 373.497 1.998 20 30 FDEDLP C=CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1OC ZINC000093821193 525001907 /nfs/dbraw/zinc/00/19/07/525001907.db2.gz CEARLCILSIZVEX-SFHVURJKSA-N 2 2 373.497 1.998 20 30 FDEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127167645 525391807 /nfs/dbraw/zinc/39/18/07/525391807.db2.gz DLBWAPMNNFISIC-SJORKVTESA-N 2 2 366.531 1.724 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)CC1 ZINC000128300646 525525417 /nfs/dbraw/zinc/52/54/17/525525417.db2.gz IOPDHQOXUOHAED-UHFFFAOYSA-N 2 2 358.486 1.607 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)CC1 ZINC000128300646 525525427 /nfs/dbraw/zinc/52/54/27/525525427.db2.gz IOPDHQOXUOHAED-UHFFFAOYSA-N 2 2 358.486 1.607 20 30 FDEDLP CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000182107317 526056714 /nfs/dbraw/zinc/05/67/14/526056714.db2.gz GYYQRIDKAYSECJ-VQTJNVASSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301759 536289447 /nfs/dbraw/zinc/28/94/47/536289447.db2.gz IZRFXFUOGKMNEI-YLJYHZDGSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301759 536289448 /nfs/dbraw/zinc/28/94/48/536289448.db2.gz IZRFXFUOGKMNEI-YLJYHZDGSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188301759 536289449 /nfs/dbraw/zinc/28/94/49/536289449.db2.gz IZRFXFUOGKMNEI-YLJYHZDGSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188301759 536289450 /nfs/dbraw/zinc/28/94/50/536289450.db2.gz IZRFXFUOGKMNEI-YLJYHZDGSA-N 2 2 358.486 1.316 20 30 FDEDLP CC[NH+]=C(NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000263262710 537003667 /nfs/dbraw/zinc/00/36/67/537003667.db2.gz TYHGWBAZUJNBKQ-HOTGVXAUSA-N 2 2 367.538 1.004 20 30 FDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000250291451 537244667 /nfs/dbraw/zinc/24/46/67/537244667.db2.gz TWFHVDNQVKRCIT-OALUTQOASA-N 2 2 369.513 1.054 20 30 FDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000250291451 537244668 /nfs/dbraw/zinc/24/46/68/537244668.db2.gz TWFHVDNQVKRCIT-OALUTQOASA-N 2 2 369.513 1.054 20 30 FDEDLP C=CCCOCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422189169 538181731 /nfs/dbraw/zinc/18/17/31/538181731.db2.gz VJGIEAOWGQULCL-UHFFFAOYSA-N 2 2 352.523 1.781 20 30 FDEDLP C=CCCOCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422189169 538181738 /nfs/dbraw/zinc/18/17/38/538181738.db2.gz VJGIEAOWGQULCL-UHFFFAOYSA-N 2 2 352.523 1.781 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cnc12 ZINC000564984746 547144488 /nfs/dbraw/zinc/14/44/88/547144488.db2.gz AHFKWIBZLNQVLH-LJQANCHMSA-N 2 2 362.437 1.110 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)cnc12 ZINC000564984746 547144492 /nfs/dbraw/zinc/14/44/92/547144492.db2.gz AHFKWIBZLNQVLH-LJQANCHMSA-N 2 2 362.437 1.110 20 30 FDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000566112694 547608627 /nfs/dbraw/zinc/60/86/27/547608627.db2.gz QMUFZJQWDVKGSI-SFHVURJKSA-N 2 2 352.523 1.065 20 30 FDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000575959435 550495095 /nfs/dbraw/zinc/49/50/95/550495095.db2.gz YBGZLYZPCYIJSU-PKOBYXMFSA-N 2 2 354.454 1.068 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)o1 ZINC000578884495 550812006 /nfs/dbraw/zinc/81/20/06/550812006.db2.gz MXCKXAJLSBMFKB-UHFFFAOYSA-N 2 2 374.466 1.423 20 30 FDEDLP CS(=O)(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000581948305 551154570 /nfs/dbraw/zinc/15/45/70/551154570.db2.gz GZDKECQEHNDSNB-SFHVURJKSA-N 2 2 362.499 1.146 20 30 FDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000584582475 551521793 /nfs/dbraw/zinc/52/17/93/551521793.db2.gz PFSDQCDCQBGMFC-ZHALLVOQSA-N 2 2 361.486 1.581 20 30 FDEDLP Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593343370 552092572 /nfs/dbraw/zinc/09/25/72/552092572.db2.gz GWWYZYLWQWPRCS-UHFFFAOYSA-N 2 2 352.442 1.756 20 30 FDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000593990268 552235533 /nfs/dbraw/zinc/23/55/33/552235533.db2.gz AADGXDDLWODPEA-XLIONFOSSA-N 2 2 373.497 1.677 20 30 FDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000593990268 552235535 /nfs/dbraw/zinc/23/55/35/552235535.db2.gz AADGXDDLWODPEA-XLIONFOSSA-N 2 2 373.497 1.677 20 30 FDEDLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439919 552310875 /nfs/dbraw/zinc/31/08/75/552310875.db2.gz WHIIAJYXIULPIT-HXUWFJFHSA-N 2 2 371.529 1.852 20 30 FDEDLP Cc1cn2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2[nH+]1 ZINC000595004447 552436221 /nfs/dbraw/zinc/43/62/21/552436221.db2.gz SBNHTMMAUSMKCV-UHFFFAOYSA-N 2 2 356.430 1.275 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000595126044 552459420 /nfs/dbraw/zinc/45/94/20/552459420.db2.gz SNLWZEQJEZXAGX-UHFFFAOYSA-N 2 2 365.865 1.150 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000595126044 552459421 /nfs/dbraw/zinc/45/94/21/552459421.db2.gz SNLWZEQJEZXAGX-UHFFFAOYSA-N 2 2 365.865 1.150 20 30 FDEDLP CN(CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC[NH+](C)C ZINC000598918605 552944890 /nfs/dbraw/zinc/94/48/90/552944890.db2.gz OVTPYEBKBDYXPE-UHFFFAOYSA-N 3 2 357.546 1.996 20 30 FDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000599396082 553044847 /nfs/dbraw/zinc/04/48/47/553044847.db2.gz PHGQZMCGBYWUFT-ZWKOTPCHSA-N 2 2 351.491 1.244 20 30 FDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000599396082 553044849 /nfs/dbraw/zinc/04/48/49/553044849.db2.gz PHGQZMCGBYWUFT-ZWKOTPCHSA-N 2 2 351.491 1.244 20 30 FDEDLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599434341 553056167 /nfs/dbraw/zinc/05/61/67/553056167.db2.gz ZENYJKMGZCRGEV-QGZVFWFLSA-N 2 2 353.507 1.130 20 30 FDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000599624991 553106864 /nfs/dbraw/zinc/10/68/64/553106864.db2.gz MLOSEBVXXICPOE-UHFFFAOYSA-N 2 2 373.457 1.248 20 30 FDEDLP N#CC1(C[C@H](O)C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000600717173 553306349 /nfs/dbraw/zinc/30/63/49/553306349.db2.gz ONMXPZCVKXYZIT-FQEVSTJZSA-N 2 2 373.497 1.680 20 30 FDEDLP CNS(=O)(=O)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000601151426 553353533 /nfs/dbraw/zinc/35/35/33/553353533.db2.gz ZZXRTPWVCDLGCB-UHFFFAOYSA-N 2 2 350.488 1.052 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000602527286 553599037 /nfs/dbraw/zinc/59/90/37/553599037.db2.gz NRZYORYDXNSAPK-IRXDYDNUSA-N 2 2 350.507 1.618 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000602527286 553599039 /nfs/dbraw/zinc/59/90/39/553599039.db2.gz NRZYORYDXNSAPK-IRXDYDNUSA-N 2 2 350.507 1.618 20 30 FDEDLP Cc1nc(N2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)cc[nH+]1 ZINC000612744523 554834681 /nfs/dbraw/zinc/83/46/81/554834681.db2.gz DSZUUEPMZKQRFE-GOSISDBHSA-N 2 2 367.453 1.413 20 30 FDEDLP C=C(CNC(=O)C[C@H](C)n1cc[nH+]c1)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000620748786 555979328 /nfs/dbraw/zinc/97/93/28/555979328.db2.gz YUWGXHZSLJDZKV-HOTGVXAUSA-N 2 2 358.446 1.471 20 30 FDEDLP COCCNC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273512010 674544646 /nfs/dbraw/zinc/54/46/46/674544646.db2.gz RCQVDHKTUMWTGX-UHFFFAOYSA-N 2 2 354.252 1.498 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N(C)C[C@@H]1CCOC1 ZINC000261602060 672633348 /nfs/dbraw/zinc/63/33/48/672633348.db2.gz BYXZFHSXMHYZAW-KRWDZBQOSA-N 2 2 352.523 1.565 20 30 FDEDLP CC[NH+](CC)[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccco1 ZINC000264994977 672927678 /nfs/dbraw/zinc/92/76/78/672927678.db2.gz SCZUOSHLAZHJNI-INIZCTEOSA-N 2 2 351.495 1.160 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CO)C3CCCC3)CC2)CC1 ZINC000329542743 676643531 /nfs/dbraw/zinc/64/35/31/676643531.db2.gz DZFAMFWBEOKISE-GOSISDBHSA-N 2 2 352.523 1.600 20 30 FDEDLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCCOC2)O1 ZINC000330099212 676672356 /nfs/dbraw/zinc/67/23/56/676672356.db2.gz CTGDIUPIBNBREZ-DNVCBOLYSA-N 2 2 351.491 1.840 20 30 FDEDLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCCOC2)O1 ZINC000330099212 676672357 /nfs/dbraw/zinc/67/23/57/676672357.db2.gz CTGDIUPIBNBREZ-DNVCBOLYSA-N 2 2 351.491 1.840 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001022734460 782769579 /nfs/dbraw/zinc/76/95/79/782769579.db2.gz YJZUAXXPJMURIW-YYIAUSFCSA-N 2 2 367.428 1.971 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)O1 ZINC001022276809 779086819 /nfs/dbraw/zinc/08/68/19/779086819.db2.gz QBWHLXMAOKYUJS-GQAVTEOGSA-N 2 2 360.433 1.153 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)O1 ZINC001022276809 779086824 /nfs/dbraw/zinc/08/68/24/779086824.db2.gz QBWHLXMAOKYUJS-GQAVTEOGSA-N 2 2 360.433 1.153 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(C#N)cc2)O1 ZINC001024505736 784963687 /nfs/dbraw/zinc/96/36/87/784963687.db2.gz HKXVRSROVAFMIY-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(C#N)cc2)O1 ZINC001024505736 784963688 /nfs/dbraw/zinc/96/36/88/784963688.db2.gz HKXVRSROVAFMIY-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)O1 ZINC001024505736 784963693 /nfs/dbraw/zinc/96/36/93/784963693.db2.gz HKXVRSROVAFMIY-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)O1 ZINC001024505736 784963694 /nfs/dbraw/zinc/96/36/94/784963694.db2.gz HKXVRSROVAFMIY-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC2(C)C)O1 ZINC000974755653 800245403 /nfs/dbraw/zinc/24/54/03/800245403.db2.gz PJMHJKSONGQOEO-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC2(C)C)O1 ZINC000974755653 800245405 /nfs/dbraw/zinc/24/54/05/800245405.db2.gz PJMHJKSONGQOEO-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC2(C)C)O1 ZINC000974755653 800245406 /nfs/dbraw/zinc/24/54/06/800245406.db2.gz PJMHJKSONGQOEO-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC2(C)C)O1 ZINC000974755653 800245408 /nfs/dbraw/zinc/24/54/08/800245408.db2.gz PJMHJKSONGQOEO-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C=CC[C@]1(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)CCC[NH2+]1 ZINC000662672551 806944236 /nfs/dbraw/zinc/94/42/36/806944236.db2.gz CJQAWWLYJPEQLA-LJQANCHMSA-N 2 2 350.507 1.087 20 30 FDEDLP C=CC[C@]1(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)CCC[NH2+]1 ZINC000662672551 806944237 /nfs/dbraw/zinc/94/42/37/806944237.db2.gz CJQAWWLYJPEQLA-LJQANCHMSA-N 2 2 350.507 1.087 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC000978176522 805254468 /nfs/dbraw/zinc/25/44/68/805254468.db2.gz GIZDJPISNOBBMG-NNIGNNQHSA-N 2 2 352.482 1.471 20 30 FDEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC000978176522 805254476 /nfs/dbraw/zinc/25/44/76/805254476.db2.gz GIZDJPISNOBBMG-NNIGNNQHSA-N 2 2 352.482 1.471 20 30 FDEDLP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001087423923 805494178 /nfs/dbraw/zinc/49/41/78/805494178.db2.gz ALBYYMDKGATTHO-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001087423923 805494186 /nfs/dbraw/zinc/49/41/86/805494186.db2.gz ALBYYMDKGATTHO-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087423923 805494195 /nfs/dbraw/zinc/49/41/95/805494195.db2.gz ALBYYMDKGATTHO-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087423923 805494200 /nfs/dbraw/zinc/49/42/00/805494200.db2.gz ALBYYMDKGATTHO-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262020385 811369625 /nfs/dbraw/zinc/36/96/25/811369625.db2.gz YPJNSCSMFDSLJN-KSSFIOAISA-N 3 2 367.501 1.723 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262020385 811369632 /nfs/dbraw/zinc/36/96/32/811369632.db2.gz YPJNSCSMFDSLJN-KSSFIOAISA-N 3 2 367.501 1.723 20 30 FDEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216441 816709495 /nfs/dbraw/zinc/70/94/95/816709495.db2.gz HIFUXLLBOKEMEA-DNVCBOLYSA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216441 816709502 /nfs/dbraw/zinc/70/95/02/816709502.db2.gz HIFUXLLBOKEMEA-DNVCBOLYSA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216441 816709517 /nfs/dbraw/zinc/70/95/17/816709517.db2.gz HIFUXLLBOKEMEA-DNVCBOLYSA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216441 816709525 /nfs/dbraw/zinc/70/95/25/816709525.db2.gz HIFUXLLBOKEMEA-DNVCBOLYSA-N 2 2 356.474 1.666 20 30 FDEDLP C[NH+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@]2(CCOC2)C1 ZINC000261969928 817868947 /nfs/dbraw/zinc/86/89/47/817868947.db2.gz MNZNKBUAJFZERF-CTNGQTDRSA-N 2 2 372.513 1.575 20 30 FDEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@]2(CCOC2)C1 ZINC000261969928 817868954 /nfs/dbraw/zinc/86/89/54/817868954.db2.gz MNZNKBUAJFZERF-CTNGQTDRSA-N 2 2 372.513 1.575 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)[C@@H]1CC ZINC001087607206 821714981 /nfs/dbraw/zinc/71/49/81/821714981.db2.gz QWCIBMJHTCMBAQ-OTWHNJEPSA-N 2 2 357.502 1.295 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2C)[C@@H]1CC ZINC001087607206 821714991 /nfs/dbraw/zinc/71/49/91/821714991.db2.gz QWCIBMJHTCMBAQ-OTWHNJEPSA-N 2 2 357.502 1.295 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cn(C)nc2C)[C@@H]1CC ZINC001087607206 821715000 /nfs/dbraw/zinc/71/50/00/821715000.db2.gz QWCIBMJHTCMBAQ-OTWHNJEPSA-N 2 2 357.502 1.295 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cn(C)nc2C)[C@@H]1CC ZINC001087607206 821715005 /nfs/dbraw/zinc/71/50/05/821715005.db2.gz QWCIBMJHTCMBAQ-OTWHNJEPSA-N 2 2 357.502 1.295 20 30 FDEDLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330240433 825761923 /nfs/dbraw/zinc/76/19/23/825761923.db2.gz BKTPKQXZGOFEAR-IAGOWNOFSA-N 2 2 360.506 1.214 20 30 FDEDLP C[N@H+]1CCCC[C@@H]1CN1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330240433 825761933 /nfs/dbraw/zinc/76/19/33/825761933.db2.gz BKTPKQXZGOFEAR-IAGOWNOFSA-N 2 2 360.506 1.214 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079003 826130252 /nfs/dbraw/zinc/13/02/52/826130252.db2.gz IPQDGDBUJNLAOP-HBFSDRIKSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079003 826130253 /nfs/dbraw/zinc/13/02/53/826130253.db2.gz IPQDGDBUJNLAOP-HBFSDRIKSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079003 826130254 /nfs/dbraw/zinc/13/02/54/826130254.db2.gz IPQDGDBUJNLAOP-HBFSDRIKSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079003 826130255 /nfs/dbraw/zinc/13/02/55/826130255.db2.gz IPQDGDBUJNLAOP-HBFSDRIKSA-N 2 2 359.514 1.433 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000246003852 835791657 /nfs/dbraw/zinc/79/16/57/835791657.db2.gz JNRCOJYFDHAJMI-QYZOEREBSA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000246003852 835791662 /nfs/dbraw/zinc/79/16/62/835791662.db2.gz JNRCOJYFDHAJMI-QYZOEREBSA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000246003852 835791671 /nfs/dbraw/zinc/79/16/71/835791671.db2.gz JNRCOJYFDHAJMI-QYZOEREBSA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000246003852 835791677 /nfs/dbraw/zinc/79/16/77/835791677.db2.gz JNRCOJYFDHAJMI-QYZOEREBSA-N 2 2 361.534 1.095 20 30 FDEDLP C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261971676 837380069 /nfs/dbraw/zinc/38/00/69/837380069.db2.gz MYSJYJUZOJJLNZ-ZWKOTPCHSA-N 2 2 363.550 1.627 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cnn(CC)c2)[C@@H]1C ZINC001088631346 838603523 /nfs/dbraw/zinc/60/35/23/838603523.db2.gz GKNANUUYNFPSDG-NEWSRXKRSA-N 2 2 357.502 1.122 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(CC)c2)[C@@H]1C ZINC001088631346 838603524 /nfs/dbraw/zinc/60/35/24/838603524.db2.gz GKNANUUYNFPSDG-NEWSRXKRSA-N 2 2 357.502 1.122 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(CC)c2)[C@@H]1C ZINC001088631346 838603529 /nfs/dbraw/zinc/60/35/29/838603529.db2.gz GKNANUUYNFPSDG-NEWSRXKRSA-N 2 2 357.502 1.122 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(CC)c2)[C@@H]1C ZINC001088631346 838603539 /nfs/dbraw/zinc/60/35/39/838603539.db2.gz GKNANUUYNFPSDG-NEWSRXKRSA-N 2 2 357.502 1.122 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105622423 842246842 /nfs/dbraw/zinc/24/68/42/842246842.db2.gz AMRRMLMJDYXCRN-XNFNUYLZSA-N 2 2 360.502 1.885 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637874 842274340 /nfs/dbraw/zinc/27/43/40/842274340.db2.gz WTWIKJYORWSONG-HNBVOPMISA-N 2 2 358.486 1.332 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637874 842274345 /nfs/dbraw/zinc/27/43/45/842274345.db2.gz WTWIKJYORWSONG-HNBVOPMISA-N 2 2 358.486 1.332 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105667687 843682104 /nfs/dbraw/zinc/68/21/04/843682104.db2.gz DBWGVBKAJZOPBI-LFGUQSLTSA-N 2 2 360.502 1.803 20 30 FDEDLP N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)ccc1F ZINC001076632540 848617109 /nfs/dbraw/zinc/61/71/09/848617109.db2.gz GYRPTNDVQVHGJN-MAUKXSAKSA-N 2 2 353.401 1.627 20 30 FDEDLP N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)ccc1F ZINC001076632540 848617115 /nfs/dbraw/zinc/61/71/15/848617115.db2.gz GYRPTNDVQVHGJN-MAUKXSAKSA-N 2 2 353.401 1.627 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2CC)C[C@H]1O ZINC001077158562 849952194 /nfs/dbraw/zinc/95/21/94/849952194.db2.gz LRKIGFXOGOVMGG-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2CC)C[C@H]1O ZINC001077158562 849952201 /nfs/dbraw/zinc/95/22/01/849952201.db2.gz LRKIGFXOGOVMGG-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2CC)C[C@H]1O ZINC001077158562 849952209 /nfs/dbraw/zinc/95/22/09/849952209.db2.gz LRKIGFXOGOVMGG-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2CC)C[C@H]1O ZINC001077158562 849952211 /nfs/dbraw/zinc/95/22/11/849952211.db2.gz LRKIGFXOGOVMGG-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1O ZINC001077159029 849954403 /nfs/dbraw/zinc/95/44/03/849954403.db2.gz KRIACEGETKSLKG-CEXWTWQISA-N 2 2 359.514 1.216 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1O ZINC001077159029 849954408 /nfs/dbraw/zinc/95/44/08/849954408.db2.gz KRIACEGETKSLKG-CEXWTWQISA-N 2 2 359.514 1.216 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC3(CC3)CC2)C[C@H]1O ZINC001077159029 849954412 /nfs/dbraw/zinc/95/44/12/849954412.db2.gz KRIACEGETKSLKG-CEXWTWQISA-N 2 2 359.514 1.216 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC3(CC3)CC2)C[C@H]1O ZINC001077159029 849954417 /nfs/dbraw/zinc/95/44/17/849954417.db2.gz KRIACEGETKSLKG-CEXWTWQISA-N 2 2 359.514 1.216 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001077159172 849955458 /nfs/dbraw/zinc/95/54/58/849955458.db2.gz RWARCPGRKMGXMI-IXDOHACOSA-N 2 2 369.456 1.071 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001077159172 849955463 /nfs/dbraw/zinc/95/54/63/849955463.db2.gz RWARCPGRKMGXMI-IXDOHACOSA-N 2 2 369.456 1.071 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001077159172 849955464 /nfs/dbraw/zinc/95/54/64/849955464.db2.gz RWARCPGRKMGXMI-IXDOHACOSA-N 2 2 369.456 1.071 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001077159172 849955471 /nfs/dbraw/zinc/95/54/71/849955471.db2.gz RWARCPGRKMGXMI-IXDOHACOSA-N 2 2 369.456 1.071 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001033183613 881684998 /nfs/dbraw/zinc/68/49/98/881684998.db2.gz COYXTHLHWVTOHI-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001033183613 881685004 /nfs/dbraw/zinc/68/50/04/881685004.db2.gz COYXTHLHWVTOHI-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001033183613 881685011 /nfs/dbraw/zinc/68/50/11/881685011.db2.gz COYXTHLHWVTOHI-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001033183613 881685018 /nfs/dbraw/zinc/68/50/18/881685018.db2.gz COYXTHLHWVTOHI-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991976042 866694339 /nfs/dbraw/zinc/69/43/39/866694339.db2.gz QFXHMRCDOCFHSG-AJYBTWMASA-N 2 2 363.502 1.165 20 30 FDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991976042 866694348 /nfs/dbraw/zinc/69/43/48/866694348.db2.gz QFXHMRCDOCFHSG-AJYBTWMASA-N 2 2 363.502 1.165 20 30 FDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001106144220 871376455 /nfs/dbraw/zinc/37/64/55/871376455.db2.gz WICWNQMYCOASGW-NCXUSEDFSA-N 2 2 354.498 1.861 20 30 FDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@@H+]1C ZINC001083727333 874482316 /nfs/dbraw/zinc/48/23/16/874482316.db2.gz XUJKFHUFGGCJSD-CLROSIBMSA-N 2 2 362.499 1.011 20 30 FDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@H+]1C ZINC001083727333 874482321 /nfs/dbraw/zinc/48/23/21/874482321.db2.gz XUJKFHUFGGCJSD-CLROSIBMSA-N 2 2 362.499 1.011 20 30 FDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[NH+]1C ZINC001083727333 874482327 /nfs/dbraw/zinc/48/23/27/874482327.db2.gz XUJKFHUFGGCJSD-CLROSIBMSA-N 2 2 362.499 1.011 20 30 FDEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[NH+]1C ZINC001083727333 874482334 /nfs/dbraw/zinc/48/23/34/874482334.db2.gz XUJKFHUFGGCJSD-CLROSIBMSA-N 2 2 362.499 1.011 20 30 FDEDLP C#CCOc1ccc(Br)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000762569049 876148050 /nfs/dbraw/zinc/14/80/50/876148050.db2.gz QDHZYRCJODNWOV-MRXNPFEDSA-N 2 2 353.260 1.617 20 30 FDEDLP C#CCOc1ccc(Br)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000762569049 876148055 /nfs/dbraw/zinc/14/80/55/876148055.db2.gz QDHZYRCJODNWOV-MRXNPFEDSA-N 2 2 353.260 1.617 20 30 FDEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083832826 879241962 /nfs/dbraw/zinc/24/19/62/879241962.db2.gz WUIBKNOWZCPIDF-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083832826 879241984 /nfs/dbraw/zinc/24/19/84/879241984.db2.gz WUIBKNOWZCPIDF-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083832826 879242002 /nfs/dbraw/zinc/24/20/02/879242002.db2.gz WUIBKNOWZCPIDF-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083832826 879242029 /nfs/dbraw/zinc/24/20/29/879242029.db2.gz WUIBKNOWZCPIDF-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC1 ZINC001083833843 879289528 /nfs/dbraw/zinc/28/95/28/879289528.db2.gz YNYOQFDNTTXZHL-SJORKVTESA-N 2 2 362.499 1.013 20 30 FDEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC1 ZINC001083833843 879289550 /nfs/dbraw/zinc/28/95/50/879289550.db2.gz YNYOQFDNTTXZHL-SJORKVTESA-N 2 2 362.499 1.013 20 30 FDEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004262 884993900 /nfs/dbraw/zinc/99/39/00/884993900.db2.gz NUTDAYUQGHOHBS-OAGGEKHMSA-N 2 2 357.462 1.216 20 30 FDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004262 884993906 /nfs/dbraw/zinc/99/39/06/884993906.db2.gz NUTDAYUQGHOHBS-OAGGEKHMSA-N 2 2 357.462 1.216 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC1 ZINC000921874474 892367380 /nfs/dbraw/zinc/36/73/80/892367380.db2.gz USZPJAMZUVMXDY-UHFFFAOYSA-N 2 2 355.486 1.887 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3c(C)onc3CC)C[C@H]21 ZINC001084417927 914376203 /nfs/dbraw/zinc/37/62/03/914376203.db2.gz MNQRBTGBBKEZCL-LSTHTHJFSA-N 2 2 370.497 1.676 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3c(C)onc3CC)C[C@H]21 ZINC001084417927 914376220 /nfs/dbraw/zinc/37/62/20/914376220.db2.gz MNQRBTGBBKEZCL-LSTHTHJFSA-N 2 2 370.497 1.676 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3c(C)onc3CC)C[C@H]21 ZINC001084417927 914376226 /nfs/dbraw/zinc/37/62/26/914376226.db2.gz MNQRBTGBBKEZCL-LSTHTHJFSA-N 2 2 370.497 1.676 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3c(C)onc3CC)C[C@H]21 ZINC001084417927 914376246 /nfs/dbraw/zinc/37/62/46/914376246.db2.gz MNQRBTGBBKEZCL-LSTHTHJFSA-N 2 2 370.497 1.676 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001107044454 900082733 /nfs/dbraw/zinc/08/27/33/900082733.db2.gz BQLORINPQHUXKH-BHIYHBOVSA-N 2 2 358.486 1.018 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129312691 901276306 /nfs/dbraw/zinc/27/63/06/901276306.db2.gz LOYXDURARXAHKZ-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129312691 901276324 /nfs/dbraw/zinc/27/63/24/901276324.db2.gz LOYXDURARXAHKZ-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129312691 901276335 /nfs/dbraw/zinc/27/63/35/901276335.db2.gz LOYXDURARXAHKZ-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129312691 901276344 /nfs/dbraw/zinc/27/63/44/901276344.db2.gz LOYXDURARXAHKZ-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079239520 902186937 /nfs/dbraw/zinc/18/69/37/902186937.db2.gz YLMOVFJIUJUGRD-DLBZAZTESA-N 2 2 356.470 1.305 20 30 FDEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079254657 902280947 /nfs/dbraw/zinc/28/09/47/902280947.db2.gz NYCZLUZKIUHBDC-ZWKOTPCHSA-N 2 2 358.486 1.789 20 30 FDEDLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21)C1CC1 ZINC001084406172 914624599 /nfs/dbraw/zinc/62/45/99/914624599.db2.gz IFIALCOVARDMDW-ZTFGCOKTSA-N 2 2 358.511 1.993 20 30 FDEDLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21)C1CC1 ZINC001084406172 914624603 /nfs/dbraw/zinc/62/46/03/914624603.db2.gz IFIALCOVARDMDW-ZTFGCOKTSA-N 2 2 358.511 1.993 20 30 FDEDLP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991465 903820236 /nfs/dbraw/zinc/82/02/36/903820236.db2.gz JBTCZLNTNXGSKN-YFVAEKQCSA-N 2 2 362.477 1.934 20 30 FDEDLP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991465 903820245 /nfs/dbraw/zinc/82/02/45/903820245.db2.gz JBTCZLNTNXGSKN-YFVAEKQCSA-N 2 2 362.477 1.934 20 30 FDEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001107212257 903957243 /nfs/dbraw/zinc/95/72/43/903957243.db2.gz WTSGEIZZFAROPZ-IAGOWNOFSA-N 2 2 369.473 1.254 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001107469778 905084133 /nfs/dbraw/zinc/08/41/33/905084133.db2.gz LEJAYLIHDPVPEJ-WIYYLYMNSA-N 2 2 366.465 1.959 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001107469778 905084152 /nfs/dbraw/zinc/08/41/52/905084152.db2.gz LEJAYLIHDPVPEJ-WIYYLYMNSA-N 2 2 366.465 1.959 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893787 905335723 /nfs/dbraw/zinc/33/57/23/905335723.db2.gz CVZRRWUBEQSKOQ-RTBURBONSA-N 2 2 368.481 1.502 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893787 905335735 /nfs/dbraw/zinc/33/57/35/905335735.db2.gz CVZRRWUBEQSKOQ-RTBURBONSA-N 2 2 368.481 1.502 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082549688 908489247 /nfs/dbraw/zinc/48/92/47/908489247.db2.gz UDGNQIGAMHJEHH-FZKQIMNGSA-N 2 2 355.417 1.990 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082549688 908489263 /nfs/dbraw/zinc/48/92/63/908489263.db2.gz UDGNQIGAMHJEHH-FZKQIMNGSA-N 2 2 355.417 1.990 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncoc2C(C)C)C1 ZINC001082568407 908708324 /nfs/dbraw/zinc/70/83/24/908708324.db2.gz TZARPRRVFNVGCR-NXHRZFHOSA-N 2 2 358.486 1.832 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncoc2C(C)C)C1 ZINC001082568407 908708332 /nfs/dbraw/zinc/70/83/32/908708332.db2.gz TZARPRRVFNVGCR-NXHRZFHOSA-N 2 2 358.486 1.832 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082601065 908966241 /nfs/dbraw/zinc/96/62/41/908966241.db2.gz KQDUEWKVQYROAG-XFQXTVEOSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082673593 909515947 /nfs/dbraw/zinc/51/59/47/909515947.db2.gz ZONUXQOVWJEXKZ-RDTXWAMCSA-N 2 2 355.417 1.921 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082861197 910489134 /nfs/dbraw/zinc/48/91/34/910489134.db2.gz NSPZHBFCVOQXHL-FZKQIMNGSA-N 2 2 355.417 1.610 20 30 FDEDLP C=CCC[NH+]1C[C@H]2OCCN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)[C@H]2C1 ZINC001083088976 911964341 /nfs/dbraw/zinc/96/43/41/911964341.db2.gz LIBFHXCOHNSJIT-OKZBNKHCSA-N 2 2 359.474 1.278 20 30 FDEDLP C=CCC[NH+]1C[C@H]2OCCN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)[C@H]2C1 ZINC001083088976 911964350 /nfs/dbraw/zinc/96/43/50/911964350.db2.gz LIBFHXCOHNSJIT-OKZBNKHCSA-N 2 2 359.474 1.278 20 30 FDEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)[C@H]2C1 ZINC001083088976 911964353 /nfs/dbraw/zinc/96/43/53/911964353.db2.gz LIBFHXCOHNSJIT-OKZBNKHCSA-N 2 2 359.474 1.278 20 30 FDEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)[C@H]2C1 ZINC001083088976 911964354 /nfs/dbraw/zinc/96/43/54/911964354.db2.gz LIBFHXCOHNSJIT-OKZBNKHCSA-N 2 2 359.474 1.278 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001084910972 918246751 /nfs/dbraw/zinc/24/67/51/918246751.db2.gz JYFMJEAMKJUHMJ-HSALFYBXSA-N 2 2 368.481 1.312 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001084910972 918246766 /nfs/dbraw/zinc/24/67/66/918246766.db2.gz JYFMJEAMKJUHMJ-HSALFYBXSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001084910972 918246781 /nfs/dbraw/zinc/24/67/81/918246781.db2.gz JYFMJEAMKJUHMJ-HSALFYBXSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001084910972 918246798 /nfs/dbraw/zinc/24/67/98/918246798.db2.gz JYFMJEAMKJUHMJ-HSALFYBXSA-N 2 2 368.481 1.312 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085158989 921876466 /nfs/dbraw/zinc/87/64/66/921876466.db2.gz DJHBSRLHOPGQRA-GUDVDZBRSA-N 2 2 356.470 1.406 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085158989 921876482 /nfs/dbraw/zinc/87/64/82/921876482.db2.gz DJHBSRLHOPGQRA-GUDVDZBRSA-N 2 2 356.470 1.406 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109528850 929684893 /nfs/dbraw/zinc/68/48/93/929684893.db2.gz NCMBPHLXIPPVOO-AYBZRNKSSA-N 2 2 356.470 1.133 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109528850 929684898 /nfs/dbraw/zinc/68/48/98/929684898.db2.gz NCMBPHLXIPPVOO-AYBZRNKSSA-N 2 2 356.470 1.133 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109857901 930611032 /nfs/dbraw/zinc/61/10/32/930611032.db2.gz JADVLCSCPTVPFE-VUHPKUFZSA-N 2 2 364.534 1.377 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109857901 930611035 /nfs/dbraw/zinc/61/10/35/930611035.db2.gz JADVLCSCPTVPFE-VUHPKUFZSA-N 2 2 364.534 1.377 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129910067 938549629 /nfs/dbraw/zinc/54/96/29/938549629.db2.gz BFHZWJCQYAJFBO-MSOLQXFVSA-N 2 2 365.441 1.776 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000628 938607759 /nfs/dbraw/zinc/60/77/59/938607759.db2.gz HJCOFXIYROHFOH-IMJJTQAJSA-N 2 2 355.446 1.039 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130637840 939939854 /nfs/dbraw/zinc/93/98/54/939939854.db2.gz OFYACUIPBYAWTG-JENIJYKNSA-N 2 2 370.501 1.946 20 30 FDEDLP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]([NH3+])CCCC#N)n3)cn2)CC1 ZINC000822957035 945334224 /nfs/dbraw/zinc/33/42/24/945334224.db2.gz VDUIQMPUTNNBMS-HNNXBMFYSA-N 2 2 355.446 1.967 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001086720782 941619834 /nfs/dbraw/zinc/61/98/34/941619834.db2.gz NZFWKANFSQDZAO-UAGQMJEPSA-N 2 2 370.501 1.154 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001086720782 941619837 /nfs/dbraw/zinc/61/98/37/941619837.db2.gz NZFWKANFSQDZAO-UAGQMJEPSA-N 2 2 370.501 1.154 20 30 FDEDLP C#CC[NH+](C)CCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817786595 942977899 /nfs/dbraw/zinc/97/78/99/942977899.db2.gz ZKHHCMYNIIKLFQ-UHFFFAOYSA-N 3 2 363.550 1.143 20 30 FDEDLP C#CC[NH+](C)CCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817786595 942977903 /nfs/dbraw/zinc/97/79/03/942977903.db2.gz ZKHHCMYNIIKLFQ-UHFFFAOYSA-N 3 2 363.550 1.143 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000817786595 942977904 /nfs/dbraw/zinc/97/79/04/942977904.db2.gz ZKHHCMYNIIKLFQ-UHFFFAOYSA-N 3 2 363.550 1.143 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000817786595 942977906 /nfs/dbraw/zinc/97/79/06/942977906.db2.gz ZKHHCMYNIIKLFQ-UHFFFAOYSA-N 3 2 363.550 1.143 20 30 FDEDLP C#CCOc1cc(F)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000821324596 944418592 /nfs/dbraw/zinc/41/85/92/944418592.db2.gz CWHLDKWGZYUBLZ-UHFFFAOYSA-N 2 2 350.438 1.843 20 30 FDEDLP C#CCOc1cc(F)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000821324596 944418595 /nfs/dbraw/zinc/41/85/95/944418595.db2.gz CWHLDKWGZYUBLZ-UHFFFAOYSA-N 2 2 350.438 1.843 20 30 FDEDLP COC(=O)c1ccc(C(=[NH2+])Nc2ccc(C[C@H]([NH3+])C(=O)OC)cc2)cc1 ZINC001170985237 944947717 /nfs/dbraw/zinc/94/77/17/944947717.db2.gz OHMPVGLUWHBCEN-INIZCTEOSA-N 2 2 355.394 1.553 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N2CCOCC2)nc(C)[nH+]1 ZINC001171068582 946777618 /nfs/dbraw/zinc/77/76/18/946777618.db2.gz ORNHJJSGNCMMJY-HNNXBMFYSA-N 2 2 363.462 1.260 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N2CCOCC2)[nH+]c(C)n1 ZINC001171068582 946777629 /nfs/dbraw/zinc/77/76/29/946777629.db2.gz ORNHJJSGNCMMJY-HNNXBMFYSA-N 2 2 363.462 1.260 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086984904 952999938 /nfs/dbraw/zinc/99/99/38/952999938.db2.gz JNQZOLYUHQUPHZ-BPQIPLTHSA-N 2 2 368.485 1.339 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nccc(C)n2)C[C@H]1C ZINC001092689395 956196250 /nfs/dbraw/zinc/19/62/50/956196250.db2.gz KVHQCIWCCCVTOI-NXHRZFHOSA-N 2 2 355.486 1.067 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nccc(C)n2)C[C@H]1C ZINC001092689395 956196253 /nfs/dbraw/zinc/19/62/53/956196253.db2.gz KVHQCIWCCCVTOI-NXHRZFHOSA-N 2 2 355.486 1.067 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nccc(C)n2)C[C@H]1C ZINC001092689395 956196257 /nfs/dbraw/zinc/19/62/57/956196257.db2.gz KVHQCIWCCCVTOI-NXHRZFHOSA-N 2 2 355.486 1.067 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nccc(C)n2)C[C@H]1C ZINC001092689395 956196262 /nfs/dbraw/zinc/19/62/62/956196262.db2.gz KVHQCIWCCCVTOI-NXHRZFHOSA-N 2 2 355.486 1.067 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnsn3)C[C@H]2C)CC1 ZINC001093223535 957854453 /nfs/dbraw/zinc/85/44/53/957854453.db2.gz AYSKJCLHKNRYSN-GDBMZVCRSA-N 2 2 361.515 1.067 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnsn3)C[C@H]2C)CC1 ZINC001093223535 957854467 /nfs/dbraw/zinc/85/44/67/957854467.db2.gz AYSKJCLHKNRYSN-GDBMZVCRSA-N 2 2 361.515 1.067 20 30 FDEDLP C[NH+]1CCN(C2C[NH+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)CC1 ZINC001173434262 962157217 /nfs/dbraw/zinc/15/72/17/962157217.db2.gz HKVKMQREEUGYEH-UHFFFAOYSA-N 2 2 367.497 1.094 20 30 FDEDLP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001182669280 962380627 /nfs/dbraw/zinc/38/06/27/962380627.db2.gz KKPKVJYGBVGVBM-WOCWXWTJSA-N 2 2 360.502 1.800 20 30 FDEDLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831176 963301756 /nfs/dbraw/zinc/30/17/56/963301756.db2.gz LVSONWSCQFWGPF-ZCNNSNEGSA-N 2 2 352.482 1.933 20 30 FDEDLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831176 963301761 /nfs/dbraw/zinc/30/17/61/963301761.db2.gz LVSONWSCQFWGPF-ZCNNSNEGSA-N 2 2 352.482 1.933 20 30 FDEDLP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831176 963301771 /nfs/dbraw/zinc/30/17/71/963301771.db2.gz LVSONWSCQFWGPF-ZCNNSNEGSA-N 2 2 352.482 1.933 20 30 FDEDLP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831176 963301780 /nfs/dbraw/zinc/30/17/80/963301780.db2.gz LVSONWSCQFWGPF-ZCNNSNEGSA-N 2 2 352.482 1.933 20 30 FDEDLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830567 963301801 /nfs/dbraw/zinc/30/18/01/963301801.db2.gz FPOMEVSLBOFEPR-VQTJNVASSA-N 2 2 370.497 1.702 20 30 FDEDLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830567 963301811 /nfs/dbraw/zinc/30/18/11/963301811.db2.gz FPOMEVSLBOFEPR-VQTJNVASSA-N 2 2 370.497 1.702 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCn2cc[nH+]c2)C3)C1=O ZINC001110193286 963380445 /nfs/dbraw/zinc/38/04/45/963380445.db2.gz XZGHUNBNILTZDH-OWSLCNJRSA-N 2 2 371.485 1.172 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCn2cc[nH+]c2)C3)C1=O ZINC001110193286 963380453 /nfs/dbraw/zinc/38/04/53/963380453.db2.gz XZGHUNBNILTZDH-OWSLCNJRSA-N 2 2 371.485 1.172 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC001199359589 974211908 /nfs/dbraw/zinc/21/19/08/974211908.db2.gz PCTJVXFTGHNVNP-UHFFFAOYSA-N 2 2 353.401 1.774 20 30 FDEDLP CC(C)[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000867963552 977148046 /nfs/dbraw/zinc/14/80/46/977148046.db2.gz XEZWZFSPICMMPX-OALUTQOASA-N 2 2 356.470 1.218 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000884268803 983041752 /nfs/dbraw/zinc/04/17/52/983041752.db2.gz USSUXCCDIVNHRC-GBESFXJTSA-N 2 2 373.497 1.632 20 30 FDEDLP C[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000884319697 983080924 /nfs/dbraw/zinc/08/09/24/983080924.db2.gz BGOREZQGPULTGK-NQXRVZIKSA-N 2 2 374.435 1.966 20 30 FDEDLP C[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000884319697 983080931 /nfs/dbraw/zinc/08/09/31/983080931.db2.gz BGOREZQGPULTGK-NQXRVZIKSA-N 2 2 374.435 1.966 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000366126046 988440809 /nfs/dbraw/zinc/44/08/09/988440809.db2.gz LUJSBHAGLQCBLP-INIZCTEOSA-N 2 2 355.438 1.052 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000366126046 988440817 /nfs/dbraw/zinc/44/08/17/988440817.db2.gz LUJSBHAGLQCBLP-INIZCTEOSA-N 2 2 355.438 1.052 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362705439 988710147 /nfs/dbraw/zinc/71/01/47/988710147.db2.gz LTPIDGUWBFFQAZ-RDJZCZTQSA-N 2 2 356.470 1.610 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362705439 988710156 /nfs/dbraw/zinc/71/01/56/988710156.db2.gz LTPIDGUWBFFQAZ-RDJZCZTQSA-N 2 2 356.470 1.610 20 30 FDEDLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876909858 992963372 /nfs/dbraw/zinc/96/33/72/992963372.db2.gz KMGVSRLAANKNMQ-GOSISDBHSA-N 2 2 364.453 1.264 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1scnc1C ZINC001095556547 993448394 /nfs/dbraw/zinc/44/83/94/993448394.db2.gz YKAKLRBKWDLYJL-QZWWFDLISA-N 2 2 358.511 1.771 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1scnc1C ZINC001095556547 993448400 /nfs/dbraw/zinc/44/84/00/993448400.db2.gz YKAKLRBKWDLYJL-QZWWFDLISA-N 2 2 358.511 1.771 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1scnc1C ZINC001095556547 993448410 /nfs/dbraw/zinc/44/84/10/993448410.db2.gz YKAKLRBKWDLYJL-QZWWFDLISA-N 2 2 358.511 1.771 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1scnc1C ZINC001095556547 993448419 /nfs/dbraw/zinc/44/84/19/993448419.db2.gz YKAKLRBKWDLYJL-QZWWFDLISA-N 2 2 358.511 1.771 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC#Cc2ccccc2)O1 ZINC001095610340 993777140 /nfs/dbraw/zinc/77/71/40/993777140.db2.gz JOOSSPHNCPLVCW-BVJIBDCISA-N 2 2 367.493 1.479 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC#Cc2ccccc2)O1 ZINC001095610340 993777146 /nfs/dbraw/zinc/77/71/46/993777146.db2.gz JOOSSPHNCPLVCW-BVJIBDCISA-N 2 2 367.493 1.479 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)O1 ZINC001095610340 993777152 /nfs/dbraw/zinc/77/71/52/993777152.db2.gz JOOSSPHNCPLVCW-BVJIBDCISA-N 2 2 367.493 1.479 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)O1 ZINC001095610340 993777161 /nfs/dbraw/zinc/77/71/61/993777161.db2.gz JOOSSPHNCPLVCW-BVJIBDCISA-N 2 2 367.493 1.479 20 30 FDEDLP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000968962658 1015954200 /nfs/dbraw/zinc/95/42/00/1015954200.db2.gz KYKYOHGRPCQORJ-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000968962658 1015954204 /nfs/dbraw/zinc/95/42/04/1015954204.db2.gz KYKYOHGRPCQORJ-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000284147508 999778202 /nfs/dbraw/zinc/77/82/02/999778202.db2.gz YVFWZVDCYBWBBU-SJORKVTESA-N 2 2 361.490 1.203 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000932143774 1004792694 /nfs/dbraw/zinc/79/26/94/1004792694.db2.gz IXAWBXLYFVVJJK-MSOLQXFVSA-N 2 2 351.491 1.023 20 30 FDEDLP C=CCc1cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc(OC)c1O ZINC000530242637 539919203 /nfs/dbraw/zinc/91/92/03/539919203.db2.gz MQRMBKDLCJHMEO-UHFFFAOYSA-N 2 2 374.485 1.272 20 30 FDEDLP C=CCOc1cccnc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000539371599 540952460 /nfs/dbraw/zinc/95/24/60/540952460.db2.gz DWJKIVDQGBZNQW-UHFFFAOYSA-N 2 2 358.486 1.935 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332072002 259239033 /nfs/dbraw/zinc/23/90/33/259239033.db2.gz WDFLQPKOTQCRIB-MBOZVWFJSA-N 2 2 369.513 1.843 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332072002 259239034 /nfs/dbraw/zinc/23/90/34/259239034.db2.gz WDFLQPKOTQCRIB-MBOZVWFJSA-N 2 2 369.513 1.843 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332409586 259264296 /nfs/dbraw/zinc/26/42/96/259264296.db2.gz ZQTQTZGACVIROX-OXJNMPFZSA-N 2 2 370.497 1.873 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332409586 259264297 /nfs/dbraw/zinc/26/42/97/259264297.db2.gz ZQTQTZGACVIROX-OXJNMPFZSA-N 2 2 370.497 1.873 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069855969 521964441 /nfs/dbraw/zinc/96/44/41/521964441.db2.gz FIPQTNNJZKKFFJ-MOPGFXCFSA-N 2 2 359.470 1.342 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069855969 521964453 /nfs/dbraw/zinc/96/44/53/521964453.db2.gz FIPQTNNJZKKFFJ-MOPGFXCFSA-N 2 2 359.470 1.342 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(OC)c2)CC1 ZINC000057154077 522015043 /nfs/dbraw/zinc/01/50/43/522015043.db2.gz YOZIJTMGIOMINA-IBGZPJMESA-N 2 2 366.465 1.980 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC000057170965 522021174 /nfs/dbraw/zinc/02/11/74/522021174.db2.gz IDWIBDNLDCXQTP-NRFANRHFSA-N 2 2 369.509 1.830 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC000057172148 522022231 /nfs/dbraw/zinc/02/22/31/522022231.db2.gz MCWBTNHXEBYSGO-INIZCTEOSA-N 2 2 356.470 1.268 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000077281291 523281347 /nfs/dbraw/zinc/28/13/47/523281347.db2.gz YFGYMWNXNSSKCP-UHFFFAOYSA-N 2 2 372.469 1.186 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000091629007 524747782 /nfs/dbraw/zinc/74/77/82/524747782.db2.gz LWGMVOBBVLHAEU-QYZOEREBSA-N 2 2 372.517 1.458 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000091629007 524747792 /nfs/dbraw/zinc/74/77/92/524747792.db2.gz LWGMVOBBVLHAEU-QYZOEREBSA-N 2 2 372.517 1.458 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162775564 525317234 /nfs/dbraw/zinc/31/72/34/525317234.db2.gz XQGAJRMYTQSHGK-KRWDZBQOSA-N 2 2 372.469 1.184 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162775564 525317243 /nfs/dbraw/zinc/31/72/43/525317243.db2.gz XQGAJRMYTQSHGK-KRWDZBQOSA-N 2 2 372.469 1.184 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000118834418 525553021 /nfs/dbraw/zinc/55/30/21/525553021.db2.gz BUTMQNBLCNGSPW-WOJBJXKFSA-N 2 2 367.497 1.375 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000118834418 525553027 /nfs/dbraw/zinc/55/30/27/525553027.db2.gz BUTMQNBLCNGSPW-WOJBJXKFSA-N 2 2 367.497 1.375 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1c[nH+]ccc1OC)C(C)C ZINC000119560058 525785441 /nfs/dbraw/zinc/78/54/41/525785441.db2.gz QDGNUYDVGUHUTA-INIZCTEOSA-N 2 2 360.458 1.844 20 30 FDEDLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cc(C#N)ccc1F ZINC000155415794 525857328 /nfs/dbraw/zinc/85/73/28/525857328.db2.gz ORBSDOLEGNKCGO-UHFFFAOYSA-N 2 2 354.433 1.871 20 30 FDEDLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cc(C#N)ccc1F ZINC000155415794 525857339 /nfs/dbraw/zinc/85/73/39/525857339.db2.gz ORBSDOLEGNKCGO-UHFFFAOYSA-N 2 2 354.433 1.871 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)CC1 ZINC000107369949 525880653 /nfs/dbraw/zinc/88/06/53/525880653.db2.gz RPKJNKQEWSUENT-SFHVURJKSA-N 2 2 361.534 1.383 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)CC1 ZINC000107369949 525880660 /nfs/dbraw/zinc/88/06/60/525880660.db2.gz RPKJNKQEWSUENT-SFHVURJKSA-N 2 2 361.534 1.383 20 30 FDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133460289 526061477 /nfs/dbraw/zinc/06/14/77/526061477.db2.gz TWFHVDNQVKRCIT-RBUKOAKNSA-N 2 2 369.513 1.054 20 30 FDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133460289 526061488 /nfs/dbraw/zinc/06/14/88/526061488.db2.gz TWFHVDNQVKRCIT-RBUKOAKNSA-N 2 2 369.513 1.054 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000171709690 526089616 /nfs/dbraw/zinc/08/96/16/526089616.db2.gz HHEYJYHMHVAFTF-UHFFFAOYSA-N 2 2 359.474 1.368 20 30 FDEDLP CCOC1CC(C[NH+]=C(NCc2ccccc2)N(C)C)([NH+]2CCOCC2)C1 ZINC000193827034 537255889 /nfs/dbraw/zinc/25/58/89/537255889.db2.gz LMMMEHQUYOKCSX-UHFFFAOYSA-N 2 2 374.529 1.964 20 30 FDEDLP COc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1C#N ZINC000289900742 537621004 /nfs/dbraw/zinc/62/10/04/537621004.db2.gz UIMBOUHGPSAQLI-UHFFFAOYSA-N 2 2 356.470 1.553 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330513596 537658102 /nfs/dbraw/zinc/65/81/02/537658102.db2.gz CTRSWZURMNITHF-FTEYMNFISA-N 2 2 363.550 1.387 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330513596 537658105 /nfs/dbraw/zinc/65/81/05/537658105.db2.gz CTRSWZURMNITHF-FTEYMNFISA-N 2 2 363.550 1.387 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285510725 537723215 /nfs/dbraw/zinc/72/32/15/537723215.db2.gz QWYNYQDAWPJZLO-IBGZPJMESA-N 2 2 371.529 1.497 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285510725 537723217 /nfs/dbraw/zinc/72/32/17/537723217.db2.gz QWYNYQDAWPJZLO-IBGZPJMESA-N 2 2 371.529 1.497 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000377833397 538033271 /nfs/dbraw/zinc/03/32/71/538033271.db2.gz YWOXEUFSRDTPSZ-MRXNPFEDSA-N 2 2 361.515 1.659 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000377833397 538033277 /nfs/dbraw/zinc/03/32/77/538033277.db2.gz YWOXEUFSRDTPSZ-MRXNPFEDSA-N 2 2 361.515 1.659 20 30 FDEDLP N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(c3[nH]cc[nH+]3)CC1)CCC2 ZINC000569822929 549061327 /nfs/dbraw/zinc/06/13/27/549061327.db2.gz YEWHNXJVRLJXCS-UHFFFAOYSA-N 2 2 370.482 1.982 20 30 FDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930615 551033665 /nfs/dbraw/zinc/03/36/65/551033665.db2.gz QSKDFFNUTXVANL-LPHOPBHVSA-N 2 2 359.470 1.483 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000582720220 551259213 /nfs/dbraw/zinc/25/92/13/551259213.db2.gz FVXQTIFULIPKEG-SFHVURJKSA-N 2 2 350.422 1.972 20 30 FDEDLP CC(C)(C)[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000584715221 551534792 /nfs/dbraw/zinc/53/47/92/551534792.db2.gz MJENKCUZNBUEJE-UHFFFAOYSA-N 2 2 350.488 1.579 20 30 FDEDLP COc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589612541 551738136 /nfs/dbraw/zinc/73/81/36/551738136.db2.gz VNXZHFBDRFTIFJ-QGZVFWFLSA-N 2 2 371.485 1.535 20 30 FDEDLP COc1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589612541 551738138 /nfs/dbraw/zinc/73/81/38/551738138.db2.gz VNXZHFBDRFTIFJ-QGZVFWFLSA-N 2 2 371.485 1.535 20 30 FDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCn4c[nH+]cc4C3)CC2)c1 ZINC000593514706 552120702 /nfs/dbraw/zinc/12/07/02/552120702.db2.gz AAWRFWCSQXMABN-UHFFFAOYSA-N 2 2 364.453 1.945 20 30 FDEDLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594256723 552271991 /nfs/dbraw/zinc/27/19/91/552271991.db2.gz VQELFSQHMACURY-KDURUIRLSA-N 2 2 355.486 1.726 20 30 FDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000594714996 552362129 /nfs/dbraw/zinc/36/21/29/552362129.db2.gz WJAGDROVEOGPIL-LJQANCHMSA-N 2 2 358.486 1.910 20 30 FDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000594714996 552362131 /nfs/dbraw/zinc/36/21/31/552362131.db2.gz WJAGDROVEOGPIL-LJQANCHMSA-N 2 2 358.486 1.910 20 30 FDEDLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@H](CC#N)C3)CC2)cc1 ZINC000595621464 552594001 /nfs/dbraw/zinc/59/40/01/552594001.db2.gz VEOYLBDEWQXOIB-GOSISDBHSA-N 2 2 370.497 1.965 20 30 FDEDLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@H](CC#N)C3)CC2)cc1 ZINC000595621464 552594002 /nfs/dbraw/zinc/59/40/02/552594002.db2.gz VEOYLBDEWQXOIB-GOSISDBHSA-N 2 2 370.497 1.965 20 30 FDEDLP C[C@H]1C[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602858210 553652551 /nfs/dbraw/zinc/65/25/51/553652551.db2.gz QBBQVJFFJVYHIN-OALUTQOASA-N 2 2 369.513 1.249 20 30 FDEDLP N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)CCn3cc[nH+]c3)CC2)c1 ZINC000603371706 553773791 /nfs/dbraw/zinc/77/37/91/553773791.db2.gz QGMOZZDNBYVTJR-UHFFFAOYSA-N 2 2 373.482 1.339 20 30 FDEDLP FC(F)[C@H]1CC[N@H+](CC#CC[NH+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634758412 558522774 /nfs/dbraw/zinc/52/27/74/558522774.db2.gz OGXCGKCKFLDCRK-OKILXGFUSA-N 2 2 352.372 1.702 20 30 FDEDLP FC(F)[C@H]1CC[N@@H+](CC#CC[NH+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634758412 558522777 /nfs/dbraw/zinc/52/27/77/558522777.db2.gz OGXCGKCKFLDCRK-OKILXGFUSA-N 2 2 352.372 1.702 20 30 FDEDLP FC(F)[C@H]1CC[NH+](CC#CC[N@@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634758412 558522778 /nfs/dbraw/zinc/52/27/78/558522778.db2.gz OGXCGKCKFLDCRK-OKILXGFUSA-N 2 2 352.372 1.702 20 30 FDEDLP FC(F)[C@H]1CC[NH+](CC#CC[N@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634758412 558522779 /nfs/dbraw/zinc/52/27/79/558522779.db2.gz OGXCGKCKFLDCRK-OKILXGFUSA-N 2 2 352.372 1.702 20 30 FDEDLP CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261976010 672705323 /nfs/dbraw/zinc/70/53/23/672705323.db2.gz NQYQERDFSCCZCS-ZMSDIMECSA-N 2 2 351.520 1.600 20 30 FDEDLP C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261996308 672708438 /nfs/dbraw/zinc/70/84/38/672708438.db2.gz SMMVPADNRZYDDY-GJZGRUSLSA-N 2 2 369.535 1.555 20 30 FDEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCSCC1 ZINC000263286150 672869759 /nfs/dbraw/zinc/86/97/59/672869759.db2.gz UQYKESIXGIYYRD-MRXNPFEDSA-N 2 2 350.557 1.968 20 30 FDEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N1CCSCC1 ZINC000263286150 672869766 /nfs/dbraw/zinc/86/97/66/672869766.db2.gz UQYKESIXGIYYRD-MRXNPFEDSA-N 2 2 350.557 1.968 20 30 FDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C2 ZINC001112492965 773735545 /nfs/dbraw/zinc/73/55/45/773735545.db2.gz KZQGHGGNPMZLBS-ZJOUEHCJSA-N 2 2 359.514 1.339 20 30 FDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C2 ZINC001112492965 773735551 /nfs/dbraw/zinc/73/55/51/773735551.db2.gz KZQGHGGNPMZLBS-ZJOUEHCJSA-N 2 2 359.514 1.339 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367021 777928165 /nfs/dbraw/zinc/92/81/65/777928165.db2.gz DJWHNKLGRQNJOA-KURKYZTESA-N 2 2 358.486 1.170 20 30 FDEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001083239060 781726127 /nfs/dbraw/zinc/72/61/27/781726127.db2.gz QXNUBECVTKNZOF-ZWKOTPCHSA-N 2 2 353.426 1.369 20 30 FDEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001083239060 781726136 /nfs/dbraw/zinc/72/61/36/781726136.db2.gz QXNUBECVTKNZOF-ZWKOTPCHSA-N 2 2 353.426 1.369 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)c1 ZINC001083275114 786932095 /nfs/dbraw/zinc/93/20/95/786932095.db2.gz OSEKKRZQVFQLBS-RBUKOAKNSA-N 2 2 354.454 1.066 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)c1 ZINC001083275114 786932101 /nfs/dbraw/zinc/93/21/01/786932101.db2.gz OSEKKRZQVFQLBS-RBUKOAKNSA-N 2 2 354.454 1.066 20 30 FDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104577522 788348828 /nfs/dbraw/zinc/34/88/28/788348828.db2.gz ROQUYENNFBDFDG-QWFCFKBJSA-N 2 2 361.530 1.727 20 30 FDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104577522 788348834 /nfs/dbraw/zinc/34/88/34/788348834.db2.gz ROQUYENNFBDFDG-QWFCFKBJSA-N 2 2 361.530 1.727 20 30 FDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104577549 788350352 /nfs/dbraw/zinc/35/03/52/788350352.db2.gz SXELJDMCXLLMLB-QWFCFKBJSA-N 2 2 361.530 1.727 20 30 FDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104577549 788350358 /nfs/dbraw/zinc/35/03/58/788350358.db2.gz SXELJDMCXLLMLB-QWFCFKBJSA-N 2 2 361.530 1.727 20 30 FDEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC1(C#N)CCC1 ZINC000511809727 800255642 /nfs/dbraw/zinc/25/56/42/800255642.db2.gz MGPNKMILOXSUIV-UHFFFAOYSA-N 2 2 369.513 1.298 20 30 FDEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC1(C#N)CCC1 ZINC000511809727 800255645 /nfs/dbraw/zinc/25/56/45/800255645.db2.gz MGPNKMILOXSUIV-UHFFFAOYSA-N 2 2 369.513 1.298 20 30 FDEDLP C[C@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000262253848 811424193 /nfs/dbraw/zinc/42/41/93/811424193.db2.gz CKZDLFYQYCMPAT-DOTOQJQBSA-N 2 2 360.506 1.742 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000517005147 817164499 /nfs/dbraw/zinc/16/44/99/817164499.db2.gz XIQGZWILMPMXJQ-UHFFFAOYSA-N 2 2 370.478 1.986 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895686453 822698796 /nfs/dbraw/zinc/69/87/96/822698796.db2.gz RVZOAGGMCGBOJD-MOPGFXCFSA-N 2 2 364.534 1.472 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000329133676 824617880 /nfs/dbraw/zinc/61/78/80/824617880.db2.gz BHRQDHMMTGOBBN-QGZVFWFLSA-N 2 2 360.506 1.345 20 30 FDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330125620 825659285 /nfs/dbraw/zinc/65/92/85/825659285.db2.gz BQOBATLRMOWTTO-IAGOWNOFSA-N 2 2 361.490 1.601 20 30 FDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)C1 ZINC000528418321 829395693 /nfs/dbraw/zinc/39/56/93/829395693.db2.gz UVCYEJZJUBNUOX-MOPGFXCFSA-N 2 2 358.486 1.010 20 30 FDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)C1 ZINC000528418321 829395704 /nfs/dbraw/zinc/39/57/04/829395704.db2.gz UVCYEJZJUBNUOX-MOPGFXCFSA-N 2 2 358.486 1.010 20 30 FDEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000263101181 832393461 /nfs/dbraw/zinc/39/34/61/832393461.db2.gz JYFRHQQYUJVWHZ-KRWDZBQOSA-N 2 2 374.485 1.296 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@@H]1O ZINC001083537090 846949739 /nfs/dbraw/zinc/94/97/39/846949739.db2.gz AUIZVKFAPDFYMA-SQNIBIBYSA-N 2 2 361.511 1.124 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)sc2C)C[C@@H]1O ZINC001083537090 846949740 /nfs/dbraw/zinc/94/97/40/846949740.db2.gz AUIZVKFAPDFYMA-SQNIBIBYSA-N 2 2 361.511 1.124 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)sc2C)C[C@@H]1O ZINC001083537090 846949742 /nfs/dbraw/zinc/94/97/42/846949742.db2.gz AUIZVKFAPDFYMA-SQNIBIBYSA-N 2 2 361.511 1.124 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)sc2C)C[C@@H]1O ZINC001083537090 846949753 /nfs/dbraw/zinc/94/97/53/846949753.db2.gz AUIZVKFAPDFYMA-SQNIBIBYSA-N 2 2 361.511 1.124 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076575319 848453699 /nfs/dbraw/zinc/45/36/99/848453699.db2.gz MAABBXPJGBVGIW-QFBILLFUSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076575319 848453705 /nfs/dbraw/zinc/45/37/05/848453705.db2.gz MAABBXPJGBVGIW-QFBILLFUSA-N 2 2 367.428 1.935 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076986200 849478132 /nfs/dbraw/zinc/47/81/32/849478132.db2.gz OSOBWPNSIGYOKI-GUDVDZBRSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076986200 849478135 /nfs/dbraw/zinc/47/81/35/849478135.db2.gz OSOBWPNSIGYOKI-GUDVDZBRSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076986200 849478137 /nfs/dbraw/zinc/47/81/37/849478137.db2.gz OSOBWPNSIGYOKI-GUDVDZBRSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076986200 849478138 /nfs/dbraw/zinc/47/81/38/849478138.db2.gz OSOBWPNSIGYOKI-GUDVDZBRSA-N 2 2 356.470 1.092 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001077396180 850817350 /nfs/dbraw/zinc/81/73/50/850817350.db2.gz RYSHPHATNHATTE-RTBURBONSA-N 2 2 361.405 1.181 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001077396180 850817357 /nfs/dbraw/zinc/81/73/57/850817357.db2.gz RYSHPHATNHATTE-RTBURBONSA-N 2 2 361.405 1.181 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H]2C)C1=O ZINC001088939281 865582609 /nfs/dbraw/zinc/58/26/09/865582609.db2.gz HPVNXXIWQBKLKO-SQNIBIBYSA-N 2 2 362.518 1.084 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H]2C)C1=O ZINC001088939281 865582612 /nfs/dbraw/zinc/58/26/12/865582612.db2.gz HPVNXXIWQBKLKO-SQNIBIBYSA-N 2 2 362.518 1.084 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000913971248 870179582 /nfs/dbraw/zinc/17/95/82/870179582.db2.gz ALNXHXPOUPRIGS-UHFFFAOYSA-N 2 2 351.454 1.828 20 30 FDEDLP C=CCN1CC[C@@H]([NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000282103212 871106256 /nfs/dbraw/zinc/10/62/56/871106256.db2.gz WFYMCRRBJCFKEY-HXUWFJFHSA-N 2 2 356.514 1.523 20 30 FDEDLP C=CCN1CC[C@@H]([NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000282103212 871106262 /nfs/dbraw/zinc/10/62/62/871106262.db2.gz WFYMCRRBJCFKEY-HXUWFJFHSA-N 2 2 356.514 1.523 20 30 FDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001106621667 876247209 /nfs/dbraw/zinc/24/72/09/876247209.db2.gz XRYSSXSUILYBCG-KYJSFNMBSA-N 2 2 361.490 1.107 20 30 FDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001106621667 876247213 /nfs/dbraw/zinc/24/72/13/876247213.db2.gz XRYSSXSUILYBCG-KYJSFNMBSA-N 2 2 361.490 1.107 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001106704923 876880024 /nfs/dbraw/zinc/88/00/24/876880024.db2.gz JAPOQAHVMFYOOG-NVXWUHKLSA-N 2 2 354.429 1.827 20 30 FDEDLP C=CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC001034665480 884636793 /nfs/dbraw/zinc/63/67/93/884636793.db2.gz KINNUOVUFXMTGQ-HHARLNAUSA-N 2 2 371.485 1.317 20 30 FDEDLP C=CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC001034665480 884636798 /nfs/dbraw/zinc/63/67/98/884636798.db2.gz KINNUOVUFXMTGQ-HHARLNAUSA-N 2 2 371.485 1.317 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001129084169 885706919 /nfs/dbraw/zinc/70/69/19/885706919.db2.gz DKJQYFYSWOLJTE-ZACQAIPSSA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001129084169 885706933 /nfs/dbraw/zinc/70/69/33/885706933.db2.gz DKJQYFYSWOLJTE-ZACQAIPSSA-N 2 2 369.473 1.045 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000923561797 889835225 /nfs/dbraw/zinc/83/52/25/889835225.db2.gz MJYIAHFQBBTQDA-LJQANCHMSA-N 3 2 360.546 1.397 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000923561797 889835238 /nfs/dbraw/zinc/83/52/38/889835238.db2.gz MJYIAHFQBBTQDA-LJQANCHMSA-N 3 2 360.546 1.397 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000763755915 899531849 /nfs/dbraw/zinc/53/18/49/899531849.db2.gz GEDFKOPWQGOVPE-SFHVURJKSA-N 2 2 355.486 1.648 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000763755915 899531855 /nfs/dbraw/zinc/53/18/55/899531855.db2.gz GEDFKOPWQGOVPE-SFHVURJKSA-N 2 2 355.486 1.648 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076484 900536577 /nfs/dbraw/zinc/53/65/77/900536577.db2.gz XPWZYENXGRJPMD-BRWVUGGUSA-N 2 2 361.490 1.038 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079202441 902102925 /nfs/dbraw/zinc/10/29/25/902102925.db2.gz XFDALXZRLKZORF-MDASCCDHSA-N 2 2 354.429 1.945 20 30 FDEDLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21)C1CC1 ZINC001084406171 914624238 /nfs/dbraw/zinc/62/42/38/914624238.db2.gz IFIALCOVARDMDW-OLMNPRSZSA-N 2 2 358.511 1.993 20 30 FDEDLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21)C1CC1 ZINC001084406171 914624245 /nfs/dbraw/zinc/62/42/45/914624245.db2.gz IFIALCOVARDMDW-OLMNPRSZSA-N 2 2 358.511 1.993 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079844013 903491255 /nfs/dbraw/zinc/49/12/55/903491255.db2.gz VLEQHNBRNRWETJ-XYPHTWIQSA-N 2 2 355.910 1.819 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079844013 903491265 /nfs/dbraw/zinc/49/12/65/903491265.db2.gz VLEQHNBRNRWETJ-XYPHTWIQSA-N 2 2 355.910 1.819 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001079844013 903491278 /nfs/dbraw/zinc/49/12/78/903491278.db2.gz VLEQHNBRNRWETJ-XYPHTWIQSA-N 2 2 355.910 1.819 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001079844013 903491290 /nfs/dbraw/zinc/49/12/90/903491290.db2.gz VLEQHNBRNRWETJ-XYPHTWIQSA-N 2 2 355.910 1.819 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001107455037 905015889 /nfs/dbraw/zinc/01/58/89/905015889.db2.gz VJKLYVPFFXILFC-YFVAEKQCSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001107455037 905015909 /nfs/dbraw/zinc/01/59/09/905015909.db2.gz VJKLYVPFFXILFC-YFVAEKQCSA-N 2 2 370.497 1.456 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1OC ZINC001081811312 905135548 /nfs/dbraw/zinc/13/55/48/905135548.db2.gz RQPDJCIYYCDIQJ-FGTMMUONSA-N 2 2 361.511 1.204 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1OC ZINC001081811312 905135558 /nfs/dbraw/zinc/13/55/58/905135558.db2.gz RQPDJCIYYCDIQJ-FGTMMUONSA-N 2 2 361.511 1.204 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cccs2)C[C@H]1OC ZINC001081811312 905135563 /nfs/dbraw/zinc/13/55/63/905135563.db2.gz RQPDJCIYYCDIQJ-FGTMMUONSA-N 2 2 361.511 1.204 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cccs2)C[C@H]1OC ZINC001081811312 905135568 /nfs/dbraw/zinc/13/55/68/905135568.db2.gz RQPDJCIYYCDIQJ-FGTMMUONSA-N 2 2 361.511 1.204 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081895131 905341652 /nfs/dbraw/zinc/34/16/52/905341652.db2.gz UOOSZVHHYSDPQE-RTBURBONSA-N 2 2 368.481 1.502 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081895131 905341670 /nfs/dbraw/zinc/34/16/70/905341670.db2.gz UOOSZVHHYSDPQE-RTBURBONSA-N 2 2 368.481 1.502 20 30 FDEDLP C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC1 ZINC000996788994 905527015 /nfs/dbraw/zinc/52/70/15/905527015.db2.gz IYDBGATUYNUTDX-CSODTCANSA-N 2 2 369.513 1.202 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nccn3CC)C[C@H]2C)CC1 ZINC001080998209 906975662 /nfs/dbraw/zinc/97/56/62/906975662.db2.gz WBAFCDIOBGOCLS-SJLPKXTDSA-N 2 2 357.502 1.185 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nccn3CC)C[C@H]2C)CC1 ZINC001080998209 906975666 /nfs/dbraw/zinc/97/56/66/906975666.db2.gz WBAFCDIOBGOCLS-SJLPKXTDSA-N 2 2 357.502 1.185 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081232039 907431086 /nfs/dbraw/zinc/43/10/86/907431086.db2.gz VZKNKGPREGJBON-HBMCJLEFSA-N 2 2 362.477 1.902 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001082603292 908913872 /nfs/dbraw/zinc/91/38/72/908913872.db2.gz SXERORRXHKSHPH-MRVWCRGKSA-N 2 2 367.291 1.791 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001082776524 910110345 /nfs/dbraw/zinc/11/03/45/910110345.db2.gz GHGCDFXIBMQZKI-GDBMZVCRSA-N 2 2 355.910 1.820 20 30 FDEDLP C=CCC[NH+]1C[C@H]2OCCN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)[C@H]2C1 ZINC001083088975 911964066 /nfs/dbraw/zinc/96/40/66/911964066.db2.gz LIBFHXCOHNSJIT-FGTMMUONSA-N 2 2 359.474 1.278 20 30 FDEDLP C=CCC[NH+]1C[C@H]2OCCN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)[C@H]2C1 ZINC001083088975 911964072 /nfs/dbraw/zinc/96/40/72/911964072.db2.gz LIBFHXCOHNSJIT-FGTMMUONSA-N 2 2 359.474 1.278 20 30 FDEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)[C@H]2C1 ZINC001083088975 911964073 /nfs/dbraw/zinc/96/40/73/911964073.db2.gz LIBFHXCOHNSJIT-FGTMMUONSA-N 2 2 359.474 1.278 20 30 FDEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)[C@H]2C1 ZINC001083088975 911964074 /nfs/dbraw/zinc/96/40/74/911964074.db2.gz LIBFHXCOHNSJIT-FGTMMUONSA-N 2 2 359.474 1.278 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c(F)c1 ZINC001084777984 917055278 /nfs/dbraw/zinc/05/52/78/917055278.db2.gz ZXETVYOIEQGTOL-IEBWSBKVSA-N 2 2 368.456 1.826 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c(F)c1 ZINC001084777984 917055284 /nfs/dbraw/zinc/05/52/84/917055284.db2.gz ZXETVYOIEQGTOL-IEBWSBKVSA-N 2 2 368.456 1.826 20 30 FDEDLP C=C(Br)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084903494 918147505 /nfs/dbraw/zinc/14/75/05/918147505.db2.gz FNKMLOPAGXFGRM-ILXRZTDVSA-N 2 2 356.308 1.912 20 30 FDEDLP C=C(Br)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084903494 918147511 /nfs/dbraw/zinc/14/75/11/918147511.db2.gz FNKMLOPAGXFGRM-ILXRZTDVSA-N 2 2 356.308 1.912 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084903494 918147516 /nfs/dbraw/zinc/14/75/16/918147516.db2.gz FNKMLOPAGXFGRM-ILXRZTDVSA-N 2 2 356.308 1.912 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084903494 918147521 /nfs/dbraw/zinc/14/75/21/918147521.db2.gz FNKMLOPAGXFGRM-ILXRZTDVSA-N 2 2 356.308 1.912 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001085438222 924728275 /nfs/dbraw/zinc/72/82/75/924728275.db2.gz BDVFUYXNOXXTQQ-QZTJIDSGSA-N 2 2 367.453 1.981 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846451 930583781 /nfs/dbraw/zinc/58/37/81/930583781.db2.gz KQLDXYQIKMNQMQ-RANZSIQMSA-N 2 2 373.501 1.384 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846451 930583786 /nfs/dbraw/zinc/58/37/86/930583786.db2.gz KQLDXYQIKMNQMQ-RANZSIQMSA-N 2 2 373.501 1.384 20 30 FDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461271 938436248 /nfs/dbraw/zinc/43/62/48/938436248.db2.gz TXUNFGCWCPBCNU-CEXWTWQISA-N 2 2 368.485 1.499 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461271 938436250 /nfs/dbraw/zinc/43/62/50/938436250.db2.gz TXUNFGCWCPBCNU-CEXWTWQISA-N 2 2 368.485 1.499 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001130034424 938634626 /nfs/dbraw/zinc/63/46/26/938634626.db2.gz OWENCQHXOHDWTI-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130034424 938634627 /nfs/dbraw/zinc/63/46/27/938634627.db2.gz OWENCQHXOHDWTI-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130153245 938716928 /nfs/dbraw/zinc/71/69/28/938716928.db2.gz FQFFFDBBIHEYRQ-CABCVRRESA-N 2 2 363.853 1.049 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001130672289 939971142 /nfs/dbraw/zinc/97/11/42/939971142.db2.gz LJIAKXCZRSQTFC-RLFYNMQTSA-N 2 2 366.469 1.171 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130712754 939999501 /nfs/dbraw/zinc/99/95/01/939999501.db2.gz KGAOQWVIMAJUOX-VDZJLULYSA-N 2 2 370.501 1.635 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739606 940041231 /nfs/dbraw/zinc/04/12/31/940041231.db2.gz GZFKBXIDVIUYTP-FUHWJXTLSA-N 2 2 356.474 1.557 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001131522374 940705474 /nfs/dbraw/zinc/70/54/74/940705474.db2.gz DSXLZGWZSXSMCS-GGPKGHCWSA-N 2 2 370.497 1.455 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001171070763 946854684 /nfs/dbraw/zinc/85/46/84/946854684.db2.gz JVBDJKUNXILZIY-INIZCTEOSA-N 3 2 357.458 1.660 20 30 FDEDLP C=C(Br)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001091078618 949033925 /nfs/dbraw/zinc/03/39/25/949033925.db2.gz DIXCEUHYBIQMIZ-FIYWTHMPSA-N 2 2 353.264 1.906 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001092051673 954141705 /nfs/dbraw/zinc/14/17/05/954141705.db2.gz IIZIEAFIUHXIIC-UZLBHIALSA-N 2 2 367.428 1.943 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001092051673 954141711 /nfs/dbraw/zinc/14/17/11/954141711.db2.gz IIZIEAFIUHXIIC-UZLBHIALSA-N 2 2 367.428 1.943 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nonc4C)C[C@@]3(C)C2)CC1 ZINC001092299758 954747118 /nfs/dbraw/zinc/74/71/18/954747118.db2.gz HAUKLEFZPLTUHF-XLIONFOSSA-N 2 2 371.485 1.004 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nonc4C)C[C@@]3(C)C2)CC1 ZINC001092299758 954747124 /nfs/dbraw/zinc/74/71/24/954747124.db2.gz HAUKLEFZPLTUHF-XLIONFOSSA-N 2 2 371.485 1.004 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001093474622 958248517 /nfs/dbraw/zinc/24/85/17/958248517.db2.gz SWFAMLZMCNFNDU-UOSKARGWSA-N 2 2 358.486 1.287 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197751966 972413562 /nfs/dbraw/zinc/41/35/62/972413562.db2.gz GLJZCYMXZVWLSA-BMGDILEWSA-N 2 2 355.442 1.397 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001110152432 959420823 /nfs/dbraw/zinc/42/08/23/959420823.db2.gz UJJYVSVNUKVZAF-NEWSRXKRSA-N 2 2 370.497 1.386 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001110152432 959420831 /nfs/dbraw/zinc/42/08/31/959420831.db2.gz UJJYVSVNUKVZAF-NEWSRXKRSA-N 2 2 370.497 1.386 20 30 FDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000964486527 1013633509 /nfs/dbraw/zinc/63/35/09/1013633509.db2.gz GPWGLNBPINWSCJ-INFDXNDLSA-N 2 2 363.502 1.069 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645036223 1014048299 /nfs/dbraw/zinc/04/82/99/1014048299.db2.gz RSZMYWSRPURJMC-SZMVWBNQSA-N 2 2 350.507 1.387 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645036223 1014048304 /nfs/dbraw/zinc/04/83/04/1014048304.db2.gz RSZMYWSRPURJMC-SZMVWBNQSA-N 2 2 350.507 1.387 20 30 FDEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000867962228 977146721 /nfs/dbraw/zinc/14/67/21/977146721.db2.gz MTRQACHEWDGRON-ZRGWGRIASA-N 2 2 370.497 1.749 20 30 FDEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000867962228 977146729 /nfs/dbraw/zinc/14/67/29/977146729.db2.gz MTRQACHEWDGRON-ZRGWGRIASA-N 2 2 370.497 1.749 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000884210763 982987293 /nfs/dbraw/zinc/98/72/93/982987293.db2.gz IYKGENVRGHENEV-IBGZPJMESA-N 2 2 373.497 1.804 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000884210763 982987296 /nfs/dbraw/zinc/98/72/96/982987296.db2.gz IYKGENVRGHENEV-IBGZPJMESA-N 2 2 373.497 1.804 20 30 FDEDLP COc1ccccc1C[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884210477 982987438 /nfs/dbraw/zinc/98/74/38/982987438.db2.gz AUQBCUFRRUWWLZ-IDYZSHNDSA-N 2 2 368.481 1.479 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110810004 984028566 /nfs/dbraw/zinc/02/85/66/984028566.db2.gz BIYWFPUXSKCVMG-NZPGVSJUSA-N 2 2 367.453 1.360 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110810004 984028571 /nfs/dbraw/zinc/02/85/71/984028571.db2.gz BIYWFPUXSKCVMG-NZPGVSJUSA-N 2 2 367.453 1.360 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817020 984340536 /nfs/dbraw/zinc/34/05/36/984340536.db2.gz IXYOKZIZJJHOAI-KURKYZTESA-N 2 2 373.501 1.338 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817020 984340547 /nfs/dbraw/zinc/34/05/47/984340547.db2.gz IXYOKZIZJJHOAI-KURKYZTESA-N 2 2 373.501 1.338 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000370689345 989933276 /nfs/dbraw/zinc/93/32/76/989933276.db2.gz JGMZOMYXRTWFPS-UHFFFAOYSA-N 2 2 369.513 1.987 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372369654 991049869 /nfs/dbraw/zinc/04/98/69/991049869.db2.gz NJGQCIHADRNXRT-MJGOQNOKSA-N 2 2 369.513 1.845 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372369654 991049883 /nfs/dbraw/zinc/04/98/83/991049883.db2.gz NJGQCIHADRNXRT-MJGOQNOKSA-N 2 2 369.513 1.845 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876283820 992523222 /nfs/dbraw/zinc/52/32/22/992523222.db2.gz FXSJNLOSKATZLF-IBGZPJMESA-N 2 2 369.513 1.693 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876283820 992523230 /nfs/dbraw/zinc/52/32/30/992523230.db2.gz FXSJNLOSKATZLF-IBGZPJMESA-N 2 2 369.513 1.693 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000876738688 992855666 /nfs/dbraw/zinc/85/56/66/992855666.db2.gz JWGSANFDBOMATC-MRXNPFEDSA-N 2 2 367.877 1.484 20 30 FDEDLP Cc1ccc([C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000264257718 997440701 /nfs/dbraw/zinc/44/07/01/997440701.db2.gz ILDLTDSNHGKEKC-KRWDZBQOSA-N 3 2 363.506 1.352 20 30 FDEDLP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000267457904 999341427 /nfs/dbraw/zinc/34/14/27/999341427.db2.gz UBOMXHOSIBRSNQ-KRWDZBQOSA-N 3 2 361.534 1.742 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H](O)C[NH+]2CCCC2)CC1=O ZINC000269877988 999479686 /nfs/dbraw/zinc/47/96/86/999479686.db2.gz XQLGZDMQGGZBIY-AWEZNQCLSA-N 2 2 369.469 1.103 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000928655787 1001611914 /nfs/dbraw/zinc/61/19/14/1001611914.db2.gz YQOFAIUJUMYQBS-KRWDZBQOSA-N 2 2 372.488 1.550 20 30 FDEDLP COC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1C#N ZINC000534490321 540373090 /nfs/dbraw/zinc/37/30/90/540373090.db2.gz XUSLOQOQENYVDO-UHFFFAOYSA-N 2 2 357.454 1.889 20 30 FDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548414444 542660470 /nfs/dbraw/zinc/66/04/70/542660470.db2.gz AETZZDRSHMDYNR-UHFFFAOYSA-N 2 2 370.497 1.970 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000560431243 545005425 /nfs/dbraw/zinc/00/54/25/545005425.db2.gz GCJLSAZLGQHCMB-SJORKVTESA-N 2 2 350.507 1.579 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375336994 261316210 /nfs/dbraw/zinc/31/62/10/261316210.db2.gz QCTZMMUEUJAADV-UHFFFAOYSA-N 2 2 358.486 1.407 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375336994 261316212 /nfs/dbraw/zinc/31/62/12/261316212.db2.gz QCTZMMUEUJAADV-UHFFFAOYSA-N 2 2 358.486 1.407 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000029857077 519327029 /nfs/dbraw/zinc/32/70/29/519327029.db2.gz LKPDCFPXJQGEQH-INIZCTEOSA-N 2 2 373.476 1.372 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156958693 524182234 /nfs/dbraw/zinc/18/22/34/524182234.db2.gz HHVFXBHUDUTVKB-AEFFLSMTSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156958693 524182243 /nfs/dbraw/zinc/18/22/43/524182243.db2.gz HHVFXBHUDUTVKB-AEFFLSMTSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156958693 524182253 /nfs/dbraw/zinc/18/22/53/524182253.db2.gz HHVFXBHUDUTVKB-AEFFLSMTSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156958693 524182259 /nfs/dbraw/zinc/18/22/59/524182259.db2.gz HHVFXBHUDUTVKB-AEFFLSMTSA-N 2 2 358.486 1.983 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000111661222 524320315 /nfs/dbraw/zinc/32/03/15/524320315.db2.gz SKBBZWZQNGZEFU-UHFFFAOYSA-N 2 2 358.486 1.616 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000111661222 524320324 /nfs/dbraw/zinc/32/03/24/524320324.db2.gz SKBBZWZQNGZEFU-UHFFFAOYSA-N 2 2 358.486 1.616 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000091621994 524743964 /nfs/dbraw/zinc/74/39/64/524743964.db2.gz JIXAPYDFJOFSGI-DLBZAZTESA-N 2 2 358.490 1.281 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000091621994 524743973 /nfs/dbraw/zinc/74/39/73/524743973.db2.gz JIXAPYDFJOFSGI-DLBZAZTESA-N 2 2 358.490 1.281 20 30 FDEDLP C=CCC[C@@H](CC)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127179016 525391762 /nfs/dbraw/zinc/39/17/62/525391762.db2.gz LMMXXWGUFKCXCE-QGZVFWFLSA-N 2 2 366.531 1.868 20 30 FDEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000104155686 525398665 /nfs/dbraw/zinc/39/86/65/525398665.db2.gz HUYAQOCZKFQLLC-INIZCTEOSA-N 3 2 365.547 1.512 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000104866366 525445214 /nfs/dbraw/zinc/44/52/14/525445214.db2.gz OKRMTESPQUZISW-HXUWFJFHSA-N 2 2 355.482 1.352 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000118835117 525557315 /nfs/dbraw/zinc/55/73/15/525557315.db2.gz CSCOUWPOJVKXMO-QFBILLFUSA-N 2 2 355.486 1.597 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000118835117 525557325 /nfs/dbraw/zinc/55/73/25/525557325.db2.gz CSCOUWPOJVKXMO-QFBILLFUSA-N 2 2 355.486 1.597 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119642000 525815348 /nfs/dbraw/zinc/81/53/48/525815348.db2.gz KNWLAZNETMEQCP-NHJHPMQKSA-N 2 2 361.534 1.284 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119642000 525815356 /nfs/dbraw/zinc/81/53/56/525815356.db2.gz KNWLAZNETMEQCP-NHJHPMQKSA-N 2 2 361.534 1.284 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCN(c2ccccc2)C1 ZINC000262802337 536906025 /nfs/dbraw/zinc/90/60/25/536906025.db2.gz RDFCAWNCYBHXJF-OAHLLOKOSA-N 2 2 355.490 1.430 20 30 FDEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCN(C(C)=O)CC1 ZINC000263258036 537003123 /nfs/dbraw/zinc/00/31/23/537003123.db2.gz RMQMGHXCTAVPSF-QGZVFWFLSA-N 2 2 361.490 1.546 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000246746497 537017979 /nfs/dbraw/zinc/01/79/79/537017979.db2.gz XDLADULGNXUPOI-SJORKVTESA-N 2 2 373.526 1.437 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000246746497 537017982 /nfs/dbraw/zinc/01/79/82/537017982.db2.gz XDLADULGNXUPOI-SJORKVTESA-N 2 2 373.526 1.437 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C1 ZINC000363816820 537325647 /nfs/dbraw/zinc/32/56/47/537325647.db2.gz JTMZLGOESAYAKO-OAQYLSRUSA-N 2 2 372.513 1.665 20 30 FDEDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C1 ZINC000363816820 537325652 /nfs/dbraw/zinc/32/56/52/537325652.db2.gz JTMZLGOESAYAKO-OAQYLSRUSA-N 2 2 372.513 1.665 20 30 FDEDLP Cc1cnn([C@H]2CCN(C([O-])=[NH+]C3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)c1 ZINC000329598696 537639691 /nfs/dbraw/zinc/63/96/91/537639691.db2.gz JLPSHFIYKOHXAZ-IBGZPJMESA-N 2 2 374.533 1.911 20 30 FDEDLP Cc1cnn([C@H]2CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)c1 ZINC000329598696 537639695 /nfs/dbraw/zinc/63/96/95/537639695.db2.gz JLPSHFIYKOHXAZ-IBGZPJMESA-N 2 2 374.533 1.911 20 30 FDEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329959139 537647927 /nfs/dbraw/zinc/64/79/27/537647927.db2.gz NBUFRQRHKQICOE-IKGGRYGDSA-N 2 2 362.522 1.743 20 30 FDEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329959139 537647932 /nfs/dbraw/zinc/64/79/32/537647932.db2.gz NBUFRQRHKQICOE-IKGGRYGDSA-N 2 2 362.522 1.743 20 30 FDEDLP C[C@@H](O)CNc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000294316192 537683578 /nfs/dbraw/zinc/68/35/78/537683578.db2.gz ILTPFJLRNFNTNW-OAHLLOKOSA-N 2 2 352.442 1.463 20 30 FDEDLP Cc1nc(C[NH+]2CCC(C(=O)NC3(C#N)CC[NH+](C)CC3)CC2)cs1 ZINC000561566918 545899239 /nfs/dbraw/zinc/89/92/39/545899239.db2.gz SRMQAZJWBOOSOQ-UHFFFAOYSA-N 2 2 361.515 1.768 20 30 FDEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)CC1 ZINC000562068104 546025819 /nfs/dbraw/zinc/02/58/19/546025819.db2.gz CQTWROBEMJNMDN-UHFFFAOYSA-N 2 2 355.467 1.692 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000565954289 547545938 /nfs/dbraw/zinc/54/59/38/547545938.db2.gz LLDKBOZJAXOIND-GQIGUUNPSA-N 2 2 358.486 1.869 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000565954289 547545940 /nfs/dbraw/zinc/54/59/40/547545940.db2.gz LLDKBOZJAXOIND-GQIGUUNPSA-N 2 2 358.486 1.869 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CC3(CC#N)CC3)CC2)CC1 ZINC000570713926 549386167 /nfs/dbraw/zinc/38/61/67/549386167.db2.gz CITUQCCFSIVWRW-UHFFFAOYSA-N 2 2 368.547 1.502 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CC3(CC#N)CC3)CC2)CC1 ZINC000570713926 549386169 /nfs/dbraw/zinc/38/61/69/549386169.db2.gz CITUQCCFSIVWRW-UHFFFAOYSA-N 2 2 368.547 1.502 20 30 FDEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000575327478 550453693 /nfs/dbraw/zinc/45/36/93/550453693.db2.gz XLLNRGVFYGGUPV-LJQANCHMSA-N 2 2 355.486 1.719 20 30 FDEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000575327478 550453697 /nfs/dbraw/zinc/45/36/97/550453697.db2.gz XLLNRGVFYGGUPV-LJQANCHMSA-N 2 2 355.486 1.719 20 30 FDEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000575327478 550453699 /nfs/dbraw/zinc/45/36/99/550453699.db2.gz XLLNRGVFYGGUPV-LJQANCHMSA-N 2 2 355.486 1.719 20 30 FDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCOCC2)c2cc[nH+]cc12 ZINC000576748080 550581622 /nfs/dbraw/zinc/58/16/22/550581622.db2.gz FKDDLYSYWBFXTR-MRXNPFEDSA-N 2 2 369.469 1.690 20 30 FDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCOCC2)c2cc[nH+]cc12 ZINC000576748080 550581624 /nfs/dbraw/zinc/58/16/24/550581624.db2.gz FKDDLYSYWBFXTR-MRXNPFEDSA-N 2 2 369.469 1.690 20 30 FDEDLP CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C[NH+]1CCCC1 ZINC000578316962 550750895 /nfs/dbraw/zinc/75/08/95/550750895.db2.gz VHINIQWICLHBLG-UHFFFAOYSA-N 2 2 350.488 1.439 20 30 FDEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000583638675 551380900 /nfs/dbraw/zinc/38/09/00/551380900.db2.gz FYVZMKIPRGULCP-UHFFFAOYSA-N 2 2 373.482 1.231 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000590193177 551763996 /nfs/dbraw/zinc/76/39/96/551763996.db2.gz ICUJGRFCDSYLTE-UYAOXDASSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000590193177 551763997 /nfs/dbraw/zinc/76/39/97/551763997.db2.gz ICUJGRFCDSYLTE-UYAOXDASSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000590193177 551763998 /nfs/dbraw/zinc/76/39/98/551763998.db2.gz ICUJGRFCDSYLTE-UYAOXDASSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000590193177 551763999 /nfs/dbraw/zinc/76/39/99/551763999.db2.gz ICUJGRFCDSYLTE-UYAOXDASSA-N 2 2 361.534 1.096 20 30 FDEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592146365 551949209 /nfs/dbraw/zinc/94/92/09/551949209.db2.gz CHRSQDMRFUOGBE-FXAWDEMLSA-N 2 2 356.470 1.242 20 30 FDEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592146365 551949210 /nfs/dbraw/zinc/94/92/10/551949210.db2.gz CHRSQDMRFUOGBE-FXAWDEMLSA-N 2 2 356.470 1.242 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000592185181 551955285 /nfs/dbraw/zinc/95/52/85/551955285.db2.gz VKWVHFKXPFRIJH-GOSISDBHSA-N 2 2 354.454 1.460 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000592185181 551955286 /nfs/dbraw/zinc/95/52/86/551955286.db2.gz VKWVHFKXPFRIJH-GOSISDBHSA-N 2 2 354.454 1.460 20 30 FDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000593990267 552235498 /nfs/dbraw/zinc/23/54/98/552235498.db2.gz AADGXDDLWODPEA-PXNSSMCTSA-N 2 2 373.497 1.677 20 30 FDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000593990267 552235499 /nfs/dbraw/zinc/23/54/99/552235499.db2.gz AADGXDDLWODPEA-PXNSSMCTSA-N 2 2 373.497 1.677 20 30 FDEDLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441033 552311271 /nfs/dbraw/zinc/31/12/71/552311271.db2.gz LJVSCILDEGMAJZ-MRXNPFEDSA-N 2 2 357.458 1.424 20 30 FDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000594445279 552311588 /nfs/dbraw/zinc/31/15/88/552311588.db2.gz COOQHTXACRRCRV-QGZVFWFLSA-N 2 2 372.469 1.513 20 30 FDEDLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)cc1F ZINC000594445807 552312383 /nfs/dbraw/zinc/31/23/83/552312383.db2.gz MJQUZMRAYYDWEX-QGZVFWFLSA-N 2 2 362.449 1.890 20 30 FDEDLP N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2=O)cc1 ZINC000594500291 552326769 /nfs/dbraw/zinc/32/67/69/552326769.db2.gz MGXZNVRZDWZNEJ-VQTJNVASSA-N 2 2 368.481 1.502 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000594803130 552391101 /nfs/dbraw/zinc/39/11/01/552391101.db2.gz JPXUKYZDMGPHKW-ZDUSSCGKSA-N 2 2 356.467 1.248 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000594803130 552391103 /nfs/dbraw/zinc/39/11/03/552391103.db2.gz JPXUKYZDMGPHKW-ZDUSSCGKSA-N 2 2 356.467 1.248 20 30 FDEDLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595948519 552637120 /nfs/dbraw/zinc/63/71/20/552637120.db2.gz MCSYLUYYVLIMKK-RTBURBONSA-N 2 2 357.502 1.330 20 30 FDEDLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595948519 552637122 /nfs/dbraw/zinc/63/71/22/552637122.db2.gz MCSYLUYYVLIMKK-RTBURBONSA-N 2 2 357.502 1.330 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000596975373 552730759 /nfs/dbraw/zinc/73/07/59/552730759.db2.gz RZKVBPHAPWLKRT-QZTJIDSGSA-N 2 2 351.454 1.986 20 30 FDEDLP COC(=O)CCNC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599003797 552956831 /nfs/dbraw/zinc/95/68/31/552956831.db2.gz DUBHNUFLGUJMSU-UHFFFAOYSA-N 2 2 372.469 1.182 20 30 FDEDLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000599668606 553117544 /nfs/dbraw/zinc/11/75/44/553117544.db2.gz HSVSTKDOXZWVTF-LJQANCHMSA-N 2 2 373.497 1.875 20 30 FDEDLP N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000600717174 553306320 /nfs/dbraw/zinc/30/63/20/553306320.db2.gz ONMXPZCVKXYZIT-HXUWFJFHSA-N 2 2 373.497 1.680 20 30 FDEDLP N#Cc1c(F)cccc1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000602000729 553500188 /nfs/dbraw/zinc/50/01/88/553500188.db2.gz JYTXPGYZRUAQCP-UHFFFAOYSA-N 2 2 367.428 1.921 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602845916 553649268 /nfs/dbraw/zinc/64/92/68/553649268.db2.gz NBZVVEBKJNVNSI-UHFFFAOYSA-N 2 2 370.478 1.939 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602845916 553649270 /nfs/dbraw/zinc/64/92/70/553649270.db2.gz NBZVVEBKJNVNSI-UHFFFAOYSA-N 2 2 370.478 1.939 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619477575 555783736 /nfs/dbraw/zinc/78/37/36/555783736.db2.gz IYUNYAXGWGZLJM-UHFFFAOYSA-N 2 2 364.515 1.399 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619477575 555783737 /nfs/dbraw/zinc/78/37/37/555783737.db2.gz IYUNYAXGWGZLJM-UHFFFAOYSA-N 2 2 364.515 1.399 20 30 FDEDLP CC[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000330273797 568072028 /nfs/dbraw/zinc/07/20/28/568072028.db2.gz ZSRXUTOCFRDSCP-NVXWUHKLSA-N 2 2 361.490 1.676 20 30 FDEDLP CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261976006 672705144 /nfs/dbraw/zinc/70/51/44/672705144.db2.gz NQYQERDFSCCZCS-YQQAZPJKSA-N 2 2 351.520 1.600 20 30 FDEDLP C[NH+]=C(NC[C@@]1(O)CCSC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262714767 672834078 /nfs/dbraw/zinc/83/40/78/672834078.db2.gz DIHNPNXNBDPDAV-SFHVURJKSA-N 2 2 370.563 1.055 20 30 FDEDLP C[NH+]1CCC(CNC(=O)NC[C@]2(C)CCOC2)([NH+]2CCCCC2)CC1 ZINC000329805991 676657900 /nfs/dbraw/zinc/65/79/00/676657900.db2.gz NOCXRRHWTGFWGF-SFHVURJKSA-N 2 2 352.523 1.867 20 30 FDEDLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC000329895350 676662774 /nfs/dbraw/zinc/66/27/74/676662774.db2.gz BTYXCBAVLKCVOK-IHRRRGAJSA-N 2 2 350.442 1.510 20 30 FDEDLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC000329895350 676662776 /nfs/dbraw/zinc/66/27/76/676662776.db2.gz BTYXCBAVLKCVOK-IHRRRGAJSA-N 2 2 350.442 1.510 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001020603478 770974852 /nfs/dbraw/zinc/97/48/52/770974852.db2.gz BJIXWAIDMVXBAL-QBPKDAKJSA-N 2 2 367.428 1.971 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352483 776651882 /nfs/dbraw/zinc/65/18/82/776651882.db2.gz YXCJWHJIFMHGBN-HZPDHXFCSA-N 2 2 354.454 1.901 20 30 FDEDLP C[NH+]1CCC(CNC(=O)N2CCO[C@@](C)(C#N)C2)([NH+]2CCCCC2)CC1 ZINC000893266643 794523263 /nfs/dbraw/zinc/52/32/63/794523263.db2.gz ICUUSRMXWKFBPD-SFHVURJKSA-N 2 2 363.506 1.261 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC2(C)C)O1 ZINC000974722050 800187728 /nfs/dbraw/zinc/18/77/28/800187728.db2.gz CKOXPVTXXAQZAG-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC2(C)C)O1 ZINC000974722050 800187733 /nfs/dbraw/zinc/18/77/33/800187733.db2.gz CKOXPVTXXAQZAG-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)cc3)CC2(C)C)O1 ZINC000974722050 800187738 /nfs/dbraw/zinc/18/77/38/800187738.db2.gz CKOXPVTXXAQZAG-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC2(C)C)O1 ZINC000974722050 800187740 /nfs/dbraw/zinc/18/77/40/800187740.db2.gz CKOXPVTXXAQZAG-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](Cc3cccc(C#N)c3)CC2(C)C)O1 ZINC000974755654 800245341 /nfs/dbraw/zinc/24/53/41/800245341.db2.gz PJMHJKSONGQOEO-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](Cc3cccc(C#N)c3)CC2(C)C)O1 ZINC000974755654 800245344 /nfs/dbraw/zinc/24/53/44/800245344.db2.gz PJMHJKSONGQOEO-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](Cc3cccc(C#N)c3)CC2(C)C)O1 ZINC000974755654 800245355 /nfs/dbraw/zinc/24/53/55/800245355.db2.gz PJMHJKSONGQOEO-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](Cc3cccc(C#N)c3)CC2(C)C)O1 ZINC000974755654 800245358 /nfs/dbraw/zinc/24/53/58/800245358.db2.gz PJMHJKSONGQOEO-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278899302 807092274 /nfs/dbraw/zinc/09/22/74/807092274.db2.gz PCCDCPMZAPQIFC-CQSZACIVSA-N 2 2 359.474 1.799 20 30 FDEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043597 807683985 /nfs/dbraw/zinc/68/39/85/807683985.db2.gz SGUCZWCJAWSEPE-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043597 807683992 /nfs/dbraw/zinc/68/39/92/807683992.db2.gz SGUCZWCJAWSEPE-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087441292 809452502 /nfs/dbraw/zinc/45/25/02/809452502.db2.gz ABZVNSHSJNAFFR-WOJBJXKFSA-N 2 2 350.466 1.960 20 30 FDEDLP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087441292 809452504 /nfs/dbraw/zinc/45/25/04/809452504.db2.gz ABZVNSHSJNAFFR-WOJBJXKFSA-N 2 2 350.466 1.960 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261931064 811346487 /nfs/dbraw/zinc/34/64/87/811346487.db2.gz BJIIUCFFADJUOR-YJBOKZPZSA-N 3 2 369.517 1.969 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261931064 811346498 /nfs/dbraw/zinc/34/64/98/811346498.db2.gz BJIIUCFFADJUOR-YJBOKZPZSA-N 3 2 369.517 1.969 20 30 FDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261831572 813873766 /nfs/dbraw/zinc/87/37/66/813873766.db2.gz JCRHXHQUWNEREA-UHFFFAOYSA-N 2 2 374.533 1.669 20 30 FDEDLP Cc1cc(N2CCC(NC(=O)[C@H](C)C[NH+]3CCOCC3)CC2)nc(C)[nH+]1 ZINC000328996852 819607578 /nfs/dbraw/zinc/60/75/78/819607578.db2.gz GROADSBWDDCKOO-CQSZACIVSA-N 2 2 361.490 1.987 20 30 FDEDLP N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1O ZINC000442945391 821338739 /nfs/dbraw/zinc/33/87/39/821338739.db2.gz AJXPWGWSWOKUHW-UHFFFAOYSA-N 2 2 365.437 1.601 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccnc2OC)[C@@H]1CC ZINC001087607297 821715757 /nfs/dbraw/zinc/71/57/57/821715757.db2.gz WSIRTKDYFYWRPZ-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2OC)[C@@H]1CC ZINC001087607297 821715762 /nfs/dbraw/zinc/71/57/62/821715762.db2.gz WSIRTKDYFYWRPZ-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccnc2OC)[C@@H]1CC ZINC001087607297 821715770 /nfs/dbraw/zinc/71/57/70/821715770.db2.gz WSIRTKDYFYWRPZ-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccnc2OC)[C@@H]1CC ZINC001087607297 821715775 /nfs/dbraw/zinc/71/57/75/821715775.db2.gz WSIRTKDYFYWRPZ-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccns3)CC[C@@H]2C1 ZINC001087998119 825074643 /nfs/dbraw/zinc/07/46/43/825074643.db2.gz RUQIQSBSXWGEQH-RYRKJORJSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccns3)CC[C@@H]2C1 ZINC001087998119 825074649 /nfs/dbraw/zinc/07/46/49/825074649.db2.gz RUQIQSBSXWGEQH-RYRKJORJSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccns3)CC[C@@H]2C1 ZINC001087998119 825074658 /nfs/dbraw/zinc/07/46/58/825074658.db2.gz RUQIQSBSXWGEQH-RYRKJORJSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccns3)CC[C@@H]2C1 ZINC001087998119 825074662 /nfs/dbraw/zinc/07/46/62/825074662.db2.gz RUQIQSBSXWGEQH-RYRKJORJSA-N 2 2 358.511 1.521 20 30 FDEDLP CN(C)C(=O)CNC(NC1CCN(c2cccc[nH+]2)CC1)=[NH+]C1CCCC1 ZINC000262317997 825137448 /nfs/dbraw/zinc/13/74/48/825137448.db2.gz RCPQPMIEJNROIF-UHFFFAOYSA-N 2 2 372.517 1.616 20 30 FDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330125621 825659422 /nfs/dbraw/zinc/65/94/22/825659422.db2.gz BQOBATLRMOWTTO-SJORKVTESA-N 2 2 361.490 1.601 20 30 FDEDLP C#CCNC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000301847783 827676606 /nfs/dbraw/zinc/67/66/06/827676606.db2.gz NQXTYMJIQMSUHE-DFNIBXOVSA-N 2 2 367.497 1.192 20 30 FDEDLP C#CCNC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000301847783 827676608 /nfs/dbraw/zinc/67/66/08/827676608.db2.gz NQXTYMJIQMSUHE-DFNIBXOVSA-N 2 2 367.497 1.192 20 30 FDEDLP CN(C(=O)c1cnn(C)c1C#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000527252659 829004516 /nfs/dbraw/zinc/00/45/16/829004516.db2.gz XDNSGXFUYFSERL-ROUUACIJSA-N 2 2 372.517 1.701 20 30 FDEDLP CN(C(=O)c1cnn(C)c1C#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000527252659 829004525 /nfs/dbraw/zinc/00/45/25/829004525.db2.gz XDNSGXFUYFSERL-ROUUACIJSA-N 2 2 372.517 1.701 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088631209 838622313 /nfs/dbraw/zinc/62/23/13/838622313.db2.gz YZUQDCDOEAXQPU-UXPWSPDFSA-N 2 2 350.466 1.735 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088631209 838622317 /nfs/dbraw/zinc/62/23/17/838622317.db2.gz YZUQDCDOEAXQPU-UXPWSPDFSA-N 2 2 350.466 1.735 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088631209 838622325 /nfs/dbraw/zinc/62/23/25/838622325.db2.gz YZUQDCDOEAXQPU-UXPWSPDFSA-N 2 2 350.466 1.735 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088631209 838622331 /nfs/dbraw/zinc/62/23/31/838622331.db2.gz YZUQDCDOEAXQPU-UXPWSPDFSA-N 2 2 350.466 1.735 20 30 FDEDLP N#Cc1cnc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000842040195 840821528 /nfs/dbraw/zinc/82/15/28/840821528.db2.gz WGBXTWHXSMNXFY-MRXNPFEDSA-N 2 2 352.398 1.248 20 30 FDEDLP N#Cc1cnc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000842040195 840821535 /nfs/dbraw/zinc/82/15/35/840821535.db2.gz WGBXTWHXSMNXFY-MRXNPFEDSA-N 2 2 352.398 1.248 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105646842 842400282 /nfs/dbraw/zinc/40/02/82/842400282.db2.gz MHOUVHZMUDHUQK-JYBIWHBTSA-N 2 2 360.502 1.815 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105667686 843681876 /nfs/dbraw/zinc/68/18/76/843681876.db2.gz DBWGVBKAJZOPBI-JYBIWHBTSA-N 2 2 360.502 1.803 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)cc1 ZINC001077444062 861576779 /nfs/dbraw/zinc/57/67/79/861576779.db2.gz JAKZUIHSASSTEF-VAMGGRTRSA-N 2 2 368.481 1.094 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076205288 847557372 /nfs/dbraw/zinc/55/73/72/847557372.db2.gz YFJWWOPZDOPPMC-LSDHHAIUSA-N 2 2 356.308 1.770 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076205288 847557380 /nfs/dbraw/zinc/55/73/80/847557380.db2.gz YFJWWOPZDOPPMC-LSDHHAIUSA-N 2 2 356.308 1.770 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(C)o4)C[C@H]32)CC1 ZINC001076604495 848553450 /nfs/dbraw/zinc/55/34/50/848553450.db2.gz IZHCVVVEKJYIHJ-ZWKOTPCHSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(C)o4)C[C@H]32)CC1 ZINC001076604495 848553456 /nfs/dbraw/zinc/55/34/56/848553456.db2.gz IZHCVVVEKJYIHJ-ZWKOTPCHSA-N 2 2 356.470 1.361 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999601 849500438 /nfs/dbraw/zinc/50/04/38/849500438.db2.gz XUDSKRWMSFTKHC-RTBURBONSA-N 2 2 370.497 1.484 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999601 849500445 /nfs/dbraw/zinc/50/04/45/849500445.db2.gz XUDSKRWMSFTKHC-RTBURBONSA-N 2 2 370.497 1.484 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000672766085 871700466 /nfs/dbraw/zinc/70/04/66/871700466.db2.gz XIZJVXPPPVZGJF-UHFFFAOYSA-N 2 2 369.469 1.068 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)O1 ZINC001003137458 872662357 /nfs/dbraw/zinc/66/23/57/872662357.db2.gz JMFHDYCYJKSCDN-DNVCBOLYSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)O1 ZINC001003137458 872662371 /nfs/dbraw/zinc/66/23/71/872662371.db2.gz JMFHDYCYJKSCDN-DNVCBOLYSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001106799132 878014532 /nfs/dbraw/zinc/01/45/32/878014532.db2.gz CNDNOMOKFFHVHA-NVXWUHKLSA-N 2 2 354.429 1.827 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@@H]1n1ccnn1 ZINC001129052362 885578895 /nfs/dbraw/zinc/57/88/95/885578895.db2.gz CMWRTRBQSPAOFR-PEHGNSNYSA-N 2 2 370.501 1.074 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C/CC)C[C@@H]1n1ccnn1 ZINC001129052362 885578905 /nfs/dbraw/zinc/57/89/05/885578905.db2.gz CMWRTRBQSPAOFR-PEHGNSNYSA-N 2 2 370.501 1.074 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/CC)C[C@@H]1n1ccnn1 ZINC001129052362 885578909 /nfs/dbraw/zinc/57/89/09/885578909.db2.gz CMWRTRBQSPAOFR-PEHGNSNYSA-N 2 2 370.501 1.074 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/CC)C[C@@H]1n1ccnn1 ZINC001129052362 885578916 /nfs/dbraw/zinc/57/89/16/885578916.db2.gz CMWRTRBQSPAOFR-PEHGNSNYSA-N 2 2 370.501 1.074 20 30 FDEDLP C[N@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000187056611 887734581 /nfs/dbraw/zinc/73/45/81/887734581.db2.gz DKKXJDWNVVHVGV-HXUWFJFHSA-N 3 2 373.545 1.524 20 30 FDEDLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000187056611 887734590 /nfs/dbraw/zinc/73/45/90/887734590.db2.gz DKKXJDWNVVHVGV-HXUWFJFHSA-N 3 2 373.545 1.524 20 30 FDEDLP C=CCOc1ccc(-c2noc([C@@H](N)C[NH+]3CCC([NH3+])CC3)n2)c(F)c1 ZINC001212315549 890038181 /nfs/dbraw/zinc/03/81/81/890038181.db2.gz YQAHZZLVPXYGDK-INIZCTEOSA-N 2 2 361.421 1.863 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1OC ZINC001081811041 905133325 /nfs/dbraw/zinc/13/33/25/905133325.db2.gz CQBISPRGMVZTGC-CEXWTWQISA-N 2 2 359.514 1.480 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1OC ZINC001081811041 905133332 /nfs/dbraw/zinc/13/33/32/905133332.db2.gz CQBISPRGMVZTGC-CEXWTWQISA-N 2 2 359.514 1.480 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@H]1OC ZINC001081811041 905133339 /nfs/dbraw/zinc/13/33/39/905133339.db2.gz CQBISPRGMVZTGC-CEXWTWQISA-N 2 2 359.514 1.480 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@H]1OC ZINC001081811041 905133346 /nfs/dbraw/zinc/13/33/46/905133346.db2.gz CQBISPRGMVZTGC-CEXWTWQISA-N 2 2 359.514 1.480 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080324962 905155250 /nfs/dbraw/zinc/15/52/50/905155250.db2.gz KZIADEPADJQUHL-AHRSYUTCSA-N 2 2 370.497 1.604 20 30 FDEDLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080324962 905155276 /nfs/dbraw/zinc/15/52/76/905155276.db2.gz KZIADEPADJQUHL-AHRSYUTCSA-N 2 2 370.497 1.604 20 30 FDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080324962 905155287 /nfs/dbraw/zinc/15/52/87/905155287.db2.gz KZIADEPADJQUHL-AHRSYUTCSA-N 2 2 370.497 1.604 20 30 FDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080324962 905155297 /nfs/dbraw/zinc/15/52/97/905155297.db2.gz KZIADEPADJQUHL-AHRSYUTCSA-N 2 2 370.497 1.604 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1C#N ZINC001080946579 906779932 /nfs/dbraw/zinc/77/99/32/906779932.db2.gz GFLJEXQCLAWQLH-RDTXWAMCSA-N 2 2 367.453 1.709 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1C#N ZINC001080946579 906779945 /nfs/dbraw/zinc/77/99/45/906779945.db2.gz GFLJEXQCLAWQLH-RDTXWAMCSA-N 2 2 367.453 1.709 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604721 908927888 /nfs/dbraw/zinc/92/78/88/908927888.db2.gz ZLGKCDNHQJFBFM-OSAQELSMSA-N 2 2 367.291 1.791 20 30 FDEDLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082673316 909512303 /nfs/dbraw/zinc/51/23/03/909512303.db2.gz FHLSHFROWPJGEX-RDTXWAMCSA-N 2 2 355.417 1.921 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001082823104 910329032 /nfs/dbraw/zinc/32/90/32/910329032.db2.gz HPCWJZQTCIJRSK-CZUORRHYSA-N 2 2 353.426 1.469 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(C)nc4)C[C@H]32)CC1 ZINC001084851155 917658941 /nfs/dbraw/zinc/65/89/41/917658941.db2.gz PBUUHFVQXFSFQA-WOJBJXKFSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(C)nc4)C[C@H]32)CC1 ZINC001084851155 917658943 /nfs/dbraw/zinc/65/89/43/917658943.db2.gz PBUUHFVQXFSFQA-WOJBJXKFSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734277946 923157670 /nfs/dbraw/zinc/15/76/70/923157670.db2.gz NHFXPDCUODRECO-SFHVURJKSA-N 2 2 370.497 1.666 20 30 FDEDLP C#CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734277946 923157676 /nfs/dbraw/zinc/15/76/76/923157676.db2.gz NHFXPDCUODRECO-SFHVURJKSA-N 2 2 370.497 1.666 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129917051 938553800 /nfs/dbraw/zinc/55/38/00/938553800.db2.gz JJSDXDOZJWWWTO-BBWFWOEESA-N 2 2 369.473 1.045 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739635 940041093 /nfs/dbraw/zinc/04/10/93/940041093.db2.gz IBBIXEDOSIUCOU-FUHWJXTLSA-N 2 2 354.458 1.004 20 30 FDEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130809075 940185102 /nfs/dbraw/zinc/18/51/02/940185102.db2.gz GCRWSIJDWZZARR-SOUVJXGZSA-N 2 2 364.494 1.147 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001131533458 940704364 /nfs/dbraw/zinc/70/43/64/940704364.db2.gz FQMZDBKSQQCNOO-XLIONFOSSA-N 2 2 358.486 1.362 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001086720692 941619272 /nfs/dbraw/zinc/61/92/72/941619272.db2.gz JHGHPMZGUDSANJ-KSZLIROESA-N 2 2 355.486 1.257 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001086720692 941619276 /nfs/dbraw/zinc/61/92/76/941619276.db2.gz JHGHPMZGUDSANJ-KSZLIROESA-N 2 2 355.486 1.257 20 30 FDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2c1CC[NH+](CC(C)(C)O)C2 ZINC000819468848 943604301 /nfs/dbraw/zinc/60/43/01/943604301.db2.gz WCPXXPNUYZWVJC-KRWDZBQOSA-N 2 2 360.502 1.434 20 30 FDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2c1CC[NH+](CC(C)(C)O)C2 ZINC000819468848 943604303 /nfs/dbraw/zinc/60/43/03/943604303.db2.gz WCPXXPNUYZWVJC-KRWDZBQOSA-N 2 2 360.502 1.434 20 30 FDEDLP C[NH+](CCC#N)C[C@@H](O)CNc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000819468848 943604308 /nfs/dbraw/zinc/60/43/08/943604308.db2.gz WCPXXPNUYZWVJC-KRWDZBQOSA-N 2 2 360.502 1.434 20 30 FDEDLP C[NH+](CCC#N)C[C@@H](O)CNc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000819468848 943604309 /nfs/dbraw/zinc/60/43/09/943604309.db2.gz WCPXXPNUYZWVJC-KRWDZBQOSA-N 2 2 360.502 1.434 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccc(OC)cc1 ZINC001090884227 947637433 /nfs/dbraw/zinc/63/74/33/947637433.db2.gz FIERFETZWYQRLX-PKOBYXMFSA-N 2 2 352.438 1.487 20 30 FDEDLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007442 950326163 /nfs/dbraw/zinc/32/61/63/950326163.db2.gz NIMAZCKCNQYMRO-LJQANCHMSA-N 2 2 366.469 1.265 20 30 FDEDLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007442 950326182 /nfs/dbraw/zinc/32/61/82/950326182.db2.gz NIMAZCKCNQYMRO-LJQANCHMSA-N 2 2 366.469 1.265 20 30 FDEDLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O ZINC001197000823 972032947 /nfs/dbraw/zinc/03/29/47/972032947.db2.gz LQKWSJBKCQFRIL-NHCUHLMSSA-N 2 2 371.525 1.712 20 30 FDEDLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O ZINC001197000823 972032957 /nfs/dbraw/zinc/03/29/57/972032957.db2.gz LQKWSJBKCQFRIL-NHCUHLMSSA-N 2 2 371.525 1.712 20 30 FDEDLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001197000823 972032972 /nfs/dbraw/zinc/03/29/72/972032972.db2.gz LQKWSJBKCQFRIL-NHCUHLMSSA-N 2 2 371.525 1.712 20 30 FDEDLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001197000823 972032981 /nfs/dbraw/zinc/03/29/81/972032981.db2.gz LQKWSJBKCQFRIL-NHCUHLMSSA-N 2 2 371.525 1.712 20 30 FDEDLP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001093575530 958333543 /nfs/dbraw/zinc/33/35/43/958333543.db2.gz AEWKQVXEOURTSS-QZTJIDSGSA-N 2 2 358.486 1.792 20 30 FDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001094253926 960196170 /nfs/dbraw/zinc/19/61/70/960196170.db2.gz LVZJHBLGDUXMBI-SJLPKXTDSA-N 2 2 367.453 1.670 20 30 FDEDLP C#C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCCO1 ZINC000775793538 972513302 /nfs/dbraw/zinc/51/33/02/972513302.db2.gz MCBKIJGRDYBTDD-MOPGFXCFSA-N 2 2 373.522 1.944 20 30 FDEDLP CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+](CCC[NH3+])CC2)C[C@H]1C#N ZINC001172982510 961867169 /nfs/dbraw/zinc/86/71/69/961867169.db2.gz DBIHXCWGHCMJSZ-HOTGVXAUSA-N 2 2 351.495 1.244 20 30 FDEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188285138 966187997 /nfs/dbraw/zinc/18/79/97/966187997.db2.gz HVXAFHZMECTTBC-GBESFXJTSA-N 2 2 358.486 1.653 20 30 FDEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188285138 966187999 /nfs/dbraw/zinc/18/79/99/966187999.db2.gz HVXAFHZMECTTBC-GBESFXJTSA-N 2 2 358.486 1.653 20 30 FDEDLP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866373991 975579382 /nfs/dbraw/zinc/57/93/82/975579382.db2.gz YXUGNRFMXCDLGE-MRXNPFEDSA-N 2 2 358.486 1.711 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000866665976 975887014 /nfs/dbraw/zinc/88/70/14/975887014.db2.gz JRLWOXCHHRKZOB-FHWLQOOXSA-N 2 2 357.454 1.991 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC000868221828 977359495 /nfs/dbraw/zinc/35/94/95/977359495.db2.gz MVJYAYQXCPNSLE-UHFFFAOYSA-N 2 2 363.550 1.448 20 30 FDEDLP C=C(C)C[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000883468535 982172627 /nfs/dbraw/zinc/17/26/27/982172627.db2.gz VKARVOTWSQBTHX-QGZVFWFLSA-N 2 2 352.523 1.563 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000884062036 982793752 /nfs/dbraw/zinc/79/37/52/982793752.db2.gz DQSIIMMXAREWQS-LJQANCHMSA-N 2 2 355.486 1.443 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000884062036 982793755 /nfs/dbraw/zinc/79/37/55/982793755.db2.gz DQSIIMMXAREWQS-LJQANCHMSA-N 2 2 355.486 1.443 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(-n3cc[nH+]c3)c(F)c1)C2 ZINC000884200572 982976035 /nfs/dbraw/zinc/97/60/35/982976035.db2.gz FUBVXQVYYKLNKY-HVEKOLDVSA-N 2 2 353.401 1.767 20 30 FDEDLP C#CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC[NH+](C)CC1 ZINC000886574633 986374251 /nfs/dbraw/zinc/37/42/51/986374251.db2.gz NATQAGJXNIWKQT-UHFFFAOYSA-N 2 2 367.409 1.950 20 30 FDEDLP C#CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000886580997 986383811 /nfs/dbraw/zinc/38/38/11/986383811.db2.gz GANAGEAZKUPIQD-FQEVSTJZSA-N 2 2 355.482 1.443 20 30 FDEDLP C#CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000886580997 986383825 /nfs/dbraw/zinc/38/38/25/986383825.db2.gz GANAGEAZKUPIQD-FQEVSTJZSA-N 2 2 355.482 1.443 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(OCC#N)cc3)C2)CC1 ZINC000363346841 989114977 /nfs/dbraw/zinc/11/49/77/989114977.db2.gz YYFQWQJVAGTEHC-QGZVFWFLSA-N 2 2 371.485 1.557 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(OCC#N)cc3)C2)CC1 ZINC000363346841 989114981 /nfs/dbraw/zinc/11/49/81/989114981.db2.gz YYFQWQJVAGTEHC-QGZVFWFLSA-N 2 2 371.485 1.557 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3cccc(C#N)c3)C2)CC1 ZINC000370295109 989631778 /nfs/dbraw/zinc/63/17/78/989631778.db2.gz UORBAABUGZGPBV-GOSISDBHSA-N 2 2 355.486 1.568 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3cccc(C#N)c3)C2)CC1 ZINC000370295109 989631781 /nfs/dbraw/zinc/63/17/81/989631781.db2.gz UORBAABUGZGPBV-GOSISDBHSA-N 2 2 355.486 1.568 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1 ZINC000371344398 990369580 /nfs/dbraw/zinc/36/95/80/990369580.db2.gz LAFJOZIVRQRPMY-FQEVSTJZSA-N 2 2 361.534 1.285 20 30 FDEDLP C=CCNC(=O)c1ccc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000374256245 992738324 /nfs/dbraw/zinc/73/83/24/992738324.db2.gz NBNDNLAZPHEXSM-INIZCTEOSA-N 2 2 357.502 1.602 20 30 FDEDLP C=CCNC(=O)c1ccc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000374256245 992738329 /nfs/dbraw/zinc/73/83/29/992738329.db2.gz NBNDNLAZPHEXSM-INIZCTEOSA-N 2 2 357.502 1.602 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000876784489 992911912 /nfs/dbraw/zinc/91/19/12/992911912.db2.gz HLVJEQYHWDAAQQ-QGZVFWFLSA-N 2 2 366.893 1.721 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000271652721 999721410 /nfs/dbraw/zinc/72/14/10/999721410.db2.gz MWQRPKSKQVPELG-UHFFFAOYSA-N 2 2 355.442 1.738 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000286480636 999944664 /nfs/dbraw/zinc/94/46/64/999944664.db2.gz JFRWZSBVZSOFJE-UHFFFAOYSA-N 2 2 359.474 1.272 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111284492 1002738069 /nfs/dbraw/zinc/73/80/69/1002738069.db2.gz ZZLBJZIDMGUDPO-MMNPAVHPSA-N 2 2 371.485 1.173 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111284492 1002738075 /nfs/dbraw/zinc/73/80/75/1002738075.db2.gz ZZLBJZIDMGUDPO-MMNPAVHPSA-N 2 2 371.485 1.173 20 30 FDEDLP C=CCCn1cc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)nn1 ZINC000519824559 539501158 /nfs/dbraw/zinc/50/11/58/539501158.db2.gz WNOYXEAHNWMPHZ-UHFFFAOYSA-N 2 2 360.506 1.486 20 30 FDEDLP C=CCCn1cc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)nn1 ZINC000519824559 539501162 /nfs/dbraw/zinc/50/11/62/539501162.db2.gz WNOYXEAHNWMPHZ-UHFFFAOYSA-N 2 2 360.506 1.486 20 30 FDEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1=O ZINC000551803188 543343302 /nfs/dbraw/zinc/34/33/02/543343302.db2.gz LIZJOPHPXJZOJO-MRXNPFEDSA-N 2 2 363.425 1.220 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000083170531 172203161 /nfs/dbraw/zinc/20/31/61/172203161.db2.gz AGVMLVMZTAERLM-IBGZPJMESA-N 2 2 357.454 1.817 20 30 FDEDLP C[C@H]1C[NH+]=C(N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)S1 ZINC000177209205 174114567 /nfs/dbraw/zinc/11/45/67/174114567.db2.gz RSKXPASNTHUYLB-GOEBONIOSA-N 2 2 360.483 1.407 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177374765 174126166 /nfs/dbraw/zinc/12/61/66/174126166.db2.gz QCXTWPHIUGQIAB-INIZCTEOSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177374765 174126168 /nfs/dbraw/zinc/12/61/68/174126168.db2.gz QCXTWPHIUGQIAB-INIZCTEOSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374765 174126170 /nfs/dbraw/zinc/12/61/70/174126170.db2.gz QCXTWPHIUGQIAB-INIZCTEOSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374765 174126171 /nfs/dbraw/zinc/12/61/71/174126171.db2.gz QCXTWPHIUGQIAB-INIZCTEOSA-N 2 2 357.502 1.843 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000556203852 544117445 /nfs/dbraw/zinc/11/74/45/544117445.db2.gz CLKHDKGFOFQAHQ-IRXDYDNUSA-N 2 2 373.501 1.129 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000556203850 544117464 /nfs/dbraw/zinc/11/74/64/544117464.db2.gz CLKHDKGFOFQAHQ-DLBZAZTESA-N 2 2 373.501 1.129 20 30 FDEDLP CN(C(=O)NCCc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374195720 261091878 /nfs/dbraw/zinc/09/18/78/261091878.db2.gz XPGCFKFXTCQYJW-FQEVSTJZSA-N 2 2 369.513 1.911 20 30 FDEDLP CN(C(=O)NCCc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374195720 261091879 /nfs/dbraw/zinc/09/18/79/261091879.db2.gz XPGCFKFXTCQYJW-FQEVSTJZSA-N 2 2 369.513 1.911 20 30 FDEDLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccc(C#N)cc1 ZINC000378576994 262048235 /nfs/dbraw/zinc/04/82/35/262048235.db2.gz IOSLHQSOWCXFJT-QFBILLFUSA-N 2 2 356.470 1.532 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1 ZINC000057172147 522020857 /nfs/dbraw/zinc/02/08/57/522020857.db2.gz MCWBTNHXEBYSGO-MRXNPFEDSA-N 2 2 356.470 1.268 20 30 FDEDLP CC[C@@H](c1nnc(S[C@H](C)C#N)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000078249394 523541027 /nfs/dbraw/zinc/54/10/27/523541027.db2.gz CNLNCKOINPWWOB-KGLIPLIRSA-N 2 2 352.508 1.627 20 30 FDEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127166981 525392096 /nfs/dbraw/zinc/39/20/96/525392096.db2.gz DLBWAPMNNFISIC-DLBZAZTESA-N 2 2 366.531 1.724 20 30 FDEDLP C=CCCOCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000127195714 525392760 /nfs/dbraw/zinc/39/27/60/525392760.db2.gz HYYVKTPVILWFQG-UHFFFAOYSA-N 2 2 352.523 1.829 20 30 FDEDLP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000104156960 525397215 /nfs/dbraw/zinc/39/72/15/525397215.db2.gz WFTOOANOZUKZFT-UHFFFAOYSA-N 2 2 372.473 1.973 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000106340794 525697583 /nfs/dbraw/zinc/69/75/83/525697583.db2.gz JKBWAGJTNRCRIB-UHFFFAOYSA-N 2 2 360.506 1.288 20 30 FDEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181042869 525796558 /nfs/dbraw/zinc/79/65/58/525796558.db2.gz QXNNDGRSIDGMJW-IEBWSBKVSA-N 2 2 371.481 1.282 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N1CCN(C(C)=O)CC1 ZINC000263253828 537002620 /nfs/dbraw/zinc/00/26/20/537002620.db2.gz PVBAFKPPDYVCHQ-AWEZNQCLSA-N 2 2 363.531 1.234 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N1CCN(C(C)=O)CC1 ZINC000263253828 537002621 /nfs/dbraw/zinc/00/26/21/537002621.db2.gz PVBAFKPPDYVCHQ-AWEZNQCLSA-N 2 2 363.531 1.234 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274850733 537533085 /nfs/dbraw/zinc/53/30/85/537533085.db2.gz QWCOQUAIVAKXKM-SOLBZPMBSA-N 2 2 358.486 1.887 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274850733 537533091 /nfs/dbraw/zinc/53/30/91/537533091.db2.gz QWCOQUAIVAKXKM-SOLBZPMBSA-N 2 2 358.486 1.887 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000367615950 537966307 /nfs/dbraw/zinc/96/63/07/537966307.db2.gz FAPQAXKVPPQZNM-SFHVURJKSA-N 2 2 358.490 1.281 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000367615950 537966316 /nfs/dbraw/zinc/96/63/16/537966316.db2.gz FAPQAXKVPPQZNM-SFHVURJKSA-N 2 2 358.490 1.281 20 30 FDEDLP N#Cc1ccc2[nH+]cc(CNc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)n2c1 ZINC000433187186 538207698 /nfs/dbraw/zinc/20/76/98/538207698.db2.gz IFFSRNBVMMUXPY-UHFFFAOYSA-N 2 2 360.421 1.661 20 30 FDEDLP N#Cc1ccc2[nH+]cc(CNc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)n2c1 ZINC000433187186 538207701 /nfs/dbraw/zinc/20/77/01/538207701.db2.gz IFFSRNBVMMUXPY-UHFFFAOYSA-N 2 2 360.421 1.661 20 30 FDEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cc1F ZINC000421334248 538396806 /nfs/dbraw/zinc/39/68/06/538396806.db2.gz PRFSUPZLPHZQKB-UHFFFAOYSA-N 2 2 354.433 1.789 20 30 FDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000563003602 546350208 /nfs/dbraw/zinc/35/02/08/546350208.db2.gz VNXGPHXUQYCKLG-UXHICEINSA-N 2 2 360.502 1.073 20 30 FDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000563003602 546350212 /nfs/dbraw/zinc/35/02/12/546350212.db2.gz VNXGPHXUQYCKLG-UXHICEINSA-N 2 2 360.502 1.073 20 30 FDEDLP C[N@H+](CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000568871125 548713678 /nfs/dbraw/zinc/71/36/78/548713678.db2.gz NDWKUKPKEYCIDZ-UHFFFAOYSA-N 2 2 372.494 1.839 20 30 FDEDLP C[N@@H+](CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000568871125 548713682 /nfs/dbraw/zinc/71/36/82/548713682.db2.gz NDWKUKPKEYCIDZ-UHFFFAOYSA-N 2 2 372.494 1.839 20 30 FDEDLP CC(C)C[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000572028546 549827197 /nfs/dbraw/zinc/82/71/97/549827197.db2.gz CCLXQFFVSPBRDQ-UHFFFAOYSA-N 2 2 350.488 1.437 20 30 FDEDLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439918 552311051 /nfs/dbraw/zinc/31/10/51/552311051.db2.gz WHIIAJYXIULPIT-FQEVSTJZSA-N 2 2 371.529 1.852 20 30 FDEDLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594446271 552312360 /nfs/dbraw/zinc/31/23/60/552312360.db2.gz OTNUSUOAMMCIKL-IBGZPJMESA-N 2 2 371.485 1.700 20 30 FDEDLP Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594803445 552391052 /nfs/dbraw/zinc/39/10/52/552391052.db2.gz NJQOLDUUZDVFAD-HNNXBMFYSA-N 2 2 352.504 1.417 20 30 FDEDLP Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594803445 552391053 /nfs/dbraw/zinc/39/10/53/552391053.db2.gz NJQOLDUUZDVFAD-HNNXBMFYSA-N 2 2 352.504 1.417 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598590842 552912217 /nfs/dbraw/zinc/91/22/17/552912217.db2.gz UKLSPZJJVKUYPV-QZTJIDSGSA-N 2 2 352.523 1.014 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000599472339 553067467 /nfs/dbraw/zinc/06/74/67/553067467.db2.gz SHJPXMRSSVLQIX-LJQANCHMSA-N 2 2 359.470 1.289 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000599472338 553067499 /nfs/dbraw/zinc/06/74/99/553067499.db2.gz SHJPXMRSSVLQIX-IBGZPJMESA-N 2 2 359.470 1.289 20 30 FDEDLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4c(CC#N)cccc4C3)cn2)CC1 ZINC000600213111 553231317 /nfs/dbraw/zinc/23/13/17/553231317.db2.gz QHGUXVCLMAGXAY-UHFFFAOYSA-N 2 2 362.481 1.853 20 30 FDEDLP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4c(CC#N)cccc4C3)cn2)CC1 ZINC000600213111 553231319 /nfs/dbraw/zinc/23/13/19/553231319.db2.gz QHGUXVCLMAGXAY-UHFFFAOYSA-N 2 2 362.481 1.853 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1CC#N ZINC000601310180 553373745 /nfs/dbraw/zinc/37/37/45/553373745.db2.gz MTFWMDDTPOIURJ-UHFFFAOYSA-N 2 2 364.515 1.399 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1CC#N ZINC000601310180 553373748 /nfs/dbraw/zinc/37/37/48/553373748.db2.gz MTFWMDDTPOIURJ-UHFFFAOYSA-N 2 2 364.515 1.399 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000602653985 553618727 /nfs/dbraw/zinc/61/87/27/553618727.db2.gz KGHRCULUIWHLIZ-OOKSDGMUSA-N 2 2 362.518 1.759 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000602653985 553618728 /nfs/dbraw/zinc/61/87/28/553618728.db2.gz KGHRCULUIWHLIZ-OOKSDGMUSA-N 2 2 362.518 1.759 20 30 FDEDLP CN(C(=O)COc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365229403 568337438 /nfs/dbraw/zinc/33/74/38/568337438.db2.gz SOVMILUIPYUHMG-GOSISDBHSA-N 2 2 356.470 1.564 20 30 FDEDLP CN(C(=O)COc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365229403 568337439 /nfs/dbraw/zinc/33/74/39/568337439.db2.gz SOVMILUIPYUHMG-GOSISDBHSA-N 2 2 356.470 1.564 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)C3CCCC3)CC2)CC1 ZINC000329542744 676643523 /nfs/dbraw/zinc/64/35/23/676643523.db2.gz DZFAMFWBEOKISE-SFHVURJKSA-N 2 2 352.523 1.600 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001020604126 770978825 /nfs/dbraw/zinc/97/88/25/770978825.db2.gz YPHXDYJACJCANP-QBPKDAKJSA-N 2 2 367.428 1.971 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486188 772938948 /nfs/dbraw/zinc/93/89/48/772938948.db2.gz DFPGQQLEESVKJZ-PXNSSMCTSA-N 2 2 358.486 1.221 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(C)no2)C1 ZINC001104306328 774443640 /nfs/dbraw/zinc/44/36/40/774443640.db2.gz YFGFJMIYMTWRPC-OIISXLGYSA-N 2 2 359.474 1.050 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(C)no2)C1 ZINC001104306328 774443645 /nfs/dbraw/zinc/44/36/45/774443645.db2.gz YFGFJMIYMTWRPC-OIISXLGYSA-N 2 2 359.474 1.050 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1 ZINC001211640430 787525083 /nfs/dbraw/zinc/52/50/83/787525083.db2.gz VLWBXCGQCUYZDM-RBUKOAKNSA-N 2 2 350.466 1.960 20 30 FDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001104902470 794310625 /nfs/dbraw/zinc/31/06/25/794310625.db2.gz UTBVUNNUCCMWKU-IAGOWNOFSA-N 2 2 351.454 1.978 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000162386317 795140794 /nfs/dbraw/zinc/14/07/94/795140794.db2.gz TVLPGGSUSYDCKG-IBGZPJMESA-N 2 2 356.470 1.566 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000162386317 795140802 /nfs/dbraw/zinc/14/08/02/795140802.db2.gz TVLPGGSUSYDCKG-IBGZPJMESA-N 2 2 356.470 1.566 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001027965442 807126734 /nfs/dbraw/zinc/12/67/34/807126734.db2.gz CESIMDMCWLEBHM-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001027965442 807126740 /nfs/dbraw/zinc/12/67/40/807126740.db2.gz CESIMDMCWLEBHM-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)O1 ZINC001027965442 807126743 /nfs/dbraw/zinc/12/67/43/807126743.db2.gz CESIMDMCWLEBHM-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)O1 ZINC001027965442 807126748 /nfs/dbraw/zinc/12/67/48/807126748.db2.gz CESIMDMCWLEBHM-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028042954 807677626 /nfs/dbraw/zinc/67/76/26/807677626.db2.gz CFWFLGUSACVLNP-KSZLIROESA-N 2 2 351.491 1.023 20 30 FDEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028042954 807677628 /nfs/dbraw/zinc/67/76/28/807677628.db2.gz CFWFLGUSACVLNP-KSZLIROESA-N 2 2 351.491 1.023 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211715938 809148901 /nfs/dbraw/zinc/14/89/01/809148901.db2.gz YQHXVLGGPHXASY-VQTJNVASSA-N 2 2 350.466 1.960 20 30 FDEDLP N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000424144685 815317844 /nfs/dbraw/zinc/31/78/44/815317844.db2.gz XUHHSFUNKOMDFE-KRWDZBQOSA-N 2 2 357.458 1.227 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261663515 811293239 /nfs/dbraw/zinc/29/32/39/811293239.db2.gz BALWQFMZRXGCOY-ZBFHGGJFSA-N 2 2 358.494 1.341 20 30 FDEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000420388193 813639356 /nfs/dbraw/zinc/63/93/56/813639356.db2.gz WYXOSAACKBELGM-KRWDZBQOSA-N 2 2 356.474 1.861 20 30 FDEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000420388193 813639361 /nfs/dbraw/zinc/63/93/61/813639361.db2.gz WYXOSAACKBELGM-KRWDZBQOSA-N 2 2 356.474 1.861 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2CC)C1=O ZINC001087810748 822470029 /nfs/dbraw/zinc/47/00/29/822470029.db2.gz KEYJTXMQFZROAA-UAGQMJEPSA-N 2 2 359.474 1.017 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2CC)C1=O ZINC001087810748 822470031 /nfs/dbraw/zinc/47/00/31/822470031.db2.gz KEYJTXMQFZROAA-UAGQMJEPSA-N 2 2 359.474 1.017 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)on3)[C@@H]2CC)CC1 ZINC001087840299 822559745 /nfs/dbraw/zinc/55/97/45/822559745.db2.gz QHSJKUJBIGRDPJ-RBUKOAKNSA-N 2 2 358.486 1.797 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)on3)[C@@H]2CC)CC1 ZINC001087840299 822559747 /nfs/dbraw/zinc/55/97/47/822559747.db2.gz QHSJKUJBIGRDPJ-RBUKOAKNSA-N 2 2 358.486 1.797 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3coc(C)n3)CC[C@@H]2C1 ZINC001087998084 825074297 /nfs/dbraw/zinc/07/42/97/825074297.db2.gz QDDILNLIVJVLIG-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3coc(C)n3)CC[C@@H]2C1 ZINC001087998084 825074301 /nfs/dbraw/zinc/07/43/01/825074301.db2.gz QDDILNLIVJVLIG-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3coc(C)n3)CC[C@@H]2C1 ZINC001087998084 825074308 /nfs/dbraw/zinc/07/43/08/825074308.db2.gz QDDILNLIVJVLIG-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3coc(C)n3)CC[C@@H]2C1 ZINC001087998084 825074315 /nfs/dbraw/zinc/07/43/15/825074315.db2.gz QDDILNLIVJVLIG-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000330239674 825751358 /nfs/dbraw/zinc/75/13/58/825751358.db2.gz BFCSPQIGQZXNAC-KRWDZBQOSA-N 2 2 361.490 1.546 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112178822 827164784 /nfs/dbraw/zinc/16/47/84/827164784.db2.gz FZLVZBYNGLNHDR-HUUCEWRRSA-N 2 2 356.392 1.974 20 30 FDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)C1 ZINC000528418327 829396494 /nfs/dbraw/zinc/39/64/94/829396494.db2.gz UVCYEJZJUBNUOX-RBUKOAKNSA-N 2 2 358.486 1.010 20 30 FDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)C1 ZINC000528418327 829396510 /nfs/dbraw/zinc/39/65/10/829396510.db2.gz UVCYEJZJUBNUOX-RBUKOAKNSA-N 2 2 358.486 1.010 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2oc(CC)nc2C)[C@@H]1C ZINC001088631534 838604999 /nfs/dbraw/zinc/60/49/99/838604999.db2.gz QENKTYARMFJDSI-IKGGRYGDSA-N 2 2 358.486 1.722 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2oc(CC)nc2C)[C@@H]1C ZINC001088631534 838605008 /nfs/dbraw/zinc/60/50/08/838605008.db2.gz QENKTYARMFJDSI-IKGGRYGDSA-N 2 2 358.486 1.722 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2oc(CC)nc2C)[C@@H]1C ZINC001088631534 838605021 /nfs/dbraw/zinc/60/50/21/838605021.db2.gz QENKTYARMFJDSI-IKGGRYGDSA-N 2 2 358.486 1.722 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2oc(CC)nc2C)[C@@H]1C ZINC001088631534 838605028 /nfs/dbraw/zinc/60/50/28/838605028.db2.gz QENKTYARMFJDSI-IKGGRYGDSA-N 2 2 358.486 1.722 20 30 FDEDLP N#Cc1csc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000842039302 840862762 /nfs/dbraw/zinc/86/27/62/840862762.db2.gz NANMWFKJLNVUAO-OAHLLOKOSA-N 2 2 357.439 1.914 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)C1=O ZINC001088710428 842191876 /nfs/dbraw/zinc/19/18/76/842191876.db2.gz NDZOGFCCYYKBSZ-FHLIZLRMSA-N 2 2 367.453 1.314 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)C1=O ZINC001088710428 842191882 /nfs/dbraw/zinc/19/18/82/842191882.db2.gz NDZOGFCCYYKBSZ-FHLIZLRMSA-N 2 2 367.453 1.314 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105657373 842494268 /nfs/dbraw/zinc/49/42/68/842494268.db2.gz YNPMQTNDMUMVRI-HNBVOPMISA-N 2 2 360.502 1.885 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@@H]1O ZINC001083535918 846924014 /nfs/dbraw/zinc/92/40/14/846924014.db2.gz UDFFJJMNCBOVNA-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@@H]1O ZINC001083535918 846924020 /nfs/dbraw/zinc/92/40/20/846924020.db2.gz UDFFJJMNCBOVNA-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2cccc(C)c2)C[C@@H]1O ZINC001083535918 846924025 /nfs/dbraw/zinc/92/40/25/846924025.db2.gz UDFFJJMNCBOVNA-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2cccc(C)c2)C[C@@H]1O ZINC001083535918 846924034 /nfs/dbraw/zinc/92/40/34/846924034.db2.gz UDFFJJMNCBOVNA-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP C=CCCn1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nn1 ZINC000668157560 848945789 /nfs/dbraw/zinc/94/57/89/848945789.db2.gz VMCJXYYBUIVEQC-UHFFFAOYSA-N 2 2 374.533 1.668 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1O ZINC001077158935 849954074 /nfs/dbraw/zinc/95/40/74/849954074.db2.gz FRUUNFFITWVBAU-QHAWAJNXSA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@H]1O ZINC001077158935 849954078 /nfs/dbraw/zinc/95/40/78/849954078.db2.gz FRUUNFFITWVBAU-QHAWAJNXSA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C2CC2)C[C@H]1O ZINC001077158935 849954079 /nfs/dbraw/zinc/95/40/79/849954079.db2.gz FRUUNFFITWVBAU-QHAWAJNXSA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C2CC2)C[C@H]1O ZINC001077158935 849954085 /nfs/dbraw/zinc/95/40/85/849954085.db2.gz FRUUNFFITWVBAU-QHAWAJNXSA-N 2 2 367.493 1.323 20 30 FDEDLP C=CCc1cc(OC)cc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1O ZINC000164375469 862548160 /nfs/dbraw/zinc/54/81/60/862548160.db2.gz YIZQIEJIDRBNEA-UHFFFAOYSA-N 2 2 373.497 1.869 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)[C@@H]2C)CC1 ZINC001089059758 866388999 /nfs/dbraw/zinc/38/89/99/866388999.db2.gz ZRCKYMSCYBNKEW-APWZRJJASA-N 2 2 357.502 1.153 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)[C@@H]2C)CC1 ZINC001089059758 866389009 /nfs/dbraw/zinc/38/90/09/866389009.db2.gz ZRCKYMSCYBNKEW-APWZRJJASA-N 2 2 357.502 1.153 20 30 FDEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083719486 873546069 /nfs/dbraw/zinc/54/60/69/873546069.db2.gz FZURDEMBYHUEBO-NJYVYQBISA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083719486 873546076 /nfs/dbraw/zinc/54/60/76/873546076.db2.gz FZURDEMBYHUEBO-NJYVYQBISA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083719486 873546114 /nfs/dbraw/zinc/54/61/14/873546114.db2.gz FZURDEMBYHUEBO-NJYVYQBISA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083719486 873546127 /nfs/dbraw/zinc/54/61/27/873546127.db2.gz FZURDEMBYHUEBO-NJYVYQBISA-N 2 2 369.509 1.321 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318543 874768773 /nfs/dbraw/zinc/76/87/73/874768773.db2.gz HDLFPLCKLTWETC-IJEWVQPXSA-N 2 2 369.469 1.551 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106343213 874852565 /nfs/dbraw/zinc/85/25/65/874852565.db2.gz UWSJPNYARBQSCZ-HYVNUMGLSA-N 2 2 358.486 1.157 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106343213 874852579 /nfs/dbraw/zinc/85/25/79/874852579.db2.gz UWSJPNYARBQSCZ-HYVNUMGLSA-N 2 2 358.486 1.157 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001106475038 875562087 /nfs/dbraw/zinc/56/20/87/875562087.db2.gz XHJFYSRDELUZMK-GUDVDZBRSA-N 2 2 367.534 1.374 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001106475038 875562092 /nfs/dbraw/zinc/56/20/92/875562092.db2.gz XHJFYSRDELUZMK-GUDVDZBRSA-N 2 2 367.534 1.374 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](n2ccnn2)C1 ZINC001129248950 886823740 /nfs/dbraw/zinc/82/37/40/886823740.db2.gz SLOSCGLJDJGENG-OIISXLGYSA-N 2 2 369.473 1.429 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](n2ccnn2)C1 ZINC001129248950 886823758 /nfs/dbraw/zinc/82/37/58/886823758.db2.gz SLOSCGLJDJGENG-OIISXLGYSA-N 2 2 369.473 1.429 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999770347 913256637 /nfs/dbraw/zinc/25/66/37/913256637.db2.gz LFVIAXZBEDGYTF-KURKYZTESA-N 2 2 351.491 1.023 20 30 FDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000245947620 889351050 /nfs/dbraw/zinc/35/10/50/889351050.db2.gz BQUASDJXLOBPEX-FHWLQOOXSA-N 2 2 363.550 1.341 20 30 FDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000245947620 889351063 /nfs/dbraw/zinc/35/10/63/889351063.db2.gz BQUASDJXLOBPEX-FHWLQOOXSA-N 2 2 363.550 1.341 20 30 FDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000245947620 889351076 /nfs/dbraw/zinc/35/10/76/889351076.db2.gz BQUASDJXLOBPEX-FHWLQOOXSA-N 2 2 363.550 1.341 20 30 FDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000245947620 889351090 /nfs/dbraw/zinc/35/10/90/889351090.db2.gz BQUASDJXLOBPEX-FHWLQOOXSA-N 2 2 363.550 1.341 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccccc3F)C[C@H]21 ZINC001084418004 914381409 /nfs/dbraw/zinc/38/14/09/914381409.db2.gz PVQYOTSYOHBHCQ-HLAWJBBLSA-N 2 2 369.484 1.999 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccccc3F)C[C@H]21 ZINC001084418004 914381426 /nfs/dbraw/zinc/38/14/26/914381426.db2.gz PVQYOTSYOHBHCQ-HLAWJBBLSA-N 2 2 369.484 1.999 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3ccccc3F)C[C@H]21 ZINC001084418004 914381432 /nfs/dbraw/zinc/38/14/32/914381432.db2.gz PVQYOTSYOHBHCQ-HLAWJBBLSA-N 2 2 369.484 1.999 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3ccccc3F)C[C@H]21 ZINC001084418004 914381448 /nfs/dbraw/zinc/38/14/48/914381448.db2.gz PVQYOTSYOHBHCQ-HLAWJBBLSA-N 2 2 369.484 1.999 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C[C@H]21 ZINC001084418184 914384329 /nfs/dbraw/zinc/38/43/29/914384329.db2.gz ZJFFAZSSZOWZJV-QHAWAJNXSA-N 2 2 367.493 1.309 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(CO)cc3)C[C@H]21 ZINC001084418184 914384343 /nfs/dbraw/zinc/38/43/43/914384343.db2.gz ZJFFAZSSZOWZJV-QHAWAJNXSA-N 2 2 367.493 1.309 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(CO)cc3)C[C@H]21 ZINC001084418184 914384362 /nfs/dbraw/zinc/38/43/62/914384362.db2.gz ZJFFAZSSZOWZJV-QHAWAJNXSA-N 2 2 367.493 1.309 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(CO)cc3)C[C@H]21 ZINC001084418184 914384378 /nfs/dbraw/zinc/38/43/78/914384378.db2.gz ZJFFAZSSZOWZJV-QHAWAJNXSA-N 2 2 367.493 1.309 20 30 FDEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001079137879 902014367 /nfs/dbraw/zinc/01/43/67/902014367.db2.gz AHPHFXNDCAKGBR-WOJBJXKFSA-N 2 2 367.493 1.322 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001079137879 902014372 /nfs/dbraw/zinc/01/43/72/902014372.db2.gz AHPHFXNDCAKGBR-WOJBJXKFSA-N 2 2 367.493 1.322 20 30 FDEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079270155 902327428 /nfs/dbraw/zinc/32/74/28/902327428.db2.gz DUGPRXDOIVNMRX-ZWKOTPCHSA-N 2 2 358.486 1.478 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081675938 904923628 /nfs/dbraw/zinc/92/36/28/904923628.db2.gz NFSWJMDBOARGLK-NJDAHSKKSA-N 2 2 367.493 1.195 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081675938 904923635 /nfs/dbraw/zinc/92/36/35/904923635.db2.gz NFSWJMDBOARGLK-NJDAHSKKSA-N 2 2 367.493 1.195 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018506 905574915 /nfs/dbraw/zinc/57/49/15/905574915.db2.gz GEKQTRPWDLVKFP-RTBURBONSA-N 2 2 370.497 1.748 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018506 905574923 /nfs/dbraw/zinc/57/49/23/905574923.db2.gz GEKQTRPWDLVKFP-RTBURBONSA-N 2 2 370.497 1.748 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)C1=O ZINC001107654744 906253716 /nfs/dbraw/zinc/25/37/16/906253716.db2.gz HNSYXPZPNCSMAC-MBOZVWFJSA-N 2 2 371.485 1.031 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)C1=O ZINC001107654744 906253746 /nfs/dbraw/zinc/25/37/46/906253746.db2.gz HNSYXPZPNCSMAC-MBOZVWFJSA-N 2 2 371.485 1.031 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001080947002 906782704 /nfs/dbraw/zinc/78/27/04/906782704.db2.gz VUEXIPPMADPQBH-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001080947002 906782734 /nfs/dbraw/zinc/78/27/34/906782734.db2.gz VUEXIPPMADPQBH-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080979237 906844885 /nfs/dbraw/zinc/84/48/85/906844885.db2.gz HPFDTKPXAIDZST-RLLQIKCJSA-N 2 2 355.482 1.195 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080979237 906844902 /nfs/dbraw/zinc/84/49/02/906844902.db2.gz HPFDTKPXAIDZST-RLLQIKCJSA-N 2 2 355.482 1.195 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080979237 906844910 /nfs/dbraw/zinc/84/49/10/906844910.db2.gz HPFDTKPXAIDZST-RLLQIKCJSA-N 2 2 355.482 1.195 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080979237 906844924 /nfs/dbraw/zinc/84/49/24/906844924.db2.gz HPFDTKPXAIDZST-RLLQIKCJSA-N 2 2 355.482 1.195 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2C)C1 ZINC001080979579 906852047 /nfs/dbraw/zinc/85/20/47/906852047.db2.gz UPQOJSMTSILAMF-KBRIMQKVSA-N 2 2 362.499 1.277 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2C)C1 ZINC001080979579 906852060 /nfs/dbraw/zinc/85/20/60/906852060.db2.gz UPQOJSMTSILAMF-KBRIMQKVSA-N 2 2 362.499 1.277 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)C1 ZINC001080979579 906852079 /nfs/dbraw/zinc/85/20/79/906852079.db2.gz UPQOJSMTSILAMF-KBRIMQKVSA-N 2 2 362.499 1.277 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)C1 ZINC001080979579 906852094 /nfs/dbraw/zinc/85/20/94/906852094.db2.gz UPQOJSMTSILAMF-KBRIMQKVSA-N 2 2 362.499 1.277 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]2C)CC1 ZINC001080998184 906975375 /nfs/dbraw/zinc/97/53/75/906975375.db2.gz VTIRKHYOAMLJID-RHSMWYFYSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]2C)CC1 ZINC001080998184 906975377 /nfs/dbraw/zinc/97/53/77/906975377.db2.gz VTIRKHYOAMLJID-RHSMWYFYSA-N 2 2 360.527 1.733 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001084910956 918244642 /nfs/dbraw/zinc/24/46/42/918244642.db2.gz JPIIVBVAWZFXGP-HSALFYBXSA-N 2 2 368.481 1.312 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001084910956 918244653 /nfs/dbraw/zinc/24/46/53/918244653.db2.gz JPIIVBVAWZFXGP-HSALFYBXSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001084910956 918244666 /nfs/dbraw/zinc/24/46/66/918244666.db2.gz JPIIVBVAWZFXGP-HSALFYBXSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001084910956 918244688 /nfs/dbraw/zinc/24/46/88/918244688.db2.gz JPIIVBVAWZFXGP-HSALFYBXSA-N 2 2 368.481 1.312 20 30 FDEDLP CC(=[NH+]NC(=S)NCCC[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000731928333 918845136 /nfs/dbraw/zinc/84/51/36/918845136.db2.gz IKEIQVPUVDWEJL-UHFFFAOYSA-N 2 2 363.531 1.663 20 30 FDEDLP CON=Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732559824 919794758 /nfs/dbraw/zinc/79/47/58/919794758.db2.gz RRUNNFUKTKQTGB-LJQANCHMSA-N 2 2 358.486 1.907 20 30 FDEDLP CON=Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732559824 919794765 /nfs/dbraw/zinc/79/47/65/919794765.db2.gz RRUNNFUKTKQTGB-LJQANCHMSA-N 2 2 358.486 1.907 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001085075635 920507477 /nfs/dbraw/zinc/50/74/77/920507477.db2.gz ZAMURBLLGAIKRN-QUCCMNQESA-N 2 2 363.465 1.957 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001085075635 920507491 /nfs/dbraw/zinc/50/74/91/920507491.db2.gz ZAMURBLLGAIKRN-QUCCMNQESA-N 2 2 363.465 1.957 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4coc(C)n4)[C@H]3C2)CC1 ZINC001085100589 920913829 /nfs/dbraw/zinc/91/38/29/920913829.db2.gz OZXYUEFAZQLOMH-XLIONFOSSA-N 2 2 370.497 1.751 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4coc(C)n4)[C@H]3C2)CC1 ZINC001085100589 920913833 /nfs/dbraw/zinc/91/38/33/920913833.db2.gz OZXYUEFAZQLOMH-XLIONFOSSA-N 2 2 370.497 1.751 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085159352 921880286 /nfs/dbraw/zinc/88/02/86/921880286.db2.gz QKZKYPGGNZHZHW-MGPQQGTHSA-N 2 2 360.296 1.243 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085159352 921880297 /nfs/dbraw/zinc/88/02/97/921880297.db2.gz QKZKYPGGNZHZHW-MGPQQGTHSA-N 2 2 360.296 1.243 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109719185 930237494 /nfs/dbraw/zinc/23/74/94/930237494.db2.gz XNQMFXYHUCMYNN-RDGPPVDQSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109719185 930237506 /nfs/dbraw/zinc/23/75/06/930237506.db2.gz XNQMFXYHUCMYNN-RDGPPVDQSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109719185 930237509 /nfs/dbraw/zinc/23/75/09/930237509.db2.gz XNQMFXYHUCMYNN-RDGPPVDQSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109719185 930237516 /nfs/dbraw/zinc/23/75/16/930237516.db2.gz XNQMFXYHUCMYNN-RDGPPVDQSA-N 2 2 374.529 1.250 20 30 FDEDLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001109848069 930587756 /nfs/dbraw/zinc/58/77/56/930587756.db2.gz UKYKYSAXMNQMEN-HKBOAZHASA-N 2 2 367.493 1.482 20 30 FDEDLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001109848069 930587759 /nfs/dbraw/zinc/58/77/59/930587759.db2.gz UKYKYSAXMNQMEN-HKBOAZHASA-N 2 2 367.493 1.482 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129482400 938434558 /nfs/dbraw/zinc/43/45/58/938434558.db2.gz WDPSUEAWTBHVJP-MOPGFXCFSA-N 2 2 368.485 1.328 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129482400 938434561 /nfs/dbraw/zinc/43/45/61/938434561.db2.gz WDPSUEAWTBHVJP-MOPGFXCFSA-N 2 2 368.485 1.328 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129482400 938434563 /nfs/dbraw/zinc/43/45/63/938434563.db2.gz WDPSUEAWTBHVJP-MOPGFXCFSA-N 2 2 368.485 1.328 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129482400 938434565 /nfs/dbraw/zinc/43/45/65/938434565.db2.gz WDPSUEAWTBHVJP-MOPGFXCFSA-N 2 2 368.485 1.328 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130614717 939912063 /nfs/dbraw/zinc/91/20/63/939912063.db2.gz CSGBCRQWLJZBHM-QXAKKESOSA-N 2 2 370.501 1.974 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001130622163 939920858 /nfs/dbraw/zinc/92/08/58/939920858.db2.gz UKVJMPMKUGTMDM-HHXXYDBFSA-N 2 2 368.485 1.339 20 30 FDEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)CCC)n[nH]2)O1 ZINC001130816409 940218992 /nfs/dbraw/zinc/21/89/92/940218992.db2.gz VRDPULAGEYMETJ-LSDHHAIUSA-N 2 2 364.494 1.149 20 30 FDEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)CCC)n[nH]2)O1 ZINC001130816409 940219004 /nfs/dbraw/zinc/21/90/04/940219004.db2.gz VRDPULAGEYMETJ-LSDHHAIUSA-N 2 2 364.494 1.149 20 30 FDEDLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@H]([NH3+])CCCC#N)n3)cc2)CC1 ZINC000822926191 945312021 /nfs/dbraw/zinc/31/20/21/945312021.db2.gz ULYNSEZKDZFOQT-MRXNPFEDSA-N 2 2 368.441 1.818 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cncn1C ZINC001131017633 940438196 /nfs/dbraw/zinc/43/81/96/940438196.db2.gz DJBXSYMYTMDHEI-CRAIPNDOSA-N 2 2 362.437 1.518 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001131578194 940755017 /nfs/dbraw/zinc/75/50/17/940755017.db2.gz MEQSKVHJYJJIDZ-LZQZEXGQSA-N 2 2 358.486 1.597 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001131578194 940755021 /nfs/dbraw/zinc/75/50/21/940755021.db2.gz MEQSKVHJYJJIDZ-LZQZEXGQSA-N 2 2 358.486 1.597 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001131578215 940755224 /nfs/dbraw/zinc/75/52/24/940755224.db2.gz MOSRPXJBXYDGDX-IPELMVKDSA-N 2 2 358.486 1.597 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001131578215 940755228 /nfs/dbraw/zinc/75/52/28/940755228.db2.gz MOSRPXJBXYDGDX-IPELMVKDSA-N 2 2 358.486 1.597 20 30 FDEDLP CN(c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1)C1CC[NH+](C)CC1 ZINC000819418650 943580845 /nfs/dbraw/zinc/58/08/45/943580845.db2.gz ZYYNVLOSHBOQLN-FQEVSTJZSA-N 2 2 359.518 1.835 20 30 FDEDLP CN(c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1)C1CC[NH+](C)CC1 ZINC000819418650 943580847 /nfs/dbraw/zinc/58/08/47/943580847.db2.gz ZYYNVLOSHBOQLN-FQEVSTJZSA-N 2 2 359.518 1.835 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001171075140 947028862 /nfs/dbraw/zinc/02/88/62/947028862.db2.gz PKWTYXQVIYLTJW-KRWDZBQOSA-N 2 2 361.490 1.472 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000775688667 971511650 /nfs/dbraw/zinc/51/16/50/971511650.db2.gz IMXVZUKJLROPBV-FPOVZHCZSA-N 2 2 368.525 1.264 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000775688667 971511659 /nfs/dbraw/zinc/51/16/59/971511659.db2.gz IMXVZUKJLROPBV-FPOVZHCZSA-N 2 2 368.525 1.264 20 30 FDEDLP C[NH+]1CCN(C(=O)c2cccc(NC(=[NH2+])c3ccc(C(N)=O)cc3)c2)CC1 ZINC001171258692 951726528 /nfs/dbraw/zinc/72/65/28/951726528.db2.gz KKCLYAOJPCXWBR-UHFFFAOYSA-N 2 2 365.437 1.210 20 30 FDEDLP C#CC[N@H+]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC001147290969 952365454 /nfs/dbraw/zinc/36/54/54/952365454.db2.gz CFBOKURIUXUMRM-UHFFFAOYSA-N 3 2 360.546 1.350 20 30 FDEDLP C#CC[N@@H+]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC001147290969 952365465 /nfs/dbraw/zinc/36/54/65/952365465.db2.gz CFBOKURIUXUMRM-UHFFFAOYSA-N 3 2 360.546 1.350 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2snnc2C)C[C@H]1C ZINC001092689902 956197419 /nfs/dbraw/zinc/19/74/19/956197419.db2.gz QXZXUUVRNNDOLM-BMFZPTHFSA-N 2 2 361.515 1.128 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2snnc2C)C[C@H]1C ZINC001092689902 956197426 /nfs/dbraw/zinc/19/74/26/956197426.db2.gz QXZXUUVRNNDOLM-BMFZPTHFSA-N 2 2 361.515 1.128 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2snnc2C)C[C@H]1C ZINC001092689902 956197431 /nfs/dbraw/zinc/19/74/31/956197431.db2.gz QXZXUUVRNNDOLM-BMFZPTHFSA-N 2 2 361.515 1.128 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2snnc2C)C[C@H]1C ZINC001092689902 956197440 /nfs/dbraw/zinc/19/74/40/956197440.db2.gz QXZXUUVRNNDOLM-BMFZPTHFSA-N 2 2 361.515 1.128 20 30 FDEDLP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC001093406441 958022966 /nfs/dbraw/zinc/02/29/66/958022966.db2.gz BHWFLBAYKORURR-MUZJZNNISA-N 2 2 358.486 1.839 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093449439 958115944 /nfs/dbraw/zinc/11/59/44/958115944.db2.gz GWYKGFJJSWTTIG-XCJLJZCSSA-N 2 2 366.465 1.776 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197752534 972415296 /nfs/dbraw/zinc/41/52/96/972415296.db2.gz PNXXAMXGZRGDCW-RTBURBONSA-N 2 2 369.469 1.789 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197752534 972415305 /nfs/dbraw/zinc/41/53/05/972415305.db2.gz PNXXAMXGZRGDCW-RTBURBONSA-N 2 2 369.469 1.789 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094132353 959856321 /nfs/dbraw/zinc/85/63/21/959856321.db2.gz DBMVOAITUTYSMO-CZUORRHYSA-N 2 2 355.417 1.847 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001094167181 959957554 /nfs/dbraw/zinc/95/75/54/959957554.db2.gz YFAIMXZTGXENOS-CRAIPNDOSA-N 2 2 351.454 1.719 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001193056579 969461110 /nfs/dbraw/zinc/46/11/10/969461110.db2.gz FJYNZXXLDHHXLD-BRSBDYLESA-N 2 2 358.486 1.281 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001193056579 969461115 /nfs/dbraw/zinc/46/11/15/969461115.db2.gz FJYNZXXLDHHXLD-BRSBDYLESA-N 2 2 358.486 1.281 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194251566 970075942 /nfs/dbraw/zinc/07/59/42/970075942.db2.gz PYCLCKIZBANVQB-KFKAGJAMSA-N 2 2 360.502 1.731 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194251566 970075953 /nfs/dbraw/zinc/07/59/53/970075953.db2.gz PYCLCKIZBANVQB-KFKAGJAMSA-N 2 2 360.502 1.731 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194251566 970075962 /nfs/dbraw/zinc/07/59/62/970075962.db2.gz PYCLCKIZBANVQB-KFKAGJAMSA-N 2 2 360.502 1.731 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194251566 970075969 /nfs/dbraw/zinc/07/59/69/970075969.db2.gz PYCLCKIZBANVQB-KFKAGJAMSA-N 2 2 360.502 1.731 20 30 FDEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001198028553 972703988 /nfs/dbraw/zinc/70/39/88/972703988.db2.gz CZAJUBCJSMBPPB-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001198028553 972703996 /nfs/dbraw/zinc/70/39/96/972703996.db2.gz CZAJUBCJSMBPPB-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001198028553 972704007 /nfs/dbraw/zinc/70/40/07/972704007.db2.gz CZAJUBCJSMBPPB-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001198028553 972704015 /nfs/dbraw/zinc/70/40/15/972704015.db2.gz CZAJUBCJSMBPPB-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)cn1 ZINC000863551999 973008621 /nfs/dbraw/zinc/00/86/21/973008621.db2.gz VBJJVMJQULGGLV-SFHVURJKSA-N 2 2 363.421 1.977 20 30 FDEDLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199346841 974173973 /nfs/dbraw/zinc/17/39/73/974173973.db2.gz YGZAEDJFIRSFRG-NHCUHLMSSA-N 2 2 369.509 1.466 20 30 FDEDLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199346841 974173977 /nfs/dbraw/zinc/17/39/77/974173977.db2.gz YGZAEDJFIRSFRG-NHCUHLMSSA-N 2 2 369.509 1.466 20 30 FDEDLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001110578763 975279219 /nfs/dbraw/zinc/27/92/19/975279219.db2.gz WMPYGVSJOIZHFZ-TVFCKZIOSA-N 2 2 358.486 1.768 20 30 FDEDLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001110578763 975279225 /nfs/dbraw/zinc/27/92/25/975279225.db2.gz WMPYGVSJOIZHFZ-TVFCKZIOSA-N 2 2 358.486 1.768 20 30 FDEDLP C=CCCn1cc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000848510771 976869258 /nfs/dbraw/zinc/86/92/58/976869258.db2.gz GLGVZJJGUAXYDX-SFHVURJKSA-N 2 2 370.457 1.754 20 30 FDEDLP C=CCCn1cc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000848510771 976869266 /nfs/dbraw/zinc/86/92/66/976869266.db2.gz GLGVZJJGUAXYDX-SFHVURJKSA-N 2 2 370.457 1.754 20 30 FDEDLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)cc1 ZINC000867997959 977180848 /nfs/dbraw/zinc/18/08/48/977180848.db2.gz MYPKDYWBWBOFLY-RBUKOAKNSA-N 2 2 358.486 1.723 20 30 FDEDLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)cc1 ZINC000867997959 977180854 /nfs/dbraw/zinc/18/08/54/977180854.db2.gz MYPKDYWBWBOFLY-RBUKOAKNSA-N 2 2 358.486 1.723 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000884204924 982980285 /nfs/dbraw/zinc/98/02/85/982980285.db2.gz IFLVKZQAFMJGAY-IRXDYDNUSA-N 2 2 351.491 1.404 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884328776 983089187 /nfs/dbraw/zinc/08/91/87/983089187.db2.gz XFJXSRFPGLEPDC-SZMVWBNQSA-N 2 2 359.470 1.460 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884328776 983089190 /nfs/dbraw/zinc/08/91/90/983089190.db2.gz XFJXSRFPGLEPDC-SZMVWBNQSA-N 2 2 359.470 1.460 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000299316619 988316934 /nfs/dbraw/zinc/31/69/34/988316934.db2.gz LMKVEHIWISFOMY-UHFFFAOYSA-N 2 2 354.498 1.215 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCC[NH+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193241 988940228 /nfs/dbraw/zinc/94/02/28/988940228.db2.gz FURQGWUQHGJCJT-FHWLQOOXSA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCC[NH+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193241 988940230 /nfs/dbraw/zinc/94/02/30/988940230.db2.gz FURQGWUQHGJCJT-FHWLQOOXSA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@H]([NH+](C)[C@H]2CCC[N@@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193241 988940234 /nfs/dbraw/zinc/94/02/34/988940234.db2.gz FURQGWUQHGJCJT-FHWLQOOXSA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@H]([NH+](C)[C@H]2CCC[N@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193241 988940239 /nfs/dbraw/zinc/94/02/39/988940239.db2.gz FURQGWUQHGJCJT-FHWLQOOXSA-N 2 2 374.529 1.347 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000371336625 990366042 /nfs/dbraw/zinc/36/60/42/990366042.db2.gz PXIKWMUASPCOQA-SFHVURJKSA-N 2 2 352.486 1.806 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000371336625 990366051 /nfs/dbraw/zinc/36/60/51/990366051.db2.gz PXIKWMUASPCOQA-SFHVURJKSA-N 2 2 352.486 1.806 20 30 FDEDLP C#CC[C@H](CCOC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875916704 992187905 /nfs/dbraw/zinc/18/79/05/992187905.db2.gz MEGVTBBRNMBGNQ-AEFFLSMTSA-N 2 2 350.507 1.225 20 30 FDEDLP C#CC[C@H](CCOC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875916704 992187919 /nfs/dbraw/zinc/18/79/19/992187919.db2.gz MEGVTBBRNMBGNQ-AEFFLSMTSA-N 2 2 350.507 1.225 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC000826605327 998151556 /nfs/dbraw/zinc/15/15/56/998151556.db2.gz PMHQHQYWFCFDGL-OAQYLSRUSA-N 2 2 369.509 1.657 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC000826605327 998151570 /nfs/dbraw/zinc/15/15/70/998151570.db2.gz PMHQHQYWFCFDGL-OAQYLSRUSA-N 2 2 369.509 1.657 20 30 FDEDLP C[N@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)Cc1ccc(F)cc1 ZINC000267325784 999312055 /nfs/dbraw/zinc/31/20/55/999312055.db2.gz NYOBLSSPFQSGKK-UHFFFAOYSA-N 2 2 371.464 1.184 20 30 FDEDLP C[N@@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)Cc1ccc(F)cc1 ZINC000267325784 999312059 /nfs/dbraw/zinc/31/20/59/999312059.db2.gz NYOBLSSPFQSGKK-UHFFFAOYSA-N 2 2 371.464 1.184 20 30 FDEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000930071075 1002784672 /nfs/dbraw/zinc/78/46/72/1002784672.db2.gz BCUKSKLCZHYSBG-LJQANCHMSA-N 2 2 368.481 1.411 20 30 FDEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000930071075 1002784682 /nfs/dbraw/zinc/78/46/82/1002784682.db2.gz BCUKSKLCZHYSBG-LJQANCHMSA-N 2 2 368.481 1.411 20 30 FDEDLP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000948929741 1002835508 /nfs/dbraw/zinc/83/55/08/1002835508.db2.gz RYHDFIXTLWXZNQ-NSISKUIASA-N 2 2 355.482 1.444 20 30 FDEDLP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000948929741 1002835525 /nfs/dbraw/zinc/83/55/25/1002835525.db2.gz RYHDFIXTLWXZNQ-NSISKUIASA-N 2 2 355.482 1.444 20 30 FDEDLP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929741 1002835540 /nfs/dbraw/zinc/83/55/40/1002835540.db2.gz RYHDFIXTLWXZNQ-NSISKUIASA-N 2 2 355.482 1.444 20 30 FDEDLP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929741 1002835556 /nfs/dbraw/zinc/83/55/56/1002835556.db2.gz RYHDFIXTLWXZNQ-NSISKUIASA-N 2 2 355.482 1.444 20 30 FDEDLP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC000949194473 1003082319 /nfs/dbraw/zinc/08/23/19/1003082319.db2.gz YJYXWHMAKZRFMG-IAGOWNOFSA-N 2 2 358.486 1.793 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111222062 1006947070 /nfs/dbraw/zinc/94/70/70/1006947070.db2.gz NQDABJGUGCBNHJ-LMMKCTJWSA-N 2 2 367.453 1.805 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111222062 1006947075 /nfs/dbraw/zinc/94/70/75/1006947075.db2.gz NQDABJGUGCBNHJ-LMMKCTJWSA-N 2 2 367.453 1.805 20 30 FDEDLP C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000303865046 1009643410 /nfs/dbraw/zinc/64/34/10/1009643410.db2.gz BNOJLGVVUNKLPQ-QGZVFWFLSA-N 2 2 360.502 1.944 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000088254179 1012927875 /nfs/dbraw/zinc/92/78/75/1012927875.db2.gz YOVAQSCPALJESM-INIZCTEOSA-N 3 2 361.538 1.369 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000535963366 540532452 /nfs/dbraw/zinc/53/24/52/540532452.db2.gz MINMRYUEHAQUSG-OAHLLOKOSA-N 2 2 355.442 1.821 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000535963366 540532454 /nfs/dbraw/zinc/53/24/54/540532454.db2.gz MINMRYUEHAQUSG-OAHLLOKOSA-N 2 2 355.442 1.821 20 30 FDEDLP C=CCNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000541173215 541162693 /nfs/dbraw/zinc/16/26/93/541162693.db2.gz GFPUBIOSUUYZQG-UHFFFAOYSA-N 2 2 369.425 1.876 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000333914294 259393491 /nfs/dbraw/zinc/39/34/91/259393491.db2.gz MJLROFMONPBLDM-HSALFYBXSA-N 2 2 367.497 1.774 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000076485887 523122057 /nfs/dbraw/zinc/12/20/57/523122057.db2.gz LCVCARQQHVXVGS-MRXNPFEDSA-N 2 2 358.486 1.810 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000076485887 523122070 /nfs/dbraw/zinc/12/20/70/523122070.db2.gz LCVCARQQHVXVGS-MRXNPFEDSA-N 2 2 358.486 1.810 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000076980873 523224619 /nfs/dbraw/zinc/22/46/19/523224619.db2.gz WTGQHNWURMGZBZ-HXUWFJFHSA-N 2 2 367.497 1.870 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000076980873 523224632 /nfs/dbraw/zinc/22/46/32/523224632.db2.gz WTGQHNWURMGZBZ-HXUWFJFHSA-N 2 2 367.497 1.870 20 30 FDEDLP CCc1nc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)no1 ZINC000068776679 523855801 /nfs/dbraw/zinc/85/58/01/523855801.db2.gz BYGDLFGABUBTFX-UHFFFAOYSA-N 2 2 359.430 1.426 20 30 FDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000089662305 524518518 /nfs/dbraw/zinc/51/85/18/524518518.db2.gz LXPZQIAYYIYDPL-AWEZNQCLSA-N 2 2 366.469 1.819 20 30 FDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1C#N ZINC000089662305 524518523 /nfs/dbraw/zinc/51/85/23/524518523.db2.gz LXPZQIAYYIYDPL-AWEZNQCLSA-N 2 2 366.469 1.819 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000160084673 524805546 /nfs/dbraw/zinc/80/55/46/524805546.db2.gz NNLRYTVYWFSXGJ-UHFFFAOYSA-N 2 2 357.502 1.949 20 30 FDEDLP CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821273 525003832 /nfs/dbraw/zinc/00/38/32/525003832.db2.gz NFRZKIBFUBKTKK-FQEVSTJZSA-N 2 2 369.513 1.775 20 30 FDEDLP CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821273 525003844 /nfs/dbraw/zinc/00/38/44/525003844.db2.gz NFRZKIBFUBKTKK-FQEVSTJZSA-N 2 2 369.513 1.775 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154019717 525394449 /nfs/dbraw/zinc/39/44/49/525394449.db2.gz PRIRLIIIPYAGMA-RTBURBONSA-N 2 2 350.551 1.901 20 30 FDEDLP C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843772 525560655 /nfs/dbraw/zinc/56/06/55/525560655.db2.gz PBVGNNQIZKQGCL-MRXNPFEDSA-N 2 2 366.469 1.956 20 30 FDEDLP C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843772 525560662 /nfs/dbraw/zinc/56/06/62/525560662.db2.gz PBVGNNQIZKQGCL-MRXNPFEDSA-N 2 2 366.469 1.956 20 30 FDEDLP C[NH+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843772 525560668 /nfs/dbraw/zinc/56/06/68/525560668.db2.gz PBVGNNQIZKQGCL-MRXNPFEDSA-N 2 2 366.469 1.956 20 30 FDEDLP C[NH+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843772 525560672 /nfs/dbraw/zinc/56/06/72/525560672.db2.gz PBVGNNQIZKQGCL-MRXNPFEDSA-N 2 2 366.469 1.956 20 30 FDEDLP N#Cc1cccc(NC(=O)CC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131219354 525837190 /nfs/dbraw/zinc/83/71/90/525837190.db2.gz SHKXHVXHGXJWMG-SFHVURJKSA-N 2 2 369.469 1.301 20 30 FDEDLP N#Cc1cccc(NC(=O)CC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131219354 525837193 /nfs/dbraw/zinc/83/71/93/525837193.db2.gz SHKXHVXHGXJWMG-SFHVURJKSA-N 2 2 369.469 1.301 20 30 FDEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CN1CC[NH+](C)CC1 ZINC000181689391 525891752 /nfs/dbraw/zinc/89/17/52/525891752.db2.gz OBAMGOSQJSJYRW-LJQANCHMSA-N 3 2 369.557 1.996 20 30 FDEDLP COC(=O)CCc1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)no1 ZINC000266996016 536946125 /nfs/dbraw/zinc/94/61/25/536946125.db2.gz DYQRRPUTSXDZHE-UHFFFAOYSA-N 2 2 361.402 1.074 20 30 FDEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273033730 537385142 /nfs/dbraw/zinc/38/51/42/537385142.db2.gz FBRLJANYHNEFMD-KRWDZBQOSA-N 2 2 356.470 1.171 20 30 FDEDLP C=CCN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368924473 537993718 /nfs/dbraw/zinc/99/37/18/537993718.db2.gz LWWPZZXIRPAUSZ-FQEVSTJZSA-N 2 2 372.513 1.791 20 30 FDEDLP C=CCN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368924473 537993722 /nfs/dbraw/zinc/99/37/22/537993722.db2.gz LWWPZZXIRPAUSZ-FQEVSTJZSA-N 2 2 372.513 1.791 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000377833369 538033485 /nfs/dbraw/zinc/03/34/85/538033485.db2.gz YTSXCBNBTRLPRS-LJQANCHMSA-N 2 2 355.486 1.597 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000377833369 538033489 /nfs/dbraw/zinc/03/34/89/538033489.db2.gz YTSXCBNBTRLPRS-LJQANCHMSA-N 2 2 355.486 1.597 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000418721863 538100312 /nfs/dbraw/zinc/10/03/12/538100312.db2.gz MMKYGVSIIPICFZ-OALUTQOASA-N 2 2 355.486 1.903 20 30 FDEDLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424152103 538247747 /nfs/dbraw/zinc/24/77/47/538247747.db2.gz IGMUJTYPQHMHOA-PKOBYXMFSA-N 2 2 358.486 1.757 20 30 FDEDLP Cc1cc(N2CC[NH+](C3CC3)CC2)c(C#N)c(N2CC[NH+](C3CC3)CC2)n1 ZINC000589109790 551710439 /nfs/dbraw/zinc/71/04/39/551710439.db2.gz WZXOBPMCMRTVHE-UHFFFAOYSA-N 2 2 366.513 1.831 20 30 FDEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000594439399 552310254 /nfs/dbraw/zinc/31/02/54/552310254.db2.gz VIPWLXNZMQMZRA-OALUTQOASA-N 2 2 358.486 1.457 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000594803026 552391048 /nfs/dbraw/zinc/39/10/48/552391048.db2.gz IRARGMPUGIDNGK-LBPRGKRZSA-N 2 2 374.457 1.387 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000594803026 552391049 /nfs/dbraw/zinc/39/10/49/552391049.db2.gz IRARGMPUGIDNGK-LBPRGKRZSA-N 2 2 374.457 1.387 20 30 FDEDLP N#Cc1sccc1N1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000595904375 552631252 /nfs/dbraw/zinc/63/12/52/552631252.db2.gz XFQMKBALCUMYCH-WMZOPIPTSA-N 2 2 356.495 1.673 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597026622 552736636 /nfs/dbraw/zinc/73/66/36/552736636.db2.gz PPRQGLJZNTXMIF-LJQANCHMSA-N 2 2 352.482 1.980 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597026622 552736638 /nfs/dbraw/zinc/73/66/38/552736638.db2.gz PPRQGLJZNTXMIF-LJQANCHMSA-N 2 2 352.482 1.980 20 30 FDEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602850157 553650733 /nfs/dbraw/zinc/65/07/33/553650733.db2.gz PEPCFPXWNQLKEG-OKZBNKHCSA-N 2 2 370.501 1.037 20 30 FDEDLP C#CCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000271956758 674399357 /nfs/dbraw/zinc/39/93/57/674399357.db2.gz BZGMSFFGDFKIQZ-UHFFFAOYSA-N 2 2 360.527 1.033 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(c2cccs2)CC1 ZINC000261809684 672675563 /nfs/dbraw/zinc/67/55/63/672675563.db2.gz SILJVVTVAOOZGI-UHFFFAOYSA-N 2 2 361.519 1.445 20 30 FDEDLP C[NH+]=C(NC[C@@H]1CCCS1)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000261939140 672697755 /nfs/dbraw/zinc/69/77/55/672697755.db2.gz DDZPDTFXZRICMD-KRWDZBQOSA-N 3 2 367.607 1.997 20 30 FDEDLP C[NH+]=C(NCC1(CS(C)(=O)=O)CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261948373 672699796 /nfs/dbraw/zinc/69/97/96/672699796.db2.gz GPSLGGAHNJCWAK-LSDHHAIUSA-N 2 2 367.519 1.166 20 30 FDEDLP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262794525 672850316 /nfs/dbraw/zinc/85/03/16/672850316.db2.gz OXEMPFJODLBRQB-SJLPKXTDSA-N 3 2 351.564 1.335 20 30 FDEDLP CC[NH+](CC)[C@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccco1 ZINC000264994978 672927770 /nfs/dbraw/zinc/92/77/70/672927770.db2.gz SCZUOSHLAZHJNI-MRXNPFEDSA-N 2 2 351.495 1.160 20 30 FDEDLP CO[C@@H]1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329279627 676630543 /nfs/dbraw/zinc/63/05/43/676630543.db2.gz JYHSIYRANVYSPP-MAUKXSAKSA-N 2 2 352.523 1.864 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367031490 677480697 /nfs/dbraw/zinc/48/06/97/677480697.db2.gz VUKIZQGULLAMMN-FHWLQOOXSA-N 2 2 350.551 1.757 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367031490 677480698 /nfs/dbraw/zinc/48/06/98/677480698.db2.gz VUKIZQGULLAMMN-FHWLQOOXSA-N 2 2 350.551 1.757 20 30 FDEDLP C(#CC[N@@H+]1CCS[C@H]2COCC[C@@H]21)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000372697451 677961906 /nfs/dbraw/zinc/96/19/06/677961906.db2.gz XVQPTRCLQNBIQP-XLAORIBOSA-N 2 2 368.568 1.402 20 30 FDEDLP C(#CC[N@H+]1CCS[C@H]2COCC[C@@H]21)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000372697451 677961910 /nfs/dbraw/zinc/96/19/10/677961910.db2.gz XVQPTRCLQNBIQP-XLAORIBOSA-N 2 2 368.568 1.402 20 30 FDEDLP C(#CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)C[NH+]1CCS[C@H]2COCC[C@@H]21 ZINC000372697451 677961912 /nfs/dbraw/zinc/96/19/12/677961912.db2.gz XVQPTRCLQNBIQP-XLAORIBOSA-N 2 2 368.568 1.402 20 30 FDEDLP C(#CC[N@H+]1CCS[C@@H]2COCC[C@@H]21)C[NH+]1CCS[C@H]2COCC[C@@H]21 ZINC000372697451 677961914 /nfs/dbraw/zinc/96/19/14/677961914.db2.gz XVQPTRCLQNBIQP-XLAORIBOSA-N 2 2 368.568 1.402 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001022734384 782768411 /nfs/dbraw/zinc/76/84/11/782768411.db2.gz UDZJANXZDSBXTN-NOXHYTERSA-N 2 2 355.467 1.894 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104367514 777952011 /nfs/dbraw/zinc/95/20/11/777952011.db2.gz WSUKLJHJKMYAFP-KZNAEPCWSA-N 2 2 358.486 1.170 20 30 FDEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376798139 790740127 /nfs/dbraw/zinc/74/01/27/790740127.db2.gz DAEDOJJTRHBKBC-GOSISDBHSA-N 2 2 361.534 1.429 20 30 FDEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376798139 790740138 /nfs/dbraw/zinc/74/01/38/790740138.db2.gz DAEDOJJTRHBKBC-GOSISDBHSA-N 2 2 361.534 1.429 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000162386199 795140225 /nfs/dbraw/zinc/14/02/25/795140225.db2.gz TVLPGGSUSYDCKG-LJQANCHMSA-N 2 2 356.470 1.566 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000162386199 795140234 /nfs/dbraw/zinc/14/02/34/795140234.db2.gz TVLPGGSUSYDCKG-LJQANCHMSA-N 2 2 356.470 1.566 20 30 FDEDLP CC[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261661342 809308784 /nfs/dbraw/zinc/30/87/84/809308784.db2.gz AULCFORQOSKOBA-FUHIMQAGSA-N 2 2 366.550 1.952 20 30 FDEDLP CC[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261661342 809308791 /nfs/dbraw/zinc/30/87/91/809308791.db2.gz AULCFORQOSKOBA-FUHIMQAGSA-N 2 2 366.550 1.952 20 30 FDEDLP C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261963420 811355347 /nfs/dbraw/zinc/35/53/47/811355347.db2.gz KVGKBIFXIMLLBK-GJZGRUSLSA-N 2 2 356.478 1.469 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnccc2C)[C@@H]1CC ZINC001087607169 821714468 /nfs/dbraw/zinc/71/44/68/821714468.db2.gz OTZZBDQUHLGNPU-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnccc2C)[C@@H]1CC ZINC001087607169 821714469 /nfs/dbraw/zinc/71/44/69/821714469.db2.gz OTZZBDQUHLGNPU-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cnccc2C)[C@@H]1CC ZINC001087607169 821714471 /nfs/dbraw/zinc/71/44/71/821714471.db2.gz OTZZBDQUHLGNPU-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cnccc2C)[C@@H]1CC ZINC001087607169 821714474 /nfs/dbraw/zinc/71/44/74/821714474.db2.gz OTZZBDQUHLGNPU-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccn3CC)[C@@H]2CC)CC1 ZINC001087840390 822559690 /nfs/dbraw/zinc/55/96/90/822559690.db2.gz VUPUOHBOGMOCQK-RBUKOAKNSA-N 2 2 371.529 1.717 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3CC)[C@@H]2CC)CC1 ZINC001087840390 822559692 /nfs/dbraw/zinc/55/96/92/822559692.db2.gz VUPUOHBOGMOCQK-RBUKOAKNSA-N 2 2 371.529 1.717 20 30 FDEDLP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCc4[nH+]ccn4C3)CC2)c1 ZINC000329898848 825531181 /nfs/dbraw/zinc/53/11/81/825531181.db2.gz MNQNOAKBOFXTHU-MRXNPFEDSA-N 2 2 354.458 1.885 20 30 FDEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528392552 829380241 /nfs/dbraw/zinc/38/02/41/829380241.db2.gz DXLPDKYUHZLXHK-GOSISDBHSA-N 2 2 365.477 1.950 20 30 FDEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528392552 829380247 /nfs/dbraw/zinc/38/02/47/829380247.db2.gz DXLPDKYUHZLXHK-GOSISDBHSA-N 2 2 365.477 1.950 20 30 FDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528392552 829380257 /nfs/dbraw/zinc/38/02/57/829380257.db2.gz DXLPDKYUHZLXHK-GOSISDBHSA-N 2 2 365.477 1.950 20 30 FDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528392552 829380266 /nfs/dbraw/zinc/38/02/66/829380266.db2.gz DXLPDKYUHZLXHK-GOSISDBHSA-N 2 2 365.477 1.950 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000528493427 829433106 /nfs/dbraw/zinc/43/31/06/829433106.db2.gz VFTLMDDNSZBPMG-MOPGFXCFSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000528493427 829433112 /nfs/dbraw/zinc/43/31/12/829433112.db2.gz VFTLMDDNSZBPMG-MOPGFXCFSA-N 2 2 359.470 1.485 20 30 FDEDLP C=CCN1CC[C@@H]([NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1=O ZINC000282041491 833419835 /nfs/dbraw/zinc/41/98/35/833419835.db2.gz QZTHMQFLZSNWTL-LJQANCHMSA-N 2 2 372.513 1.536 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000729591767 829866835 /nfs/dbraw/zinc/86/68/35/829866835.db2.gz AHRXFZOKIHURPK-UHFFFAOYSA-N 2 2 373.505 1.033 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000729591767 829866855 /nfs/dbraw/zinc/86/68/55/829866855.db2.gz AHRXFZOKIHURPK-UHFFFAOYSA-N 2 2 373.505 1.033 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262839074 831638381 /nfs/dbraw/zinc/63/83/81/831638381.db2.gz WXJRRLNAKJUGSM-MRXNPFEDSA-N 3 2 353.474 1.477 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262839074 831638387 /nfs/dbraw/zinc/63/83/87/831638387.db2.gz WXJRRLNAKJUGSM-MRXNPFEDSA-N 3 2 353.474 1.477 20 30 FDEDLP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CCO2 ZINC001105473469 838704731 /nfs/dbraw/zinc/70/47/31/838704731.db2.gz XXMLKRSZTWZBCX-MUZJZNNISA-N 2 2 356.470 1.666 20 30 FDEDLP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CCO2 ZINC001105473469 838704746 /nfs/dbraw/zinc/70/47/46/838704746.db2.gz XXMLKRSZTWZBCX-MUZJZNNISA-N 2 2 356.470 1.666 20 30 FDEDLP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC001105481812 839771856 /nfs/dbraw/zinc/77/18/56/839771856.db2.gz GMFWIZCHGANOMU-BKVYSMKUSA-N 2 2 370.497 1.677 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673556 845402575 /nfs/dbraw/zinc/40/25/75/845402575.db2.gz MYHJCBIHACEGFX-IZBJGVDFSA-N 2 2 358.486 1.263 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@@H]1O ZINC001083535957 846924073 /nfs/dbraw/zinc/92/40/73/846924073.db2.gz WNUUZYJRBBTXGZ-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CC)cc2)C[C@@H]1O ZINC001083535957 846924077 /nfs/dbraw/zinc/92/40/77/846924077.db2.gz WNUUZYJRBBTXGZ-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CC)cc2)C[C@@H]1O ZINC001083535957 846924088 /nfs/dbraw/zinc/92/40/88/846924088.db2.gz WNUUZYJRBBTXGZ-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CC)cc2)C[C@@H]1O ZINC001083535957 846924102 /nfs/dbraw/zinc/92/41/02/846924102.db2.gz WNUUZYJRBBTXGZ-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4nc(C)no4)C[C@H]32)CC1 ZINC001076605910 848558348 /nfs/dbraw/zinc/55/83/48/848558348.db2.gz ZBHOTEBMRJJUJA-JCGIZDLHSA-N 2 2 371.485 1.317 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4nc(C)no4)C[C@H]32)CC1 ZINC001076605910 848558352 /nfs/dbraw/zinc/55/83/52/848558352.db2.gz ZBHOTEBMRJJUJA-JCGIZDLHSA-N 2 2 371.485 1.317 20 30 FDEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083593057 852222336 /nfs/dbraw/zinc/22/23/36/852222336.db2.gz CAKYHVPNDVVBRC-AQNXPRMDSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083593057 852222339 /nfs/dbraw/zinc/22/23/39/852222339.db2.gz CAKYHVPNDVVBRC-AQNXPRMDSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083593057 852222352 /nfs/dbraw/zinc/22/23/52/852222352.db2.gz CAKYHVPNDVVBRC-AQNXPRMDSA-N 2 2 370.497 1.340 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)[C@@H]2C)CC1 ZINC001089060032 866390986 /nfs/dbraw/zinc/39/09/86/866390986.db2.gz OZEYMOIGNMTWPJ-QAPCUYQASA-N 2 2 358.486 1.716 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)[C@@H]2C)CC1 ZINC001089060032 866390989 /nfs/dbraw/zinc/39/09/89/866390989.db2.gz OZEYMOIGNMTWPJ-QAPCUYQASA-N 2 2 358.486 1.716 20 30 FDEDLP COCCO[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463276696 868428435 /nfs/dbraw/zinc/42/84/35/868428435.db2.gz ANINPNIIYUIOGZ-SFTDATJTSA-N 2 2 373.497 1.933 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672781951 871707185 /nfs/dbraw/zinc/70/71/85/871707185.db2.gz UFSQKSZGVJLYMO-AEFFLSMTSA-N 2 2 364.534 1.474 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672781951 871707197 /nfs/dbraw/zinc/70/71/97/871707197.db2.gz UFSQKSZGVJLYMO-AEFFLSMTSA-N 2 2 364.534 1.474 20 30 FDEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001003356609 873193404 /nfs/dbraw/zinc/19/34/04/873193404.db2.gz QKJBEPFWDGXSAC-MOPGFXCFSA-N 2 2 365.518 1.413 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001106763349 877619403 /nfs/dbraw/zinc/61/94/03/877619403.db2.gz CXPBWYQJSLXGLP-QZTJIDSGSA-N 2 2 368.481 1.519 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033875160 883312048 /nfs/dbraw/zinc/31/20/48/883312048.db2.gz PGIPVCPBAFXUIS-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033875160 883312067 /nfs/dbraw/zinc/31/20/67/883312067.db2.gz PGIPVCPBAFXUIS-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033875160 883312089 /nfs/dbraw/zinc/31/20/89/883312089.db2.gz PGIPVCPBAFXUIS-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033875160 883312103 /nfs/dbraw/zinc/31/21/03/883312103.db2.gz PGIPVCPBAFXUIS-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001129080477 885688767 /nfs/dbraw/zinc/68/87/67/885688767.db2.gz PXGPGMPHSYQUPE-NXHRZFHOSA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001129080477 885688777 /nfs/dbraw/zinc/68/87/77/885688777.db2.gz PXGPGMPHSYQUPE-NXHRZFHOSA-N 2 2 369.473 1.045 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1c1ccc(F)cc1 ZINC001079161610 902086782 /nfs/dbraw/zinc/08/67/82/902086782.db2.gz ZKNKUGSSQSPANV-RBUKOAKNSA-N 2 2 354.429 1.709 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248011 902263269 /nfs/dbraw/zinc/26/32/69/902263269.db2.gz BYWVMFPCAWTXBM-YTQUADARSA-N 2 2 370.497 1.571 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079710607 903122010 /nfs/dbraw/zinc/12/20/10/903122010.db2.gz PLGWWFQZJAMYEB-KCPJHIHWSA-N 2 2 356.308 1.673 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079710607 903122015 /nfs/dbraw/zinc/12/20/15/903122015.db2.gz PLGWWFQZJAMYEB-KCPJHIHWSA-N 2 2 356.308 1.673 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001107457393 905023681 /nfs/dbraw/zinc/02/36/81/905023681.db2.gz RTDZJRZCQYNKPE-DBXWQHBBSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001107457393 905023699 /nfs/dbraw/zinc/02/36/99/905023699.db2.gz RTDZJRZCQYNKPE-DBXWQHBBSA-N 2 2 370.497 1.456 20 30 FDEDLP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080447012 905449918 /nfs/dbraw/zinc/44/99/18/905449918.db2.gz UMQTWMKSQIIUNV-SQGPQFPESA-N 2 2 357.473 1.956 20 30 FDEDLP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080447012 905449933 /nfs/dbraw/zinc/44/99/33/905449933.db2.gz UMQTWMKSQIIUNV-SQGPQFPESA-N 2 2 357.473 1.956 20 30 FDEDLP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080447012 905449939 /nfs/dbraw/zinc/44/99/39/905449939.db2.gz UMQTWMKSQIIUNV-SQGPQFPESA-N 2 2 357.473 1.956 20 30 FDEDLP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080447012 905449947 /nfs/dbraw/zinc/44/99/47/905449947.db2.gz UMQTWMKSQIIUNV-SQGPQFPESA-N 2 2 357.473 1.956 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]2C)CC1 ZINC001080997903 906973619 /nfs/dbraw/zinc/97/36/19/906973619.db2.gz OKASRJABUSBORX-YLJYHZDGSA-N 2 2 371.529 1.746 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]2C)CC1 ZINC001080997903 906973621 /nfs/dbraw/zinc/97/36/21/906973621.db2.gz OKASRJABUSBORX-YLJYHZDGSA-N 2 2 371.529 1.746 20 30 FDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000997235299 908072231 /nfs/dbraw/zinc/07/22/31/908072231.db2.gz SOUUDDWVGNRRQG-QRQLOZEOSA-N 2 2 365.518 1.269 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001082893293 910745926 /nfs/dbraw/zinc/74/59/26/910745926.db2.gz ZYMBCTOQWQEGFC-BXUZGUMPSA-N 2 2 355.280 1.698 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccon4)[C@H]3C2)CC1 ZINC001085100638 920916278 /nfs/dbraw/zinc/91/62/78/920916278.db2.gz RVAYCBUYLUINHN-APWZRJJASA-N 2 2 356.470 1.443 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccon4)[C@H]3C2)CC1 ZINC001085100638 920916280 /nfs/dbraw/zinc/91/62/80/920916280.db2.gz RVAYCBUYLUINHN-APWZRJJASA-N 2 2 356.470 1.443 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)oc1C ZINC001085230044 922984491 /nfs/dbraw/zinc/98/44/91/922984491.db2.gz XRYMTYFQQUCWHA-LMMKCTJWSA-N 2 2 358.486 1.906 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)oc1C ZINC001085230044 922984493 /nfs/dbraw/zinc/98/44/93/922984493.db2.gz XRYMTYFQQUCWHA-LMMKCTJWSA-N 2 2 358.486 1.906 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109720141 930243272 /nfs/dbraw/zinc/24/32/72/930243272.db2.gz VMYGAZNRIROCQL-AYBZRNKSSA-N 2 2 372.469 1.255 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109720141 930243278 /nfs/dbraw/zinc/24/32/78/930243278.db2.gz VMYGAZNRIROCQL-AYBZRNKSSA-N 2 2 372.469 1.255 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800764 930486473 /nfs/dbraw/zinc/48/64/73/930486473.db2.gz QHBDJAWOSUQVNH-SQNIBIBYSA-N 2 2 358.486 1.768 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800764 930486481 /nfs/dbraw/zinc/48/64/81/930486481.db2.gz QHBDJAWOSUQVNH-SQNIBIBYSA-N 2 2 358.486 1.768 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970116 930915218 /nfs/dbraw/zinc/91/52/18/930915218.db2.gz OPCMMUNCZBIROV-MNEFBYGVSA-N 2 2 367.453 1.805 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970116 930915221 /nfs/dbraw/zinc/91/52/21/930915221.db2.gz OPCMMUNCZBIROV-MNEFBYGVSA-N 2 2 367.453 1.805 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131108607 940502875 /nfs/dbraw/zinc/50/28/75/940502875.db2.gz XZSIMHGWDYRJGQ-IAGOWNOFSA-N 2 2 356.474 1.247 20 30 FDEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001131313359 940552977 /nfs/dbraw/zinc/55/29/77/940552977.db2.gz PCDBJFUBNUAPIR-ZACQAIPSSA-N 2 2 364.490 1.010 20 30 FDEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001131313359 940552978 /nfs/dbraw/zinc/55/29/78/940552978.db2.gz PCDBJFUBNUAPIR-ZACQAIPSSA-N 2 2 364.490 1.010 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001131516995 940683854 /nfs/dbraw/zinc/68/38/54/940683854.db2.gz FBTSYNOJDSEKEX-MTNOOBJLSA-N 2 2 356.470 1.522 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001131516995 940683856 /nfs/dbraw/zinc/68/38/56/940683856.db2.gz FBTSYNOJDSEKEX-MTNOOBJLSA-N 2 2 356.470 1.522 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000809995848 940935238 /nfs/dbraw/zinc/93/52/38/940935238.db2.gz XZXAJBFWRPTTSM-UHFFFAOYSA-N 2 2 356.470 1.011 20 30 FDEDLP C#CCNC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000819350751 943538168 /nfs/dbraw/zinc/53/81/68/943538168.db2.gz UFANZOKKCBEDOT-UHFFFAOYSA-N 2 2 356.470 1.339 20 30 FDEDLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001195691150 971138737 /nfs/dbraw/zinc/13/87/37/971138737.db2.gz IQJSWUZUGOYKSK-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001195691150 971138741 /nfs/dbraw/zinc/13/87/41/971138741.db2.gz IQJSWUZUGOYKSK-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP C#C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000823186088 945530249 /nfs/dbraw/zinc/53/02/49/945530249.db2.gz IMMZQRSXSGYHJP-SFHVURJKSA-N 2 2 350.507 1.082 20 30 FDEDLP C#C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000823186088 945530257 /nfs/dbraw/zinc/53/02/57/945530257.db2.gz IMMZQRSXSGYHJP-SFHVURJKSA-N 2 2 350.507 1.082 20 30 FDEDLP C#CC[NH+]1CCN(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)CC1 ZINC000844682305 948306549 /nfs/dbraw/zinc/30/65/49/948306549.db2.gz FBKUKYWPDSXRIA-SFTDATJTSA-N 2 2 366.509 1.175 20 30 FDEDLP C#CC[NH+]1CCN(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)CC1 ZINC000844682305 948306559 /nfs/dbraw/zinc/30/65/59/948306559.db2.gz FBKUKYWPDSXRIA-SFTDATJTSA-N 2 2 366.509 1.175 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[NH+](CC)CC ZINC001196115494 971486230 /nfs/dbraw/zinc/48/62/30/971486230.db2.gz PDDBVIQZDNPCNM-VAMGGRTRSA-N 2 2 357.498 1.320 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[NH+](CC)CC ZINC001196115494 971486235 /nfs/dbraw/zinc/48/62/35/971486235.db2.gz PDDBVIQZDNPCNM-VAMGGRTRSA-N 2 2 357.498 1.320 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011064 953102774 /nfs/dbraw/zinc/10/27/74/953102774.db2.gz CQHWJQWIMRFDON-OTWHNJEPSA-N 2 2 368.485 1.188 20 30 FDEDLP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545797 958324760 /nfs/dbraw/zinc/32/47/60/958324760.db2.gz SMFBDDYCDGRISS-VQIMIIECSA-N 2 2 365.518 1.364 20 30 FDEDLP C=C(C)CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545797 958324774 /nfs/dbraw/zinc/32/47/74/958324774.db2.gz SMFBDDYCDGRISS-VQIMIIECSA-N 2 2 365.518 1.364 20 30 FDEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@@H]1CCCO1 ZINC000775788105 972441263 /nfs/dbraw/zinc/44/12/63/972441263.db2.gz CKRFLHATWYQBOR-UXHICEINSA-N 2 2 355.482 1.410 20 30 FDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001181499521 960877230 /nfs/dbraw/zinc/87/72/30/960877230.db2.gz MQJAJMUJBIIUHC-NEYJZJCJSA-N 2 2 354.498 1.861 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386325 964846844 /nfs/dbraw/zinc/84/68/44/964846844.db2.gz MSKSAJQPBACDIF-ZJPYXAASSA-N 2 2 362.518 1.227 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386325 964846848 /nfs/dbraw/zinc/84/68/48/964846848.db2.gz MSKSAJQPBACDIF-ZJPYXAASSA-N 2 2 362.518 1.227 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001110386325 964846851 /nfs/dbraw/zinc/84/68/51/964846851.db2.gz MSKSAJQPBACDIF-ZJPYXAASSA-N 2 2 362.518 1.227 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001110386325 964846857 /nfs/dbraw/zinc/84/68/57/964846857.db2.gz MSKSAJQPBACDIF-ZJPYXAASSA-N 2 2 362.518 1.227 20 30 FDEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312557 966905138 /nfs/dbraw/zinc/90/51/38/966905138.db2.gz VKSJLRNQODQWMO-OKZBNKHCSA-N 2 2 362.518 1.086 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312557 966905141 /nfs/dbraw/zinc/90/51/41/966905141.db2.gz VKSJLRNQODQWMO-OKZBNKHCSA-N 2 2 362.518 1.086 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193109809 969474587 /nfs/dbraw/zinc/47/45/87/969474587.db2.gz BYAHRVQRWJLCRK-QZTJIDSGSA-N 2 2 360.502 1.670 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193109809 969474593 /nfs/dbraw/zinc/47/45/93/969474593.db2.gz BYAHRVQRWJLCRK-QZTJIDSGSA-N 2 2 360.502 1.670 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1O ZINC001193902626 969915965 /nfs/dbraw/zinc/91/59/65/969915965.db2.gz VGZZHOPTZAYQRI-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1O ZINC001193902626 969915967 /nfs/dbraw/zinc/91/59/67/969915967.db2.gz VGZZHOPTZAYQRI-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193902626 969915973 /nfs/dbraw/zinc/91/59/73/969915973.db2.gz VGZZHOPTZAYQRI-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193902626 969915975 /nfs/dbraw/zinc/91/59/75/969915975.db2.gz VGZZHOPTZAYQRI-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001198020150 972694907 /nfs/dbraw/zinc/69/49/07/972694907.db2.gz HICIJOOEGGMTFD-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001198020150 972694912 /nfs/dbraw/zinc/69/49/12/972694912.db2.gz HICIJOOEGGMTFD-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001198020150 972694916 /nfs/dbraw/zinc/69/49/16/972694916.db2.gz HICIJOOEGGMTFD-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001198020150 972694920 /nfs/dbraw/zinc/69/49/20/972694920.db2.gz HICIJOOEGGMTFD-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000794575228 973320951 /nfs/dbraw/zinc/32/09/51/973320951.db2.gz UOORISDECNWEMV-UHFFFAOYSA-N 2 2 357.502 1.901 20 30 FDEDLP C#CC(C)(C)[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000794575228 973320957 /nfs/dbraw/zinc/32/09/57/973320957.db2.gz UOORISDECNWEMV-UHFFFAOYSA-N 2 2 357.502 1.901 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(C#N)c[nH]c4c3)C2)CC1 ZINC000865750544 974460197 /nfs/dbraw/zinc/46/01/97/974460197.db2.gz QNHQBTKNPCXJGI-INIZCTEOSA-N 2 2 351.454 1.938 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(C#N)c[nH]c4c3)C2)CC1 ZINC000865750544 974460202 /nfs/dbraw/zinc/46/02/02/974460202.db2.gz QNHQBTKNPCXJGI-INIZCTEOSA-N 2 2 351.454 1.938 20 30 FDEDLP CC[C@H](C)[NH2+][C@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccco1 ZINC000849051709 977293673 /nfs/dbraw/zinc/29/36/73/977293673.db2.gz UVAVSLGAHJSDJG-JKSUJKDBSA-N 2 2 351.495 1.206 20 30 FDEDLP C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000129401115 980396196 /nfs/dbraw/zinc/39/61/96/980396196.db2.gz IFGRUQXKENZVDA-UHFFFAOYSA-N 2 2 356.430 1.108 20 30 FDEDLP C=CCC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCO1 ZINC000883371345 982099914 /nfs/dbraw/zinc/09/99/14/982099914.db2.gz HDWRWSALVASVRT-UFYCRDLUSA-N 2 2 351.535 1.886 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1C[NH+]1CCOCC1)C2 ZINC000884180238 982953197 /nfs/dbraw/zinc/95/31/97/982953197.db2.gz QTZVXGAMQMUPSA-OBXNSHGQSA-N 2 2 368.481 1.274 20 30 FDEDLP Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364755398 989769596 /nfs/dbraw/zinc/76/95/96/989769596.db2.gz MJAFCJAJFSLIRY-INIZCTEOSA-N 2 2 369.469 1.090 20 30 FDEDLP Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364755398 989769600 /nfs/dbraw/zinc/76/96/00/989769600.db2.gz MJAFCJAJFSLIRY-INIZCTEOSA-N 2 2 369.469 1.090 20 30 FDEDLP CN(C(=O)c1ccccc1OCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370817515 990010642 /nfs/dbraw/zinc/01/06/42/990010642.db2.gz COEVRTQZECPRAE-KRWDZBQOSA-N 2 2 356.470 1.829 20 30 FDEDLP CN(C(=O)c1ccccc1OCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370817515 990010653 /nfs/dbraw/zinc/01/06/53/990010653.db2.gz COEVRTQZECPRAE-KRWDZBQOSA-N 2 2 356.470 1.829 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000876709583 992814807 /nfs/dbraw/zinc/81/48/07/992814807.db2.gz VHLQNZLYVQZDCB-MJGOQNOKSA-N 2 2 354.454 1.068 20 30 FDEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)N1CCN(c2ncccn2)CC1 ZINC000264322412 997459620 /nfs/dbraw/zinc/45/96/20/997459620.db2.gz YAPREOHIXCMPPD-UHFFFAOYSA-N 2 2 354.462 1.201 20 30 FDEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000303771672 1009575072 /nfs/dbraw/zinc/57/50/72/1009575072.db2.gz CVCQIBDYVDISJN-KRWDZBQOSA-N 2 2 363.506 1.702 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303788831 1009584126 /nfs/dbraw/zinc/58/41/26/1009584126.db2.gz UUESGEYBNBDNJE-IBGZPJMESA-N 3 2 359.518 1.407 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303788831 1009584137 /nfs/dbraw/zinc/58/41/37/1009584137.db2.gz UUESGEYBNBDNJE-IBGZPJMESA-N 3 2 359.518 1.407 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111407980 1012193519 /nfs/dbraw/zinc/19/35/19/1012193519.db2.gz COXZZBBNWHKUFW-KURKYZTESA-N 2 2 362.518 1.228 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111407980 1012193531 /nfs/dbraw/zinc/19/35/31/1012193531.db2.gz COXZZBBNWHKUFW-KURKYZTESA-N 2 2 362.518 1.228 20 30 FDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000549936047 542971746 /nfs/dbraw/zinc/97/17/46/542971746.db2.gz JPMBBNKLEYJQGD-IAGOWNOFSA-N 2 2 359.518 1.777 20 30 FDEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000554552165 543823145 /nfs/dbraw/zinc/82/31/45/543823145.db2.gz GFCJGOLAGPWNHX-SFHVURJKSA-N 2 2 369.469 1.881 20 30 FDEDLP N#Cc1cccc(C2([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)CC2)c1 ZINC000370052977 260479404 /nfs/dbraw/zinc/47/94/04/260479404.db2.gz LBVZJLURXJZMDY-UHFFFAOYSA-N 2 2 354.498 1.934 20 30 FDEDLP N#Cc1cccc(C2([NH2+]C3CC[NH+](CCN4CCOCC4)CC3)CC2)c1 ZINC000370052977 260479405 /nfs/dbraw/zinc/47/94/05/260479405.db2.gz LBVZJLURXJZMDY-UHFFFAOYSA-N 2 2 354.498 1.934 20 30 FDEDLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(C#N)CC1 ZINC000057877075 522175139 /nfs/dbraw/zinc/17/51/39/522175139.db2.gz CPWOYVLSWJDTOL-KRWDZBQOSA-N 2 2 370.497 1.759 20 30 FDEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090092755 524582174 /nfs/dbraw/zinc/58/21/74/524582174.db2.gz BVQVMRYVPDHISX-UHFFFAOYSA-N 2 2 357.502 1.985 20 30 FDEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090092755 524582182 /nfs/dbraw/zinc/58/21/82/524582182.db2.gz BVQVMRYVPDHISX-UHFFFAOYSA-N 2 2 357.502 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159100419 524594087 /nfs/dbraw/zinc/59/40/87/524594087.db2.gz KQNIOSPFQIYYCP-RTBURBONSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159100419 524594098 /nfs/dbraw/zinc/59/40/98/524594098.db2.gz KQNIOSPFQIYYCP-RTBURBONSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159100419 524594103 /nfs/dbraw/zinc/59/41/03/524594103.db2.gz KQNIOSPFQIYYCP-RTBURBONSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159100419 524594112 /nfs/dbraw/zinc/59/41/12/524594112.db2.gz KQNIOSPFQIYYCP-RTBURBONSA-N 2 2 370.497 1.985 20 30 FDEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1cc(Br)cn1C ZINC000159470122 524678467 /nfs/dbraw/zinc/67/84/67/524678467.db2.gz BADIRIXFOSMUOR-CQSZACIVSA-N 2 2 372.311 1.125 20 30 FDEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1cc(Br)cn1C ZINC000159470122 524678474 /nfs/dbraw/zinc/67/84/74/524678474.db2.gz BADIRIXFOSMUOR-CQSZACIVSA-N 2 2 372.311 1.125 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174883561 524778158 /nfs/dbraw/zinc/77/81/58/524778158.db2.gz CVSDWIKBUFOWLL-XLIONFOSSA-N 2 2 369.513 1.987 20 30 FDEDLP N#Cc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(N)=O)cc1 ZINC000115595584 525033152 /nfs/dbraw/zinc/03/31/52/525033152.db2.gz KDQNTQLWDAMPNW-FQEVSTJZSA-N 2 2 364.449 1.707 20 30 FDEDLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCC(=O)NCC1CC1 ZINC000154335883 525498040 /nfs/dbraw/zinc/49/80/40/525498040.db2.gz NWSNPZUUGIXCFN-UHFFFAOYSA-N 2 2 373.501 1.009 20 30 FDEDLP NC(CC[NH+]1CCN(Cc2ccccc2)CC1)=[NH+]OCC(=O)NCC1CC1 ZINC000154335883 525498047 /nfs/dbraw/zinc/49/80/47/525498047.db2.gz NWSNPZUUGIXCFN-UHFFFAOYSA-N 2 2 373.501 1.009 20 30 FDEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000130736793 525789701 /nfs/dbraw/zinc/78/97/01/525789701.db2.gz OLAFPACIMKTFKA-GOSISDBHSA-N 2 2 373.501 1.221 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@@H+]2CCCOCC2)CC1=O ZINC000187774783 536274101 /nfs/dbraw/zinc/27/41/01/536274101.db2.gz MPRUYLCEBFWDLZ-UHFFFAOYSA-N 2 2 369.469 1.368 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@H+]2CCCOCC2)CC1=O ZINC000187774783 536274102 /nfs/dbraw/zinc/27/41/02/536274102.db2.gz MPRUYLCEBFWDLZ-UHFFFAOYSA-N 2 2 369.469 1.368 20 30 FDEDLP Cc1c(C#N)cccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000188959691 536977607 /nfs/dbraw/zinc/97/76/07/536977607.db2.gz CZVFEQWKYRPZNO-UHFFFAOYSA-N 2 2 371.485 1.290 20 30 FDEDLP Cc1c(C#N)cccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000188959691 536977610 /nfs/dbraw/zinc/97/76/10/536977610.db2.gz CZVFEQWKYRPZNO-UHFFFAOYSA-N 2 2 371.485 1.290 20 30 FDEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000275346543 537555678 /nfs/dbraw/zinc/55/56/78/537555678.db2.gz YTQVYZKSAVRXKP-LJQANCHMSA-N 2 2 355.486 1.033 20 30 FDEDLP CN(CCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)CC[NH+](C)C ZINC000289541456 537576491 /nfs/dbraw/zinc/57/64/91/537576491.db2.gz WSIBHBHGRNXSNX-UHFFFAOYSA-N 2 2 356.474 1.924 20 30 FDEDLP CN(CCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)CC[NH+](C)C ZINC000289541456 537576498 /nfs/dbraw/zinc/57/64/98/537576498.db2.gz WSIBHBHGRNXSNX-UHFFFAOYSA-N 2 2 356.474 1.924 20 30 FDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000303987230 537597788 /nfs/dbraw/zinc/59/77/88/537597788.db2.gz VFMJZCQOPCZTBO-UHFFFAOYSA-N 2 2 371.445 1.293 20 30 FDEDLP C#CCOc1ccc(C[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000362984564 537601057 /nfs/dbraw/zinc/60/10/57/537601057.db2.gz RWCBQLFJMVRNCR-UHFFFAOYSA-N 2 2 355.482 1.875 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCn3cc(CO)nn3)CC2)cc1 ZINC000290011935 537647330 /nfs/dbraw/zinc/64/73/30/537647330.db2.gz ZWZKPHUQABEQRJ-UHFFFAOYSA-N 2 2 354.458 1.286 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285510727 537723060 /nfs/dbraw/zinc/72/30/60/537723060.db2.gz QWYNYQDAWPJZLO-LJQANCHMSA-N 2 2 371.529 1.497 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285510727 537723061 /nfs/dbraw/zinc/72/30/61/537723061.db2.gz QWYNYQDAWPJZLO-LJQANCHMSA-N 2 2 371.529 1.497 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366680203 537822154 /nfs/dbraw/zinc/82/21/54/537822154.db2.gz QJIYTFWTUPBYPA-WDSOQIARSA-N 2 2 364.534 1.778 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366680203 537822159 /nfs/dbraw/zinc/82/21/59/537822159.db2.gz QJIYTFWTUPBYPA-WDSOQIARSA-N 2 2 364.534 1.778 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837654 538094381 /nfs/dbraw/zinc/09/43/81/538094381.db2.gz CZQHQDFODAKKPR-LPHOPBHVSA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837654 538094383 /nfs/dbraw/zinc/09/43/83/538094383.db2.gz CZQHQDFODAKKPR-LPHOPBHVSA-N 2 2 370.497 1.952 20 30 FDEDLP C[NH+](C)CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC000567689965 548215179 /nfs/dbraw/zinc/21/51/79/548215179.db2.gz VCMFDENZQKFPCA-OAHLLOKOSA-N 2 2 352.504 1.683 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000576441719 550549204 /nfs/dbraw/zinc/54/92/04/550549204.db2.gz XIEJOSDFNHZMKO-MSOLQXFVSA-N 2 2 364.534 1.970 20 30 FDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCOCC2)c2cc[nH+]cc12 ZINC000576748076 550581609 /nfs/dbraw/zinc/58/16/09/550581609.db2.gz FKDDLYSYWBFXTR-INIZCTEOSA-N 2 2 369.469 1.690 20 30 FDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCOCC2)c2cc[nH+]cc12 ZINC000576748076 550581610 /nfs/dbraw/zinc/58/16/10/550581610.db2.gz FKDDLYSYWBFXTR-INIZCTEOSA-N 2 2 369.469 1.690 20 30 FDEDLP C=CCC(C)(C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000578556889 550776654 /nfs/dbraw/zinc/77/66/54/550776654.db2.gz UJWBRZAKENPEJY-UHFFFAOYSA-N 2 2 364.534 1.286 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000592185183 551955248 /nfs/dbraw/zinc/95/52/48/551955248.db2.gz VKWVHFKXPFRIJH-SFHVURJKSA-N 2 2 354.454 1.460 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000592185183 551955249 /nfs/dbraw/zinc/95/52/49/551955249.db2.gz VKWVHFKXPFRIJH-SFHVURJKSA-N 2 2 354.454 1.460 20 30 FDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000593990266 552235394 /nfs/dbraw/zinc/23/53/94/552235394.db2.gz AADGXDDLWODPEA-FXAWDEMLSA-N 2 2 373.497 1.677 20 30 FDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000593990266 552235397 /nfs/dbraw/zinc/23/53/97/552235397.db2.gz AADGXDDLWODPEA-FXAWDEMLSA-N 2 2 373.497 1.677 20 30 FDEDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000594000419 552236223 /nfs/dbraw/zinc/23/62/23/552236223.db2.gz VKVJZUUGYIOJAG-GOSISDBHSA-N 2 2 361.486 1.317 20 30 FDEDLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594437773 552309602 /nfs/dbraw/zinc/30/96/02/552309602.db2.gz FFWIDNREXNNXMG-LJQANCHMSA-N 2 2 373.501 1.663 20 30 FDEDLP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]2CCOCC2)cc1 ZINC000594440915 552310995 /nfs/dbraw/zinc/31/09/95/552310995.db2.gz JFYLOYLWVOJGBL-OALUTQOASA-N 2 2 358.486 1.896 20 30 FDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000594441103 552311295 /nfs/dbraw/zinc/31/12/95/552311295.db2.gz MVFKTOISXOLHFA-KRWDZBQOSA-N 2 2 354.458 1.390 20 30 FDEDLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)CC1 ZINC000594445413 552311675 /nfs/dbraw/zinc/31/16/75/552311675.db2.gz KDNSWBRJBZYVBD-LJQANCHMSA-N 2 2 371.485 1.700 20 30 FDEDLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)c1 ZINC000594445569 552312203 /nfs/dbraw/zinc/31/22/03/552312203.db2.gz HXSAGCHVXJMZSW-SFHVURJKSA-N 2 2 374.485 1.759 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000594803989 552390897 /nfs/dbraw/zinc/39/08/97/552390897.db2.gz SYTHCGUOJVZLOG-ZDUSSCGKSA-N 2 2 356.467 1.248 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000594803989 552390899 /nfs/dbraw/zinc/39/08/99/552390899.db2.gz SYTHCGUOJVZLOG-ZDUSSCGKSA-N 2 2 356.467 1.248 20 30 FDEDLP CN(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1(C#N)CCCCC1 ZINC000595468947 552567458 /nfs/dbraw/zinc/56/74/58/552567458.db2.gz FBZBCYRXAMWOSA-SFHVURJKSA-N 2 2 362.518 1.858 20 30 FDEDLP CN(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1(C#N)CCCCC1 ZINC000595468947 552567460 /nfs/dbraw/zinc/56/74/60/552567460.db2.gz FBZBCYRXAMWOSA-SFHVURJKSA-N 2 2 362.518 1.858 20 30 FDEDLP N#Cc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000596047322 552649491 /nfs/dbraw/zinc/64/94/91/552649491.db2.gz PKFJHPIFNPCCNN-RTBURBONSA-N 2 2 354.454 1.506 20 30 FDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000598719411 552928045 /nfs/dbraw/zinc/92/80/45/552928045.db2.gz HWNUEIGALCEDMW-SFHVURJKSA-N 2 2 361.486 1.788 20 30 FDEDLP CCC1([NH+](C)C)CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000602966426 553682520 /nfs/dbraw/zinc/68/25/20/553682520.db2.gz FHWGBLKAMQNGLO-SFHVURJKSA-N 2 2 363.550 1.485 20 30 FDEDLP COc1cc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1C#N ZINC000619654652 555818146 /nfs/dbraw/zinc/81/81/46/555818146.db2.gz JLJLPNNYBVGOEX-MRXNPFEDSA-N 2 2 353.426 1.581 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N(C)C[C@H]1CCOC1 ZINC000261602064 672633344 /nfs/dbraw/zinc/63/33/44/672633344.db2.gz BYXZFHSXMHYZAW-QGZVFWFLSA-N 2 2 352.523 1.565 20 30 FDEDLP COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC000264126870 672901938 /nfs/dbraw/zinc/90/19/38/672901938.db2.gz SKPCXSBHWCVLGU-HNNXBMFYSA-N 2 2 350.463 1.787 20 30 FDEDLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969705329 770694273 /nfs/dbraw/zinc/69/42/73/770694273.db2.gz WKRZMUZJLMCJJG-PMUMKWKESA-N 2 2 358.461 1.974 20 30 FDEDLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969705329 770694280 /nfs/dbraw/zinc/69/42/80/770694280.db2.gz WKRZMUZJLMCJJG-PMUMKWKESA-N 2 2 358.461 1.974 20 30 FDEDLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969704127 770703288 /nfs/dbraw/zinc/70/32/88/770703288.db2.gz LOQBNTUGZWWPMH-HBUWYVDXSA-N 2 2 358.461 1.974 20 30 FDEDLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969704127 770703295 /nfs/dbraw/zinc/70/32/95/770703295.db2.gz LOQBNTUGZWWPMH-HBUWYVDXSA-N 2 2 358.461 1.974 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@H]2C1 ZINC001083246062 783036294 /nfs/dbraw/zinc/03/62/94/783036294.db2.gz XKOXUWFOLWGVSY-RBUKOAKNSA-N 2 2 367.453 1.759 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncccn2)C1 ZINC001104306273 774442558 /nfs/dbraw/zinc/44/25/58/774442558.db2.gz UWIFCOGQNIIRDL-KURKYZTESA-N 2 2 355.486 1.148 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncccn2)C1 ZINC001104306273 774442565 /nfs/dbraw/zinc/44/25/65/774442565.db2.gz UWIFCOGQNIIRDL-KURKYZTESA-N 2 2 355.486 1.148 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378298436 793911440 /nfs/dbraw/zinc/91/14/40/793911440.db2.gz ZPTQXJCJGDTUKY-UXHICEINSA-N 2 2 370.497 1.873 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378298436 793911444 /nfs/dbraw/zinc/91/14/44/793911444.db2.gz ZPTQXJCJGDTUKY-UXHICEINSA-N 2 2 370.497 1.873 20 30 FDEDLP C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC001105265102 795634863 /nfs/dbraw/zinc/63/48/63/795634863.db2.gz YFXPWEXYYREOQB-IAOVAPTHSA-N 2 2 369.473 1.633 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112527582 805553858 /nfs/dbraw/zinc/55/38/58/805553858.db2.gz MMYODJAMMQVBAV-FVJLSDCUSA-N 2 2 370.497 1.698 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)s2)O1 ZINC001027966201 807129356 /nfs/dbraw/zinc/12/93/56/807129356.db2.gz LXNLHEDISLFZDS-CKEIUWERSA-N 2 2 362.499 1.419 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)s2)O1 ZINC001027966201 807129357 /nfs/dbraw/zinc/12/93/57/807129357.db2.gz LXNLHEDISLFZDS-CKEIUWERSA-N 2 2 362.499 1.419 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)O1 ZINC001027966201 807129358 /nfs/dbraw/zinc/12/93/58/807129358.db2.gz LXNLHEDISLFZDS-CKEIUWERSA-N 2 2 362.499 1.419 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)O1 ZINC001027966201 807129362 /nfs/dbraw/zinc/12/93/62/807129362.db2.gz LXNLHEDISLFZDS-CKEIUWERSA-N 2 2 362.499 1.419 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000663668633 808406277 /nfs/dbraw/zinc/40/62/77/808406277.db2.gz PWNMCUVSNBGQFO-RTBURBONSA-N 2 2 364.534 1.801 20 30 FDEDLP C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262027173 811370416 /nfs/dbraw/zinc/37/04/16/811370416.db2.gz ZZTLGUZMPLEUCA-HIFRSBDPSA-N 2 2 360.422 1.146 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087529216 820603281 /nfs/dbraw/zinc/60/32/81/820603281.db2.gz VPZZWQJMTQPBHC-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087529216 820603287 /nfs/dbraw/zinc/60/32/87/820603287.db2.gz VPZZWQJMTQPBHC-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087529216 820603289 /nfs/dbraw/zinc/60/32/89/820603289.db2.gz VPZZWQJMTQPBHC-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087529216 820603293 /nfs/dbraw/zinc/60/32/93/820603293.db2.gz VPZZWQJMTQPBHC-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCN(O)C2=O)c2c1OC(F)(F)O2 ZINC000895157022 821164876 /nfs/dbraw/zinc/16/48/76/821164876.db2.gz KXKRDMYKGBZJQI-LBPRGKRZSA-N 2 2 357.357 1.540 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895686459 822698803 /nfs/dbraw/zinc/69/88/03/822698803.db2.gz RVZOAGGMCGBOJD-RBUKOAKNSA-N 2 2 364.534 1.472 20 30 FDEDLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330266271 825780973 /nfs/dbraw/zinc/78/09/73/825780973.db2.gz PWQHGAUDJHOEDG-OAHLLOKOSA-N 2 2 361.490 1.819 20 30 FDEDLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330266271 825780980 /nfs/dbraw/zinc/78/09/80/825780980.db2.gz PWQHGAUDJHOEDG-OAHLLOKOSA-N 2 2 361.490 1.819 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001088171048 827236318 /nfs/dbraw/zinc/23/63/18/827236318.db2.gz VFXKPAWUQBFQLD-MOPGFXCFSA-N 2 2 363.465 1.815 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001088171048 827236327 /nfs/dbraw/zinc/23/63/27/827236327.db2.gz VFXKPAWUQBFQLD-MOPGFXCFSA-N 2 2 363.465 1.815 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC000985486285 827989680 /nfs/dbraw/zinc/98/96/80/827989680.db2.gz ZAONHZGHOQKTEE-NUJGCVRESA-N 2 2 371.485 1.223 20 30 FDEDLP C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC000985486285 827989682 /nfs/dbraw/zinc/98/96/82/827989682.db2.gz ZAONHZGHOQKTEE-NUJGCVRESA-N 2 2 371.485 1.223 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC000985486285 827989685 /nfs/dbraw/zinc/98/96/85/827989685.db2.gz ZAONHZGHOQKTEE-NUJGCVRESA-N 2 2 371.485 1.223 20 30 FDEDLP C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC000985486285 827989688 /nfs/dbraw/zinc/98/96/88/827989688.db2.gz ZAONHZGHOQKTEE-NUJGCVRESA-N 2 2 371.485 1.223 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2csc(C)n2)[C@@H]1C ZINC001088631415 838603668 /nfs/dbraw/zinc/60/36/68/838603668.db2.gz KHDVZDPRDHZBFH-JLSDUUJJSA-N 2 2 360.527 1.671 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2csc(C)n2)[C@@H]1C ZINC001088631415 838603674 /nfs/dbraw/zinc/60/36/74/838603674.db2.gz KHDVZDPRDHZBFH-JLSDUUJJSA-N 2 2 360.527 1.671 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2csc(C)n2)[C@@H]1C ZINC001088631415 838603677 /nfs/dbraw/zinc/60/36/77/838603677.db2.gz KHDVZDPRDHZBFH-JLSDUUJJSA-N 2 2 360.527 1.671 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2csc(C)n2)[C@@H]1C ZINC001088631415 838603687 /nfs/dbraw/zinc/60/36/87/838603687.db2.gz KHDVZDPRDHZBFH-JLSDUUJJSA-N 2 2 360.527 1.671 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105667937 843724928 /nfs/dbraw/zinc/72/49/28/843724928.db2.gz GRAYKLSKIMOFMG-IZBJGVDFSA-N 2 2 358.486 1.250 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001105668084 843753623 /nfs/dbraw/zinc/75/36/23/843753623.db2.gz WCTNFHPLIXRZTG-JYBIWHBTSA-N 2 2 360.502 1.505 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2C)C[C@@H]1O ZINC001083535329 846902323 /nfs/dbraw/zinc/90/23/23/846902323.db2.gz LKMSPLAWDWOYFG-HKBOAZHASA-N 2 2 369.509 1.371 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)C[C@@H]1O ZINC001083535329 846902326 /nfs/dbraw/zinc/90/23/26/846902326.db2.gz LKMSPLAWDWOYFG-HKBOAZHASA-N 2 2 369.509 1.371 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)cc(C)cc2C)C[C@@H]1O ZINC001083535329 846902331 /nfs/dbraw/zinc/90/23/31/846902331.db2.gz LKMSPLAWDWOYFG-HKBOAZHASA-N 2 2 369.509 1.371 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)cc(C)cc2C)C[C@@H]1O ZINC001083535329 846902334 /nfs/dbraw/zinc/90/23/34/846902334.db2.gz LKMSPLAWDWOYFG-HKBOAZHASA-N 2 2 369.509 1.371 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1O ZINC001077158976 849954512 /nfs/dbraw/zinc/95/45/12/849954512.db2.gz HTBATFKTAMULOV-HSALFYBXSA-N 2 2 361.530 1.606 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1O ZINC001077158976 849954513 /nfs/dbraw/zinc/95/45/13/849954513.db2.gz HTBATFKTAMULOV-HSALFYBXSA-N 2 2 361.530 1.606 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1O ZINC001077158976 849954516 /nfs/dbraw/zinc/95/45/16/849954516.db2.gz HTBATFKTAMULOV-HSALFYBXSA-N 2 2 361.530 1.606 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1O ZINC001077158976 849954529 /nfs/dbraw/zinc/95/45/29/849954529.db2.gz HTBATFKTAMULOV-HSALFYBXSA-N 2 2 361.530 1.606 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001077311221 850509387 /nfs/dbraw/zinc/50/93/87/850509387.db2.gz YCXGUVCRBADTTQ-RTBURBONSA-N 2 2 361.405 1.181 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001077311221 850509393 /nfs/dbraw/zinc/50/93/93/850509393.db2.gz YCXGUVCRBADTTQ-RTBURBONSA-N 2 2 361.405 1.181 20 30 FDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000905438447 851942250 /nfs/dbraw/zinc/94/22/50/851942250.db2.gz KIEMWUWVUAKCMK-PMACEKPBSA-N 2 2 357.502 1.589 20 30 FDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000905438447 851942258 /nfs/dbraw/zinc/94/22/58/851942258.db2.gz KIEMWUWVUAKCMK-PMACEKPBSA-N 2 2 357.502 1.589 20 30 FDEDLP C[NH+](CCC#N)C[C@@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000905438447 851942260 /nfs/dbraw/zinc/94/22/60/851942260.db2.gz KIEMWUWVUAKCMK-PMACEKPBSA-N 2 2 357.502 1.589 20 30 FDEDLP C[NH+](CCC#N)C[C@@H](O)CNc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000905438447 851942263 /nfs/dbraw/zinc/94/22/63/851942263.db2.gz KIEMWUWVUAKCMK-PMACEKPBSA-N 2 2 357.502 1.589 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cc1C#N ZINC001089040330 866227848 /nfs/dbraw/zinc/22/78/48/866227848.db2.gz MCRCGPLWBUGKLW-QAPCUYQASA-N 2 2 356.470 1.742 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cc1C#N ZINC001089040330 866227867 /nfs/dbraw/zinc/22/78/67/866227867.db2.gz MCRCGPLWBUGKLW-QAPCUYQASA-N 2 2 356.470 1.742 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)s3)[C@@H]2C)CC1 ZINC001089059492 866386298 /nfs/dbraw/zinc/38/62/98/866386298.db2.gz OMOWPIBLQLLHCH-WBVHZDCISA-N 2 2 360.527 1.876 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)s3)[C@@H]2C)CC1 ZINC001089059492 866386314 /nfs/dbraw/zinc/38/63/14/866386314.db2.gz OMOWPIBLQLLHCH-WBVHZDCISA-N 2 2 360.527 1.876 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455358 875400300 /nfs/dbraw/zinc/40/03/00/875400300.db2.gz PFQSFZXCHBKMCV-ZTFGCOKTSA-N 2 2 370.497 1.442 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106799240 878007265 /nfs/dbraw/zinc/00/72/65/878007265.db2.gz FFMLUEJYBKPEJN-HZPDHXFCSA-N 2 2 361.490 1.061 20 30 FDEDLP C=CCNc1ncc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000676345616 886448313 /nfs/dbraw/zinc/44/83/13/886448313.db2.gz VCSVOUMTPUOXPZ-OAHLLOKOSA-N 2 2 363.531 1.982 20 30 FDEDLP C=CCNc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000676345616 886448318 /nfs/dbraw/zinc/44/83/18/886448318.db2.gz VCSVOUMTPUOXPZ-OAHLLOKOSA-N 2 2 363.531 1.982 20 30 FDEDLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000900044670 886843982 /nfs/dbraw/zinc/84/39/82/886843982.db2.gz FPGWAUPLGHEACB-QUCCMNQESA-N 2 2 356.470 1.048 20 30 FDEDLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900044670 886844012 /nfs/dbraw/zinc/84/40/12/886844012.db2.gz FPGWAUPLGHEACB-QUCCMNQESA-N 2 2 356.470 1.048 20 30 FDEDLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900044670 886844020 /nfs/dbraw/zinc/84/40/20/886844020.db2.gz FPGWAUPLGHEACB-QUCCMNQESA-N 2 2 356.470 1.048 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC001031683884 887448007 /nfs/dbraw/zinc/44/80/07/887448007.db2.gz BAKZBCSCYHENGH-PKOBYXMFSA-N 2 2 358.461 1.976 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC001031683884 887448026 /nfs/dbraw/zinc/44/80/26/887448026.db2.gz BAKZBCSCYHENGH-PKOBYXMFSA-N 2 2 358.461 1.976 20 30 FDEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084091973 913383349 /nfs/dbraw/zinc/38/33/49/913383349.db2.gz ZKMNFPSLQFUAPK-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084091973 913383367 /nfs/dbraw/zinc/38/33/67/913383367.db2.gz ZKMNFPSLQFUAPK-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084091973 913383383 /nfs/dbraw/zinc/38/33/83/913383383.db2.gz ZKMNFPSLQFUAPK-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001084091973 913383390 /nfs/dbraw/zinc/38/33/90/913383390.db2.gz ZKMNFPSLQFUAPK-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959883 897327141 /nfs/dbraw/zinc/32/71/41/897327141.db2.gz TVCIKVKUMFLKLI-KZNAEPCWSA-N 2 2 370.497 1.534 20 30 FDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959883 897327147 /nfs/dbraw/zinc/32/71/47/897327147.db2.gz TVCIKVKUMFLKLI-KZNAEPCWSA-N 2 2 370.497 1.534 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129307598 901083935 /nfs/dbraw/zinc/08/39/35/901083935.db2.gz HLQGYRMHGWFITH-SJORKVTESA-N 2 2 371.489 1.606 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129307598 901083945 /nfs/dbraw/zinc/08/39/45/901083945.db2.gz HLQGYRMHGWFITH-SJORKVTESA-N 2 2 371.489 1.606 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079261973 902301918 /nfs/dbraw/zinc/30/19/18/902301918.db2.gz TUWMDYZXGCEVQH-VXIBKDFQSA-N 2 2 368.481 1.096 20 30 FDEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001081766872 905052724 /nfs/dbraw/zinc/05/27/24/905052724.db2.gz HJVMHTGUPCDSKI-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001081766872 905052743 /nfs/dbraw/zinc/05/27/43/905052743.db2.gz HJVMHTGUPCDSKI-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001081766872 905052760 /nfs/dbraw/zinc/05/27/60/905052760.db2.gz HJVMHTGUPCDSKI-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001081766872 905052779 /nfs/dbraw/zinc/05/27/79/905052779.db2.gz HJVMHTGUPCDSKI-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082270457 906452072 /nfs/dbraw/zinc/45/20/72/906452072.db2.gz HNTGTPVETBHOLJ-WOJBJXKFSA-N 2 2 370.497 1.606 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082270457 906452085 /nfs/dbraw/zinc/45/20/85/906452085.db2.gz HNTGTPVETBHOLJ-WOJBJXKFSA-N 2 2 370.497 1.606 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]2C)CC1 ZINC001080997871 906974529 /nfs/dbraw/zinc/97/45/29/906974529.db2.gz NJPUQDIWBQPOSO-JFIYKMOQSA-N 2 2 355.486 1.319 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]2C)CC1 ZINC001080997871 906974533 /nfs/dbraw/zinc/97/45/33/906974533.db2.gz NJPUQDIWBQPOSO-JFIYKMOQSA-N 2 2 355.486 1.319 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001082567776 908702676 /nfs/dbraw/zinc/70/26/76/908702676.db2.gz ADDLJTBXRHWMNQ-OIISXLGYSA-N 2 2 356.470 1.586 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001082567776 908702688 /nfs/dbraw/zinc/70/26/88/908702688.db2.gz ADDLJTBXRHWMNQ-OIISXLGYSA-N 2 2 356.470 1.586 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)sc2C)C1 ZINC001082568049 908707222 /nfs/dbraw/zinc/70/72/22/908707222.db2.gz UTNJSHVHGRKHNV-XWIAVFTESA-N 2 2 360.527 1.794 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)sc2C)C1 ZINC001082568049 908707228 /nfs/dbraw/zinc/70/72/28/908707228.db2.gz UTNJSHVHGRKHNV-XWIAVFTESA-N 2 2 360.527 1.794 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001082604020 908921877 /nfs/dbraw/zinc/92/18/77/908921877.db2.gz YYTIJZVZDLICIS-MRVWCRGKSA-N 2 2 367.291 1.791 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1F ZINC001084832521 917531795 /nfs/dbraw/zinc/53/17/95/917531795.db2.gz KPZJHVRDKQUYPN-IEBWSBKVSA-N 2 2 356.445 1.826 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1F ZINC001084832521 917531797 /nfs/dbraw/zinc/53/17/97/917531797.db2.gz KPZJHVRDKQUYPN-IEBWSBKVSA-N 2 2 356.445 1.826 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646252 930000409 /nfs/dbraw/zinc/00/04/09/930000409.db2.gz OWYQFBRZJMGNPS-ORQFMDKSSA-N 2 2 374.485 1.367 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646252 930000417 /nfs/dbraw/zinc/00/04/17/930000417.db2.gz OWYQFBRZJMGNPS-ORQFMDKSSA-N 2 2 374.485 1.367 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796945 930463773 /nfs/dbraw/zinc/46/37/73/930463773.db2.gz NEBKFNYPQGVFMM-MHORFTMASA-N 2 2 362.518 1.275 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796945 930463777 /nfs/dbraw/zinc/46/37/77/930463777.db2.gz NEBKFNYPQGVFMM-MHORFTMASA-N 2 2 362.518 1.275 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846450 930582991 /nfs/dbraw/zinc/58/29/91/930582991.db2.gz KQLDXYQIKMNQMQ-BGTYHANMSA-N 2 2 373.501 1.384 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846450 930582997 /nfs/dbraw/zinc/58/29/97/930582997.db2.gz KQLDXYQIKMNQMQ-BGTYHANMSA-N 2 2 373.501 1.384 20 30 FDEDLP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571960 931652595 /nfs/dbraw/zinc/65/25/95/931652595.db2.gz WTLHEDSMINGOIL-PXNSSMCTSA-N 2 2 360.502 1.774 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151285 938715641 /nfs/dbraw/zinc/71/56/41/938715641.db2.gz MJBRUGVATSARJZ-SJORKVTESA-N 2 2 357.462 1.263 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1cn(C)cn1 ZINC001130614892 939912400 /nfs/dbraw/zinc/91/24/00/939912400.db2.gz GNLRQVNELOUKLW-FUHWJXTLSA-N 2 2 368.485 1.268 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739721 940041764 /nfs/dbraw/zinc/04/17/64/940041764.db2.gz LPQSZEGQVGTJHJ-SOLBZPMBSA-N 2 2 356.474 1.556 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001131522489 940705984 /nfs/dbraw/zinc/70/59/84/940705984.db2.gz KNVAOCUVJYEQFK-SXLOBPIMSA-N 2 2 370.497 1.455 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045477 941535016 /nfs/dbraw/zinc/53/50/16/941535016.db2.gz HYJIAPGBBUOMSY-ARFHVFGLSA-N 2 2 361.490 1.043 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccc(OC)cc1 ZINC001090877457 947535277 /nfs/dbraw/zinc/53/52/77/947535277.db2.gz SLPXNIAYAXTMMX-RBUKOAKNSA-N 2 2 352.438 1.499 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737018 952764538 /nfs/dbraw/zinc/76/45/38/952764538.db2.gz HDADDYGOGYOEEW-NUJGCVRESA-N 2 2 365.909 1.346 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737018 952764544 /nfs/dbraw/zinc/76/45/44/952764544.db2.gz HDADDYGOGYOEEW-NUJGCVRESA-N 2 2 365.909 1.346 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001086983501 952997254 /nfs/dbraw/zinc/99/72/54/952997254.db2.gz SSKNLKXVZTWABJ-XLMAVXFVSA-N 2 2 354.458 1.407 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001086983501 952997255 /nfs/dbraw/zinc/99/72/55/952997255.db2.gz SSKNLKXVZTWABJ-XLMAVXFVSA-N 2 2 354.458 1.407 20 30 FDEDLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087103667 953276702 /nfs/dbraw/zinc/27/67/02/953276702.db2.gz SKNOQIJJBHGMML-RTBURBONSA-N 2 2 367.453 1.408 20 30 FDEDLP C=CC[NH+]1CCN(C(=O)c2cccc(CN3CCC[N@@H+](C)CC3)c2)CC1 ZINC001197500001 972285500 /nfs/dbraw/zinc/28/55/00/972285500.db2.gz QTSANFIMCOVRPC-UHFFFAOYSA-N 2 2 356.514 1.768 20 30 FDEDLP C=CC[NH+]1CCN(C(=O)c2cccc(CN3CCC[N@H+](C)CC3)c2)CC1 ZINC001197500001 972285507 /nfs/dbraw/zinc/28/55/07/972285507.db2.gz QTSANFIMCOVRPC-UHFFFAOYSA-N 2 2 356.514 1.768 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093448049 958104729 /nfs/dbraw/zinc/10/47/29/958104729.db2.gz CRISGLFOOUGMJC-HNBVOPMISA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093448049 958104742 /nfs/dbraw/zinc/10/47/42/958104742.db2.gz CRISGLFOOUGMJC-HNBVOPMISA-N 2 2 360.502 1.885 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093474623 958249324 /nfs/dbraw/zinc/24/93/24/958249324.db2.gz SWFAMLZMCNFNDU-YVTWGWGSSA-N 2 2 358.486 1.287 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2noc(C3CC3)n2)[C@H](C)C1 ZINC001093833185 958928964 /nfs/dbraw/zinc/92/89/64/958928964.db2.gz XBMJWDSJGDEGFZ-OIISXLGYSA-N 2 2 371.485 1.229 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2noc(C3CC3)n2)[C@H](C)C1 ZINC001093833185 958928966 /nfs/dbraw/zinc/92/89/66/958928966.db2.gz XBMJWDSJGDEGFZ-OIISXLGYSA-N 2 2 371.485 1.229 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094166035 959952204 /nfs/dbraw/zinc/95/22/04/959952204.db2.gz KDDWAGIIIMOQGH-RHSMWYFYSA-N 2 2 369.444 1.858 20 30 FDEDLP CCCCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000774774340 963693207 /nfs/dbraw/zinc/69/32/07/963693207.db2.gz YJJMKCMKLNEIBP-KRWDZBQOSA-N 2 2 366.550 1.748 20 30 FDEDLP CCCCCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000774774340 963693213 /nfs/dbraw/zinc/69/32/13/963693213.db2.gz YJJMKCMKLNEIBP-KRWDZBQOSA-N 2 2 366.550 1.748 20 30 FDEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189544677 967034907 /nfs/dbraw/zinc/03/49/07/967034907.db2.gz RQNAKHCZICEFOF-QFBILLFUSA-N 2 2 365.437 1.063 20 30 FDEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189544677 967034912 /nfs/dbraw/zinc/03/49/12/967034912.db2.gz RQNAKHCZICEFOF-QFBILLFUSA-N 2 2 365.437 1.063 20 30 FDEDLP C#CCC[N@@H+](CCOC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000852752298 967578509 /nfs/dbraw/zinc/57/85/09/967578509.db2.gz XRMHFUJHIUIFSB-LJQANCHMSA-N 2 2 357.498 1.864 20 30 FDEDLP C#CCC[N@H+](CCOC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000852752298 967578517 /nfs/dbraw/zinc/57/85/17/967578517.db2.gz XRMHFUJHIUIFSB-LJQANCHMSA-N 2 2 357.498 1.864 20 30 FDEDLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198003869 972630914 /nfs/dbraw/zinc/63/09/14/972630914.db2.gz LCJYUPGNFAUGHI-HZPDHXFCSA-N 2 2 350.488 1.013 20 30 FDEDLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198003869 972630926 /nfs/dbraw/zinc/63/09/26/972630926.db2.gz LCJYUPGNFAUGHI-HZPDHXFCSA-N 2 2 350.488 1.013 20 30 FDEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198003869 972630937 /nfs/dbraw/zinc/63/09/37/972630937.db2.gz LCJYUPGNFAUGHI-HZPDHXFCSA-N 2 2 350.488 1.013 20 30 FDEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001198003869 972630948 /nfs/dbraw/zinc/63/09/48/972630948.db2.gz LCJYUPGNFAUGHI-HZPDHXFCSA-N 2 2 350.488 1.013 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(C#N)c[nH]c4c3)C2)CC1 ZINC000865750545 974461295 /nfs/dbraw/zinc/46/12/95/974461295.db2.gz QNHQBTKNPCXJGI-MRXNPFEDSA-N 2 2 351.454 1.938 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(C#N)c[nH]c4c3)C2)CC1 ZINC000865750545 974461300 /nfs/dbraw/zinc/46/13/00/974461300.db2.gz QNHQBTKNPCXJGI-MRXNPFEDSA-N 2 2 351.454 1.938 20 30 FDEDLP CC#CC[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000645327817 1014243066 /nfs/dbraw/zinc/24/30/66/1014243066.db2.gz BQWSAYUKCROCBN-KRWDZBQOSA-N 2 2 350.507 1.010 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771260 982723045 /nfs/dbraw/zinc/72/30/45/982723045.db2.gz NTQJTDXDOKJDIF-UWIFEVILSA-N 2 2 367.453 1.360 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771260 982723051 /nfs/dbraw/zinc/72/30/51/982723051.db2.gz NTQJTDXDOKJDIF-UWIFEVILSA-N 2 2 367.453 1.360 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H](O)c3ccc(C#N)cc3)c2)CC1 ZINC000870666667 986211548 /nfs/dbraw/zinc/21/15/48/986211548.db2.gz JCDXEKDMBOGIJS-SFHVURJKSA-N 2 2 351.410 1.377 20 30 FDEDLP C#CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)C1CC[NH+](C)CC1 ZINC000886575810 986375337 /nfs/dbraw/zinc/37/53/37/986375337.db2.gz LLKGTZDEJAWEBV-SFHVURJKSA-N 2 2 373.501 1.039 20 30 FDEDLP C#CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)C1CC[NH+](C)CC1 ZINC000886575810 986375352 /nfs/dbraw/zinc/37/53/52/986375352.db2.gz LLKGTZDEJAWEBV-SFHVURJKSA-N 2 2 373.501 1.039 20 30 FDEDLP N#Cc1ccc(N2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cn1 ZINC000872146454 987460834 /nfs/dbraw/zinc/46/08/34/987460834.db2.gz OFJORWRREKCPGG-PMACEKPBSA-N 2 2 351.454 1.006 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000371875595 990792413 /nfs/dbraw/zinc/79/24/13/990792413.db2.gz DMJCIYGOZUZSMP-GOSISDBHSA-N 2 2 369.513 1.297 20 30 FDEDLP CCCCCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000875151027 990968182 /nfs/dbraw/zinc/96/81/82/990968182.db2.gz PYCLHAPCXXNYOV-UHFFFAOYSA-N 2 2 366.550 1.748 20 30 FDEDLP CCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875215459 991097946 /nfs/dbraw/zinc/09/79/46/991097946.db2.gz WUVYGHXCJGEVHX-MRXNPFEDSA-N 2 2 352.523 1.358 20 30 FDEDLP CCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875215459 991097956 /nfs/dbraw/zinc/09/79/56/991097956.db2.gz WUVYGHXCJGEVHX-MRXNPFEDSA-N 2 2 352.523 1.358 20 30 FDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000264147161 997414665 /nfs/dbraw/zinc/41/46/65/997414665.db2.gz YBLOQURXUSJLDE-QGZVFWFLSA-N 2 2 361.490 1.815 20 30 FDEDLP C[C@H]1CCCN(C(=[NH2+])NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104183375 998315600 /nfs/dbraw/zinc/31/56/00/998315600.db2.gz PTJIZLZPTROIGU-INIZCTEOSA-N 2 2 358.490 1.167 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000890374914 998919938 /nfs/dbraw/zinc/91/99/38/998919938.db2.gz PBMJHZFFZSFZEQ-FQEVSTJZSA-N 2 2 370.497 1.780 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000890374914 998919941 /nfs/dbraw/zinc/91/99/41/998919941.db2.gz PBMJHZFFZSFZEQ-FQEVSTJZSA-N 2 2 370.497 1.780 20 30 FDEDLP Cc1noc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000266323964 999146794 /nfs/dbraw/zinc/14/67/94/999146794.db2.gz RVMZTAAVRBSDOL-UHFFFAOYSA-N 2 2 358.446 1.375 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188920 1006749957 /nfs/dbraw/zinc/74/99/57/1006749957.db2.gz KXHIVZWOFCNMDB-QRVBRYPASA-N 2 2 365.437 1.252 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188920 1006749969 /nfs/dbraw/zinc/74/99/69/1006749969.db2.gz KXHIVZWOFCNMDB-QRVBRYPASA-N 2 2 365.437 1.252 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(c2ccccc2F)CC1 ZINC000087055752 1012403104 /nfs/dbraw/zinc/40/31/04/1012403104.db2.gz ZEKYQKVYOGYOJI-UHFFFAOYSA-N 2 2 373.480 1.523 20 30 FDEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C#N ZINC000535014261 540439348 /nfs/dbraw/zinc/43/93/48/540439348.db2.gz VATNPYNHWVIECD-JXFKEZNVSA-N 2 2 370.497 1.803 20 30 FDEDLP COC(=O)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C#N ZINC000535014261 540439349 /nfs/dbraw/zinc/43/93/49/540439349.db2.gz VATNPYNHWVIECD-JXFKEZNVSA-N 2 2 370.497 1.803 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000083170072 172202657 /nfs/dbraw/zinc/20/26/57/172202657.db2.gz QFWXUDWWSYGHFH-GOSISDBHSA-N 2 2 372.469 1.162 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)CC1 ZINC000173708741 258308423 /nfs/dbraw/zinc/30/84/23/258308423.db2.gz VTYMYMVAAYZLCQ-GOSISDBHSA-N 2 2 366.469 1.820 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)CC1 ZINC000173708741 258308424 /nfs/dbraw/zinc/30/84/24/258308424.db2.gz VTYMYMVAAYZLCQ-GOSISDBHSA-N 2 2 366.469 1.820 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000553329258 543610447 /nfs/dbraw/zinc/61/04/47/543610447.db2.gz CBSWWZPKAOOVAI-UHFFFAOYSA-N 2 2 367.453 1.255 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000557234157 544267369 /nfs/dbraw/zinc/26/73/69/544267369.db2.gz KBGHNELNBMGWGV-MRXNPFEDSA-N 2 2 364.534 1.522 20 30 FDEDLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000328815390 259059905 /nfs/dbraw/zinc/05/99/05/259059905.db2.gz CJOCVAHLTQJGTM-QFBILLFUSA-N 2 2 359.470 1.483 20 30 FDEDLP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000328815390 259059906 /nfs/dbraw/zinc/05/99/06/259059906.db2.gz CJOCVAHLTQJGTM-QFBILLFUSA-N 2 2 359.470 1.483 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329075887 259075778 /nfs/dbraw/zinc/07/57/78/259075778.db2.gz AOUBJUQULVQNIT-IAGOWNOFSA-N 2 2 370.497 1.952 20 30 FDEDLP COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274992 260331386 /nfs/dbraw/zinc/33/13/86/260331386.db2.gz UMRXZLGVWBUFNQ-INIZCTEOSA-N 2 2 372.469 1.230 20 30 FDEDLP COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274992 260331388 /nfs/dbraw/zinc/33/13/88/260331388.db2.gz UMRXZLGVWBUFNQ-INIZCTEOSA-N 2 2 372.469 1.230 20 30 FDEDLP C[C@@H]1CN(CC(=O)Nc2sccc2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374257798 261101104 /nfs/dbraw/zinc/10/11/04/261101104.db2.gz GUFDSPHTUJNDER-CQSZACIVSA-N 2 2 361.515 1.659 20 30 FDEDLP C[C@@H]1CN(CC(=O)Nc2sccc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374257798 261101105 /nfs/dbraw/zinc/10/11/05/261101105.db2.gz GUFDSPHTUJNDER-CQSZACIVSA-N 2 2 361.515 1.659 20 30 FDEDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000378300888 262004951 /nfs/dbraw/zinc/00/49/51/262004951.db2.gz ZQXFVVONVVBRBR-SFHVURJKSA-N 2 2 355.486 1.456 20 30 FDEDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000378300888 262004953 /nfs/dbraw/zinc/00/49/53/262004953.db2.gz ZQXFVVONVVBRBR-SFHVURJKSA-N 2 2 355.486 1.456 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000029857075 519327278 /nfs/dbraw/zinc/32/72/78/519327278.db2.gz LKPDCFPXJQGEQH-MRXNPFEDSA-N 2 2 373.476 1.372 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000072851511 522406712 /nfs/dbraw/zinc/40/67/12/522406712.db2.gz MHIORPDGOWWZHL-UHFFFAOYSA-N 2 2 367.453 1.968 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000050025753 522877520 /nfs/dbraw/zinc/87/75/20/522877520.db2.gz VSESCOPXDCDNLA-FQEVSTJZSA-N 2 2 355.482 1.349 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000050025753 522877530 /nfs/dbraw/zinc/87/75/30/522877530.db2.gz VSESCOPXDCDNLA-FQEVSTJZSA-N 2 2 355.482 1.349 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(OCC#N)c1 ZINC000090011665 524571475 /nfs/dbraw/zinc/57/14/75/524571475.db2.gz NCDCEJYRUYPRFA-UHFFFAOYSA-N 2 2 358.486 1.616 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(OCC#N)c1 ZINC000090011665 524571482 /nfs/dbraw/zinc/57/14/82/524571482.db2.gz NCDCEJYRUYPRFA-UHFFFAOYSA-N 2 2 358.486 1.616 20 30 FDEDLP Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)c(C#N)c1C ZINC000174717128 524703261 /nfs/dbraw/zinc/70/32/61/524703261.db2.gz OHAVBYZICJJDMN-HNNXBMFYSA-N 2 2 361.490 1.664 20 30 FDEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)c(C#N)c1C ZINC000174717128 524703270 /nfs/dbraw/zinc/70/32/70/524703270.db2.gz OHAVBYZICJJDMN-HNNXBMFYSA-N 2 2 361.490 1.664 20 30 FDEDLP CC[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CCN(C(C)=O)CC1 ZINC000103893765 525379788 /nfs/dbraw/zinc/37/97/88/525379788.db2.gz BZYSQILKZDJBSO-UHFFFAOYSA-N 2 2 363.531 1.236 20 30 FDEDLP CC[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N1CCN(C(C)=O)CC1 ZINC000103893765 525379795 /nfs/dbraw/zinc/37/97/95/525379795.db2.gz BZYSQILKZDJBSO-UHFFFAOYSA-N 2 2 363.531 1.236 20 30 FDEDLP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000104173546 525398640 /nfs/dbraw/zinc/39/86/40/525398640.db2.gz QGFGEBOVXFHMPM-OAHLLOKOSA-N 3 2 365.547 1.121 20 30 FDEDLP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000104173546 525398645 /nfs/dbraw/zinc/39/86/45/525398645.db2.gz QGFGEBOVXFHMPM-OAHLLOKOSA-N 3 2 365.547 1.121 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)C(C)C ZINC000185442122 536208602 /nfs/dbraw/zinc/20/86/02/536208602.db2.gz FPVCOCNBCPRZLD-KRWDZBQOSA-N 2 2 372.517 1.866 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)C(C)C ZINC000185442102 536208627 /nfs/dbraw/zinc/20/86/27/536208627.db2.gz FPVCOCNBCPRZLD-QGZVFWFLSA-N 2 2 372.517 1.866 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000293027002 537299518 /nfs/dbraw/zinc/29/95/18/537299518.db2.gz PDZWALQLDWKVCQ-UHFFFAOYSA-N 2 2 368.478 1.344 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000293027002 537299530 /nfs/dbraw/zinc/29/95/30/537299530.db2.gz PDZWALQLDWKVCQ-UHFFFAOYSA-N 2 2 368.478 1.344 20 30 FDEDLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)cn1 ZINC000329924401 537647008 /nfs/dbraw/zinc/64/70/08/537647008.db2.gz UZYULXWDADWLQG-ZOBUZTSGSA-N 2 2 364.469 1.073 20 30 FDEDLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)cn1 ZINC000329924401 537647011 /nfs/dbraw/zinc/64/70/11/537647011.db2.gz UZYULXWDADWLQG-ZOBUZTSGSA-N 2 2 364.469 1.073 20 30 FDEDLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000329924401 537647017 /nfs/dbraw/zinc/64/70/17/537647017.db2.gz UZYULXWDADWLQG-ZOBUZTSGSA-N 2 2 364.469 1.073 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371265890 537797201 /nfs/dbraw/zinc/79/72/01/537797201.db2.gz GLFVZZMUYDFQFE-ROUUACIJSA-N 2 2 369.513 1.845 20 30 FDEDLP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000371372251 537825922 /nfs/dbraw/zinc/82/59/22/537825922.db2.gz FVLWJXUMHFTAFO-UHFFFAOYSA-N 2 2 362.499 1.993 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000418721861 538100493 /nfs/dbraw/zinc/10/04/93/538100493.db2.gz MMKYGVSIIPICFZ-MOPGFXCFSA-N 2 2 355.486 1.903 20 30 FDEDLP C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CC[NH+](CCO)CC1 ZINC000435139317 538382918 /nfs/dbraw/zinc/38/29/18/538382918.db2.gz NPHAJCQBALBRNI-UHFFFAOYSA-N 2 2 368.485 1.747 20 30 FDEDLP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CC[NH+](CCO)CC1 ZINC000435139317 538382923 /nfs/dbraw/zinc/38/29/23/538382923.db2.gz NPHAJCQBALBRNI-UHFFFAOYSA-N 2 2 368.485 1.747 20 30 FDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CCC1 ZINC000572572935 549944559 /nfs/dbraw/zinc/94/45/59/549944559.db2.gz AXRWNTQPNILMTO-INIZCTEOSA-N 2 2 369.469 1.697 20 30 FDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CCC1 ZINC000572572935 549944561 /nfs/dbraw/zinc/94/45/61/549944561.db2.gz AXRWNTQPNILMTO-INIZCTEOSA-N 2 2 369.469 1.697 20 30 FDEDLP CN(C)c1nc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000575049403 550415742 /nfs/dbraw/zinc/41/57/42/550415742.db2.gz AKNJTUWTBJLORK-UHFFFAOYSA-N 2 2 367.413 1.645 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CCCCC#N)CC2)CC1 ZINC000576939468 550602254 /nfs/dbraw/zinc/60/22/54/550602254.db2.gz YZHLGSNZRXFHQR-UHFFFAOYSA-N 2 2 356.536 1.502 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CCCCC#N)CC2)CC1 ZINC000576939468 550602255 /nfs/dbraw/zinc/60/22/55/550602255.db2.gz YZHLGSNZRXFHQR-UHFFFAOYSA-N 2 2 356.536 1.502 20 30 FDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000578861384 550808967 /nfs/dbraw/zinc/80/89/67/550808967.db2.gz FLUOGYUNGREFPY-UHFFFAOYSA-N 2 2 357.458 1.412 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000580286760 550962290 /nfs/dbraw/zinc/96/22/90/550962290.db2.gz BDRKULVWSHQPAK-UHFFFAOYSA-N 2 2 371.485 1.108 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[N@H+]3CCCOCC3)CC2)cc1 ZINC000580286760 550962291 /nfs/dbraw/zinc/96/22/91/550962291.db2.gz BDRKULVWSHQPAK-UHFFFAOYSA-N 2 2 371.485 1.108 20 30 FDEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000585727563 551588359 /nfs/dbraw/zinc/58/83/59/551588359.db2.gz WDWOBCOGRPGANB-IRXDYDNUSA-N 2 2 372.517 1.363 20 30 FDEDLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594440262 552311037 /nfs/dbraw/zinc/31/10/37/552311037.db2.gz BDHJUQAOYUHXNG-RTBURBONSA-N 2 2 358.486 1.896 20 30 FDEDLP Cc1cccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000594804381 552391299 /nfs/dbraw/zinc/39/12/99/552391299.db2.gz YKEKUNCDRLVOLC-HNNXBMFYSA-N 2 2 352.504 1.417 20 30 FDEDLP Cc1cccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000594804381 552391300 /nfs/dbraw/zinc/39/13/00/552391300.db2.gz YKEKUNCDRLVOLC-HNNXBMFYSA-N 2 2 352.504 1.417 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3ccc(C#N)cc3)C2)CC1 ZINC000595514365 552576573 /nfs/dbraw/zinc/57/65/73/552576573.db2.gz DURGYUQLRRVWHK-GOSISDBHSA-N 2 2 355.486 1.568 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3ccc(C#N)cc3)C2)CC1 ZINC000595514365 552576574 /nfs/dbraw/zinc/57/65/74/552576574.db2.gz DURGYUQLRRVWHK-GOSISDBHSA-N 2 2 355.486 1.568 20 30 FDEDLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000599090749 552966591 /nfs/dbraw/zinc/96/65/91/552966591.db2.gz CKTWUMVKXNLCQR-LJQANCHMSA-N 2 2 371.485 1.152 20 30 FDEDLP C[N@H+]1CCOC[C@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000599090749 552966592 /nfs/dbraw/zinc/96/65/92/552966592.db2.gz CKTWUMVKXNLCQR-LJQANCHMSA-N 2 2 371.485 1.152 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3c(CC#N)cccc3C2)CC1 ZINC000602290042 553557556 /nfs/dbraw/zinc/55/75/56/553557556.db2.gz UCCCBWBPLOPEJP-UHFFFAOYSA-N 2 2 369.513 1.846 20 30 FDEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602536590 553601012 /nfs/dbraw/zinc/60/10/12/553601012.db2.gz IDJDAVGUTKWWHC-IRXDYDNUSA-N 2 2 358.490 1.811 20 30 FDEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000611171971 554612020 /nfs/dbraw/zinc/61/20/20/554612020.db2.gz QWKUFLQUFVSLAH-QGZVFWFLSA-N 2 2 355.442 1.048 20 30 FDEDLP N#Cc1ccc(N2CCC[C@H]([NH+]3CCN(c4[nH]cc[nH+]4)CC3)C2=O)cc1 ZINC000618903281 555692823 /nfs/dbraw/zinc/69/28/23/555692823.db2.gz RRQPXWNEGSMNRR-KRWDZBQOSA-N 2 2 350.426 1.599 20 30 FDEDLP C=C(CNC(=O)C[C@@H](C)n1cc[nH+]c1)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000620748788 555979014 /nfs/dbraw/zinc/97/90/14/555979014.db2.gz YUWGXHZSLJDZKV-IYBDPMFKSA-N 2 2 358.446 1.471 20 30 FDEDLP Cc1cc(Br)cn2cc(CCNC(=[NH2+])N3CCOCC3)[nH+]c12 ZINC000273552750 674547592 /nfs/dbraw/zinc/54/75/92/674547592.db2.gz ZAQOCFVYQBKTKA-UHFFFAOYSA-N 2 2 366.263 1.595 20 30 FDEDLP CC[NH+](CC)[C@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccsc1 ZINC000104166795 671594689 /nfs/dbraw/zinc/59/46/89/671594689.db2.gz AXZPZRSERVGCTR-QGZVFWFLSA-N 2 2 367.563 1.628 20 30 FDEDLP CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000130860545 671798303 /nfs/dbraw/zinc/79/83/03/671798303.db2.gz DVLRPRFXWZUUQP-JKSUJKDBSA-N 2 2 366.531 1.628 20 30 FDEDLP CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000130860545 671798307 /nfs/dbraw/zinc/79/83/07/671798307.db2.gz DVLRPRFXWZUUQP-JKSUJKDBSA-N 2 2 366.531 1.628 20 30 FDEDLP CC[NH+]=C(NCC[NH+]1CCCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261954197 672700996 /nfs/dbraw/zinc/70/09/96/672700996.db2.gz IFSOJXVDYBBRLV-UHFFFAOYSA-N 2 2 358.552 1.337 20 30 FDEDLP C[NH+]=C(NC[C@H]1CCCO1)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000262379421 672779806 /nfs/dbraw/zinc/77/98/06/672779806.db2.gz KDUHLUVERMMOBN-QGZVFWFLSA-N 3 2 351.539 1.281 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266888 678501079 /nfs/dbraw/zinc/50/10/79/678501079.db2.gz MWZIPZZOTWQTAK-KRWDZBQOSA-N 3 2 350.551 1.805 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266888 678501086 /nfs/dbraw/zinc/50/10/86/678501086.db2.gz MWZIPZZOTWQTAK-KRWDZBQOSA-N 3 2 350.551 1.805 20 30 FDEDLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969956788 771124956 /nfs/dbraw/zinc/12/49/56/771124956.db2.gz ABWMEAISNZTOAU-MBOZVWFJSA-N 2 2 355.482 1.194 20 30 FDEDLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969956788 771124957 /nfs/dbraw/zinc/12/49/57/771124957.db2.gz ABWMEAISNZTOAU-MBOZVWFJSA-N 2 2 355.482 1.194 20 30 FDEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083194032 771235966 /nfs/dbraw/zinc/23/59/66/771235966.db2.gz SBMVCNWPRPVUGN-VQTJNVASSA-N 2 2 355.482 1.339 20 30 FDEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083194032 771235970 /nfs/dbraw/zinc/23/59/70/771235970.db2.gz SBMVCNWPRPVUGN-VQTJNVASSA-N 2 2 355.482 1.339 20 30 FDEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376798140 790740458 /nfs/dbraw/zinc/74/04/58/790740458.db2.gz DAEDOJJTRHBKBC-SFHVURJKSA-N 2 2 361.534 1.429 20 30 FDEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376798140 790740470 /nfs/dbraw/zinc/74/04/70/790740470.db2.gz DAEDOJJTRHBKBC-SFHVURJKSA-N 2 2 361.534 1.429 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000375900275 785261185 /nfs/dbraw/zinc/26/11/85/785261185.db2.gz GFQDYJGIPMHYRS-PXNSSMCTSA-N 2 2 369.513 1.986 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000375900275 785261191 /nfs/dbraw/zinc/26/11/91/785261191.db2.gz GFQDYJGIPMHYRS-PXNSSMCTSA-N 2 2 369.513 1.986 20 30 FDEDLP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021660 789667871 /nfs/dbraw/zinc/66/78/71/789667871.db2.gz ZMIWPDBNTZBZID-UNMCSNQZSA-N 2 2 369.509 1.739 20 30 FDEDLP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021660 789667881 /nfs/dbraw/zinc/66/78/81/789667881.db2.gz ZMIWPDBNTZBZID-UNMCSNQZSA-N 2 2 369.509 1.739 20 30 FDEDLP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001112021660 789667884 /nfs/dbraw/zinc/66/78/84/789667884.db2.gz ZMIWPDBNTZBZID-UNMCSNQZSA-N 2 2 369.509 1.739 20 30 FDEDLP C=CC[C@@]1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662700211 806971654 /nfs/dbraw/zinc/97/16/54/806971654.db2.gz UUJOSWDCWWRFFI-NRFANRHFSA-N 2 2 373.497 1.712 20 30 FDEDLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000332923475 809946337 /nfs/dbraw/zinc/94/63/37/809946337.db2.gz GAABRIMPJQEDTI-LPHOPBHVSA-N 2 2 355.486 1.868 20 30 FDEDLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000332923475 809946343 /nfs/dbraw/zinc/94/63/43/809946343.db2.gz GAABRIMPJQEDTI-LPHOPBHVSA-N 2 2 355.486 1.868 20 30 FDEDLP C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261946102 811349874 /nfs/dbraw/zinc/34/98/74/811349874.db2.gz FZOVZHPENSMMNH-IRXDYDNUSA-N 2 2 374.533 1.990 20 30 FDEDLP Cc1cc(N2CCC(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)nc(C)[nH+]1 ZINC000328996848 819607704 /nfs/dbraw/zinc/60/77/04/819607704.db2.gz GROADSBWDDCKOO-AWEZNQCLSA-N 2 2 361.490 1.987 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087529217 820603031 /nfs/dbraw/zinc/60/30/31/820603031.db2.gz VPZZWQJMTQPBHC-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087529217 820603039 /nfs/dbraw/zinc/60/30/39/820603039.db2.gz VPZZWQJMTQPBHC-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087529217 820603045 /nfs/dbraw/zinc/60/30/45/820603045.db2.gz VPZZWQJMTQPBHC-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087529217 820603051 /nfs/dbraw/zinc/60/30/51/820603051.db2.gz VPZZWQJMTQPBHC-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001087847347 822582520 /nfs/dbraw/zinc/58/25/20/822582520.db2.gz IFXIJPWSCRATEP-RBUKOAKNSA-N 2 2 367.453 1.955 20 30 FDEDLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CCC(=O)N1C1CC1 ZINC000329343862 824748000 /nfs/dbraw/zinc/74/80/00/824748000.db2.gz QICVAPBUJDLOQB-IIDMSEBBSA-N 2 2 374.489 1.165 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994208 825003381 /nfs/dbraw/zinc/00/33/81/825003381.db2.gz WXTMNEORZQLPKA-IKGGRYGDSA-N 2 2 365.909 1.346 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994208 825003384 /nfs/dbraw/zinc/00/33/84/825003384.db2.gz WXTMNEORZQLPKA-IKGGRYGDSA-N 2 2 365.909 1.346 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000330267900 825782886 /nfs/dbraw/zinc/78/28/86/825782886.db2.gz IIVOXOYNFJQIPW-TWMKSMIVSA-N 2 2 361.490 1.686 20 30 FDEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330331995 825938232 /nfs/dbraw/zinc/93/82/32/825938232.db2.gz XSKPFSOWMSSUSZ-OIISXLGYSA-N 2 2 361.490 1.881 20 30 FDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088126729 826531808 /nfs/dbraw/zinc/53/18/08/826531808.db2.gz UATVGLSSZUWHAS-MOPGFXCFSA-N 2 2 361.530 1.988 20 30 FDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088126729 826531817 /nfs/dbraw/zinc/53/18/17/826531817.db2.gz UATVGLSSZUWHAS-MOPGFXCFSA-N 2 2 361.530 1.988 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088211264 827490010 /nfs/dbraw/zinc/49/00/10/827490010.db2.gz ZLIDRTRFNHUIEO-AEFFLSMTSA-N 2 2 357.523 1.910 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088211264 827490011 /nfs/dbraw/zinc/49/00/11/827490011.db2.gz ZLIDRTRFNHUIEO-AEFFLSMTSA-N 2 2 357.523 1.910 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088211264 827490013 /nfs/dbraw/zinc/49/00/13/827490013.db2.gz ZLIDRTRFNHUIEO-AEFFLSMTSA-N 2 2 357.523 1.910 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088211264 827490016 /nfs/dbraw/zinc/49/00/16/827490016.db2.gz ZLIDRTRFNHUIEO-AEFFLSMTSA-N 2 2 357.523 1.910 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571810 834849600 /nfs/dbraw/zinc/84/96/00/834849600.db2.gz OGEQWMYFNITYKI-YUELXQCFSA-N 2 2 356.308 1.816 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571810 834849606 /nfs/dbraw/zinc/84/96/06/834849606.db2.gz OGEQWMYFNITYKI-YUELXQCFSA-N 2 2 356.308 1.816 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2scnc2C)[C@@H]1C ZINC001088631378 838604132 /nfs/dbraw/zinc/60/41/32/838604132.db2.gz IELPYWRJADYULY-IKGGRYGDSA-N 2 2 360.527 1.671 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2scnc2C)[C@@H]1C ZINC001088631378 838604138 /nfs/dbraw/zinc/60/41/38/838604138.db2.gz IELPYWRJADYULY-IKGGRYGDSA-N 2 2 360.527 1.671 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2scnc2C)[C@@H]1C ZINC001088631378 838604141 /nfs/dbraw/zinc/60/41/41/838604141.db2.gz IELPYWRJADYULY-IKGGRYGDSA-N 2 2 360.527 1.671 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2scnc2C)[C@@H]1C ZINC001088631378 838604146 /nfs/dbraw/zinc/60/41/46/838604146.db2.gz IELPYWRJADYULY-IKGGRYGDSA-N 2 2 360.527 1.671 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088750303 842899521 /nfs/dbraw/zinc/89/95/21/842899521.db2.gz GGEDNDPKCOGRKB-KDOFPFPSSA-N 2 2 355.417 1.982 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088750303 842899529 /nfs/dbraw/zinc/89/95/29/842899529.db2.gz GGEDNDPKCOGRKB-KDOFPFPSSA-N 2 2 355.417 1.982 20 30 FDEDLP CC[NH+]1CCN(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000462027576 843297241 /nfs/dbraw/zinc/29/72/41/843297241.db2.gz AGKNCWWNQYBJFY-UHFFFAOYSA-N 2 2 369.513 1.230 20 30 FDEDLP CC[NH+]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000462027576 843297250 /nfs/dbraw/zinc/29/72/50/843297250.db2.gz AGKNCWWNQYBJFY-UHFFFAOYSA-N 2 2 369.513 1.230 20 30 FDEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083505260 844934510 /nfs/dbraw/zinc/93/45/10/844934510.db2.gz GEKLFZQAWBWCQR-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083505260 844934515 /nfs/dbraw/zinc/93/45/15/844934515.db2.gz GEKLFZQAWBWCQR-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083505260 844934517 /nfs/dbraw/zinc/93/45/17/844934517.db2.gz GEKLFZQAWBWCQR-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083505260 844934521 /nfs/dbraw/zinc/93/45/21/844934521.db2.gz GEKLFZQAWBWCQR-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(CC)c2)C[C@@H]1O ZINC001083535455 846904012 /nfs/dbraw/zinc/90/40/12/846904012.db2.gz RRAPSYOAOJSRFF-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(CC)c2)C[C@@H]1O ZINC001083535455 846904016 /nfs/dbraw/zinc/90/40/16/846904016.db2.gz RRAPSYOAOJSRFF-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(CC)c2)C[C@@H]1O ZINC001083535455 846904027 /nfs/dbraw/zinc/90/40/27/846904027.db2.gz RRAPSYOAOJSRFF-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(CC)c2)C[C@@H]1O ZINC001083535455 846904030 /nfs/dbraw/zinc/90/40/30/846904030.db2.gz RRAPSYOAOJSRFF-AABGKKOBSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@@H]1O ZINC001083535210 846913576 /nfs/dbraw/zinc/91/35/76/846913576.db2.gz GJYCVVISNUHTHU-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)cccc2C)C[C@@H]1O ZINC001083535210 846913577 /nfs/dbraw/zinc/91/35/77/846913577.db2.gz GJYCVVISNUHTHU-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)cccc2C)C[C@@H]1O ZINC001083535210 846913585 /nfs/dbraw/zinc/91/35/85/846913585.db2.gz GJYCVVISNUHTHU-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365528 847964543 /nfs/dbraw/zinc/96/45/43/847964543.db2.gz BUUBWUYNYTYKLV-VQTJNVASSA-N 2 2 368.481 1.313 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365528 847964547 /nfs/dbraw/zinc/96/45/47/847964547.db2.gz BUUBWUYNYTYKLV-VQTJNVASSA-N 2 2 368.481 1.313 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)CC[N@@H+]1C ZINC001077026874 849575169 /nfs/dbraw/zinc/57/51/69/849575169.db2.gz OTGINFKAYKHOHY-YLFCFFPRSA-N 2 2 362.499 1.011 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)CC[N@H+]1C ZINC001077026874 849575174 /nfs/dbraw/zinc/57/51/74/849575174.db2.gz OTGINFKAYKHOHY-YLFCFFPRSA-N 2 2 362.499 1.011 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CC[NH+]1C ZINC001077026874 849575175 /nfs/dbraw/zinc/57/51/75/849575175.db2.gz OTGINFKAYKHOHY-YLFCFFPRSA-N 2 2 362.499 1.011 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CC[NH+]1C ZINC001077026874 849575180 /nfs/dbraw/zinc/57/51/80/849575180.db2.gz OTGINFKAYKHOHY-YLFCFFPRSA-N 2 2 362.499 1.011 20 30 FDEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000486020341 853379683 /nfs/dbraw/zinc/37/96/83/853379683.db2.gz RBTXZAGPJMHMNU-QGZVFWFLSA-N 2 2 359.470 1.656 20 30 FDEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000486020341 853379686 /nfs/dbraw/zinc/37/96/86/853379686.db2.gz RBTXZAGPJMHMNU-QGZVFWFLSA-N 2 2 359.470 1.656 20 30 FDEDLP C=CCc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc(OC)c1O ZINC000486018208 853400402 /nfs/dbraw/zinc/40/04/02/853400402.db2.gz MHVUACGPEIMKCX-KRWDZBQOSA-N 2 2 359.470 1.526 20 30 FDEDLP C=CCc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc(OC)c1O ZINC000486018208 853400408 /nfs/dbraw/zinc/40/04/08/853400408.db2.gz MHVUACGPEIMKCX-KRWDZBQOSA-N 2 2 359.470 1.526 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)O1 ZINC001003137335 872662075 /nfs/dbraw/zinc/66/20/75/872662075.db2.gz IWEQGAMNLKALIY-YLJYHZDGSA-N 2 2 355.482 1.338 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)O1 ZINC001003137335 872662086 /nfs/dbraw/zinc/66/20/86/872662086.db2.gz IWEQGAMNLKALIY-YLJYHZDGSA-N 2 2 355.482 1.338 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342878 874849658 /nfs/dbraw/zinc/84/96/58/874849658.db2.gz HKSJLNSQVHDCFL-DJIMGWMZSA-N 2 2 360.502 1.710 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342878 874849671 /nfs/dbraw/zinc/84/96/71/874849671.db2.gz HKSJLNSQVHDCFL-DJIMGWMZSA-N 2 2 360.502 1.710 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001099279661 878222098 /nfs/dbraw/zinc/22/20/98/878222098.db2.gz QCFQDIMYWXUGKU-VXGBXAGGSA-N 2 2 350.772 1.923 20 30 FDEDLP Cc1cc(C=N[S@](=O)C(C)(C)C)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168735979 879556011 /nfs/dbraw/zinc/55/60/11/879556011.db2.gz JGDPAFVJUNHFIZ-KWSQCTBMSA-N 2 2 364.519 1.865 20 30 FDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034324301 884195310 /nfs/dbraw/zinc/19/53/10/884195310.db2.gz UGLSGWHJAWUGRL-KURKYZTESA-N 2 2 351.491 1.023 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001129084511 885710321 /nfs/dbraw/zinc/71/03/21/885710321.db2.gz MPDVVDPEBAHQBT-BBWFWOEESA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001129084511 885710331 /nfs/dbraw/zinc/71/03/31/885710331.db2.gz MPDVVDPEBAHQBT-BBWFWOEESA-N 2 2 369.473 1.045 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccn(CCC#N)n3)CC2)CC1 ZINC000330143362 887593580 /nfs/dbraw/zinc/59/35/80/887593580.db2.gz YUXWCDUXROKJGV-UHFFFAOYSA-N 2 2 359.478 1.681 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC001084417762 914373494 /nfs/dbraw/zinc/37/34/94/914373494.db2.gz CNTVBYMAMVCLMW-YZGWKJHDSA-N 2 2 355.457 1.956 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC001084417762 914373522 /nfs/dbraw/zinc/37/35/22/914373522.db2.gz CNTVBYMAMVCLMW-YZGWKJHDSA-N 2 2 355.457 1.956 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(F)cc3)C[C@H]21 ZINC001084417762 914373531 /nfs/dbraw/zinc/37/35/31/914373531.db2.gz CNTVBYMAMVCLMW-YZGWKJHDSA-N 2 2 355.457 1.956 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(F)cc3)C[C@H]21 ZINC001084417762 914373548 /nfs/dbraw/zinc/37/35/48/914373548.db2.gz CNTVBYMAMVCLMW-YZGWKJHDSA-N 2 2 355.457 1.956 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOc3ccccc3)C[C@H]21 ZINC001084418126 914381785 /nfs/dbraw/zinc/38/17/85/914381785.db2.gz WQVWDRJOWIQSEQ-HLAWJBBLSA-N 2 2 367.493 1.696 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOc3ccccc3)C[C@H]21 ZINC001084418126 914381801 /nfs/dbraw/zinc/38/18/01/914381801.db2.gz WQVWDRJOWIQSEQ-HLAWJBBLSA-N 2 2 367.493 1.696 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCOc3ccccc3)C[C@H]21 ZINC001084418126 914381807 /nfs/dbraw/zinc/38/18/07/914381807.db2.gz WQVWDRJOWIQSEQ-HLAWJBBLSA-N 2 2 367.493 1.696 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCOc3ccccc3)C[C@H]21 ZINC001084418126 914381818 /nfs/dbraw/zinc/38/18/18/914381818.db2.gz WQVWDRJOWIQSEQ-HLAWJBBLSA-N 2 2 367.493 1.696 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079138118 902018230 /nfs/dbraw/zinc/01/82/30/902018230.db2.gz OTABNLFCUIZXPP-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079138118 902018236 /nfs/dbraw/zinc/01/82/36/902018236.db2.gz OTABNLFCUIZXPP-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001079138118 902018246 /nfs/dbraw/zinc/01/82/46/902018246.db2.gz OTABNLFCUIZXPP-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079138118 902018257 /nfs/dbraw/zinc/01/82/57/902018257.db2.gz OTABNLFCUIZXPP-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079262065 902302422 /nfs/dbraw/zinc/30/24/22/902302422.db2.gz ZXOHSMDLBFAPKJ-VXIBKDFQSA-N 2 2 370.497 1.649 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001082549584 908491339 /nfs/dbraw/zinc/49/13/39/908491339.db2.gz LMQALOZMBCSDMP-RDTXWAMCSA-N 2 2 367.453 1.859 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC001082567998 908704978 /nfs/dbraw/zinc/70/49/78/908704978.db2.gz QSLNRAYQGWZCGO-LZQZEXGQSA-N 2 2 370.497 1.588 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC001082567998 908704984 /nfs/dbraw/zinc/70/49/84/908704984.db2.gz QSLNRAYQGWZCGO-LZQZEXGQSA-N 2 2 370.497 1.588 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082604676 908928294 /nfs/dbraw/zinc/92/82/94/908928294.db2.gz XNIZQXQQBUFXCU-XFQXTVEOSA-N 2 2 363.465 1.954 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001082861292 910454761 /nfs/dbraw/zinc/45/47/61/910454761.db2.gz VEXHJFWUBXAVIA-RDTXWAMCSA-N 2 2 367.453 1.480 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nnc(C)o3)C2)CC1 ZINC001082941129 911015631 /nfs/dbraw/zinc/01/56/31/911015631.db2.gz RKXUDXODDKWQMD-CKEIUWERSA-N 2 2 359.474 1.221 20 30 FDEDLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084832624 917532689 /nfs/dbraw/zinc/53/26/89/917532689.db2.gz PMVLGYWSPSUZGS-UYAOXDASSA-N 2 2 355.457 1.806 20 30 FDEDLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084832624 917532700 /nfs/dbraw/zinc/53/27/00/917532700.db2.gz PMVLGYWSPSUZGS-UYAOXDASSA-N 2 2 355.457 1.806 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084833165 917554744 /nfs/dbraw/zinc/55/47/44/917554744.db2.gz QXWXSPBFYZKDJG-IEBWSBKVSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084833165 917554754 /nfs/dbraw/zinc/55/47/54/917554754.db2.gz QXWXSPBFYZKDJG-IEBWSBKVSA-N 2 2 367.428 1.935 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084844650 917646247 /nfs/dbraw/zinc/64/62/47/917646247.db2.gz BVGSFMLWTOJVNP-AQNXPRMDSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084844650 917646251 /nfs/dbraw/zinc/64/62/51/917646251.db2.gz BVGSFMLWTOJVNP-AQNXPRMDSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084844650 917646259 /nfs/dbraw/zinc/64/62/59/917646259.db2.gz BVGSFMLWTOJVNP-AQNXPRMDSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084844650 917646267 /nfs/dbraw/zinc/64/62/67/917646267.db2.gz BVGSFMLWTOJVNP-AQNXPRMDSA-N 2 2 368.481 1.312 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4nc(C)oc4C)C[C@H]32)CC1 ZINC001084851266 917660742 /nfs/dbraw/zinc/66/07/42/917660742.db2.gz UXGUHVKQVDCQEN-UYAOXDASSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4nc(C)oc4C)C[C@H]32)CC1 ZINC001084851266 917660746 /nfs/dbraw/zinc/66/07/46/917660746.db2.gz UXGUHVKQVDCQEN-UYAOXDASSA-N 2 2 370.497 1.669 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]32)C1=O ZINC001084931077 918466117 /nfs/dbraw/zinc/46/61/17/918466117.db2.gz ZMSIXMREEKNATP-ULQDDVLXSA-N 2 2 371.485 1.052 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]32)C1=O ZINC001084931077 918466122 /nfs/dbraw/zinc/46/61/22/918466122.db2.gz ZMSIXMREEKNATP-ULQDDVLXSA-N 2 2 371.485 1.052 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ccns3)[C@H]2C1 ZINC001084961001 918906349 /nfs/dbraw/zinc/90/63/49/918906349.db2.gz FCQOEKQAWXFNHL-NJAFHUGGSA-N 2 2 358.511 1.664 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ccns3)[C@H]2C1 ZINC001084961001 918906351 /nfs/dbraw/zinc/90/63/51/918906351.db2.gz FCQOEKQAWXFNHL-NJAFHUGGSA-N 2 2 358.511 1.664 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccns3)[C@H]2C1 ZINC001084961001 918906355 /nfs/dbraw/zinc/90/63/55/918906355.db2.gz FCQOEKQAWXFNHL-NJAFHUGGSA-N 2 2 358.511 1.664 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccns3)[C@H]2C1 ZINC001084961001 918906361 /nfs/dbraw/zinc/90/63/61/918906361.db2.gz FCQOEKQAWXFNHL-NJAFHUGGSA-N 2 2 358.511 1.664 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnccc3C)[C@H]2C1 ZINC001084961265 918907873 /nfs/dbraw/zinc/90/78/73/918907873.db2.gz WYUIZFNCIQAVFM-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cnccc3C)[C@H]2C1 ZINC001084961265 918907878 /nfs/dbraw/zinc/90/78/78/918907878.db2.gz WYUIZFNCIQAVFM-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnccc3C)[C@H]2C1 ZINC001084961265 918907886 /nfs/dbraw/zinc/90/78/86/918907886.db2.gz WYUIZFNCIQAVFM-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnccc3C)[C@H]2C1 ZINC001084961265 918907891 /nfs/dbraw/zinc/90/78/91/918907891.db2.gz WYUIZFNCIQAVFM-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001112582564 931750929 /nfs/dbraw/zinc/75/09/29/931750929.db2.gz CVZBXZBQZUVNEM-ZJOUEHCJSA-N 2 2 361.530 1.892 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590291 931835338 /nfs/dbraw/zinc/83/53/38/931835338.db2.gz NHRKHTJFALVPIL-ICSRJNTNSA-N 2 2 358.486 1.531 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130107409 938687128 /nfs/dbraw/zinc/68/71/28/938687128.db2.gz PAHBFZLWBCTZPS-MSOLQXFVSA-N 2 2 371.489 1.640 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130712635 939999129 /nfs/dbraw/zinc/99/91/29/939999129.db2.gz DZSNFQWSNYHWAK-GOEBONIOSA-N 2 2 356.474 1.581 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130712753 939999518 /nfs/dbraw/zinc/99/95/18/939999518.db2.gz KGAOQWVIMAJUOX-HHXXYDBFSA-N 2 2 370.501 1.635 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130721840 940026099 /nfs/dbraw/zinc/02/60/99/940026099.db2.gz RUKYRRDFTPPWPX-PKOBYXMFSA-N 2 2 370.501 1.637 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000810429916 940989707 /nfs/dbraw/zinc/98/97/07/940989707.db2.gz UKDXPTXEBVUWPR-SFHVURJKSA-N 2 2 373.501 1.087 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000810429916 940989711 /nfs/dbraw/zinc/98/97/11/940989711.db2.gz UKDXPTXEBVUWPR-SFHVURJKSA-N 2 2 373.501 1.087 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001086720709 941619433 /nfs/dbraw/zinc/61/94/33/941619433.db2.gz JUAXZRXJWSOZJY-JZXOWHBKSA-N 2 2 358.486 1.709 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001086720709 941619437 /nfs/dbraw/zinc/61/94/37/941619437.db2.gz JUAXZRXJWSOZJY-JZXOWHBKSA-N 2 2 358.486 1.709 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000818612218 943301097 /nfs/dbraw/zinc/30/10/97/943301097.db2.gz OELLJMQTSMNUEH-UHFFFAOYSA-N 2 2 367.453 1.597 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000818612218 943301101 /nfs/dbraw/zinc/30/11/01/943301101.db2.gz OELLJMQTSMNUEH-UHFFFAOYSA-N 2 2 367.453 1.597 20 30 FDEDLP C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847022257 951776164 /nfs/dbraw/zinc/77/61/64/951776164.db2.gz SUHALVKICSLCOP-RTBURBONSA-N 2 2 369.509 1.869 20 30 FDEDLP C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847022257 951776170 /nfs/dbraw/zinc/77/61/70/951776170.db2.gz SUHALVKICSLCOP-RTBURBONSA-N 2 2 369.509 1.869 20 30 FDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@]2(C)C1 ZINC001091679074 952611094 /nfs/dbraw/zinc/61/10/94/952611094.db2.gz ZXQPQMQMHYXVHU-YXTQBTIXSA-N 2 2 366.509 1.958 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@]2(C)C1 ZINC001091679074 952611097 /nfs/dbraw/zinc/61/10/97/952611097.db2.gz ZXQPQMQMHYXVHU-YXTQBTIXSA-N 2 2 366.509 1.958 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001086997430 953040052 /nfs/dbraw/zinc/04/00/52/953040052.db2.gz GLSCZQHQKHOECX-WCXIOVBPSA-N 2 2 354.458 1.027 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883721 953521173 /nfs/dbraw/zinc/52/11/73/953521173.db2.gz TWKPDAWXZUAIKI-DYXWJJEUSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883721 953521181 /nfs/dbraw/zinc/52/11/81/953521181.db2.gz TWKPDAWXZUAIKI-DYXWJJEUSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883721 953521184 /nfs/dbraw/zinc/52/11/84/953521184.db2.gz TWKPDAWXZUAIKI-DYXWJJEUSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883721 953521191 /nfs/dbraw/zinc/52/11/91/953521191.db2.gz TWKPDAWXZUAIKI-DYXWJJEUSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161371 961107929 /nfs/dbraw/zinc/10/79/29/961107929.db2.gz CINKZOUHDKFRHC-DFEOGRTESA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161371 961107939 /nfs/dbraw/zinc/10/79/39/961107939.db2.gz CINKZOUHDKFRHC-DFEOGRTESA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCN(CC=C)CC[NH+]1CCN(C2CC[NH+](CCCOC)CC2)CC1 ZINC001172253761 961602970 /nfs/dbraw/zinc/60/29/70/961602970.db2.gz AUNGTPCPAZHUQY-UHFFFAOYSA-N 2 2 364.578 1.779 20 30 FDEDLP C[C@@H](CCCC#N)[N@H+]1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001172498472 961687557 /nfs/dbraw/zinc/68/75/57/961687557.db2.gz LJOLLAXCWOOZRH-HNNXBMFYSA-N 2 2 369.473 1.487 20 30 FDEDLP C[C@@H](CCCC#N)[N@@H+]1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001172498472 961687563 /nfs/dbraw/zinc/68/75/63/961687563.db2.gz LJOLLAXCWOOZRH-HNNXBMFYSA-N 2 2 369.473 1.487 20 30 FDEDLP C=CCOC1CCC([N@@H+]2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001173320663 962001414 /nfs/dbraw/zinc/00/14/14/962001414.db2.gz CBFZWLAEWNFCKF-UHFFFAOYSA-N 2 2 373.545 1.960 20 30 FDEDLP C=CCOC1CCC([N@H+]2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001173320663 962001434 /nfs/dbraw/zinc/00/14/34/962001434.db2.gz CBFZWLAEWNFCKF-UHFFFAOYSA-N 2 2 373.545 1.960 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001095241228 962525890 /nfs/dbraw/zinc/52/58/90/962525890.db2.gz XRSACBJEGRXJQU-YDZRNGNQSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001095241228 962525902 /nfs/dbraw/zinc/52/59/02/962525902.db2.gz XRSACBJEGRXJQU-YDZRNGNQSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001095241228 962525919 /nfs/dbraw/zinc/52/59/19/962525919.db2.gz XRSACBJEGRXJQU-YDZRNGNQSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001095241228 962525932 /nfs/dbraw/zinc/52/59/32/962525932.db2.gz XRSACBJEGRXJQU-YDZRNGNQSA-N 2 2 368.481 1.883 20 30 FDEDLP C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001177529110 963867191 /nfs/dbraw/zinc/86/71/91/963867191.db2.gz FVURIMWAQFVOGG-UYAOXDASSA-N 2 2 369.509 1.425 20 30 FDEDLP C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001177529110 963867196 /nfs/dbraw/zinc/86/71/96/963867196.db2.gz FVURIMWAQFVOGG-UYAOXDASSA-N 2 2 369.509 1.425 20 30 FDEDLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852865593 967670644 /nfs/dbraw/zinc/67/06/44/967670644.db2.gz IWVMODRVSIJIAB-IBGZPJMESA-N 2 2 369.509 1.739 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(F)F ZINC001110679087 968667523 /nfs/dbraw/zinc/66/75/23/968667523.db2.gz NSYNMVYIRIUYBU-WCVJEAGWSA-N 2 2 355.429 1.087 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC(F)F ZINC001110679087 968667530 /nfs/dbraw/zinc/66/75/30/968667530.db2.gz NSYNMVYIRIUYBU-WCVJEAGWSA-N 2 2 355.429 1.087 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCC(F)F ZINC001110679087 968667535 /nfs/dbraw/zinc/66/75/35/968667535.db2.gz NSYNMVYIRIUYBU-WCVJEAGWSA-N 2 2 355.429 1.087 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCC(F)F ZINC001110679087 968667539 /nfs/dbraw/zinc/66/75/39/968667539.db2.gz NSYNMVYIRIUYBU-WCVJEAGWSA-N 2 2 355.429 1.087 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000866665979 975887789 /nfs/dbraw/zinc/88/77/89/975887789.db2.gz JRLWOXCHHRKZOB-QYZOEREBSA-N 2 2 357.454 1.991 20 30 FDEDLP C=CCC1(O)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000884163544 982940002 /nfs/dbraw/zinc/94/00/02/982940002.db2.gz JJUJAMRKWWZIKM-MRXNPFEDSA-N 2 2 350.507 1.268 20 30 FDEDLP C=CCC1(O)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000884163544 982940004 /nfs/dbraw/zinc/94/00/04/982940004.db2.gz JJUJAMRKWWZIKM-MRXNPFEDSA-N 2 2 350.507 1.268 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCC[NH+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193244 988939947 /nfs/dbraw/zinc/93/99/47/988939947.db2.gz FURQGWUQHGJCJT-QYZOEREBSA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCC[NH+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193244 988939949 /nfs/dbraw/zinc/93/99/49/988939949.db2.gz FURQGWUQHGJCJT-QYZOEREBSA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@H]([NH+](C)[C@@H]2CCC[N@@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193244 988939952 /nfs/dbraw/zinc/93/99/52/988939952.db2.gz FURQGWUQHGJCJT-QYZOEREBSA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@H]([NH+](C)[C@@H]2CCC[N@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193244 988939961 /nfs/dbraw/zinc/93/99/61/988939961.db2.gz FURQGWUQHGJCJT-QYZOEREBSA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN(C[C@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363512525 989259821 /nfs/dbraw/zinc/25/98/21/989259821.db2.gz VPAIHYWXIFFPGQ-LEWJYISDSA-N 2 2 359.514 1.442 20 30 FDEDLP C=CCN(C[C@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363512525 989259835 /nfs/dbraw/zinc/25/98/35/989259835.db2.gz VPAIHYWXIFFPGQ-LEWJYISDSA-N 2 2 359.514 1.442 20 30 FDEDLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CN1CCOCC1 ZINC000373184472 991985455 /nfs/dbraw/zinc/98/54/55/991985455.db2.gz DVAIVCUWISRBRK-OAQYLSRUSA-N 2 2 372.513 1.195 20 30 FDEDLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CN1CCOCC1 ZINC000373184471 991985659 /nfs/dbraw/zinc/98/56/59/991985659.db2.gz DVAIVCUWISRBRK-NRFANRHFSA-N 2 2 372.513 1.195 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000264399864 997496437 /nfs/dbraw/zinc/49/64/37/997496437.db2.gz MGNALMLQDFVZHA-UHFFFAOYSA-N 2 2 372.513 1.968 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000286853448 999952949 /nfs/dbraw/zinc/95/29/49/999952949.db2.gz ZCCJEMVEOBYVSB-HNNXBMFYSA-N 2 2 359.474 1.272 20 30 FDEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000929847391 1002515515 /nfs/dbraw/zinc/51/55/15/1002515515.db2.gz IHVOMWPKONRDHM-LJQANCHMSA-N 2 2 368.481 1.235 20 30 FDEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000929847391 1002515526 /nfs/dbraw/zinc/51/55/26/1002515526.db2.gz IHVOMWPKONRDHM-LJQANCHMSA-N 2 2 368.481 1.235 20 30 FDEDLP C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001110981741 1002772036 /nfs/dbraw/zinc/77/20/36/1002772036.db2.gz YZZSRZRETUPWHP-QRVBRYPASA-N 2 2 368.481 1.280 20 30 FDEDLP C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001110981741 1002772043 /nfs/dbraw/zinc/77/20/43/1002772043.db2.gz YZZSRZRETUPWHP-QRVBRYPASA-N 2 2 368.481 1.280 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101233 1005947591 /nfs/dbraw/zinc/94/75/91/1005947591.db2.gz QHBDJAWOSUQVNH-KURKYZTESA-N 2 2 358.486 1.768 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101233 1005947593 /nfs/dbraw/zinc/94/75/93/1005947593.db2.gz QHBDJAWOSUQVNH-KURKYZTESA-N 2 2 358.486 1.768 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000530230448 539915639 /nfs/dbraw/zinc/91/56/39/539915639.db2.gz GCPJOHAATPNICT-SFHVURJKSA-N 2 2 352.438 1.952 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000541836548 541277455 /nfs/dbraw/zinc/27/74/55/541277455.db2.gz VBZLJCIRUPFCST-UHFFFAOYSA-N 2 2 364.453 1.507 20 30 FDEDLP C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000373526928 261017705 /nfs/dbraw/zinc/01/77/05/261017705.db2.gz AOOQVEOTMSEWMO-QGZVFWFLSA-N 2 2 369.513 1.275 20 30 FDEDLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000373526928 261017706 /nfs/dbraw/zinc/01/77/06/261017706.db2.gz AOOQVEOTMSEWMO-QGZVFWFLSA-N 2 2 369.513 1.275 20 30 FDEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000069025737 521784242 /nfs/dbraw/zinc/78/42/42/521784242.db2.gz NDZYMNOIGDGTTP-UHFFFAOYSA-N 2 2 357.502 1.679 20 30 FDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000174722932 524707811 /nfs/dbraw/zinc/70/78/11/524707811.db2.gz WHWDLZFHKXUKFU-UHFFFAOYSA-N 2 2 363.893 1.719 20 30 FDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000174722932 524707820 /nfs/dbraw/zinc/70/78/20/524707820.db2.gz WHWDLZFHKXUKFU-UHFFFAOYSA-N 2 2 363.893 1.719 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000091553725 524724029 /nfs/dbraw/zinc/72/40/29/524724029.db2.gz UPHGDUOZUGMLDV-IBGZPJMESA-N 2 2 363.550 1.483 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000091553725 524724035 /nfs/dbraw/zinc/72/40/35/524724035.db2.gz UPHGDUOZUGMLDV-IBGZPJMESA-N 2 2 363.550 1.483 20 30 FDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123555208 524776117 /nfs/dbraw/zinc/77/61/17/524776117.db2.gz UXPDJSVWUKNCQK-QGZVFWFLSA-N 2 2 354.458 1.238 20 30 FDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123555208 524776134 /nfs/dbraw/zinc/77/61/34/524776134.db2.gz UXPDJSVWUKNCQK-QGZVFWFLSA-N 2 2 354.458 1.238 20 30 FDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000123662563 524802131 /nfs/dbraw/zinc/80/21/31/524802131.db2.gz SRPKMDMSJJFPFS-ROUUACIJSA-N 2 2 354.454 1.986 20 30 FDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000123662563 524802136 /nfs/dbraw/zinc/80/21/36/524802136.db2.gz SRPKMDMSJJFPFS-ROUUACIJSA-N 2 2 354.454 1.986 20 30 FDEDLP CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821272 525004062 /nfs/dbraw/zinc/00/40/62/525004062.db2.gz NFRZKIBFUBKTKK-HXUWFJFHSA-N 2 2 369.513 1.775 20 30 FDEDLP CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821272 525004071 /nfs/dbraw/zinc/00/40/71/525004071.db2.gz NFRZKIBFUBKTKK-HXUWFJFHSA-N 2 2 369.513 1.775 20 30 FDEDLP C=CCCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000127309788 525408469 /nfs/dbraw/zinc/40/84/69/525408469.db2.gz DYAQVLOEMDFOBV-JWTNVVGKSA-N 2 2 350.507 1.532 20 30 FDEDLP C=CCCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000127309788 525408477 /nfs/dbraw/zinc/40/84/77/525408477.db2.gz DYAQVLOEMDFOBV-JWTNVVGKSA-N 2 2 350.507 1.532 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)CC1 ZINC000107371367 525880613 /nfs/dbraw/zinc/88/06/13/525880613.db2.gz GVILZXFPAPNYSH-HXUWFJFHSA-N 2 2 369.513 1.645 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)CC1 ZINC000107371367 525880620 /nfs/dbraw/zinc/88/06/20/525880620.db2.gz GVILZXFPAPNYSH-HXUWFJFHSA-N 2 2 369.513 1.645 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000171610688 526049007 /nfs/dbraw/zinc/04/90/07/526049007.db2.gz SBSNGSZHJVOFKZ-QGZVFWFLSA-N 2 2 370.497 1.954 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000171684225 526075855 /nfs/dbraw/zinc/07/58/55/526075855.db2.gz OIONBDIWENOBCJ-UHFFFAOYSA-N 2 2 373.501 1.756 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000171684225 526075865 /nfs/dbraw/zinc/07/58/65/526075865.db2.gz OIONBDIWENOBCJ-UHFFFAOYSA-N 2 2 373.501 1.756 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789412 526183961 /nfs/dbraw/zinc/18/39/61/526183961.db2.gz LYRLWLDPEAVPCJ-UHFFFAOYSA-N 2 2 364.534 1.287 20 30 FDEDLP C#CCOc1ccccc1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000268524645 537014448 /nfs/dbraw/zinc/01/44/48/537014448.db2.gz GRCZVPHEMCKSMC-UHFFFAOYSA-N 2 2 351.454 1.530 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000298711339 537281696 /nfs/dbraw/zinc/28/16/96/537281696.db2.gz HQRRGCPTPSWIIH-MRXNPFEDSA-N 2 2 356.470 1.929 20 30 FDEDLP C=CCN1CC[C@@H]([NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000286008660 537401112 /nfs/dbraw/zinc/40/11/12/537401112.db2.gz PGTUTZANQBPPCA-LEWJYISDSA-N 2 2 368.525 1.665 20 30 FDEDLP C=CCN1CC[C@@H]([NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000286008660 537401117 /nfs/dbraw/zinc/40/11/17/537401117.db2.gz PGTUTZANQBPPCA-LEWJYISDSA-N 2 2 368.525 1.665 20 30 FDEDLP C[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(=O)N1CCCCC1 ZINC000329164886 537634658 /nfs/dbraw/zinc/63/46/58/537634658.db2.gz HGGHUFIYIHBPFT-VPSFDDGASA-N 2 2 350.507 1.901 20 30 FDEDLP C[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(=O)N1CCCCC1 ZINC000329164886 537634662 /nfs/dbraw/zinc/63/46/62/537634662.db2.gz HGGHUFIYIHBPFT-VPSFDDGASA-N 2 2 350.507 1.901 20 30 FDEDLP C[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N1CCCCC1 ZINC000329164886 537634665 /nfs/dbraw/zinc/63/46/65/537634665.db2.gz HGGHUFIYIHBPFT-VPSFDDGASA-N 2 2 350.507 1.901 20 30 FDEDLP C[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)N1CCCCC1 ZINC000329164886 537634668 /nfs/dbraw/zinc/63/46/68/537634668.db2.gz HGGHUFIYIHBPFT-VPSFDDGASA-N 2 2 350.507 1.901 20 30 FDEDLP CCn1cc[nH+]c1[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000329165423 537634746 /nfs/dbraw/zinc/63/47/46/537634746.db2.gz HEKPUBCQQMCNBN-DOTOQJQBSA-N 2 2 363.506 1.963 20 30 FDEDLP CCN1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330003705 537648963 /nfs/dbraw/zinc/64/89/63/537648963.db2.gz ZYIQBSRWVJWNHJ-MRXNPFEDSA-N 2 2 371.489 1.778 20 30 FDEDLP C#CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000371757058 537829753 /nfs/dbraw/zinc/82/97/53/537829753.db2.gz JZHOESVJGOITOB-LJQANCHMSA-N 2 2 355.482 1.939 20 30 FDEDLP C#CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000371757058 537829763 /nfs/dbraw/zinc/82/97/63/537829763.db2.gz JZHOESVJGOITOB-LJQANCHMSA-N 2 2 355.482 1.939 20 30 FDEDLP C[N@@H+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000563545683 546582602 /nfs/dbraw/zinc/58/26/02/546582602.db2.gz RMYIFQAGLIOHJJ-HNNXBMFYSA-N 2 2 354.376 1.341 20 30 FDEDLP C[N@H+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000563545683 546582603 /nfs/dbraw/zinc/58/26/03/546582603.db2.gz RMYIFQAGLIOHJJ-HNNXBMFYSA-N 2 2 354.376 1.341 20 30 FDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000573860295 550222986 /nfs/dbraw/zinc/22/29/86/550222986.db2.gz QXSZLUMKTCSXOC-IBGZPJMESA-N 2 2 362.514 1.980 20 30 FDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000598721055 552928028 /nfs/dbraw/zinc/92/80/28/552928028.db2.gz QYEGDNOUMFOLLH-INIZCTEOSA-N 2 2 359.474 1.011 20 30 FDEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609157109 554344428 /nfs/dbraw/zinc/34/44/28/554344428.db2.gz UUBDURLTUQTZAY-GOSISDBHSA-N 2 2 369.469 1.301 20 30 FDEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609157109 554344430 /nfs/dbraw/zinc/34/44/30/554344430.db2.gz UUBDURLTUQTZAY-GOSISDBHSA-N 2 2 369.469 1.301 20 30 FDEDLP C[NH+]1CCC(CNC(=O)c2cc(O)cc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000616032770 555265250 /nfs/dbraw/zinc/26/52/50/555265250.db2.gz ZZGXIHMKTUSTNP-UHFFFAOYSA-N 2 2 356.470 1.944 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000619723934 555826786 /nfs/dbraw/zinc/82/67/86/555826786.db2.gz YRJUSOJXCVOTDQ-PMACEKPBSA-N 2 2 373.497 1.537 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000619723934 555826787 /nfs/dbraw/zinc/82/67/87/555826787.db2.gz YRJUSOJXCVOTDQ-PMACEKPBSA-N 2 2 373.497 1.537 20 30 FDEDLP CS(=O)(=O)NC1CC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000619846171 555843412 /nfs/dbraw/zinc/84/34/12/555843412.db2.gz UMWAIKCSJHLZMI-UHFFFAOYSA-N 2 2 362.499 1.192 20 30 FDEDLP C=C(CNC(=O)C[C@@H](C)n1cc[nH+]c1)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000620748787 555979033 /nfs/dbraw/zinc/97/90/33/555979033.db2.gz YUWGXHZSLJDZKV-HZPDHXFCSA-N 2 2 358.446 1.471 20 30 FDEDLP C[NH+]=C(NCCN1CCSCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261957293 672702076 /nfs/dbraw/zinc/70/20/76/672702076.db2.gz JDYJRUYELQVFDG-HOTGVXAUSA-N 2 2 350.536 1.390 20 30 FDEDLP C[NH+]=C(NCc1ccc(Cl)s1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261985118 672707014 /nfs/dbraw/zinc/70/70/14/672707014.db2.gz PVOOCYJGWYBGRR-UHFFFAOYSA-N 2 2 371.938 1.573 20 30 FDEDLP [NH2+]=C(NCC[NH+]1CCSCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262511712 672801282 /nfs/dbraw/zinc/80/12/82/672801282.db2.gz DFTIXLJPKAVNIJ-UHFFFAOYSA-N 2 2 367.950 1.826 20 30 FDEDLP C[NH+]=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262744039 672840091 /nfs/dbraw/zinc/84/00/91/672840091.db2.gz JINDHAMBZSRVLD-CYBMUJFWSA-N 2 2 362.371 1.840 20 30 FDEDLP C[NH+]=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262744039 672840095 /nfs/dbraw/zinc/84/00/95/672840095.db2.gz JINDHAMBZSRVLD-CYBMUJFWSA-N 2 2 362.371 1.840 20 30 FDEDLP CCC(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000303790334 676543100 /nfs/dbraw/zinc/54/31/00/676543100.db2.gz WBWJMVGDCKAXNH-MSOLQXFVSA-N 3 2 353.555 1.512 20 30 FDEDLP CCC(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000303790334 676543103 /nfs/dbraw/zinc/54/31/03/676543103.db2.gz WBWJMVGDCKAXNH-MSOLQXFVSA-N 3 2 353.555 1.512 20 30 FDEDLP C#CCNC(=O)C1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000360322993 676865324 /nfs/dbraw/zinc/86/53/24/676865324.db2.gz MPYSDMOJIVSEAY-UHFFFAOYSA-N 2 2 360.527 1.871 20 30 FDEDLP C#CCNC(=O)C1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000360322993 676865327 /nfs/dbraw/zinc/86/53/27/676865327.db2.gz MPYSDMOJIVSEAY-UHFFFAOYSA-N 2 2 360.527 1.871 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373872715 678067961 /nfs/dbraw/zinc/06/79/61/678067961.db2.gz SBFIHXCMHPLJGD-BQFCYCMXSA-N 2 2 350.507 1.435 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373872715 678067963 /nfs/dbraw/zinc/06/79/63/678067963.db2.gz SBFIHXCMHPLJGD-BQFCYCMXSA-N 2 2 350.507 1.435 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001020603592 770975921 /nfs/dbraw/zinc/97/59/21/770975921.db2.gz IMOOLWICDMIAQA-QBPKDAKJSA-N 2 2 367.428 1.971 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000970013495 771200745 /nfs/dbraw/zinc/20/07/45/771200745.db2.gz VJBNBRDDCCSSFZ-BRWVUGGUSA-N 2 2 367.428 1.925 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000418418081 795895138 /nfs/dbraw/zinc/89/51/38/795895138.db2.gz VWNBPICVESVRBG-OALUTQOASA-N 2 2 355.486 1.903 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000418418084 795895371 /nfs/dbraw/zinc/89/53/71/795895371.db2.gz VWNBPICVESVRBG-RTBURBONSA-N 2 2 355.486 1.903 20 30 FDEDLP C=CC[C@]1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000662734673 802970138 /nfs/dbraw/zinc/97/01/38/802970138.db2.gz RZWCXAWOLXNTRN-YLJYHZDGSA-N 2 2 357.502 1.407 20 30 FDEDLP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001087424047 805549592 /nfs/dbraw/zinc/54/95/92/805549592.db2.gz GSCQPMIDEMUGTB-VAMGGRTRSA-N 2 2 357.498 1.867 20 30 FDEDLP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001087424047 805549598 /nfs/dbraw/zinc/54/95/98/805549598.db2.gz GSCQPMIDEMUGTB-VAMGGRTRSA-N 2 2 357.498 1.867 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087424047 805549600 /nfs/dbraw/zinc/54/96/00/805549600.db2.gz GSCQPMIDEMUGTB-VAMGGRTRSA-N 2 2 357.498 1.867 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087424047 805549605 /nfs/dbraw/zinc/54/96/05/805549605.db2.gz GSCQPMIDEMUGTB-VAMGGRTRSA-N 2 2 357.498 1.867 20 30 FDEDLP C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262027177 811370045 /nfs/dbraw/zinc/37/00/45/811370045.db2.gz ZZTLGUZMPLEUCA-ZFWWWQNUSA-N 2 2 360.422 1.146 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CC[C@]2(CCOC2)C1 ZINC000261973045 817878173 /nfs/dbraw/zinc/87/81/73/817878173.db2.gz NFFUWALYJJASJO-IBGZPJMESA-N 2 2 354.458 1.764 20 30 FDEDLP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000328783918 819555934 /nfs/dbraw/zinc/55/59/34/819555934.db2.gz NRTUMOQPZVBKIZ-OALUTQOASA-N 2 2 360.502 1.875 20 30 FDEDLP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000328783918 819555943 /nfs/dbraw/zinc/55/59/43/819555943.db2.gz NRTUMOQPZVBKIZ-OALUTQOASA-N 2 2 360.502 1.875 20 30 FDEDLP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000328783918 819555948 /nfs/dbraw/zinc/55/59/48/819555948.db2.gz NRTUMOQPZVBKIZ-OALUTQOASA-N 2 2 360.502 1.875 20 30 FDEDLP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000328783918 819555957 /nfs/dbraw/zinc/55/59/57/819555957.db2.gz NRTUMOQPZVBKIZ-OALUTQOASA-N 2 2 360.502 1.875 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087529328 820604262 /nfs/dbraw/zinc/60/42/62/820604262.db2.gz BWEJCPYTZFRPIY-BBWFWOEESA-N 2 2 362.499 1.419 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087529328 820604268 /nfs/dbraw/zinc/60/42/68/820604268.db2.gz BWEJCPYTZFRPIY-BBWFWOEESA-N 2 2 362.499 1.419 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087529328 820604277 /nfs/dbraw/zinc/60/42/77/820604277.db2.gz BWEJCPYTZFRPIY-BBWFWOEESA-N 2 2 362.499 1.419 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087529328 820604282 /nfs/dbraw/zinc/60/42/82/820604282.db2.gz BWEJCPYTZFRPIY-BBWFWOEESA-N 2 2 362.499 1.419 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087836689 822546493 /nfs/dbraw/zinc/54/64/93/822546493.db2.gz DOUJOIPEEXURAJ-XUVXKRRUSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1ccccc1C#N ZINC001087836689 822546494 /nfs/dbraw/zinc/54/64/94/822546494.db2.gz DOUJOIPEEXURAJ-XUVXKRRUSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1ccccc1C#N ZINC001087836689 822546495 /nfs/dbraw/zinc/54/64/95/822546495.db2.gz DOUJOIPEEXURAJ-XUVXKRRUSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1ccccc1C#N ZINC001087836689 822546496 /nfs/dbraw/zinc/54/64/96/822546496.db2.gz DOUJOIPEEXURAJ-XUVXKRRUSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[NH+]1CCC(NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329308223 824725794 /nfs/dbraw/zinc/72/57/94/824725794.db2.gz ZNJOWYROSDTMMB-UHFFFAOYSA-N 2 2 374.489 1.279 20 30 FDEDLP COCC[C@H]1COCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329791843 825458872 /nfs/dbraw/zinc/45/88/72/825458872.db2.gz DZUPBEOARXGPTB-SFHVURJKSA-N 2 2 368.522 1.196 20 30 FDEDLP [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000329898675 825530268 /nfs/dbraw/zinc/53/02/68/825530268.db2.gz DYXQBVKMJLJMLO-UAGQMJEPSA-N 2 2 361.490 1.327 20 30 FDEDLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000329898675 825530272 /nfs/dbraw/zinc/53/02/72/825530272.db2.gz DYXQBVKMJLJMLO-UAGQMJEPSA-N 2 2 361.490 1.327 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329973733 825572044 /nfs/dbraw/zinc/57/20/44/825572044.db2.gz YTXGLNSQPUBPHT-QZTJIDSGSA-N 2 2 362.474 1.806 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329973733 825572056 /nfs/dbraw/zinc/57/20/56/825572056.db2.gz YTXGLNSQPUBPHT-QZTJIDSGSA-N 2 2 362.474 1.806 20 30 FDEDLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330266267 825780663 /nfs/dbraw/zinc/78/06/63/825780663.db2.gz PWQHGAUDJHOEDG-HNNXBMFYSA-N 2 2 361.490 1.819 20 30 FDEDLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330266267 825780674 /nfs/dbraw/zinc/78/06/74/825780674.db2.gz PWQHGAUDJHOEDG-HNNXBMFYSA-N 2 2 361.490 1.819 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105669633 844260306 /nfs/dbraw/zinc/26/03/06/844260306.db2.gz UCDMMNKTARQIDO-HNBVOPMISA-N 2 2 358.486 1.250 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)nc2C)[C@@H]1C ZINC001088631155 838622156 /nfs/dbraw/zinc/62/21/56/838622156.db2.gz VHUVZWGWERSXFR-HOJAQTOUSA-N 2 2 354.498 1.875 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)nc2C)[C@@H]1C ZINC001088631155 838622159 /nfs/dbraw/zinc/62/21/59/838622159.db2.gz VHUVZWGWERSXFR-HOJAQTOUSA-N 2 2 354.498 1.875 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)nc2C)[C@@H]1C ZINC001088631155 838622162 /nfs/dbraw/zinc/62/21/62/838622162.db2.gz VHUVZWGWERSXFR-HOJAQTOUSA-N 2 2 354.498 1.875 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)nc2C)[C@@H]1C ZINC001088631155 838622172 /nfs/dbraw/zinc/62/21/72/838622172.db2.gz VHUVZWGWERSXFR-HOJAQTOUSA-N 2 2 354.498 1.875 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673699 845414350 /nfs/dbraw/zinc/41/43/50/845414350.db2.gz OEMIMBJVJBFWOO-LFGUQSLTSA-N 2 2 360.502 1.815 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@@H]1O ZINC001083535837 846922878 /nfs/dbraw/zinc/92/28/78/846922878.db2.gz PGAXCYGACJHEQQ-QYZOEREBSA-N 2 2 361.530 1.462 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@@H]1O ZINC001083535837 846922880 /nfs/dbraw/zinc/92/28/80/846922880.db2.gz PGAXCYGACJHEQQ-QYZOEREBSA-N 2 2 361.530 1.462 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@@H]1O ZINC001083535837 846922881 /nfs/dbraw/zinc/92/28/81/846922881.db2.gz PGAXCYGACJHEQQ-QYZOEREBSA-N 2 2 361.530 1.462 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@@H]1O ZINC001083535837 846922882 /nfs/dbraw/zinc/92/28/82/846922882.db2.gz PGAXCYGACJHEQQ-QYZOEREBSA-N 2 2 361.530 1.462 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4coc(C)n4)C[C@H]32)CC1 ZINC001076605735 848556983 /nfs/dbraw/zinc/55/69/83/848556983.db2.gz QDSSILMLLPGMHN-PKOBYXMFSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4coc(C)n4)C[C@H]32)CC1 ZINC001076605735 848556988 /nfs/dbraw/zinc/55/69/88/848556988.db2.gz QDSSILMLLPGMHN-PKOBYXMFSA-N 2 2 356.470 1.361 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076632541 848616788 /nfs/dbraw/zinc/61/67/88/848616788.db2.gz HHDYQKKQQANUCK-FUHWJXTLSA-N 2 2 365.437 1.496 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076632541 848616792 /nfs/dbraw/zinc/61/67/92/848616792.db2.gz HHDYQKKQQANUCK-FUHWJXTLSA-N 2 2 365.437 1.496 20 30 FDEDLP C[NH+](C)CC#CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000913517766 862300799 /nfs/dbraw/zinc/30/07/99/862300799.db2.gz OQUDMECMXCDPCP-UHFFFAOYSA-N 2 2 353.426 1.207 20 30 FDEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083593099 852180998 /nfs/dbraw/zinc/18/09/98/852180998.db2.gz DAVUPBYCAAXIQG-AQNXPRMDSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083593099 852181003 /nfs/dbraw/zinc/18/10/03/852181003.db2.gz DAVUPBYCAAXIQG-AQNXPRMDSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083593099 852181009 /nfs/dbraw/zinc/18/10/09/852181009.db2.gz DAVUPBYCAAXIQG-AQNXPRMDSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083593099 852181013 /nfs/dbraw/zinc/18/10/13/852181013.db2.gz DAVUPBYCAAXIQG-AQNXPRMDSA-N 2 2 370.497 1.340 20 30 FDEDLP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000907589980 854412248 /nfs/dbraw/zinc/41/22/48/854412248.db2.gz SEJMQOMCQHNBSN-UHFFFAOYSA-N 2 2 358.486 1.797 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106830219 879340791 /nfs/dbraw/zinc/34/07/91/879340791.db2.gz NROWGWIFEGBOFX-IAGOWNOFSA-N 2 2 369.469 1.768 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001034273411 884069001 /nfs/dbraw/zinc/06/90/01/884069001.db2.gz QQSQTJHBUKGSIP-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001034273411 884069030 /nfs/dbraw/zinc/06/90/30/884069030.db2.gz QQSQTJHBUKGSIP-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001034273411 884069050 /nfs/dbraw/zinc/06/90/50/884069050.db2.gz QQSQTJHBUKGSIP-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001034273411 884069067 /nfs/dbraw/zinc/06/90/67/884069067.db2.gz QQSQTJHBUKGSIP-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001129080474 885689208 /nfs/dbraw/zinc/68/92/08/885689208.db2.gz PXGPGMPHSYQUPE-JQHSSLGASA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001129080474 885689210 /nfs/dbraw/zinc/68/92/10/885689210.db2.gz PXGPGMPHSYQUPE-JQHSSLGASA-N 2 2 369.473 1.045 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001084352125 914152471 /nfs/dbraw/zinc/15/24/71/914152471.db2.gz SIPDFVQMJHDRMR-NCXUSEDFSA-N 2 2 352.482 1.710 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001084352125 914152475 /nfs/dbraw/zinc/15/24/75/914152475.db2.gz SIPDFVQMJHDRMR-NCXUSEDFSA-N 2 2 352.482 1.710 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076485 900536241 /nfs/dbraw/zinc/53/62/41/900536241.db2.gz XPWZYENXGRJPMD-IXDOHACOSA-N 2 2 361.490 1.038 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079270914 902331438 /nfs/dbraw/zinc/33/14/38/902331438.db2.gz BPGLGKOUHHWNFI-FUHWJXTLSA-N 2 2 356.470 1.223 20 30 FDEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079271542 902333755 /nfs/dbraw/zinc/33/37/55/902333755.db2.gz ULTRUGUDPFJJAM-FUHWJXTLSA-N 2 2 358.486 1.776 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951221 903751473 /nfs/dbraw/zinc/75/14/73/903751473.db2.gz AQXZBPJEPLGFMH-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951221 903751479 /nfs/dbraw/zinc/75/14/79/903751479.db2.gz AQXZBPJEPLGFMH-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951221 903751488 /nfs/dbraw/zinc/75/14/88/903751488.db2.gz AQXZBPJEPLGFMH-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951221 903751497 /nfs/dbraw/zinc/75/14/97/903751497.db2.gz AQXZBPJEPLGFMH-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081675939 904923341 /nfs/dbraw/zinc/92/33/41/904923341.db2.gz NFSWJMDBOARGLK-PWRODBHTSA-N 2 2 367.493 1.195 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081675939 904923345 /nfs/dbraw/zinc/92/33/45/904923345.db2.gz NFSWJMDBOARGLK-PWRODBHTSA-N 2 2 367.493 1.195 20 30 FDEDLP N#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000996775742 905348224 /nfs/dbraw/zinc/34/82/24/905348224.db2.gz HXKJRNFMLKQCGQ-BHUNQDJPSA-N 2 2 356.474 1.082 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651809 906233374 /nfs/dbraw/zinc/23/33/74/906233374.db2.gz GQBWAKRPITUADS-UYAOXDASSA-N 2 2 358.486 1.674 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651809 906233391 /nfs/dbraw/zinc/23/33/91/906233391.db2.gz GQBWAKRPITUADS-UYAOXDASSA-N 2 2 358.486 1.674 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328184 906774784 /nfs/dbraw/zinc/77/47/84/906774784.db2.gz HSDRUOQOTJGZGA-RTBURBONSA-N 2 2 371.456 1.088 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328184 906774793 /nfs/dbraw/zinc/77/47/93/906774793.db2.gz HSDRUOQOTJGZGA-RTBURBONSA-N 2 2 371.456 1.088 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001080946904 906781809 /nfs/dbraw/zinc/78/18/09/906781809.db2.gz QOZDGSYSZXAXMN-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001080946904 906781821 /nfs/dbraw/zinc/78/18/21/906781821.db2.gz QOZDGSYSZXAXMN-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080979371 906848481 /nfs/dbraw/zinc/84/84/81/906848481.db2.gz NBHFJSJWOCKBDH-LZQZEXGQSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080979371 906848491 /nfs/dbraw/zinc/84/84/91/906848491.db2.gz NBHFJSJWOCKBDH-LZQZEXGQSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080979371 906848499 /nfs/dbraw/zinc/84/84/99/906848499.db2.gz NBHFJSJWOCKBDH-LZQZEXGQSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080979371 906848505 /nfs/dbraw/zinc/84/85/05/906848505.db2.gz NBHFJSJWOCKBDH-LZQZEXGQSA-N 2 2 356.470 1.215 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)oc3C)C[C@H]2C)CC1 ZINC001080997594 906970674 /nfs/dbraw/zinc/97/06/74/906970674.db2.gz GHRCUUWMGRZYRS-RDTXWAMCSA-N 2 2 358.486 1.573 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)oc3C)C[C@H]2C)CC1 ZINC001080997594 906970681 /nfs/dbraw/zinc/97/06/81/906970681.db2.gz GHRCUUWMGRZYRS-RDTXWAMCSA-N 2 2 358.486 1.573 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001082567660 908702467 /nfs/dbraw/zinc/70/24/67/908702467.db2.gz STYRCDNMWMCSIW-NXHRZFHOSA-N 2 2 366.465 1.862 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001082567660 908702481 /nfs/dbraw/zinc/70/24/81/908702481.db2.gz STYRCDNMWMCSIW-NXHRZFHOSA-N 2 2 366.465 1.862 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001032532751 909466136 /nfs/dbraw/zinc/46/61/36/909466136.db2.gz HDCZBEQPPYDADT-OKYOBFRVSA-N 2 2 363.502 1.118 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001032532751 909466144 /nfs/dbraw/zinc/46/61/44/909466144.db2.gz HDCZBEQPPYDADT-OKYOBFRVSA-N 2 2 363.502 1.118 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000730103883 916132396 /nfs/dbraw/zinc/13/23/96/916132396.db2.gz KJVSNAHJGKOYDU-FQEVSTJZSA-N 2 2 350.466 1.690 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000730103883 916132409 /nfs/dbraw/zinc/13/24/09/916132409.db2.gz KJVSNAHJGKOYDU-FQEVSTJZSA-N 2 2 350.466 1.690 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000730103883 916132415 /nfs/dbraw/zinc/13/24/15/916132415.db2.gz KJVSNAHJGKOYDU-FQEVSTJZSA-N 2 2 350.466 1.690 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000730103883 916132421 /nfs/dbraw/zinc/13/24/21/916132421.db2.gz KJVSNAHJGKOYDU-FQEVSTJZSA-N 2 2 350.466 1.690 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000730282487 916462171 /nfs/dbraw/zinc/46/21/71/916462171.db2.gz MPCVEZZUMBPDMB-HKUYNNGSSA-N 2 2 368.481 1.420 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000730282487 916462180 /nfs/dbraw/zinc/46/21/80/916462180.db2.gz MPCVEZZUMBPDMB-HKUYNNGSSA-N 2 2 368.481 1.420 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000730282487 916462189 /nfs/dbraw/zinc/46/21/89/916462189.db2.gz MPCVEZZUMBPDMB-HKUYNNGSSA-N 2 2 368.481 1.420 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000730282487 916462200 /nfs/dbraw/zinc/46/22/00/916462200.db2.gz MPCVEZZUMBPDMB-HKUYNNGSSA-N 2 2 368.481 1.420 20 30 FDEDLP C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086482166 927525176 /nfs/dbraw/zinc/52/51/76/927525176.db2.gz RFNFQASLVPPQIH-AAVRWANBSA-N 2 2 367.291 1.917 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109528897 929684209 /nfs/dbraw/zinc/68/42/09/929684209.db2.gz POJPCMAWWHFGEV-AYBZRNKSSA-N 2 2 358.486 1.686 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109528897 929684213 /nfs/dbraw/zinc/68/42/13/929684213.db2.gz POJPCMAWWHFGEV-AYBZRNKSSA-N 2 2 358.486 1.686 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109718375 930219742 /nfs/dbraw/zinc/21/97/42/930219742.db2.gz FGIVOXWWPFYBGN-NBMJBFSESA-N 2 2 356.470 1.125 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109718375 930219748 /nfs/dbraw/zinc/21/97/48/930219748.db2.gz FGIVOXWWPFYBGN-NBMJBFSESA-N 2 2 356.470 1.125 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001129803509 938517117 /nfs/dbraw/zinc/51/71/17/938517117.db2.gz OQYYXJGOQQOKJH-SJORKVTESA-N 2 2 371.489 1.722 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129910506 938550170 /nfs/dbraw/zinc/55/01/70/938550170.db2.gz WMHPIMBDZVRADL-SJORKVTESA-N 2 2 351.414 1.386 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129897609 938558371 /nfs/dbraw/zinc/55/83/71/938558371.db2.gz BVCCJODVARHFSI-SRABZTEZSA-N 2 2 355.446 1.113 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129897609 938558374 /nfs/dbraw/zinc/55/83/74/938558374.db2.gz BVCCJODVARHFSI-SRABZTEZSA-N 2 2 355.446 1.113 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001131528566 940698867 /nfs/dbraw/zinc/69/88/67/940698867.db2.gz ZBRAIBXVXSKVGN-XLIONFOSSA-N 2 2 366.465 1.957 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001131562450 940735936 /nfs/dbraw/zinc/73/59/36/940735936.db2.gz TVTUQPDLVWDWLP-HQRMLTQVSA-N 2 2 370.497 1.839 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001131562542 940736375 /nfs/dbraw/zinc/73/63/75/940736375.db2.gz YASLVMQDZYAZNI-POAQFYNOSA-N 2 2 370.497 1.839 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001086720554 941624656 /nfs/dbraw/zinc/62/46/56/941624656.db2.gz BWTZWEUQMZKQKF-KSZLIROESA-N 2 2 355.486 1.257 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001086720554 941624659 /nfs/dbraw/zinc/62/46/59/941624659.db2.gz BWTZWEUQMZKQKF-KSZLIROESA-N 2 2 355.486 1.257 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001086764731 942432911 /nfs/dbraw/zinc/43/29/11/942432911.db2.gz DVOASNQIQIDOEA-MANSERQUSA-N 2 2 365.518 1.317 20 30 FDEDLP C#CCNC(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000817274488 942674710 /nfs/dbraw/zinc/67/47/10/942674710.db2.gz MBUNOMJTBDSKIN-UHFFFAOYSA-N 2 2 355.482 1.480 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276056 954670590 /nfs/dbraw/zinc/67/05/90/954670590.db2.gz BCKHHPUWFFQRDB-KYJSFNMBSA-N 2 2 355.910 1.488 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276056 954670600 /nfs/dbraw/zinc/67/06/00/954670600.db2.gz BCKHHPUWFFQRDB-KYJSFNMBSA-N 2 2 355.910 1.488 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]ccc3OC)[C@@H]2C(C)C)C[C@H]1O ZINC001093451702 958134445 /nfs/dbraw/zinc/13/44/45/958134445.db2.gz XAUWEKFNAQOMBT-DEPWHIHDSA-N 2 2 371.481 1.232 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)o2)[C@H](C)C1 ZINC001093830830 958922246 /nfs/dbraw/zinc/92/22/46/958922246.db2.gz UHTZPSKCTFRPAV-OIISXLGYSA-N 2 2 371.485 1.229 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C3CC3)o2)[C@H](C)C1 ZINC001093830830 958922249 /nfs/dbraw/zinc/92/22/49/958922249.db2.gz UHTZPSKCTFRPAV-OIISXLGYSA-N 2 2 371.485 1.229 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nonc1C)CC2 ZINC001094436862 960482208 /nfs/dbraw/zinc/48/22/08/960482208.db2.gz LABCMFKHULJFCQ-NLWGTHIKSA-N 2 2 371.485 1.336 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nonc1C)CC2 ZINC001094436862 960482212 /nfs/dbraw/zinc/48/22/12/960482212.db2.gz LABCMFKHULJFCQ-NLWGTHIKSA-N 2 2 371.485 1.336 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nonc1C)CC2 ZINC001094436862 960482222 /nfs/dbraw/zinc/48/22/22/960482222.db2.gz LABCMFKHULJFCQ-NLWGTHIKSA-N 2 2 371.485 1.336 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nonc1C)CC2 ZINC001094436862 960482227 /nfs/dbraw/zinc/48/22/27/960482227.db2.gz LABCMFKHULJFCQ-NLWGTHIKSA-N 2 2 371.485 1.336 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752660 964430898 /nfs/dbraw/zinc/43/08/98/964430898.db2.gz XMBQGSKNHVTQCC-ARFHVFGLSA-N 2 2 361.490 1.470 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752660 964430906 /nfs/dbraw/zinc/43/09/06/964430906.db2.gz XMBQGSKNHVTQCC-ARFHVFGLSA-N 2 2 361.490 1.470 20 30 FDEDLP O=C(C#CC1CC[NH2+]CC1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000852863054 967668200 /nfs/dbraw/zinc/66/82/00/967668200.db2.gz PRFRFSXDDNYUHK-UHFFFAOYSA-N 2 2 371.481 1.017 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000868653095 977870054 /nfs/dbraw/zinc/87/00/54/977870054.db2.gz QFHJVGWHTYGLIM-UHFFFAOYSA-N 2 2 366.506 1.047 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000868653095 977870062 /nfs/dbraw/zinc/87/00/62/977870062.db2.gz QFHJVGWHTYGLIM-UHFFFAOYSA-N 2 2 366.506 1.047 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cc[nH+]c(N3CCSCC3)c1)C2 ZINC000884463374 983170762 /nfs/dbraw/zinc/17/07/62/983170762.db2.gz FMSOIAMEVISUPB-WUJZJPHMSA-N 2 2 371.510 1.390 20 30 FDEDLP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000872634146 987888597 /nfs/dbraw/zinc/88/85/97/987888597.db2.gz WWHMHACXXHISGH-UHFFFAOYSA-N 2 2 358.486 1.456 20 30 FDEDLP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000872634146 987888600 /nfs/dbraw/zinc/88/86/00/987888600.db2.gz WWHMHACXXHISGH-UHFFFAOYSA-N 2 2 358.486 1.456 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(OCC#N)cc3)C2)CC1 ZINC000364208867 989514243 /nfs/dbraw/zinc/51/42/43/989514243.db2.gz UBTSYVRFWOWFAQ-WEBJUUICSA-N 2 2 368.481 1.887 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(OCC#N)cc3)C2)CC1 ZINC000364208867 989514258 /nfs/dbraw/zinc/51/42/58/989514258.db2.gz UBTSYVRFWOWFAQ-WEBJUUICSA-N 2 2 368.481 1.887 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000297845558 989722974 /nfs/dbraw/zinc/72/29/74/989722974.db2.gz OXMQJXURIBHBIK-IBGZPJMESA-N 2 2 358.486 1.142 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000297845558 989722976 /nfs/dbraw/zinc/72/29/76/989722976.db2.gz OXMQJXURIBHBIK-IBGZPJMESA-N 2 2 358.486 1.142 20 30 FDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000297845558 989722979 /nfs/dbraw/zinc/72/29/79/989722979.db2.gz OXMQJXURIBHBIK-IBGZPJMESA-N 2 2 358.486 1.142 20 30 FDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000297845558 989722982 /nfs/dbraw/zinc/72/29/82/989722982.db2.gz OXMQJXURIBHBIK-IBGZPJMESA-N 2 2 358.486 1.142 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000876722823 992837265 /nfs/dbraw/zinc/83/72/65/992837265.db2.gz GANHXRZLVKDUKF-OAQYLSRUSA-N 2 2 360.461 1.920 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000876722823 992837277 /nfs/dbraw/zinc/83/72/77/992837277.db2.gz GANHXRZLVKDUKF-OAQYLSRUSA-N 2 2 360.461 1.920 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000876784488 992912201 /nfs/dbraw/zinc/91/22/01/992912201.db2.gz HLVJEQYHWDAAQQ-KRWDZBQOSA-N 2 2 366.893 1.721 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1scnc1C ZINC001095556359 993441553 /nfs/dbraw/zinc/44/15/53/993441553.db2.gz NJVAQCBODJFAID-OWSLCNJRSA-N 2 2 372.538 1.813 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1scnc1C ZINC001095556359 993441585 /nfs/dbraw/zinc/44/15/85/993441585.db2.gz NJVAQCBODJFAID-OWSLCNJRSA-N 2 2 372.538 1.813 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1scnc1C ZINC001095556359 993441593 /nfs/dbraw/zinc/44/15/93/993441593.db2.gz NJVAQCBODJFAID-OWSLCNJRSA-N 2 2 372.538 1.813 20 30 FDEDLP Cc1c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cnn1CCC#N ZINC000889247791 998245506 /nfs/dbraw/zinc/24/55/06/998245506.db2.gz VITSOBYIHYGTSB-UHFFFAOYSA-N 2 2 372.517 1.785 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000286444008 999944482 /nfs/dbraw/zinc/94/44/82/999944482.db2.gz HCGUDGPBJQORDM-UHFFFAOYSA-N 2 2 359.474 1.203 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000928661433 1001615845 /nfs/dbraw/zinc/61/58/45/1001615845.db2.gz WHQAWHRNQYSELA-UHFFFAOYSA-N 2 2 351.454 1.823 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC#CC[NH+](C)C)C[C@@H](C)O1 ZINC000929770802 1002421674 /nfs/dbraw/zinc/42/16/74/1002421674.db2.gz YJLXSTQONSEWJE-IAGOWNOFSA-N 2 2 358.486 1.982 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C#N)CCSCC3)CC2)CC1 ZINC000931216368 1003967127 /nfs/dbraw/zinc/96/71/27/1003967127.db2.gz GDOVMLWTSMRKFC-UHFFFAOYSA-N 2 2 350.532 1.698 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329123266 259079025 /nfs/dbraw/zinc/07/90/25/259079025.db2.gz XCSNGUIEIKSXCP-DLBZAZTESA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329123266 259079026 /nfs/dbraw/zinc/07/90/26/259079026.db2.gz XCSNGUIEIKSXCP-DLBZAZTESA-N 2 2 370.497 1.952 20 30 FDEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)NC3CCOCC3)CCC[NH+]2C)cn1 ZINC000328653953 522405433 /nfs/dbraw/zinc/40/54/33/522405433.db2.gz XCLZSQGIDRYSMW-HNAYVOBHSA-N 2 2 363.506 1.870 20 30 FDEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NC3CCOCC3)CCC[NH+]2C)cn1 ZINC000328653953 522405442 /nfs/dbraw/zinc/40/54/42/522405442.db2.gz XCLZSQGIDRYSMW-HNAYVOBHSA-N 2 2 363.506 1.870 20 30 FDEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NC3CCOCC3)CCC[N@@H+]2C)cn1 ZINC000328653953 522405454 /nfs/dbraw/zinc/40/54/54/522405454.db2.gz XCLZSQGIDRYSMW-HNAYVOBHSA-N 2 2 363.506 1.870 20 30 FDEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NC3CCOCC3)CCC[N@H+]2C)cn1 ZINC000328653953 522405461 /nfs/dbraw/zinc/40/54/61/522405461.db2.gz XCLZSQGIDRYSMW-HNAYVOBHSA-N 2 2 363.506 1.870 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000051888770 523093566 /nfs/dbraw/zinc/09/35/66/523093566.db2.gz JXYRWHNWLNMNSO-UHFFFAOYSA-N 2 2 369.469 1.172 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156958843 524182046 /nfs/dbraw/zinc/18/20/46/524182046.db2.gz HHVFXBHUDUTVKB-WMZOPIPTSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156958843 524182054 /nfs/dbraw/zinc/18/20/54/524182054.db2.gz HHVFXBHUDUTVKB-WMZOPIPTSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156958843 524182060 /nfs/dbraw/zinc/18/20/60/524182060.db2.gz HHVFXBHUDUTVKB-WMZOPIPTSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156958843 524182068 /nfs/dbraw/zinc/18/20/68/524182068.db2.gz HHVFXBHUDUTVKB-WMZOPIPTSA-N 2 2 358.486 1.983 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000173161379 524337387 /nfs/dbraw/zinc/33/73/87/524337387.db2.gz BJLHIYOVNBQPNS-UHFFFAOYSA-N 2 2 357.502 1.360 20 30 FDEDLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000122037065 524437566 /nfs/dbraw/zinc/43/75/66/524437566.db2.gz HWXYDQKNFVEGFY-SFHVURJKSA-N 2 2 369.513 1.228 20 30 FDEDLP CCN(CCC#N)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258299 525264292 /nfs/dbraw/zinc/26/42/92/525264292.db2.gz NQRSPEKBHHFUAJ-UHFFFAOYSA-N 2 2 357.502 1.782 20 30 FDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258299 525264294 /nfs/dbraw/zinc/26/42/94/525264294.db2.gz NQRSPEKBHHFUAJ-UHFFFAOYSA-N 2 2 357.502 1.782 20 30 FDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178905621 525503187 /nfs/dbraw/zinc/50/31/87/525503187.db2.gz PEBHGFLXCLFUDB-FUHWJXTLSA-N 2 2 372.469 1.000 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119633469 525810413 /nfs/dbraw/zinc/81/04/13/525810413.db2.gz IMHKIBNOUISSHU-KAKFPZCNSA-N 2 2 361.534 1.237 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119633469 525810415 /nfs/dbraw/zinc/81/04/15/525810415.db2.gz IMHKIBNOUISSHU-KAKFPZCNSA-N 2 2 361.534 1.237 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119633469 525810418 /nfs/dbraw/zinc/81/04/18/525810418.db2.gz IMHKIBNOUISSHU-KAKFPZCNSA-N 2 2 361.534 1.237 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119633469 525810420 /nfs/dbraw/zinc/81/04/20/525810420.db2.gz IMHKIBNOUISSHU-KAKFPZCNSA-N 2 2 361.534 1.237 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000182035908 526029645 /nfs/dbraw/zinc/02/96/45/526029645.db2.gz UFFNHHKZLWOLHT-UHFFFAOYSA-N 2 2 354.414 1.917 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000285526683 537726740 /nfs/dbraw/zinc/72/67/40/537726740.db2.gz PLTQKJGPWNMRCS-SFHVURJKSA-N 2 2 367.534 1.635 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000375799483 537772800 /nfs/dbraw/zinc/77/28/00/537772800.db2.gz VXHLWJHGVGLJFU-OAQYLSRUSA-N 2 2 372.513 1.665 20 30 FDEDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000375799483 537772804 /nfs/dbraw/zinc/77/28/04/537772804.db2.gz VXHLWJHGVGLJFU-OAQYLSRUSA-N 2 2 372.513 1.665 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366680201 537821528 /nfs/dbraw/zinc/82/15/28/537821528.db2.gz QJIYTFWTUPBYPA-QRQLOZEOSA-N 2 2 364.534 1.778 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366680201 537821536 /nfs/dbraw/zinc/82/15/36/537821536.db2.gz QJIYTFWTUPBYPA-QRQLOZEOSA-N 2 2 364.534 1.778 20 30 FDEDLP C=C(C)COCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422188966 538182338 /nfs/dbraw/zinc/18/23/38/538182338.db2.gz MMMLRUNTDGHXBX-UHFFFAOYSA-N 2 2 352.523 1.781 20 30 FDEDLP C=C(C)COCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422188966 538182345 /nfs/dbraw/zinc/18/23/45/538182345.db2.gz MMMLRUNTDGHXBX-UHFFFAOYSA-N 2 2 352.523 1.781 20 30 FDEDLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1 ZINC000424133198 538244296 /nfs/dbraw/zinc/24/42/96/538244296.db2.gz JFQRMUMUYKEFKG-QGZVFWFLSA-N 2 2 360.458 1.369 20 30 FDEDLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424177496 538249483 /nfs/dbraw/zinc/24/94/83/538249483.db2.gz UTEBMBCPMATILU-SFHVURJKSA-N 2 2 357.458 1.310 20 30 FDEDLP C[C@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC000571865615 549785386 /nfs/dbraw/zinc/78/53/86/549785386.db2.gz WDMPIKWFQKKSLW-FQEVSTJZSA-N 2 2 355.486 1.775 20 30 FDEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000575327477 550453760 /nfs/dbraw/zinc/45/37/60/550453760.db2.gz XLLNRGVFYGGUPV-IBGZPJMESA-N 2 2 355.486 1.719 20 30 FDEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000575327477 550453764 /nfs/dbraw/zinc/45/37/64/550453764.db2.gz XLLNRGVFYGGUPV-IBGZPJMESA-N 2 2 355.486 1.719 20 30 FDEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000575327477 550453765 /nfs/dbraw/zinc/45/37/65/550453765.db2.gz XLLNRGVFYGGUPV-IBGZPJMESA-N 2 2 355.486 1.719 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ncc(C#N)cc3C)CC2)CC1 ZINC000584714345 551534895 /nfs/dbraw/zinc/53/48/95/551534895.db2.gz QCDLFKFWAIOUKG-UHFFFAOYSA-N 2 2 355.486 1.894 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ncc(C#N)cc3C)CC2)CC1 ZINC000584714345 551534897 /nfs/dbraw/zinc/53/48/97/551534897.db2.gz QCDLFKFWAIOUKG-UHFFFAOYSA-N 2 2 355.486 1.894 20 30 FDEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000594439393 552310392 /nfs/dbraw/zinc/31/03/92/552310392.db2.gz VIPWLXNZMQMZRA-MOPGFXCFSA-N 2 2 358.486 1.457 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000594802827 552390826 /nfs/dbraw/zinc/39/08/26/552390826.db2.gz DSOXXKQHOQTSHT-HNNXBMFYSA-N 2 2 352.504 1.250 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000594802827 552390827 /nfs/dbraw/zinc/39/08/27/552390827.db2.gz DSOXXKQHOQTSHT-HNNXBMFYSA-N 2 2 352.504 1.250 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000594821801 552398962 /nfs/dbraw/zinc/39/89/62/552398962.db2.gz NVGVYWCRYHXCEP-UHFFFAOYSA-N 2 2 352.504 1.056 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000594821801 552398964 /nfs/dbraw/zinc/39/89/64/552398964.db2.gz NVGVYWCRYHXCEP-UHFFFAOYSA-N 2 2 352.504 1.056 20 30 FDEDLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839732 552621809 /nfs/dbraw/zinc/62/18/09/552621809.db2.gz IQTJEFVCYNHPCB-UTKZUKDTSA-N 2 2 370.497 1.759 20 30 FDEDLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839732 552621811 /nfs/dbraw/zinc/62/18/11/552621811.db2.gz IQTJEFVCYNHPCB-UTKZUKDTSA-N 2 2 370.497 1.759 20 30 FDEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C#N)n3)CC2)CC1 ZINC000602463899 553586642 /nfs/dbraw/zinc/58/66/42/553586642.db2.gz XRVWGBOFHAUCOA-UHFFFAOYSA-N 2 2 355.486 1.719 20 30 FDEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000609213495 554350465 /nfs/dbraw/zinc/35/04/65/554350465.db2.gz PURSLHWARNYEOD-QGZVFWFLSA-N 2 2 373.501 1.352 20 30 FDEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000609213495 554350468 /nfs/dbraw/zinc/35/04/68/554350468.db2.gz PURSLHWARNYEOD-QGZVFWFLSA-N 2 2 373.501 1.352 20 30 FDEDLP CC[NH+]=C(NCC[N@H+](C)C1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158580524 671981073 /nfs/dbraw/zinc/98/10/73/671981073.db2.gz VYQFAEJJVDZPOT-UHFFFAOYSA-N 2 2 372.579 1.725 20 30 FDEDLP CC[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158580524 671981076 /nfs/dbraw/zinc/98/10/76/671981076.db2.gz VYQFAEJJVDZPOT-UHFFFAOYSA-N 2 2 372.579 1.725 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943237 672698872 /nfs/dbraw/zinc/69/88/72/672698872.db2.gz FBIYEYHXZPTNPB-CABCVRRESA-N 2 2 358.552 1.191 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943237 672698874 /nfs/dbraw/zinc/69/88/74/672698874.db2.gz FBIYEYHXZPTNPB-CABCVRRESA-N 2 2 358.552 1.191 20 30 FDEDLP CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261959931 672702443 /nfs/dbraw/zinc/70/24/43/672702443.db2.gz JYPLINARNRHVOE-JYJNAYRXSA-N 2 2 367.519 1.166 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[C@@H](COC)C1 ZINC000262431444 672788628 /nfs/dbraw/zinc/78/86/28/672788628.db2.gz FEYXUXAHQVUMEC-QGZVFWFLSA-N 2 2 352.523 1.565 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001022734317 782768393 /nfs/dbraw/zinc/76/83/93/782768393.db2.gz RCVAWTNCNABYJP-XMTFNYHQSA-N 2 2 367.428 1.971 20 30 FDEDLP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001020603559 770976004 /nfs/dbraw/zinc/97/60/04/770976004.db2.gz GUSWZTYRYVBVLN-FDYHWXHSSA-N 2 2 353.264 1.669 20 30 FDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCC[N@H+]1CCCC)C2 ZINC001112492955 773732996 /nfs/dbraw/zinc/73/29/96/773732996.db2.gz KYDJJIMDWVDMBD-ZJOUEHCJSA-N 2 2 361.530 1.729 20 30 FDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCC[N@@H+]1CCCC)C2 ZINC001112492955 773733004 /nfs/dbraw/zinc/73/30/04/773733004.db2.gz KYDJJIMDWVDMBD-ZJOUEHCJSA-N 2 2 361.530 1.729 20 30 FDEDLP C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376705363 790341365 /nfs/dbraw/zinc/34/13/65/790341365.db2.gz FEDCSICFAWVJAL-IBGZPJMESA-N 2 2 354.498 2.000 20 30 FDEDLP C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376705363 790341381 /nfs/dbraw/zinc/34/13/81/790341381.db2.gz FEDCSICFAWVJAL-IBGZPJMESA-N 2 2 354.498 2.000 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000375900276 785260985 /nfs/dbraw/zinc/26/09/85/785260985.db2.gz GFQDYJGIPMHYRS-XLIONFOSSA-N 2 2 369.513 1.986 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000375900276 785260989 /nfs/dbraw/zinc/26/09/89/785260989.db2.gz GFQDYJGIPMHYRS-XLIONFOSSA-N 2 2 369.513 1.986 20 30 FDEDLP C[NH+]1CCC(CNC(=O)N2CCO[C@](C)(C#N)C2)([NH+]2CCCCC2)CC1 ZINC000893266637 794523385 /nfs/dbraw/zinc/52/33/85/794523385.db2.gz ICUUSRMXWKFBPD-GOSISDBHSA-N 2 2 363.506 1.261 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954997 794554145 /nfs/dbraw/zinc/55/41/45/794554145.db2.gz DBYZKAZKJKMCSS-FVQBIDKESA-N 2 2 361.490 1.026 20 30 FDEDLP C=CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)COC ZINC000663876419 809972187 /nfs/dbraw/zinc/97/21/87/809972187.db2.gz GHTQGUYOBIIBDI-INIZCTEOSA-N 2 2 352.523 1.778 20 30 FDEDLP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1C ZINC000261955844 811352608 /nfs/dbraw/zinc/35/26/08/811352608.db2.gz ISAJHVLCKKFTLK-CJNGLKHVSA-N 2 2 356.478 1.511 20 30 FDEDLP N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C(N)=O)cc1 ZINC000513448031 811523361 /nfs/dbraw/zinc/52/33/61/811523361.db2.gz PTIHVFVEIYJSLE-VQTJNVASSA-N 2 2 364.449 1.441 20 30 FDEDLP N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C(N)=O)cc1 ZINC000513448031 811523365 /nfs/dbraw/zinc/52/33/65/811523365.db2.gz PTIHVFVEIYJSLE-VQTJNVASSA-N 2 2 364.449 1.441 20 30 FDEDLP C[NH+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@]2(CCOC2)C1 ZINC000261969935 817868723 /nfs/dbraw/zinc/86/87/23/817868723.db2.gz MNZNKBUAJFZERF-TZIWHRDSSA-N 2 2 372.513 1.575 20 30 FDEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@]2(CCOC2)C1 ZINC000261969935 817868735 /nfs/dbraw/zinc/86/87/35/817868735.db2.gz MNZNKBUAJFZERF-TZIWHRDSSA-N 2 2 372.513 1.575 20 30 FDEDLP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000329063394 824551856 /nfs/dbraw/zinc/55/18/56/824551856.db2.gz OGADCZBVVMKDRF-MSOLQXFVSA-N 2 2 368.522 1.195 20 30 FDEDLP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000329063394 824551859 /nfs/dbraw/zinc/55/18/59/824551859.db2.gz OGADCZBVVMKDRF-MSOLQXFVSA-N 2 2 368.522 1.195 20 30 FDEDLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000329212688 824673037 /nfs/dbraw/zinc/67/30/37/824673037.db2.gz IDQGPGJUGVKLSK-SFHVURJKSA-N 2 2 374.533 1.735 20 30 FDEDLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000329212688 824673039 /nfs/dbraw/zinc/67/30/39/824673039.db2.gz IDQGPGJUGVKLSK-SFHVURJKSA-N 2 2 374.533 1.735 20 30 FDEDLP O=C(CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000330266246 825780592 /nfs/dbraw/zinc/78/05/92/825780592.db2.gz PWFXGNWPANTOJH-QGZVFWFLSA-N 2 2 371.485 1.704 20 30 FDEDLP O=C(CCNC(=O)[C@H]1CCC[N@H+]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000330266246 825780603 /nfs/dbraw/zinc/78/06/03/825780603.db2.gz PWFXGNWPANTOJH-QGZVFWFLSA-N 2 2 371.485 1.704 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280918736 825828871 /nfs/dbraw/zinc/82/88/71/825828871.db2.gz OCTPIANYWWMQLR-LJQANCHMSA-N 2 2 367.497 1.725 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280918736 825828886 /nfs/dbraw/zinc/82/88/86/825828886.db2.gz OCTPIANYWWMQLR-LJQANCHMSA-N 2 2 367.497 1.725 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080636 826155540 /nfs/dbraw/zinc/15/55/40/826155540.db2.gz GSRZAQHLWKZYKM-IKGGRYGDSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080636 826155552 /nfs/dbraw/zinc/15/55/52/826155552.db2.gz GSRZAQHLWKZYKM-IKGGRYGDSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080636 826155558 /nfs/dbraw/zinc/15/55/58/826155558.db2.gz GSRZAQHLWKZYKM-IKGGRYGDSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080636 826155564 /nfs/dbraw/zinc/15/55/64/826155564.db2.gz GSRZAQHLWKZYKM-IKGGRYGDSA-N 2 2 355.910 1.628 20 30 FDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528415846 829394738 /nfs/dbraw/zinc/39/47/38/829394738.db2.gz JXYMDDKKHINQCV-VQIMIIECSA-N 2 2 353.466 1.948 20 30 FDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528415846 829394750 /nfs/dbraw/zinc/39/47/50/829394750.db2.gz JXYMDDKKHINQCV-VQIMIIECSA-N 2 2 353.466 1.948 20 30 FDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528415846 829394759 /nfs/dbraw/zinc/39/47/59/829394759.db2.gz JXYMDDKKHINQCV-VQIMIIECSA-N 2 2 353.466 1.948 20 30 FDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528415846 829394776 /nfs/dbraw/zinc/39/47/76/829394776.db2.gz JXYMDDKKHINQCV-VQIMIIECSA-N 2 2 353.466 1.948 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001076046888 847149784 /nfs/dbraw/zinc/14/97/84/847149784.db2.gz RDMIIQCBKMYXHU-WMLDXEAASA-N 2 2 355.467 1.858 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001076046888 847149793 /nfs/dbraw/zinc/14/97/93/847149793.db2.gz RDMIIQCBKMYXHU-WMLDXEAASA-N 2 2 355.467 1.858 20 30 FDEDLP C=C(Br)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457737 848181611 /nfs/dbraw/zinc/18/16/11/848181611.db2.gz PJIPNKDVPLSILG-SOUVJXGZSA-N 2 2 356.308 1.770 20 30 FDEDLP C=C(Br)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457737 848181631 /nfs/dbraw/zinc/18/16/31/848181631.db2.gz PJIPNKDVPLSILG-SOUVJXGZSA-N 2 2 356.308 1.770 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457737 848181638 /nfs/dbraw/zinc/18/16/38/848181638.db2.gz PJIPNKDVPLSILG-SOUVJXGZSA-N 2 2 356.308 1.770 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457737 848181647 /nfs/dbraw/zinc/18/16/47/848181647.db2.gz PJIPNKDVPLSILG-SOUVJXGZSA-N 2 2 356.308 1.770 20 30 FDEDLP Cc1cc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000170982873 865052149 /nfs/dbraw/zinc/05/21/49/865052149.db2.gz QMCUFPZQVCMRQQ-UHFFFAOYSA-N 2 2 357.458 1.980 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004837 884999169 /nfs/dbraw/zinc/99/91/69/884999169.db2.gz ZBMOXYFFKPLYMI-BBWFWOEESA-N 2 2 369.473 1.053 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004837 884999171 /nfs/dbraw/zinc/99/91/71/884999171.db2.gz ZBMOXYFFKPLYMI-BBWFWOEESA-N 2 2 369.473 1.053 20 30 FDEDLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001127548216 887278343 /nfs/dbraw/zinc/27/83/43/887278343.db2.gz ZGGHBUQZPMVZGS-UYAOXDASSA-N 2 2 362.477 1.911 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430293 897001216 /nfs/dbraw/zinc/00/12/16/897001216.db2.gz IBIUVTPEWGEVGV-XUVXKRRUSA-N 2 2 370.497 1.748 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430293 897001230 /nfs/dbraw/zinc/00/12/30/897001230.db2.gz IBIUVTPEWGEVGV-XUVXKRRUSA-N 2 2 370.497 1.748 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430293 897001246 /nfs/dbraw/zinc/00/12/46/897001246.db2.gz IBIUVTPEWGEVGV-XUVXKRRUSA-N 2 2 370.497 1.748 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430293 897001259 /nfs/dbraw/zinc/00/12/59/897001259.db2.gz IBIUVTPEWGEVGV-XUVXKRRUSA-N 2 2 370.497 1.748 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079187608 902134782 /nfs/dbraw/zinc/13/47/82/902134782.db2.gz OPUOUPHAIIDLJA-VXIBKDFQSA-N 2 2 352.413 1.870 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cccc(F)c1 ZINC001079192312 902149396 /nfs/dbraw/zinc/14/93/96/902149396.db2.gz ADRJBHIPULSMRW-ZWKOTPCHSA-N 2 2 354.429 1.709 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263867 902308075 /nfs/dbraw/zinc/30/80/75/902308075.db2.gz PDZAEKWIVSHOOL-GBESFXJTSA-N 2 2 370.497 1.797 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265565 902312020 /nfs/dbraw/zinc/31/20/20/902312020.db2.gz PBOPOZBMINFRTF-RYQLBKOJSA-N 2 2 358.486 1.714 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265565 902312027 /nfs/dbraw/zinc/31/20/27/902312027.db2.gz PBOPOZBMINFRTF-RYQLBKOJSA-N 2 2 358.486 1.714 20 30 FDEDLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C ZINC001084448411 914669633 /nfs/dbraw/zinc/66/96/33/914669633.db2.gz WNVJXACDVBBUEZ-BHIYHBOVSA-N 2 2 370.497 1.940 20 30 FDEDLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C ZINC001084448411 914669641 /nfs/dbraw/zinc/66/96/41/914669641.db2.gz WNVJXACDVBBUEZ-BHIYHBOVSA-N 2 2 370.497 1.940 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1C ZINC001079878171 903602712 /nfs/dbraw/zinc/60/27/12/903602712.db2.gz KETRKVVJLPWJQU-OLMNPRSZSA-N 2 2 360.527 1.528 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1C ZINC001079878171 903602724 /nfs/dbraw/zinc/60/27/24/903602724.db2.gz KETRKVVJLPWJQU-OLMNPRSZSA-N 2 2 360.527 1.528 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1C ZINC001079878171 903602730 /nfs/dbraw/zinc/60/27/30/903602730.db2.gz KETRKVVJLPWJQU-OLMNPRSZSA-N 2 2 360.527 1.528 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1C ZINC001079878171 903602735 /nfs/dbraw/zinc/60/27/35/903602735.db2.gz KETRKVVJLPWJQU-OLMNPRSZSA-N 2 2 360.527 1.528 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991221 903815088 /nfs/dbraw/zinc/81/50/88/903815088.db2.gz ACYVBPGQMYSJRZ-MOXGXCLJSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991221 903815101 /nfs/dbraw/zinc/81/51/01/903815101.db2.gz ACYVBPGQMYSJRZ-MOXGXCLJSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991222 903815514 /nfs/dbraw/zinc/81/55/14/903815514.db2.gz ACYVBPGQMYSJRZ-XFQXTVEOSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991222 903815526 /nfs/dbraw/zinc/81/55/26/903815526.db2.gz ACYVBPGQMYSJRZ-XFQXTVEOSA-N 2 2 363.465 1.954 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326460 906906340 /nfs/dbraw/zinc/90/63/40/906906340.db2.gz DXJYPGXCDLXIKH-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326460 906906345 /nfs/dbraw/zinc/90/63/45/906906345.db2.gz DXJYPGXCDLXIKH-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326460 906906350 /nfs/dbraw/zinc/90/63/50/906906350.db2.gz DXJYPGXCDLXIKH-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326460 906906355 /nfs/dbraw/zinc/90/63/55/906906355.db2.gz DXJYPGXCDLXIKH-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]2C)CC1 ZINC001080998135 906975619 /nfs/dbraw/zinc/97/56/19/906975619.db2.gz UKXHDQWPHOOAAK-CRAIPNDOSA-N 2 2 358.486 1.519 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]2C)CC1 ZINC001080998135 906975627 /nfs/dbraw/zinc/97/56/27/906975627.db2.gz UKXHDQWPHOOAAK-CRAIPNDOSA-N 2 2 358.486 1.519 20 30 FDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001107951881 908366309 /nfs/dbraw/zinc/36/63/09/908366309.db2.gz VTEIECNMMZTKNK-WSTZPKSXSA-N 2 2 365.518 1.126 20 30 FDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001107951881 908366325 /nfs/dbraw/zinc/36/63/25/908366325.db2.gz VTEIECNMMZTKNK-WSTZPKSXSA-N 2 2 365.518 1.126 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082604132 908923614 /nfs/dbraw/zinc/92/36/14/908923614.db2.gz DQTITZDGIBBTCD-XFQXTVEOSA-N 2 2 363.465 1.954 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001082884206 910659923 /nfs/dbraw/zinc/65/99/23/910659923.db2.gz IHPSEEJUMKEDAL-KZULUSFZSA-N 2 2 355.417 1.908 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001082884750 910663897 /nfs/dbraw/zinc/66/38/97/910663897.db2.gz DLRHZIMYBALTQJ-KZULUSFZSA-N 2 2 355.417 1.908 20 30 FDEDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)cc1C#N ZINC001082885003 910665099 /nfs/dbraw/zinc/66/50/99/910665099.db2.gz XSUZBQMLLNLEJL-FZKQIMNGSA-N 2 2 367.453 1.778 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC001084722278 916512482 /nfs/dbraw/zinc/51/24/82/916512482.db2.gz HKMAYKYUCUZEKO-WOJBJXKFSA-N 2 2 368.481 1.313 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC001084722278 916512492 /nfs/dbraw/zinc/51/24/92/916512492.db2.gz HKMAYKYUCUZEKO-WOJBJXKFSA-N 2 2 368.481 1.313 20 30 FDEDLP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084722289 916513114 /nfs/dbraw/zinc/51/31/14/916513114.db2.gz IHVBFXXAKIJSCE-NHCUHLMSSA-N 2 2 367.493 1.293 20 30 FDEDLP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084722289 916513117 /nfs/dbraw/zinc/51/31/17/916513117.db2.gz IHVBFXXAKIJSCE-NHCUHLMSSA-N 2 2 367.493 1.293 20 30 FDEDLP C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001065693440 922442198 /nfs/dbraw/zinc/44/21/98/922442198.db2.gz CWXQJCCDJNVNSB-FGTMMUONSA-N 2 2 362.518 1.038 20 30 FDEDLP C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001065693440 922442202 /nfs/dbraw/zinc/44/22/02/922442202.db2.gz CWXQJCCDJNVNSB-FGTMMUONSA-N 2 2 362.518 1.038 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001085229608 922981722 /nfs/dbraw/zinc/98/17/22/922981722.db2.gz AUEFJCYSQPVZTE-ZACQAIPSSA-N 2 2 370.501 1.297 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001085229608 922981727 /nfs/dbraw/zinc/98/17/27/922981727.db2.gz AUEFJCYSQPVZTE-ZACQAIPSSA-N 2 2 370.501 1.297 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1OC ZINC001085229909 922983629 /nfs/dbraw/zinc/98/36/29/922983629.db2.gz PYEOBCJBBWRGEW-QRVBRYPASA-N 2 2 370.497 1.705 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1OC ZINC001085229909 922983632 /nfs/dbraw/zinc/98/36/32/922983632.db2.gz PYEOBCJBBWRGEW-QRVBRYPASA-N 2 2 370.497 1.705 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC001085229974 922984544 /nfs/dbraw/zinc/98/45/44/922984544.db2.gz UFDVKNSFXZERCX-AQNXPRMDSA-N 2 2 369.513 1.444 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC001085229974 922984551 /nfs/dbraw/zinc/98/45/51/922984551.db2.gz UFDVKNSFXZERCX-AQNXPRMDSA-N 2 2 369.513 1.444 20 30 FDEDLP C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001109674059 930115272 /nfs/dbraw/zinc/11/52/72/930115272.db2.gz YZZSRZRETUPWHP-QYZOEREBSA-N 2 2 368.481 1.280 20 30 FDEDLP C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001109674059 930115280 /nfs/dbraw/zinc/11/52/80/930115280.db2.gz YZZSRZRETUPWHP-QYZOEREBSA-N 2 2 368.481 1.280 20 30 FDEDLP C=C(Br)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771764756 930901197 /nfs/dbraw/zinc/90/11/97/930901197.db2.gz CUERYXSQORHETM-CQSZACIVSA-N 2 2 359.312 1.705 20 30 FDEDLP C=C(Br)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771764756 930901202 /nfs/dbraw/zinc/90/12/02/930901202.db2.gz CUERYXSQORHETM-CQSZACIVSA-N 2 2 359.312 1.705 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038151 940466180 /nfs/dbraw/zinc/46/61/80/940466180.db2.gz BYZPJQRQQXNRDK-KZNAEPCWSA-N 2 2 370.501 1.946 20 30 FDEDLP C#CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000808304753 940539455 /nfs/dbraw/zinc/53/94/55/940539455.db2.gz QYXLFSJHMBCCQB-ZWKOTPCHSA-N 2 2 355.548 1.609 20 30 FDEDLP C#CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000808304753 940539456 /nfs/dbraw/zinc/53/94/56/940539456.db2.gz QYXLFSJHMBCCQB-ZWKOTPCHSA-N 2 2 355.548 1.609 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001131599989 940783639 /nfs/dbraw/zinc/78/36/39/940783639.db2.gz RMKDRUDFVKWIQT-QUCCMNQESA-N 2 2 358.486 1.362 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000817182797 942616049 /nfs/dbraw/zinc/61/60/49/942616049.db2.gz GFWDOGCHWMWAJP-UHFFFAOYSA-N 2 2 356.466 1.907 20 30 FDEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000823169188 945549904 /nfs/dbraw/zinc/54/99/04/945549904.db2.gz WULMWSLGFMLGEF-MOPGFXCFSA-N 2 2 362.518 1.225 20 30 FDEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000823169188 945549907 /nfs/dbraw/zinc/54/99/07/945549907.db2.gz WULMWSLGFMLGEF-MOPGFXCFSA-N 2 2 362.518 1.225 20 30 FDEDLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2ccc(C#N)cn2)CC3)CC1 ZINC001144160886 948305420 /nfs/dbraw/zinc/30/54/20/948305420.db2.gz XFXMOYZWNXLJSG-UHFFFAOYSA-N 2 2 363.469 1.096 20 30 FDEDLP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccc(C#N)cn2)CC3)CC1 ZINC001144160886 948305434 /nfs/dbraw/zinc/30/54/34/948305434.db2.gz XFXMOYZWNXLJSG-UHFFFAOYSA-N 2 2 363.469 1.096 20 30 FDEDLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)[NH+](CC)CC ZINC001196114773 971484633 /nfs/dbraw/zinc/48/46/33/971484633.db2.gz BNWWOINDAJLRRT-IXDOHACOSA-N 2 2 364.515 1.401 20 30 FDEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)[NH+](CC)CC ZINC001196114773 971484641 /nfs/dbraw/zinc/48/46/41/971484641.db2.gz BNWWOINDAJLRRT-IXDOHACOSA-N 2 2 364.515 1.401 20 30 FDEDLP C=C(Br)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001091239963 951133991 /nfs/dbraw/zinc/13/39/91/951133991.db2.gz RFNFQASLVPPQIH-NWINJMCUSA-N 2 2 367.291 1.917 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001087001335 953054646 /nfs/dbraw/zinc/05/46/46/953054646.db2.gz ORULNOYSBJOLOW-JCGIZDLHSA-N 2 2 356.474 1.482 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001087001335 953054655 /nfs/dbraw/zinc/05/46/55/953054655.db2.gz ORULNOYSBJOLOW-JCGIZDLHSA-N 2 2 356.474 1.482 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093472739 958240720 /nfs/dbraw/zinc/24/07/20/958240720.db2.gz MTHMCFUWHZXVLS-DTTOXWODSA-N 2 2 366.893 1.671 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001093476429 958254932 /nfs/dbraw/zinc/25/49/32/958254932.db2.gz AYIAGAARZPBSNR-JYBIWHBTSA-N 2 2 360.502 1.505 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001110392213 965146561 /nfs/dbraw/zinc/14/65/61/965146561.db2.gz DBLCNUAMPZHISU-ZJPYXAASSA-N 2 2 360.502 1.003 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001110392213 965146571 /nfs/dbraw/zinc/14/65/71/965146571.db2.gz DBLCNUAMPZHISU-ZJPYXAASSA-N 2 2 360.502 1.003 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110392213 965146578 /nfs/dbraw/zinc/14/65/78/965146578.db2.gz DBLCNUAMPZHISU-ZJPYXAASSA-N 2 2 360.502 1.003 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110392213 965146585 /nfs/dbraw/zinc/14/65/85/965146585.db2.gz DBLCNUAMPZHISU-ZJPYXAASSA-N 2 2 360.502 1.003 20 30 FDEDLP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852869711 967675593 /nfs/dbraw/zinc/67/55/93/967675593.db2.gz DYKGBXCRCLMTHA-XLIONFOSSA-N 2 2 355.482 1.395 20 30 FDEDLP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852869711 967675596 /nfs/dbraw/zinc/67/55/96/967675596.db2.gz DYKGBXCRCLMTHA-XLIONFOSSA-N 2 2 355.482 1.395 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194251565 970076260 /nfs/dbraw/zinc/07/62/60/970076260.db2.gz PYCLCKIZBANVQB-ATZDWAIDSA-N 2 2 360.502 1.731 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194251565 970076269 /nfs/dbraw/zinc/07/62/69/970076269.db2.gz PYCLCKIZBANVQB-ATZDWAIDSA-N 2 2 360.502 1.731 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194251565 970076272 /nfs/dbraw/zinc/07/62/72/970076272.db2.gz PYCLCKIZBANVQB-ATZDWAIDSA-N 2 2 360.502 1.731 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194251565 970076280 /nfs/dbraw/zinc/07/62/80/970076280.db2.gz PYCLCKIZBANVQB-ATZDWAIDSA-N 2 2 360.502 1.731 20 30 FDEDLP C[NH+]1CCN(c2ccc(CN(CCC#N)CC[NH+]3CCOCC3)cc2)CC1 ZINC000775633273 970654196 /nfs/dbraw/zinc/65/41/96/970654196.db2.gz HNMMOMAWVRUCNP-UHFFFAOYSA-N 2 2 371.529 1.486 20 30 FDEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197947979 972584457 /nfs/dbraw/zinc/58/44/57/972584457.db2.gz BPQMWMFAVNJGOZ-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197947979 972584462 /nfs/dbraw/zinc/58/44/62/972584462.db2.gz BPQMWMFAVNJGOZ-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201437330 975060482 /nfs/dbraw/zinc/06/04/82/975060482.db2.gz CBFGFCVXMJFEEU-RRFJBIMHSA-N 2 2 352.866 1.483 20 30 FDEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001110578762 975279861 /nfs/dbraw/zinc/27/98/61/975279861.db2.gz WMPYGVSJOIZHFZ-MLHJIOFPSA-N 2 2 358.486 1.768 20 30 FDEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001110578762 975279865 /nfs/dbraw/zinc/27/98/65/975279865.db2.gz WMPYGVSJOIZHFZ-MLHJIOFPSA-N 2 2 358.486 1.768 20 30 FDEDLP COc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1C#N ZINC000883372020 982101255 /nfs/dbraw/zinc/10/12/55/982101255.db2.gz ITUSNKKYTANMOT-LJQANCHMSA-N 2 2 358.486 1.453 20 30 FDEDLP CN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370820107 990014309 /nfs/dbraw/zinc/01/43/09/990014309.db2.gz NQIFLYLBTUZLNE-LJQANCHMSA-N 2 2 370.497 1.758 20 30 FDEDLP CN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370820107 990014314 /nfs/dbraw/zinc/01/43/14/990014314.db2.gz NQIFLYLBTUZLNE-LJQANCHMSA-N 2 2 370.497 1.758 20 30 FDEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371664021 990608397 /nfs/dbraw/zinc/60/83/97/990608397.db2.gz OLVGCFSISHLNCB-MJGOQNOKSA-N 2 2 358.486 1.474 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372272370 990990037 /nfs/dbraw/zinc/99/00/37/990990037.db2.gz GZHUSPLYAPMWNT-SFHVURJKSA-N 2 2 351.454 1.908 20 30 FDEDLP C#CC[C@H](COC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000875926634 992199490 /nfs/dbraw/zinc/19/94/90/992199490.db2.gz HVBOMDZZTYYOMX-QGZVFWFLSA-N 2 2 350.507 1.226 20 30 FDEDLP C#CC[C@H](COC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000875926634 992199501 /nfs/dbraw/zinc/19/95/01/992199501.db2.gz HVBOMDZZTYYOMX-QGZVFWFLSA-N 2 2 350.507 1.226 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876283821 992522927 /nfs/dbraw/zinc/52/29/27/992522927.db2.gz FXSJNLOSKATZLF-LJQANCHMSA-N 2 2 369.513 1.693 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876283821 992522934 /nfs/dbraw/zinc/52/29/34/992522934.db2.gz FXSJNLOSKATZLF-LJQANCHMSA-N 2 2 369.513 1.693 20 30 FDEDLP CSc1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000890447854 998947195 /nfs/dbraw/zinc/94/71/95/998947195.db2.gz MYAKRSXYFSFVAX-UHFFFAOYSA-N 2 2 363.531 1.963 20 30 FDEDLP CSc1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000890447854 998947198 /nfs/dbraw/zinc/94/71/98/998947198.db2.gz MYAKRSXYFSFVAX-UHFFFAOYSA-N 2 2 363.531 1.963 20 30 FDEDLP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000949474814 1003375469 /nfs/dbraw/zinc/37/54/69/1003375469.db2.gz NXRSPYGOGCOALH-IAGOWNOFSA-N 2 2 358.486 1.793 20 30 FDEDLP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000949474814 1003375480 /nfs/dbraw/zinc/37/54/80/1003375480.db2.gz NXRSPYGOGCOALH-IAGOWNOFSA-N 2 2 358.486 1.793 20 30 FDEDLP COc1ncc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000932514237 1004996330 /nfs/dbraw/zinc/99/63/30/1004996330.db2.gz PQFBJUASVJYHAU-UHFFFAOYSA-N 2 2 372.473 1.642 20 30 FDEDLP N#CC1(NC(=O)CC[NH+]2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000778447032 1006291280 /nfs/dbraw/zinc/29/12/80/1006291280.db2.gz MSESPOXOBMCSAD-UHFFFAOYSA-N 2 2 356.470 1.383 20 30 FDEDLP C=CCn1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000648351377 1010450549 /nfs/dbraw/zinc/45/05/49/1010450549.db2.gz UTJIPEPVRJUHPB-OALUTQOASA-N 2 2 374.533 1.873 20 30 FDEDLP C=CCn1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000648351377 1010450560 /nfs/dbraw/zinc/45/05/60/1010450560.db2.gz UTJIPEPVRJUHPB-OALUTQOASA-N 2 2 374.533 1.873 20 30 FDEDLP C=CCN(CC=C)C(=O)CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779648044 1010643786 /nfs/dbraw/zinc/64/37/86/1010643786.db2.gz KRAJCNIZIHLLGF-GOSISDBHSA-N 2 2 372.469 1.586 20 30 FDEDLP C=CCN(CC=C)C(=O)CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779648044 1010643796 /nfs/dbraw/zinc/64/37/96/1010643796.db2.gz KRAJCNIZIHLLGF-GOSISDBHSA-N 2 2 372.469 1.586 20 30 FDEDLP N#Cc1ccc(N2CC[NH+](C3CC3)CC2)nc1N1CC[NH+](C2CC2)CC1 ZINC000195213371 178249109 /nfs/dbraw/zinc/24/91/09/178249109.db2.gz VUNYSSXSDWUTOK-UHFFFAOYSA-N 2 2 352.486 1.522 20 30 FDEDLP N#CCC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000543809438 541665022 /nfs/dbraw/zinc/66/50/22/541665022.db2.gz OANNJBHDFVKGAG-UHFFFAOYSA-N 2 2 362.518 1.763 20 30 FDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000077312191 172124121 /nfs/dbraw/zinc/12/41/21/172124121.db2.gz BYXVEEFOUATXCO-GOSISDBHSA-N 2 2 359.470 1.990 20 30 FDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000077312191 172124124 /nfs/dbraw/zinc/12/41/24/172124124.db2.gz BYXVEEFOUATXCO-GOSISDBHSA-N 2 2 359.470 1.990 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377269 174126130 /nfs/dbraw/zinc/12/61/30/174126130.db2.gz RZWJHEQWFHXPIE-INIZCTEOSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377269 174126131 /nfs/dbraw/zinc/12/61/31/174126131.db2.gz RZWJHEQWFHXPIE-INIZCTEOSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377269 174126133 /nfs/dbraw/zinc/12/61/33/174126133.db2.gz RZWJHEQWFHXPIE-INIZCTEOSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377269 174126134 /nfs/dbraw/zinc/12/61/34/174126134.db2.gz RZWJHEQWFHXPIE-INIZCTEOSA-N 2 2 357.502 1.843 20 30 FDEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000558545271 544462805 /nfs/dbraw/zinc/46/28/05/544462805.db2.gz YHNUVGAALIVZJV-UHFFFAOYSA-N 2 2 359.474 1.221 20 30 FDEDLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000331859365 259224963 /nfs/dbraw/zinc/22/49/63/259224963.db2.gz YEOVXROTZQGXLD-SFHVURJKSA-N 2 2 358.511 1.640 20 30 FDEDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000331859365 259224964 /nfs/dbraw/zinc/22/49/64/259224964.db2.gz YEOVXROTZQGXLD-SFHVURJKSA-N 2 2 358.511 1.640 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534338 523098720 /nfs/dbraw/zinc/09/87/20/523098720.db2.gz BWIHUIZUQHVPDP-IBGZPJMESA-N 2 2 371.529 1.497 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534338 523098727 /nfs/dbraw/zinc/09/87/27/523098727.db2.gz BWIHUIZUQHVPDP-IBGZPJMESA-N 2 2 371.529 1.497 20 30 FDEDLP CC[C@H](c1nnc(S[C@H](C)C#N)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000078249395 523541440 /nfs/dbraw/zinc/54/14/40/523541440.db2.gz CNLNCKOINPWWOB-ZIAGYGMSSA-N 2 2 352.508 1.627 20 30 FDEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000172246823 524178692 /nfs/dbraw/zinc/17/86/92/524178692.db2.gz FJKQKWKAVDSEFP-UHFFFAOYSA-N 2 2 370.501 1.064 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000158705297 524512821 /nfs/dbraw/zinc/51/28/21/524512821.db2.gz CVQJFBURINKTAX-UHFFFAOYSA-N 2 2 364.453 1.507 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCC(C(=O)OC)CC1 ZINC000114077722 524742105 /nfs/dbraw/zinc/74/21/05/524742105.db2.gz UJGYBJBAKDIHMV-UHFFFAOYSA-N 2 2 356.430 1.228 20 30 FDEDLP C=C(C)C[NH+]1CCC([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000153019946 525079959 /nfs/dbraw/zinc/07/99/59/525079959.db2.gz VBBOAIPPBFLXMO-UHFFFAOYSA-N 3 2 350.551 1.413 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000097000187 525166330 /nfs/dbraw/zinc/16/63/30/525166330.db2.gz KNMCEKYGZVAWOM-UHFFFAOYSA-N 2 2 350.488 1.205 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000097000187 525166338 /nfs/dbraw/zinc/16/63/38/525166338.db2.gz KNMCEKYGZVAWOM-UHFFFAOYSA-N 2 2 350.488 1.205 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N1CCO[C@H](COC)C1 ZINC000179260926 525550114 /nfs/dbraw/zinc/55/01/14/525550114.db2.gz JSLLQLXDACLEJN-HOCLYGCPSA-N 2 2 366.531 1.417 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N1CCO[C@H](COC)C1 ZINC000179260926 525550120 /nfs/dbraw/zinc/55/01/20/525550120.db2.gz JSLLQLXDACLEJN-HOCLYGCPSA-N 2 2 366.531 1.417 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCO[C@@H](COC)C1 ZINC000179265495 525550500 /nfs/dbraw/zinc/55/05/00/525550500.db2.gz QKFURZYBIJBLAQ-OAHLLOKOSA-N 2 2 361.421 1.434 20 30 FDEDLP Cc1nc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000183787450 536049076 /nfs/dbraw/zinc/04/90/76/536049076.db2.gz UWXMFUSUFSAEOK-UHFFFAOYSA-N 2 2 350.426 1.808 20 30 FDEDLP Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000188956556 536976229 /nfs/dbraw/zinc/97/62/29/536976229.db2.gz GHDCRBYDDYBRMZ-UHFFFAOYSA-N 2 2 371.485 1.290 20 30 FDEDLP Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000188956556 536976233 /nfs/dbraw/zinc/97/62/33/536976233.db2.gz GHDCRBYDDYBRMZ-UHFFFAOYSA-N 2 2 371.485 1.290 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246958455 537058458 /nfs/dbraw/zinc/05/84/58/537058458.db2.gz FZFDTOYDNCQPDD-GUDVDZBRSA-N 2 2 363.550 1.485 20 30 FDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000248928179 537221673 /nfs/dbraw/zinc/22/16/73/537221673.db2.gz XLTBGMWGNLPOEW-KZNAEPCWSA-N 2 2 370.501 1.954 20 30 FDEDLP C[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C(N)=O)([NH+]2CCCCC2)CC1 ZINC000330028323 537650091 /nfs/dbraw/zinc/65/00/91/537650091.db2.gz OICGAVZMJBBBGD-HNNXBMFYSA-N 2 2 351.495 1.850 20 30 FDEDLP Cc1[nH+]c2n(c1CN1CC[NH+](CCC(=O)N(C)CCC#N)CC1)CCCC2 ZINC000371814713 537833142 /nfs/dbraw/zinc/83/31/42/537833142.db2.gz GCRILQWACJQDCS-UHFFFAOYSA-N 2 2 372.517 1.408 20 30 FDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000442862991 538381243 /nfs/dbraw/zinc/38/12/43/538381243.db2.gz WKJUNHNBJNCTTM-IKGGRYGDSA-N 2 2 356.474 1.564 20 30 FDEDLP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)CC1 ZINC000564090725 546803206 /nfs/dbraw/zinc/80/32/06/546803206.db2.gz SUNRAYJXSYIGBS-HXUWFJFHSA-N 2 2 357.502 1.791 20 30 FDEDLP CC[NH+]1CCC([NH+]2CCC(C(=O)N=c3cc(C)n(CCC#N)[nH]3)CC2)CC1 ZINC000570736716 549393194 /nfs/dbraw/zinc/39/31/94/549393194.db2.gz GZEDWKJEQTUHPJ-UHFFFAOYSA-N 2 2 372.517 2.240 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3nc[nH+]c4c3OCCN4)CC2)cc1 ZINC000590573476 551793762 /nfs/dbraw/zinc/79/37/62/551793762.db2.gz XPCXAIJTHOZMKW-UHFFFAOYSA-N 2 2 350.426 1.865 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCCN(c3nc[nH+]c4c3OCCN4)CC2)cc1 ZINC000590573476 551793764 /nfs/dbraw/zinc/79/37/64/551793764.db2.gz XPCXAIJTHOZMKW-UHFFFAOYSA-N 2 2 350.426 1.865 20 30 FDEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000592516544 552004195 /nfs/dbraw/zinc/00/41/95/552004195.db2.gz RGEJVKBRMBLIBW-UHFFFAOYSA-N 2 2 367.501 1.593 20 30 FDEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000592516544 552004196 /nfs/dbraw/zinc/00/41/96/552004196.db2.gz RGEJVKBRMBLIBW-UHFFFAOYSA-N 2 2 367.501 1.593 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000592516544 552004198 /nfs/dbraw/zinc/00/41/98/552004198.db2.gz RGEJVKBRMBLIBW-UHFFFAOYSA-N 2 2 367.501 1.593 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000592516544 552004200 /nfs/dbraw/zinc/00/42/00/552004200.db2.gz RGEJVKBRMBLIBW-UHFFFAOYSA-N 2 2 367.501 1.593 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470731 552568018 /nfs/dbraw/zinc/56/80/18/552568018.db2.gz QYSCZWJGDZDDOJ-WOJBJXKFSA-N 2 2 373.497 1.679 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470731 552568021 /nfs/dbraw/zinc/56/80/21/552568021.db2.gz QYSCZWJGDZDDOJ-WOJBJXKFSA-N 2 2 373.497 1.679 20 30 FDEDLP N#CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000595612232 552592566 /nfs/dbraw/zinc/59/25/66/552592566.db2.gz UFWGISPABJODSJ-SFHVURJKSA-N 2 2 370.497 1.761 20 30 FDEDLP N#CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000595612232 552592568 /nfs/dbraw/zinc/59/25/68/552592568.db2.gz UFWGISPABJODSJ-SFHVURJKSA-N 2 2 370.497 1.761 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000596972933 552730502 /nfs/dbraw/zinc/73/05/02/552730502.db2.gz HLORDDYDMZYBIE-GOSISDBHSA-N 2 2 351.454 1.908 20 30 FDEDLP C[NH+]1CCC(CNC(=O)CC2(C#N)CCOCC2)([NH+]2CCCCC2)CC1 ZINC000597305326 552772422 /nfs/dbraw/zinc/77/24/22/552772422.db2.gz UNTNYYOYRIVRDF-UHFFFAOYSA-N 2 2 362.518 1.763 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000611180981 554613110 /nfs/dbraw/zinc/61/31/10/554613110.db2.gz OKDZQQHJASPASI-FQEVSTJZSA-N 2 2 369.513 1.575 20 30 FDEDLP C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000615231875 555177010 /nfs/dbraw/zinc/17/70/10/555177010.db2.gz IVNIBDDYKDQKGF-HXUWFJFHSA-N 2 2 356.470 1.118 20 30 FDEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615231875 555177011 /nfs/dbraw/zinc/17/70/11/555177011.db2.gz IVNIBDDYKDQKGF-HXUWFJFHSA-N 2 2 356.470 1.118 20 30 FDEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615231875 555177013 /nfs/dbraw/zinc/17/70/13/555177013.db2.gz IVNIBDDYKDQKGF-HXUWFJFHSA-N 2 2 356.470 1.118 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943239 672698881 /nfs/dbraw/zinc/69/88/81/672698881.db2.gz FBIYEYHXZPTNPB-GJZGRUSLSA-N 2 2 358.552 1.191 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943239 672698885 /nfs/dbraw/zinc/69/88/85/672698885.db2.gz FBIYEYHXZPTNPB-GJZGRUSLSA-N 2 2 358.552 1.191 20 30 FDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262766690 672845391 /nfs/dbraw/zinc/84/53/91/672845391.db2.gz GJFHQBRJQXKHLG-UHFFFAOYSA-N 3 2 367.607 1.997 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000328766322 676605942 /nfs/dbraw/zinc/60/59/42/676605942.db2.gz FGNUGCKFMGXXMK-ARFHVFGLSA-N 2 2 352.479 1.350 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000328766322 676605944 /nfs/dbraw/zinc/60/59/44/676605944.db2.gz FGNUGCKFMGXXMK-ARFHVFGLSA-N 2 2 352.479 1.350 20 30 FDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000328766322 676605945 /nfs/dbraw/zinc/60/59/45/676605945.db2.gz FGNUGCKFMGXXMK-ARFHVFGLSA-N 2 2 352.479 1.350 20 30 FDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000328766322 676605948 /nfs/dbraw/zinc/60/59/48/676605948.db2.gz FGNUGCKFMGXXMK-ARFHVFGLSA-N 2 2 352.479 1.350 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001022733837 782765218 /nfs/dbraw/zinc/76/52/18/782765218.db2.gz BJIXWAIDMVXBAL-YYIAUSFCSA-N 2 2 367.428 1.971 20 30 FDEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083193228 771089876 /nfs/dbraw/zinc/08/98/76/771089876.db2.gz HLYKJWRVIONFFI-LSTHTHJFSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083193228 771089891 /nfs/dbraw/zinc/08/98/91/771089891.db2.gz HLYKJWRVIONFFI-LSTHTHJFSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083193228 771089892 /nfs/dbraw/zinc/08/98/92/771089892.db2.gz HLYKJWRVIONFFI-LSTHTHJFSA-N 2 2 368.481 1.454 20 30 FDEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C2 ZINC001112493031 773747453 /nfs/dbraw/zinc/74/74/53/773747453.db2.gz MSHGIKHVRADJBT-ZJOUEHCJSA-N 2 2 361.530 1.892 20 30 FDEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C2 ZINC001112493031 773747459 /nfs/dbraw/zinc/74/74/59/773747459.db2.gz MSHGIKHVRADJBT-ZJOUEHCJSA-N 2 2 361.530 1.892 20 30 FDEDLP C#CC[NH+]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2C[N@H+](CCC)C3)C1 ZINC000891608145 778476211 /nfs/dbraw/zinc/47/62/11/778476211.db2.gz XCIMVHLRZMBJMU-KRWDZBQOSA-N 2 2 368.481 1.565 20 30 FDEDLP C#CC[NH+]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2C[N@@H+](CCC)C3)C1 ZINC000891608145 778476215 /nfs/dbraw/zinc/47/62/15/778476215.db2.gz XCIMVHLRZMBJMU-KRWDZBQOSA-N 2 2 368.481 1.565 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2C[NH+](CCC)C3)C1 ZINC000891608145 778476217 /nfs/dbraw/zinc/47/62/17/778476217.db2.gz XCIMVHLRZMBJMU-KRWDZBQOSA-N 2 2 368.481 1.565 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2C[NH+](CCC)C3)C1 ZINC000891608145 778476220 /nfs/dbraw/zinc/47/62/20/778476220.db2.gz XCIMVHLRZMBJMU-KRWDZBQOSA-N 2 2 368.481 1.565 20 30 FDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1F ZINC001022228551 778776852 /nfs/dbraw/zinc/77/68/52/778776852.db2.gz IBAXIZBYBXOOTI-QKPAOTATSA-N 2 2 353.401 1.961 20 30 FDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1F ZINC001022228551 778776856 /nfs/dbraw/zinc/77/68/56/778776856.db2.gz IBAXIZBYBXOOTI-QKPAOTATSA-N 2 2 353.401 1.961 20 30 FDEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001022230033 778783081 /nfs/dbraw/zinc/78/30/81/778783081.db2.gz OSPVFGWTINPLBY-QKPAOTATSA-N 2 2 353.401 1.961 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)cc1 ZINC000892477732 784965407 /nfs/dbraw/zinc/96/54/07/784965407.db2.gz XSPBYWZPCAINHC-UHFFFAOYSA-N 2 2 353.470 1.752 20 30 FDEDLP C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376448776 787835418 /nfs/dbraw/zinc/83/54/18/787835418.db2.gz KDEPDMWBXGZNLW-CYBMUJFWSA-N 2 2 358.446 1.653 20 30 FDEDLP C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376448776 787835426 /nfs/dbraw/zinc/83/54/26/787835426.db2.gz KDEPDMWBXGZNLW-CYBMUJFWSA-N 2 2 358.446 1.653 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CC#Cc3ccccc3)CC2(C)C)O1 ZINC000974758183 800229031 /nfs/dbraw/zinc/22/90/31/800229031.db2.gz UXWDWTLTBBLPHK-RLLQIKCJSA-N 2 2 369.509 1.584 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CC#Cc3ccccc3)CC2(C)C)O1 ZINC000974758183 800229035 /nfs/dbraw/zinc/22/90/35/800229035.db2.gz UXWDWTLTBBLPHK-RLLQIKCJSA-N 2 2 369.509 1.584 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC2(C)C)O1 ZINC000974758183 800229036 /nfs/dbraw/zinc/22/90/36/800229036.db2.gz UXWDWTLTBBLPHK-RLLQIKCJSA-N 2 2 369.509 1.584 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC2(C)C)O1 ZINC000974758183 800229039 /nfs/dbraw/zinc/22/90/39/800229039.db2.gz UXWDWTLTBBLPHK-RLLQIKCJSA-N 2 2 369.509 1.584 20 30 FDEDLP C=CC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)(C)C ZINC000661759750 804822889 /nfs/dbraw/zinc/82/28/89/804822889.db2.gz KFCLSSJWBAJUSO-UHFFFAOYSA-N 2 2 371.489 1.298 20 30 FDEDLP C=CC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)(C)C ZINC000661759750 804822895 /nfs/dbraw/zinc/82/28/95/804822895.db2.gz KFCLSSJWBAJUSO-UHFFFAOYSA-N 2 2 371.489 1.298 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)c1 ZINC000978295536 805346268 /nfs/dbraw/zinc/34/62/68/805346268.db2.gz SIHGYYBZSCTIBK-NNIGNNQHSA-N 2 2 361.449 1.879 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)c1 ZINC000978295536 805346277 /nfs/dbraw/zinc/34/62/77/805346277.db2.gz SIHGYYBZSCTIBK-NNIGNNQHSA-N 2 2 361.449 1.879 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)c1 ZINC000978295536 805346284 /nfs/dbraw/zinc/34/62/84/805346284.db2.gz SIHGYYBZSCTIBK-NNIGNNQHSA-N 2 2 361.449 1.879 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)c1 ZINC000978295536 805346294 /nfs/dbraw/zinc/34/62/94/805346294.db2.gz SIHGYYBZSCTIBK-NNIGNNQHSA-N 2 2 361.449 1.879 20 30 FDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000516762942 816995705 /nfs/dbraw/zinc/99/57/05/816995705.db2.gz ZONCTFOARJWYHN-NRFANRHFSA-N 2 2 371.529 1.837 20 30 FDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000516762942 816995708 /nfs/dbraw/zinc/99/57/08/816995708.db2.gz ZONCTFOARJWYHN-NRFANRHFSA-N 2 2 371.529 1.837 20 30 FDEDLP C[NH+]=C(NC[C@H](c1cccc(OC)c1)[NH+](C)C)N1CC[C@]2(CCOC2)C1 ZINC000261984684 817910272 /nfs/dbraw/zinc/91/02/72/817910272.db2.gz PRYKEOVVRCWWHA-QUCCMNQESA-N 2 2 360.502 1.986 20 30 FDEDLP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087475165 818298896 /nfs/dbraw/zinc/29/88/96/818298896.db2.gz UIFWDSZHRZJUAB-PMACEKPBSA-N 2 2 366.465 1.808 20 30 FDEDLP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087475165 818298908 /nfs/dbraw/zinc/29/89/08/818298908.db2.gz UIFWDSZHRZJUAB-PMACEKPBSA-N 2 2 366.465 1.808 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(F)cc4n[nH]nc43)CC2)CC1 ZINC000328656793 819524790 /nfs/dbraw/zinc/52/47/90/819524790.db2.gz OEIMFOOGPLADCN-UHFFFAOYSA-N 2 2 360.437 1.960 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668065 821968737 /nfs/dbraw/zinc/96/87/37/821968737.db2.gz AOQVWSPZEADQBF-HCXYKTFWSA-N 2 2 365.518 1.411 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668065 821968740 /nfs/dbraw/zinc/96/87/40/821968740.db2.gz AOQVWSPZEADQBF-HCXYKTFWSA-N 2 2 365.518 1.411 20 30 FDEDLP Cc1cc(C)c(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000329092244 824576414 /nfs/dbraw/zinc/57/64/14/824576414.db2.gz ACCFKQNEXSBTTQ-UHFFFAOYSA-N 2 2 363.506 1.776 20 30 FDEDLP Cc1cc(C)c(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000329092244 824576417 /nfs/dbraw/zinc/57/64/17/824576417.db2.gz ACCFKQNEXSBTTQ-UHFFFAOYSA-N 2 2 363.506 1.776 20 30 FDEDLP C[NH+]1CCC(CNC(=O)c2cnc3n[nH]nc3c2)([NH+]2CCCCC2)CC1 ZINC000329449474 824795963 /nfs/dbraw/zinc/79/59/63/824795963.db2.gz OMDDXCQJSYDHJA-UHFFFAOYSA-N 2 2 357.462 1.608 20 30 FDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000330239675 825751032 /nfs/dbraw/zinc/75/10/32/825751032.db2.gz BFCSPQIGQZXNAC-QGZVFWFLSA-N 2 2 361.490 1.546 20 30 FDEDLP Cc1ccc([C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)[NH+]2CCCC2)cc1 ZINC000303906412 827942140 /nfs/dbraw/zinc/94/21/40/827942140.db2.gz ZYIBGFKRDNDTPH-HXUWFJFHSA-N 3 2 373.545 1.759 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088619374 837404868 /nfs/dbraw/zinc/40/48/68/837404868.db2.gz JSQCOPWYTJIJQI-HYVNUMGLSA-N 2 2 355.910 1.961 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088619374 837404876 /nfs/dbraw/zinc/40/48/76/837404876.db2.gz JSQCOPWYTJIJQI-HYVNUMGLSA-N 2 2 355.910 1.961 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088619374 837404884 /nfs/dbraw/zinc/40/48/84/837404884.db2.gz JSQCOPWYTJIJQI-HYVNUMGLSA-N 2 2 355.910 1.961 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088619374 837404891 /nfs/dbraw/zinc/40/48/91/837404891.db2.gz JSQCOPWYTJIJQI-HYVNUMGLSA-N 2 2 355.910 1.961 20 30 FDEDLP CC[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262799202 831500455 /nfs/dbraw/zinc/50/04/55/831500455.db2.gz QITOCGANMRZTLE-ARFHVFGLSA-N 2 2 362.522 1.745 20 30 FDEDLP C[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179226737 836767172 /nfs/dbraw/zinc/76/71/72/836767172.db2.gz CUEHNAPXOLLCCF-IRXDYDNUSA-N 2 2 362.522 1.452 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cn(C(C)C)nc2C)[C@@H]1C ZINC001088631301 838604331 /nfs/dbraw/zinc/60/43/31/838604331.db2.gz DFKFSLCNCUZDTO-HOJAQTOUSA-N 2 2 371.529 1.949 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cn(C(C)C)nc2C)[C@@H]1C ZINC001088631301 838604338 /nfs/dbraw/zinc/60/43/38/838604338.db2.gz DFKFSLCNCUZDTO-HOJAQTOUSA-N 2 2 371.529 1.949 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cn(C(C)C)nc2C)[C@@H]1C ZINC001088631301 838604345 /nfs/dbraw/zinc/60/43/45/838604345.db2.gz DFKFSLCNCUZDTO-HOJAQTOUSA-N 2 2 371.529 1.949 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cn(C(C)C)nc2C)[C@@H]1C ZINC001088631301 838604356 /nfs/dbraw/zinc/60/43/56/838604356.db2.gz DFKFSLCNCUZDTO-HOJAQTOUSA-N 2 2 371.529 1.949 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCOCC2)[C@@H]1C ZINC001088631489 838605819 /nfs/dbraw/zinc/60/58/19/838605819.db2.gz NKAHOJZKNYGIKK-HOJAQTOUSA-N 2 2 361.530 1.870 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCOCC2)[C@@H]1C ZINC001088631489 838605822 /nfs/dbraw/zinc/60/58/22/838605822.db2.gz NKAHOJZKNYGIKK-HOJAQTOUSA-N 2 2 361.530 1.870 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCOCC2)[C@@H]1C ZINC001088631489 838605825 /nfs/dbraw/zinc/60/58/25/838605825.db2.gz NKAHOJZKNYGIKK-HOJAQTOUSA-N 2 2 361.530 1.870 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCOCC2)[C@@H]1C ZINC001088631489 838605828 /nfs/dbraw/zinc/60/58/28/838605828.db2.gz NKAHOJZKNYGIKK-HOJAQTOUSA-N 2 2 361.530 1.870 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088659094 839464985 /nfs/dbraw/zinc/46/49/85/839464985.db2.gz IDBZLSCPJDBCSO-IZBJGVDFSA-N 2 2 355.482 1.336 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088659094 839464988 /nfs/dbraw/zinc/46/49/88/839464988.db2.gz IDBZLSCPJDBCSO-IZBJGVDFSA-N 2 2 355.482 1.336 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CC#Cc1ccccc1 ZINC001088659094 839464993 /nfs/dbraw/zinc/46/49/93/839464993.db2.gz IDBZLSCPJDBCSO-IZBJGVDFSA-N 2 2 355.482 1.336 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CC#Cc1ccccc1 ZINC001088659094 839464995 /nfs/dbraw/zinc/46/49/95/839464995.db2.gz IDBZLSCPJDBCSO-IZBJGVDFSA-N 2 2 355.482 1.336 20 30 FDEDLP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)cn2)CC1 ZINC000897602833 839921642 /nfs/dbraw/zinc/92/16/42/839921642.db2.gz WVSHKNQCXJXUJA-UHFFFAOYSA-N 2 2 357.458 1.066 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105637876 842274779 /nfs/dbraw/zinc/27/47/79/842274779.db2.gz WTWIKJYORWSONG-JYBIWHBTSA-N 2 2 358.486 1.332 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105637876 842274791 /nfs/dbraw/zinc/27/47/91/842274791.db2.gz WTWIKJYORWSONG-JYBIWHBTSA-N 2 2 358.486 1.332 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105666699 843293930 /nfs/dbraw/zinc/29/39/30/843293930.db2.gz ILTYPMHQKBOYON-SMOSDQRPSA-N 2 2 360.502 1.885 20 30 FDEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083505564 844922699 /nfs/dbraw/zinc/92/26/99/844922699.db2.gz SWJCJCJSRUHAHT-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083505564 844922701 /nfs/dbraw/zinc/92/27/01/844922701.db2.gz SWJCJCJSRUHAHT-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083505564 844922704 /nfs/dbraw/zinc/92/27/04/844922704.db2.gz SWJCJCJSRUHAHT-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083505564 844922709 /nfs/dbraw/zinc/92/27/09/844922709.db2.gz SWJCJCJSRUHAHT-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673771 845425063 /nfs/dbraw/zinc/42/50/63/845425063.db2.gz OVLYPWRFHADLOH-LFGUQSLTSA-N 2 2 360.502 1.815 20 30 FDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990743445 845493573 /nfs/dbraw/zinc/49/35/73/845493573.db2.gz RTRAGLUWFDQGNE-DCXXXQMHSA-N 2 2 352.482 1.900 20 30 FDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990743445 845493577 /nfs/dbraw/zinc/49/35/77/845493577.db2.gz RTRAGLUWFDQGNE-DCXXXQMHSA-N 2 2 352.482 1.900 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1O ZINC001077158450 849952162 /nfs/dbraw/zinc/95/21/62/849952162.db2.gz GJYCVVISNUHTHU-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@H]1O ZINC001077158450 849952166 /nfs/dbraw/zinc/95/21/66/849952166.db2.gz GJYCVVISNUHTHU-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)cccc2C)C[C@H]1O ZINC001077158450 849952170 /nfs/dbraw/zinc/95/21/70/849952170.db2.gz GJYCVVISNUHTHU-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)cccc2C)C[C@H]1O ZINC001077158450 849952173 /nfs/dbraw/zinc/95/21/73/849952173.db2.gz GJYCVVISNUHTHU-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)c1 ZINC001083644711 858463311 /nfs/dbraw/zinc/46/33/11/858463311.db2.gz RYSHPHATNHATTE-MOPGFXCFSA-N 2 2 361.405 1.181 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)c1 ZINC001083644711 858463313 /nfs/dbraw/zinc/46/33/13/858463313.db2.gz RYSHPHATNHATTE-MOPGFXCFSA-N 2 2 361.405 1.181 20 30 FDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991976044 866694025 /nfs/dbraw/zinc/69/40/25/866694025.db2.gz QFXHMRCDOCFHSG-DOADOZAASA-N 2 2 363.502 1.165 20 30 FDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991976044 866694029 /nfs/dbraw/zinc/69/40/29/866694029.db2.gz QFXHMRCDOCFHSG-DOADOZAASA-N 2 2 363.502 1.165 20 30 FDEDLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083719485 873546571 /nfs/dbraw/zinc/54/65/71/873546571.db2.gz FZURDEMBYHUEBO-HBMCJLEFSA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083719485 873546578 /nfs/dbraw/zinc/54/65/78/873546578.db2.gz FZURDEMBYHUEBO-HBMCJLEFSA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083719485 873546594 /nfs/dbraw/zinc/54/65/94/873546594.db2.gz FZURDEMBYHUEBO-HBMCJLEFSA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083719485 873546603 /nfs/dbraw/zinc/54/66/03/873546603.db2.gz FZURDEMBYHUEBO-HBMCJLEFSA-N 2 2 369.509 1.321 20 30 FDEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083825583 878682166 /nfs/dbraw/zinc/68/21/66/878682166.db2.gz AGWHOXSQNPHJOB-MSOLQXFVSA-N 2 2 367.453 1.240 20 30 FDEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083825583 878682178 /nfs/dbraw/zinc/68/21/78/878682178.db2.gz AGWHOXSQNPHJOB-MSOLQXFVSA-N 2 2 367.453 1.240 20 30 FDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001034697734 884825176 /nfs/dbraw/zinc/82/51/76/884825176.db2.gz UCZDJKNTCNDNCW-TVFCKZIOSA-N 2 2 351.491 1.069 20 30 FDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516890 886109803 /nfs/dbraw/zinc/10/98/03/886109803.db2.gz LTWUBEQMUIZECU-AQNXPRMDSA-N 2 2 357.498 1.725 20 30 FDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516890 886109815 /nfs/dbraw/zinc/10/98/15/886109815.db2.gz LTWUBEQMUIZECU-AQNXPRMDSA-N 2 2 357.498 1.725 20 30 FDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516890 886109820 /nfs/dbraw/zinc/10/98/20/886109820.db2.gz LTWUBEQMUIZECU-AQNXPRMDSA-N 2 2 357.498 1.725 20 30 FDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516890 886109830 /nfs/dbraw/zinc/10/98/30/886109830.db2.gz LTWUBEQMUIZECU-AQNXPRMDSA-N 2 2 357.498 1.725 20 30 FDEDLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001127547358 887270230 /nfs/dbraw/zinc/27/02/30/887270230.db2.gz JNAWCLVHJCNYIT-RHSMWYFYSA-N 2 2 369.494 1.993 20 30 FDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999770346 913257274 /nfs/dbraw/zinc/25/72/74/913257274.db2.gz LFVIAXZBEDGYTF-KSZLIROESA-N 2 2 351.491 1.023 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129312629 901275310 /nfs/dbraw/zinc/27/53/10/901275310.db2.gz JLRRBVGFYSCWBZ-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129312629 901275324 /nfs/dbraw/zinc/27/53/24/901275324.db2.gz JLRRBVGFYSCWBZ-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129312629 901275336 /nfs/dbraw/zinc/27/53/36/901275336.db2.gz JLRRBVGFYSCWBZ-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129312629 901275343 /nfs/dbraw/zinc/27/53/43/901275343.db2.gz JLRRBVGFYSCWBZ-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248340 902264084 /nfs/dbraw/zinc/26/40/84/902264084.db2.gz UUFHHVXRULLJAJ-YTQUADARSA-N 2 2 370.497 1.571 20 30 FDEDLP C=CCC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079254765 902282402 /nfs/dbraw/zinc/28/24/02/902282402.db2.gz UIVLDBZNWRHTOG-ZWKOTPCHSA-N 2 2 358.486 1.789 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079991099 903815944 /nfs/dbraw/zinc/81/59/44/903815944.db2.gz WAATUEGQUVPEHQ-ATZDWAIDSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079991099 903815957 /nfs/dbraw/zinc/81/59/57/903815957.db2.gz WAATUEGQUVPEHQ-ATZDWAIDSA-N 2 2 363.465 1.954 20 30 FDEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)CCC[C@@H]12 ZINC001107525519 905371147 /nfs/dbraw/zinc/37/11/47/905371147.db2.gz HRAYAJYQSUEZBJ-YQVWRLOYSA-N 2 2 359.474 1.004 20 30 FDEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)CCC[C@@H]12 ZINC001107525519 905371162 /nfs/dbraw/zinc/37/11/62/905371162.db2.gz HRAYAJYQSUEZBJ-YQVWRLOYSA-N 2 2 359.474 1.004 20 30 FDEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)CCC[C@@H]12 ZINC001107525519 905371177 /nfs/dbraw/zinc/37/11/77/905371177.db2.gz HRAYAJYQSUEZBJ-YQVWRLOYSA-N 2 2 359.474 1.004 20 30 FDEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)CCC[C@@H]12 ZINC001107525519 905371191 /nfs/dbraw/zinc/37/11/91/905371191.db2.gz HRAYAJYQSUEZBJ-YQVWRLOYSA-N 2 2 359.474 1.004 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3snnc3C)C[C@H]2C)CC1 ZINC001080997358 906969763 /nfs/dbraw/zinc/96/97/63/906969763.db2.gz AHWMKFBXHQYPGA-CZUORRHYSA-N 2 2 361.515 1.128 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3snnc3C)C[C@H]2C)CC1 ZINC001080997358 906969766 /nfs/dbraw/zinc/96/97/66/906969766.db2.gz AHWMKFBXHQYPGA-CZUORRHYSA-N 2 2 361.515 1.128 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082492607 908013378 /nfs/dbraw/zinc/01/33/78/908013378.db2.gz CCHIIOCIWPMIFP-CXAGYDPISA-N 2 2 355.417 1.990 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082658968 909428636 /nfs/dbraw/zinc/42/86/36/909428636.db2.gz LFFDNUDRNMUFEW-CRAIPNDOSA-N 2 2 351.454 1.861 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082861046 910468758 /nfs/dbraw/zinc/46/87/58/910468758.db2.gz CXDMEJCKZGFITH-FZKQIMNGSA-N 2 2 355.417 1.610 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001082884511 910661868 /nfs/dbraw/zinc/66/18/68/910661868.db2.gz XDOSDRAYKLUTTC-KZULUSFZSA-N 2 2 355.417 1.908 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000730097664 916118417 /nfs/dbraw/zinc/11/84/17/916118417.db2.gz GCZMDGCPESMMEC-MSOLQXFVSA-N 2 2 354.454 1.172 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000730097664 916118422 /nfs/dbraw/zinc/11/84/22/916118422.db2.gz GCZMDGCPESMMEC-MSOLQXFVSA-N 2 2 354.454 1.172 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000730097664 916118433 /nfs/dbraw/zinc/11/84/33/916118433.db2.gz GCZMDGCPESMMEC-MSOLQXFVSA-N 2 2 354.454 1.172 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000730097664 916118444 /nfs/dbraw/zinc/11/84/44/916118444.db2.gz GCZMDGCPESMMEC-MSOLQXFVSA-N 2 2 354.454 1.172 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cncc(F)c4)C[C@H]32)CC1 ZINC001084851035 917659068 /nfs/dbraw/zinc/65/90/68/917659068.db2.gz JXQMBSFERMVJAM-UYAOXDASSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cncc(F)c4)C[C@H]32)CC1 ZINC001084851035 917659073 /nfs/dbraw/zinc/65/90/73/917659073.db2.gz JXQMBSFERMVJAM-UYAOXDASSA-N 2 2 370.472 1.599 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016636 919681748 /nfs/dbraw/zinc/68/17/48/919681748.db2.gz CIAKCFWEHZEPFI-IKGGRYGDSA-N 2 2 355.910 1.771 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016636 919681760 /nfs/dbraw/zinc/68/17/60/919681760.db2.gz CIAKCFWEHZEPFI-IKGGRYGDSA-N 2 2 355.910 1.771 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016636 919681766 /nfs/dbraw/zinc/68/17/66/919681766.db2.gz CIAKCFWEHZEPFI-IKGGRYGDSA-N 2 2 355.910 1.771 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016636 919681773 /nfs/dbraw/zinc/68/17/73/919681773.db2.gz CIAKCFWEHZEPFI-IKGGRYGDSA-N 2 2 355.910 1.771 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109561970 929779661 /nfs/dbraw/zinc/77/96/61/929779661.db2.gz WQIAVYICSQCSKO-QYZOEREBSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109561970 929779663 /nfs/dbraw/zinc/77/96/63/929779663.db2.gz WQIAVYICSQCSKO-QYZOEREBSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109561970 929779665 /nfs/dbraw/zinc/77/96/65/929779665.db2.gz WQIAVYICSQCSKO-QYZOEREBSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109561970 929779668 /nfs/dbraw/zinc/77/96/68/929779668.db2.gz WQIAVYICSQCSKO-QYZOEREBSA-N 2 2 374.529 1.112 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724384 930227345 /nfs/dbraw/zinc/22/73/45/930227345.db2.gz PUJXKHYWYRKIQC-YVSFHVDLSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724384 930227350 /nfs/dbraw/zinc/22/73/50/930227350.db2.gz PUJXKHYWYRKIQC-YVSFHVDLSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109724384 930227355 /nfs/dbraw/zinc/22/73/55/930227355.db2.gz PUJXKHYWYRKIQC-YVSFHVDLSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109724384 930227358 /nfs/dbraw/zinc/22/73/58/930227358.db2.gz PUJXKHYWYRKIQC-YVSFHVDLSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412799 938408484 /nfs/dbraw/zinc/40/84/84/938408484.db2.gz XHPYFAJQFSKRKD-NXHRZFHOSA-N 2 2 371.489 1.341 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412799 938408489 /nfs/dbraw/zinc/40/84/89/938408489.db2.gz XHPYFAJQFSKRKD-NXHRZFHOSA-N 2 2 371.489 1.341 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129403558 938416710 /nfs/dbraw/zinc/41/67/10/938416710.db2.gz CQIDNWBGODGGPJ-XYPHTWIQSA-N 2 2 357.462 1.249 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129403558 938416711 /nfs/dbraw/zinc/41/67/11/938416711.db2.gz CQIDNWBGODGGPJ-XYPHTWIQSA-N 2 2 357.462 1.249 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001130973172 940384131 /nfs/dbraw/zinc/38/41/31/940384131.db2.gz SSDADZUNOSQAGH-HZPDHXFCSA-N 2 2 356.474 1.626 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cncn1C ZINC001131070441 940484620 /nfs/dbraw/zinc/48/46/20/940484620.db2.gz VPUXOADCJRKJDC-BFYDXBDKSA-N 2 2 366.469 1.171 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131079218 940491936 /nfs/dbraw/zinc/49/19/36/940491936.db2.gz GNLBBPYUQBUUHQ-GVDBMIGSSA-N 2 2 354.458 1.175 20 30 FDEDLP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001131533532 940704387 /nfs/dbraw/zinc/70/43/87/940704387.db2.gz KGWZVBXHCIEAKH-XLIONFOSSA-N 2 2 360.502 1.915 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001134049320 941537401 /nfs/dbraw/zinc/53/74/01/941537401.db2.gz BLQMTWVUFCJQPW-IAGOWNOFSA-N 2 2 356.857 1.935 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001092689933 956197602 /nfs/dbraw/zinc/19/76/02/956197602.db2.gz STXZLLNCTUCHAP-NXHRZFHOSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001092689933 956197609 /nfs/dbraw/zinc/19/76/09/956197609.db2.gz STXZLLNCTUCHAP-NXHRZFHOSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001092689933 956197611 /nfs/dbraw/zinc/19/76/11/956197611.db2.gz STXZLLNCTUCHAP-NXHRZFHOSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ncc(C3CC3)o2)C[C@H]1C ZINC001092689933 956197617 /nfs/dbraw/zinc/19/76/17/956197617.db2.gz STXZLLNCTUCHAP-NXHRZFHOSA-N 2 2 370.497 1.834 20 30 FDEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171879701 961357651 /nfs/dbraw/zinc/35/76/51/961357651.db2.gz TVFKAQVQNAMQSF-OTWHNJEPSA-N 2 2 367.534 1.707 20 30 FDEDLP C[C@@H](CCCC#N)[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001172493781 961686586 /nfs/dbraw/zinc/68/65/86/961686586.db2.gz CSTYBWRHGIZUCP-WMZOPIPTSA-N 2 2 360.506 1.909 20 30 FDEDLP C[C@@H](CCCC#N)[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001172493781 961686592 /nfs/dbraw/zinc/68/65/92/961686592.db2.gz CSTYBWRHGIZUCP-WMZOPIPTSA-N 2 2 360.506 1.909 20 30 FDEDLP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179097673 964718378 /nfs/dbraw/zinc/71/83/78/964718378.db2.gz NTNAXAJTNJNDIK-MSOLQXFVSA-N 2 2 353.507 1.318 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181796 966808054 /nfs/dbraw/zinc/80/80/54/966808054.db2.gz JJSGOQSUZBVYNZ-IXDOHACOSA-N 2 2 355.910 1.773 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181796 966808060 /nfs/dbraw/zinc/80/80/60/966808060.db2.gz JJSGOQSUZBVYNZ-IXDOHACOSA-N 2 2 355.910 1.773 20 30 FDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000852360390 967250288 /nfs/dbraw/zinc/25/02/88/967250288.db2.gz XXFDAEGTMNBDNH-HXUWFJFHSA-N 2 2 371.529 1.057 20 30 FDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000852360390 967250295 /nfs/dbraw/zinc/25/02/95/967250295.db2.gz XXFDAEGTMNBDNH-HXUWFJFHSA-N 2 2 371.529 1.057 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CN(C)CC[NH+]1Cc1ccccc1 ZINC000852360390 967250305 /nfs/dbraw/zinc/25/03/05/967250305.db2.gz XXFDAEGTMNBDNH-HXUWFJFHSA-N 2 2 371.529 1.057 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CN(C)CC[NH+]1Cc1ccccc1 ZINC000852360390 967250315 /nfs/dbraw/zinc/25/03/15/967250315.db2.gz XXFDAEGTMNBDNH-HXUWFJFHSA-N 2 2 371.529 1.057 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)[NH+](C)C ZINC001194085873 969994503 /nfs/dbraw/zinc/99/45/03/969994503.db2.gz KWZSNONZEAUZAS-KZNAEPCWSA-N 2 2 363.889 1.193 20 30 FDEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001197950445 972590123 /nfs/dbraw/zinc/59/01/23/972590123.db2.gz ZSLCWALMXOZLRL-RTBURBONSA-N 2 2 361.461 1.070 20 30 FDEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001197950445 972590127 /nfs/dbraw/zinc/59/01/27/972590127.db2.gz ZSLCWALMXOZLRL-RTBURBONSA-N 2 2 361.461 1.070 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001110578742 975279295 /nfs/dbraw/zinc/27/92/95/975279295.db2.gz VQMQMNGJNZOEGX-KURKYZTESA-N 2 2 358.486 1.686 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001110578742 975279302 /nfs/dbraw/zinc/27/93/02/975279302.db2.gz VQMQMNGJNZOEGX-KURKYZTESA-N 2 2 358.486 1.686 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000866665978 975887535 /nfs/dbraw/zinc/88/75/35/975887535.db2.gz JRLWOXCHHRKZOB-QRVBRYPASA-N 2 2 357.454 1.991 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000867955801 977138872 /nfs/dbraw/zinc/13/88/72/977138872.db2.gz HDUSDGZBOGXZJX-UFYCRDLUSA-N 2 2 368.481 1.505 20 30 FDEDLP C=CCC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCO1 ZINC000883205216 982013140 /nfs/dbraw/zinc/01/31/40/982013140.db2.gz RKKXONKTMZAJQM-BZSNNMDCSA-N 2 2 351.491 1.023 20 30 FDEDLP C[N@H+](CCc1cccc(C#N)c1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000872705748 987993392 /nfs/dbraw/zinc/99/33/92/987993392.db2.gz XWBGDTVEEANOCV-HXUWFJFHSA-N 2 2 354.454 1.907 20 30 FDEDLP C[N@@H+](CCc1cccc(C#N)c1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000872705748 987993398 /nfs/dbraw/zinc/99/33/98/987993398.db2.gz XWBGDTVEEANOCV-HXUWFJFHSA-N 2 2 354.454 1.907 20 30 FDEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)[nH+]1 ZINC000369513488 989057608 /nfs/dbraw/zinc/05/76/08/989057608.db2.gz YUZODPZSEPGYRG-QGZVFWFLSA-N 2 2 354.458 1.922 20 30 FDEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)[nH+]1 ZINC000369513488 989057612 /nfs/dbraw/zinc/05/76/12/989057612.db2.gz YUZODPZSEPGYRG-QGZVFWFLSA-N 2 2 354.458 1.922 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)CC1 ZINC000370692892 989935672 /nfs/dbraw/zinc/93/56/72/989935672.db2.gz VULAEBPPHMOTMA-UHFFFAOYSA-N 2 2 374.533 1.133 20 30 FDEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371664020 990608136 /nfs/dbraw/zinc/60/81/36/990608136.db2.gz OLVGCFSISHLNCB-IEBWSBKVSA-N 2 2 358.486 1.474 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372369655 991049061 /nfs/dbraw/zinc/04/90/61/991049061.db2.gz NJGQCIHADRNXRT-PKOBYXMFSA-N 2 2 369.513 1.845 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372369655 991049078 /nfs/dbraw/zinc/04/90/78/991049078.db2.gz NJGQCIHADRNXRT-PKOBYXMFSA-N 2 2 369.513 1.845 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000286698253 999946373 /nfs/dbraw/zinc/94/63/73/999946373.db2.gz PTHAKDAADXZLGF-RDJZCZTQSA-N 2 2 359.474 1.059 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949080 1001646031 /nfs/dbraw/zinc/64/60/31/1001646031.db2.gz XLWHLJACSYRCJR-RWQQGDIJSA-N 2 2 356.470 1.125 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949080 1001646035 /nfs/dbraw/zinc/64/60/35/1001646035.db2.gz XLWHLJACSYRCJR-RWQQGDIJSA-N 2 2 356.470 1.125 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111028256 1004852241 /nfs/dbraw/zinc/85/22/41/1004852241.db2.gz PUJXKHYWYRKIQC-VQHPVUNQSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111028256 1004852248 /nfs/dbraw/zinc/85/22/48/1004852248.db2.gz PUJXKHYWYRKIQC-VQHPVUNQSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111028256 1004852258 /nfs/dbraw/zinc/85/22/58/1004852258.db2.gz PUJXKHYWYRKIQC-VQHPVUNQSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111028256 1004852265 /nfs/dbraw/zinc/85/22/65/1004852265.db2.gz PUJXKHYWYRKIQC-VQHPVUNQSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCn1c(C)cc(C(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1C ZINC000640800506 1006654627 /nfs/dbraw/zinc/65/46/27/1006654627.db2.gz QADLVVVBALRJHL-UHFFFAOYSA-N 2 2 370.501 1.731 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000507833449 538923324 /nfs/dbraw/zinc/92/33/24/538923324.db2.gz MFPRQLSAZQBVHC-QGZVFWFLSA-N 2 2 370.497 1.954 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000530232374 539916416 /nfs/dbraw/zinc/91/64/16/539916416.db2.gz ZDHXTPJATMGAAP-HXUWFJFHSA-N 2 2 366.465 1.947 20 30 FDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000533411901 540243746 /nfs/dbraw/zinc/24/37/46/540243746.db2.gz CQAICVXZAJUIPC-PXNSSMCTSA-N 2 2 362.514 1.932 20 30 FDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000533411901 540243748 /nfs/dbraw/zinc/24/37/48/540243748.db2.gz CQAICVXZAJUIPC-PXNSSMCTSA-N 2 2 362.514 1.932 20 30 FDEDLP COCC(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000540594341 541078736 /nfs/dbraw/zinc/07/87/36/541078736.db2.gz RQIRSDYQCFTDQQ-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000549936049 542971375 /nfs/dbraw/zinc/97/13/75/542971375.db2.gz JPMBBNKLEYJQGD-IRXDYDNUSA-N 2 2 359.518 1.777 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000076969638 172119900 /nfs/dbraw/zinc/11/99/00/172119900.db2.gz FYWZYIDKEGMYPW-SFHVURJKSA-N 2 2 369.513 1.623 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000076969638 172119903 /nfs/dbraw/zinc/11/99/03/172119903.db2.gz FYWZYIDKEGMYPW-SFHVURJKSA-N 2 2 369.513 1.623 20 30 FDEDLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)S1 ZINC000177216830 174115075 /nfs/dbraw/zinc/11/50/75/174115075.db2.gz KWDVHKHVDPDHBI-CQSZACIVSA-N 2 2 357.483 1.996 20 30 FDEDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000554875937 543884659 /nfs/dbraw/zinc/88/46/59/543884659.db2.gz YMZCLHVULCZBEF-UHFFFAOYSA-N 2 2 366.469 1.192 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276075 260331185 /nfs/dbraw/zinc/33/11/85/260331185.db2.gz FGELPOLXTNKONJ-WBVHZDCISA-N 2 2 356.470 1.610 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276075 260331186 /nfs/dbraw/zinc/33/11/86/260331186.db2.gz FGELPOLXTNKONJ-WBVHZDCISA-N 2 2 356.470 1.610 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000070011325 521995527 /nfs/dbraw/zinc/99/55/27/521995527.db2.gz YRJUSOJXCVOTDQ-WOJBJXKFSA-N 2 2 373.497 1.537 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000070011325 521995543 /nfs/dbraw/zinc/99/55/43/521995543.db2.gz YRJUSOJXCVOTDQ-WOJBJXKFSA-N 2 2 373.497 1.537 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)CC1 ZINC000057154354 522015193 /nfs/dbraw/zinc/01/51/93/522015193.db2.gz VTNNQLOJJCRERZ-LJQANCHMSA-N 2 2 366.465 1.980 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137530069 524241818 /nfs/dbraw/zinc/24/18/18/524241818.db2.gz MMZSEQZAKYYLBU-UHFFFAOYSA-N 2 2 357.454 1.251 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137530069 524241824 /nfs/dbraw/zinc/24/18/24/524241824.db2.gz MMZSEQZAKYYLBU-UHFFFAOYSA-N 2 2 357.454 1.251 20 30 FDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000089662310 524518696 /nfs/dbraw/zinc/51/86/96/524518696.db2.gz LXPZQIAYYIYDPL-CQSZACIVSA-N 2 2 366.469 1.819 20 30 FDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1C#N ZINC000089662310 524518702 /nfs/dbraw/zinc/51/87/02/524518702.db2.gz LXPZQIAYYIYDPL-CQSZACIVSA-N 2 2 366.469 1.819 20 30 FDEDLP N#Cc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C(N)=O)cc1 ZINC000115595561 525032494 /nfs/dbraw/zinc/03/24/94/525032494.db2.gz UYLIIKHDMDLVEL-FQEVSTJZSA-N 2 2 364.449 1.707 20 30 FDEDLP Cn1ccnc1C[NH+]1CCC(C(=O)N(CCC#N)CCC[NH+](C)C)CC1 ZINC000170814213 525723132 /nfs/dbraw/zinc/72/31/32/525723132.db2.gz VRATXJVTVZBSOM-UHFFFAOYSA-N 2 2 360.506 1.326 20 30 FDEDLP COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)cc1OC ZINC000170912860 525766764 /nfs/dbraw/zinc/76/67/64/525766764.db2.gz UVZAJSMIKVLKPR-UHFFFAOYSA-N 2 2 364.490 1.261 20 30 FDEDLP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)cc1OC ZINC000170912860 525766772 /nfs/dbraw/zinc/76/67/72/525766772.db2.gz UVZAJSMIKVLKPR-UHFFFAOYSA-N 2 2 364.490 1.261 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131247090 525838310 /nfs/dbraw/zinc/83/83/10/525838310.db2.gz LOGCELBICPWJTD-NVXWUHKLSA-N 2 2 350.507 1.214 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000155683557 525945273 /nfs/dbraw/zinc/94/52/73/525945273.db2.gz XDLADULGNXUPOI-IAGOWNOFSA-N 2 2 373.526 1.437 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000155683557 525945279 /nfs/dbraw/zinc/94/52/79/525945279.db2.gz XDLADULGNXUPOI-IAGOWNOFSA-N 2 2 373.526 1.437 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000286333175 537432727 /nfs/dbraw/zinc/43/27/27/537432727.db2.gz AREODUKOZSNFLX-IBGZPJMESA-N 2 2 370.497 1.268 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000286333175 537432732 /nfs/dbraw/zinc/43/27/32/537432732.db2.gz AREODUKOZSNFLX-IBGZPJMESA-N 2 2 370.497 1.268 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000271605844 537464220 /nfs/dbraw/zinc/46/42/20/537464220.db2.gz JIXAPYDFJOFSGI-SJORKVTESA-N 2 2 358.490 1.281 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000271605844 537464226 /nfs/dbraw/zinc/46/42/26/537464226.db2.gz JIXAPYDFJOFSGI-SJORKVTESA-N 2 2 358.490 1.281 20 30 FDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000371293900 537804989 /nfs/dbraw/zinc/80/49/89/537804989.db2.gz IEZZQLJEKDABIW-CEXWTWQISA-N 2 2 356.470 1.358 20 30 FDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000371293900 537804997 /nfs/dbraw/zinc/80/49/97/537804997.db2.gz IEZZQLJEKDABIW-CEXWTWQISA-N 2 2 356.470 1.358 20 30 FDEDLP C[N@H+](CC(=O)NC1(C#N)CCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000368942851 537993025 /nfs/dbraw/zinc/99/30/25/537993025.db2.gz ZNJIZZVBPQCXJR-UHFFFAOYSA-N 2 2 355.486 1.583 20 30 FDEDLP C[N@@H+](CC(=O)NC1(C#N)CCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000368942851 537993030 /nfs/dbraw/zinc/99/30/30/537993030.db2.gz ZNJIZZVBPQCXJR-UHFFFAOYSA-N 2 2 355.486 1.583 20 30 FDEDLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)CC2 ZINC000424151112 538247401 /nfs/dbraw/zinc/24/74/01/538247401.db2.gz HAJOIGXLIIHTFH-MRXNPFEDSA-N 2 2 360.458 1.199 20 30 FDEDLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)CC2 ZINC000424151112 538247407 /nfs/dbraw/zinc/24/74/07/538247407.db2.gz HAJOIGXLIIHTFH-MRXNPFEDSA-N 2 2 360.458 1.199 20 30 FDEDLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000483214534 538688185 /nfs/dbraw/zinc/68/81/85/538688185.db2.gz XZMUYSDNWQQMTI-UHFFFAOYSA-N 2 2 371.485 1.897 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000565954291 547545686 /nfs/dbraw/zinc/54/56/86/547545686.db2.gz LLDKBOZJAXOIND-QINHECLXSA-N 2 2 358.486 1.869 20 30 FDEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCSCc2ccccc2C#N)C[C@@H](C)O1 ZINC000571396480 549629019 /nfs/dbraw/zinc/62/90/19/549629019.db2.gz FQCLLBLZWXSJGJ-MDZRGWNJSA-N 2 2 363.527 1.851 20 30 FDEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000578335977 550753641 /nfs/dbraw/zinc/75/36/41/550753641.db2.gz XGTSSWDQWLKHNA-MRXNPFEDSA-N 2 2 358.490 1.839 20 30 FDEDLP OC[C@H]([NH2+]CC#CC[NH2+][C@H](CO)c1cccc(F)c1)c1cccc(F)c1 ZINC000578531502 550774082 /nfs/dbraw/zinc/77/40/82/550774082.db2.gz LHHLBXYVYBLGHQ-BGYRXZFFSA-N 2 2 360.404 1.914 20 30 FDEDLP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583688526 551387719 /nfs/dbraw/zinc/38/77/19/551387719.db2.gz NLTVPFSWVNOGNC-INIZCTEOSA-N 2 2 350.488 1.294 20 30 FDEDLP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583688526 551387721 /nfs/dbraw/zinc/38/77/21/551387721.db2.gz NLTVPFSWVNOGNC-INIZCTEOSA-N 2 2 350.488 1.294 20 30 FDEDLP COc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589612540 551738062 /nfs/dbraw/zinc/73/80/62/551738062.db2.gz VNXZHFBDRFTIFJ-KRWDZBQOSA-N 2 2 371.485 1.535 20 30 FDEDLP COc1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589612540 551738063 /nfs/dbraw/zinc/73/80/63/551738063.db2.gz VNXZHFBDRFTIFJ-KRWDZBQOSA-N 2 2 371.485 1.535 20 30 FDEDLP COc1cc(OC)cc([C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2[nH+]ccn2C)c1 ZINC000591967303 551921530 /nfs/dbraw/zinc/92/15/30/551921530.db2.gz KURXZDQJKFDFTJ-DLBZAZTESA-N 2 2 371.441 1.664 20 30 FDEDLP N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000594500292 552326750 /nfs/dbraw/zinc/32/67/50/552326750.db2.gz MGXZNVRZDWZNEJ-WOJBJXKFSA-N 2 2 368.481 1.502 20 30 FDEDLP N#CC[C@H]1CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000595610282 552592000 /nfs/dbraw/zinc/59/20/00/552592000.db2.gz VPDSILKUFQMRDA-GOSISDBHSA-N 2 2 362.518 1.763 20 30 FDEDLP N#CC[C@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000595610282 552592002 /nfs/dbraw/zinc/59/20/02/552592002.db2.gz VPDSILKUFQMRDA-GOSISDBHSA-N 2 2 362.518 1.763 20 30 FDEDLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000595907792 552631603 /nfs/dbraw/zinc/63/16/03/552631603.db2.gz YLRKDEFAKDTMHM-OALUTQOASA-N 2 2 356.470 1.706 20 30 FDEDLP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000595907792 552631605 /nfs/dbraw/zinc/63/16/05/552631605.db2.gz YLRKDEFAKDTMHM-OALUTQOASA-N 2 2 356.470 1.706 20 30 FDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000595960206 552638986 /nfs/dbraw/zinc/63/89/86/552638986.db2.gz KUQJNCIZQTWYCU-QRVBRYPASA-N 2 2 356.470 1.509 20 30 FDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000595960206 552638988 /nfs/dbraw/zinc/63/89/88/552638988.db2.gz KUQJNCIZQTWYCU-QRVBRYPASA-N 2 2 356.470 1.509 20 30 FDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599424284 553054032 /nfs/dbraw/zinc/05/40/32/553054032.db2.gz MJBQATYFULZRQO-FUHWJXTLSA-N 2 2 351.491 1.243 20 30 FDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599424284 553054035 /nfs/dbraw/zinc/05/40/35/553054035.db2.gz MJBQATYFULZRQO-FUHWJXTLSA-N 2 2 351.491 1.243 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000602527271 553599306 /nfs/dbraw/zinc/59/93/06/553599306.db2.gz NRZYORYDXNSAPK-IAGOWNOFSA-N 2 2 350.507 1.618 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000602527271 553599307 /nfs/dbraw/zinc/59/93/07/553599307.db2.gz NRZYORYDXNSAPK-IAGOWNOFSA-N 2 2 350.507 1.618 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3nnc4n3CCC4)CC2)cc1 ZINC000611438541 554633457 /nfs/dbraw/zinc/63/34/57/554633457.db2.gz RECRAEIPQDCUBJ-UHFFFAOYSA-N 2 2 350.470 1.893 20 30 FDEDLP Cc1onc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C#N ZINC000611528301 554642351 /nfs/dbraw/zinc/64/23/51/554642351.db2.gz KRGACVOUSYNCLW-UHFFFAOYSA-N 2 2 359.474 1.464 20 30 FDEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261995931 672708538 /nfs/dbraw/zinc/70/85/38/672708538.db2.gz SIIDIIUIRRTLTP-LZLYRXPVSA-N 3 2 364.563 1.779 20 30 FDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262778823 672847733 /nfs/dbraw/zinc/84/77/33/672847733.db2.gz KDUORMSHJNOZQI-XHSDSOJGSA-N 2 2 354.564 1.794 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001020604120 770979094 /nfs/dbraw/zinc/97/90/94/770979094.db2.gz YJZUAXXPJMURIW-QBPKDAKJSA-N 2 2 367.428 1.971 20 30 FDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCC[N@H+]1CCCC)C2 ZINC001112492957 773732432 /nfs/dbraw/zinc/73/24/32/773732432.db2.gz KYDJJIMDWVDMBD-ZVDOUQERSA-N 2 2 361.530 1.729 20 30 FDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCC[N@@H+]1CCCC)C2 ZINC001112492957 773732436 /nfs/dbraw/zinc/73/24/36/773732436.db2.gz KYDJJIMDWVDMBD-ZVDOUQERSA-N 2 2 361.530 1.729 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001087141408 775152036 /nfs/dbraw/zinc/15/20/36/775152036.db2.gz LJHFUPVVHLPWEY-LSTHTHJFSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001087141408 775152040 /nfs/dbraw/zinc/15/20/40/775152040.db2.gz LJHFUPVVHLPWEY-LSTHTHJFSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087141729 775157381 /nfs/dbraw/zinc/15/73/81/775157381.db2.gz UTXQJDLDDDONPF-LSTHTHJFSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087141729 775157387 /nfs/dbraw/zinc/15/73/87/775157387.db2.gz UTXQJDLDDDONPF-LSTHTHJFSA-N 2 2 370.497 1.606 20 30 FDEDLP [NH2+]=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCCCCC1 ZINC000092277916 780108639 /nfs/dbraw/zinc/10/86/39/780108639.db2.gz KVZOJYVEZCICHI-UHFFFAOYSA-N 2 2 372.517 1.747 20 30 FDEDLP C=C[C@H](CO)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000662165716 806047985 /nfs/dbraw/zinc/04/79/85/806047985.db2.gz MURFEXDVLZHKBY-PBHICJAKSA-N 2 2 351.878 1.730 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378298435 793911115 /nfs/dbraw/zinc/91/11/15/793911115.db2.gz ZPTQXJCJGDTUKY-PMACEKPBSA-N 2 2 370.497 1.873 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378298435 793911118 /nfs/dbraw/zinc/91/11/18/793911118.db2.gz ZPTQXJCJGDTUKY-PMACEKPBSA-N 2 2 370.497 1.873 20 30 FDEDLP C=CCOCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000661795010 804861586 /nfs/dbraw/zinc/86/15/86/804861586.db2.gz USLCXWKOPHVDEL-UHFFFAOYSA-N 2 2 352.523 1.829 20 30 FDEDLP O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329255756 824697357 /nfs/dbraw/zinc/69/73/57/824697357.db2.gz ARIZPPILNRAPDB-APWZRJJASA-N 2 2 354.454 1.821 20 30 FDEDLP O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329255756 824697365 /nfs/dbraw/zinc/69/73/65/824697365.db2.gz ARIZPPILNRAPDB-APWZRJJASA-N 2 2 354.454 1.821 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CC)no3)CC[C@@H]2C1 ZINC001087998070 825074517 /nfs/dbraw/zinc/07/45/17/825074517.db2.gz PHXDYQGRFOBWLN-IKGGRYGDSA-N 2 2 371.485 1.010 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CC)no3)CC[C@@H]2C1 ZINC001087998070 825074528 /nfs/dbraw/zinc/07/45/28/825074528.db2.gz PHXDYQGRFOBWLN-IKGGRYGDSA-N 2 2 371.485 1.010 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nc(CC)no3)CC[C@@H]2C1 ZINC001087998070 825074538 /nfs/dbraw/zinc/07/45/38/825074538.db2.gz PHXDYQGRFOBWLN-IKGGRYGDSA-N 2 2 371.485 1.010 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nc(CC)no3)CC[C@@H]2C1 ZINC001087998070 825074549 /nfs/dbraw/zinc/07/45/49/825074549.db2.gz PHXDYQGRFOBWLN-IKGGRYGDSA-N 2 2 371.485 1.010 20 30 FDEDLP C[NH+]1CCC(CNC(=O)c2cc3n(n2)CCCO3)([NH+]2CCCCC2)CC1 ZINC000329871197 825516778 /nfs/dbraw/zinc/51/67/78/825516778.db2.gz ANYHEQRSVPGDFR-UHFFFAOYSA-N 2 2 361.490 1.921 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079198 826130287 /nfs/dbraw/zinc/13/02/87/826130287.db2.gz QQZFNBYENJCXKU-HBFSDRIKSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079198 826130288 /nfs/dbraw/zinc/13/02/88/826130288.db2.gz QQZFNBYENJCXKU-HBFSDRIKSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079198 826130289 /nfs/dbraw/zinc/13/02/89/826130289.db2.gz QQZFNBYENJCXKU-HBFSDRIKSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079198 826130290 /nfs/dbraw/zinc/13/02/90/826130290.db2.gz QQZFNBYENJCXKU-HBFSDRIKSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC000108930468 826549996 /nfs/dbraw/zinc/54/99/96/826549996.db2.gz FPLWKCMSVIQWHS-UHFFFAOYSA-N 2 2 369.513 1.902 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088210790 827486827 /nfs/dbraw/zinc/48/68/27/827486827.db2.gz BFAGHQSQISANDL-AEFFLSMTSA-N 2 2 357.523 1.910 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088210790 827486833 /nfs/dbraw/zinc/48/68/33/827486833.db2.gz BFAGHQSQISANDL-AEFFLSMTSA-N 2 2 357.523 1.910 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088210790 827486835 /nfs/dbraw/zinc/48/68/35/827486835.db2.gz BFAGHQSQISANDL-AEFFLSMTSA-N 2 2 357.523 1.910 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088210790 827486837 /nfs/dbraw/zinc/48/68/37/827486837.db2.gz BFAGHQSQISANDL-AEFFLSMTSA-N 2 2 357.523 1.910 20 30 FDEDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528375904 829368828 /nfs/dbraw/zinc/36/88/28/829368828.db2.gz DPDYJAYPUBMKEX-VQTJNVASSA-N 2 2 372.513 1.400 20 30 FDEDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528375904 829368842 /nfs/dbraw/zinc/36/88/42/829368842.db2.gz DPDYJAYPUBMKEX-VQTJNVASSA-N 2 2 372.513 1.400 20 30 FDEDLP C=CCN1CC[C@H]([NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1=O ZINC000282041487 833415703 /nfs/dbraw/zinc/41/57/03/833415703.db2.gz QZTHMQFLZSNWTL-IBGZPJMESA-N 2 2 372.513 1.536 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)noc2CC)[C@@H]1C ZINC001088631341 838603341 /nfs/dbraw/zinc/60/33/41/838603341.db2.gz GGERGGDIGYJSKV-NJAFHUGGSA-N 2 2 358.486 1.722 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)noc2CC)[C@@H]1C ZINC001088631341 838603355 /nfs/dbraw/zinc/60/33/55/838603355.db2.gz GGERGGDIGYJSKV-NJAFHUGGSA-N 2 2 358.486 1.722 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)noc2CC)[C@@H]1C ZINC001088631341 838603363 /nfs/dbraw/zinc/60/33/63/838603363.db2.gz GGERGGDIGYJSKV-NJAFHUGGSA-N 2 2 358.486 1.722 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)noc2CC)[C@@H]1C ZINC001088631341 838603373 /nfs/dbraw/zinc/60/33/73/838603373.db2.gz GGERGGDIGYJSKV-NJAFHUGGSA-N 2 2 358.486 1.722 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(OC)c2)[C@@H]1C ZINC001088630975 838620624 /nfs/dbraw/zinc/62/06/24/838620624.db2.gz KNGUKRYMSGKKRV-UXPWSPDFSA-N 2 2 355.482 1.872 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(OC)c2)[C@@H]1C ZINC001088630975 838620630 /nfs/dbraw/zinc/62/06/30/838620630.db2.gz KNGUKRYMSGKKRV-UXPWSPDFSA-N 2 2 355.482 1.872 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(OC)c2)[C@@H]1C ZINC001088630975 838620638 /nfs/dbraw/zinc/62/06/38/838620638.db2.gz KNGUKRYMSGKKRV-UXPWSPDFSA-N 2 2 355.482 1.872 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(OC)c2)[C@@H]1C ZINC001088630975 838620645 /nfs/dbraw/zinc/62/06/45/838620645.db2.gz KNGUKRYMSGKKRV-UXPWSPDFSA-N 2 2 355.482 1.872 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cnn(CCC#N)c3C)CC2)CC1 ZINC000897997451 840643981 /nfs/dbraw/zinc/64/39/81/840643981.db2.gz HOCSLPPAGAIBIO-UHFFFAOYSA-N 2 2 372.517 1.737 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cnn(CCC#N)c3C)CC2)CC1 ZINC000897997451 840643989 /nfs/dbraw/zinc/64/39/89/840643989.db2.gz HOCSLPPAGAIBIO-UHFFFAOYSA-N 2 2 372.517 1.737 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105637875 842274606 /nfs/dbraw/zinc/27/46/06/842274606.db2.gz WTWIKJYORWSONG-IZBJGVDFSA-N 2 2 358.486 1.332 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105637875 842274615 /nfs/dbraw/zinc/27/46/15/842274615.db2.gz WTWIKJYORWSONG-IZBJGVDFSA-N 2 2 358.486 1.332 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105654995 842481302 /nfs/dbraw/zinc/48/13/02/842481302.db2.gz COARBBRUWZZIEW-LFGUQSLTSA-N 2 2 360.502 1.885 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(CC)n4)C[C@H]32)CC1 ZINC001076605843 848556656 /nfs/dbraw/zinc/55/66/56/848556656.db2.gz WACLVXZWENIVPF-AZUAARDMSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccn(CC)n4)C[C@H]32)CC1 ZINC001076605843 848556661 /nfs/dbraw/zinc/55/66/61/848556661.db2.gz WACLVXZWENIVPF-AZUAARDMSA-N 2 2 369.513 1.281 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076986199 849478025 /nfs/dbraw/zinc/47/80/25/849478025.db2.gz OSOBWPNSIGYOKI-CEXWTWQISA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076986199 849478026 /nfs/dbraw/zinc/47/80/26/849478026.db2.gz OSOBWPNSIGYOKI-CEXWTWQISA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076986199 849478028 /nfs/dbraw/zinc/47/80/28/849478028.db2.gz OSOBWPNSIGYOKI-CEXWTWQISA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076986199 849478029 /nfs/dbraw/zinc/47/80/29/849478029.db2.gz OSOBWPNSIGYOKI-CEXWTWQISA-N 2 2 356.470 1.092 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC000153983235 881606429 /nfs/dbraw/zinc/60/64/29/881606429.db2.gz YDVBPHZERMAFKX-INIZCTEOSA-N 2 2 353.470 1.986 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106874870 881862220 /nfs/dbraw/zinc/86/22/20/881862220.db2.gz VZTUEGVIYUPEQM-IEBWSBKVSA-N 2 2 350.466 1.698 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@@H]2C)CC1 ZINC001089059961 866390143 /nfs/dbraw/zinc/39/01/43/866390143.db2.gz KWMWSEKUBPLFOF-QAPCUYQASA-N 2 2 358.486 1.661 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@@H]2C)CC1 ZINC001089059961 866390158 /nfs/dbraw/zinc/39/01/58/866390158.db2.gz KWMWSEKUBPLFOF-QAPCUYQASA-N 2 2 358.486 1.661 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001089073824 866523919 /nfs/dbraw/zinc/52/39/19/866523919.db2.gz BWHZGLDNWGAKEC-QAPCUYQASA-N 2 2 353.426 1.565 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001089073824 866523934 /nfs/dbraw/zinc/52/39/34/866523934.db2.gz BWHZGLDNWGAKEC-QAPCUYQASA-N 2 2 353.426 1.565 20 30 FDEDLP COc1cc2cc(C#N)c(NC(=[NH2+])N3CC[NH+](C)CC3)nc2cc1OC ZINC001168735308 879377533 /nfs/dbraw/zinc/37/75/33/879377533.db2.gz NMOZIWFWSAXBMS-UHFFFAOYSA-N 2 2 354.414 1.718 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC[N@@H+]1C ZINC001031684083 887453019 /nfs/dbraw/zinc/45/30/19/887453019.db2.gz GIDYFJGAXGTQRY-PKOBYXMFSA-N 2 2 358.461 1.976 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC[N@H+]1C ZINC001031684083 887453024 /nfs/dbraw/zinc/45/30/24/887453024.db2.gz GIDYFJGAXGTQRY-PKOBYXMFSA-N 2 2 358.461 1.976 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263698 902306445 /nfs/dbraw/zinc/30/64/45/902306445.db2.gz HRSRJLPOYVGVCE-GBESFXJTSA-N 2 2 370.497 1.797 20 30 FDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000996832573 905796509 /nfs/dbraw/zinc/79/65/09/905796509.db2.gz ZFQFVTWECKHVOA-SJORKVTESA-N 2 2 371.909 1.199 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2C)C1 ZINC001080979580 906851477 /nfs/dbraw/zinc/85/14/77/906851477.db2.gz UPQOJSMTSILAMF-XYPHTWIQSA-N 2 2 362.499 1.277 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2C)C1 ZINC001080979580 906851484 /nfs/dbraw/zinc/85/14/84/906851484.db2.gz UPQOJSMTSILAMF-XYPHTWIQSA-N 2 2 362.499 1.277 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)C1 ZINC001080979580 906851493 /nfs/dbraw/zinc/85/14/93/906851493.db2.gz UPQOJSMTSILAMF-XYPHTWIQSA-N 2 2 362.499 1.277 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)C1 ZINC001080979580 906851497 /nfs/dbraw/zinc/85/14/97/906851497.db2.gz UPQOJSMTSILAMF-XYPHTWIQSA-N 2 2 362.499 1.277 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](Cc3ccc(C#N)cc3)CCO2)CC[N@@H+]1C ZINC001107954288 908480563 /nfs/dbraw/zinc/48/05/63/908480563.db2.gz MJBGLFDSOIQBGV-BSIFCXSSSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](Cc3ccc(C#N)cc3)CCO2)CC[N@H+]1C ZINC001107954288 908480572 /nfs/dbraw/zinc/48/05/72/908480572.db2.gz MJBGLFDSOIQBGV-BSIFCXSSSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@H+](Cc3ccc(C#N)cc3)CCO2)CC[NH+]1C ZINC001107954288 908480591 /nfs/dbraw/zinc/48/05/91/908480591.db2.gz MJBGLFDSOIQBGV-BSIFCXSSSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@@H+](Cc3ccc(C#N)cc3)CCO2)CC[NH+]1C ZINC001107954288 908480601 /nfs/dbraw/zinc/48/06/01/908480601.db2.gz MJBGLFDSOIQBGV-BSIFCXSSSA-N 2 2 370.497 1.606 20 30 FDEDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)cc1C#N ZINC001082549558 908487072 /nfs/dbraw/zinc/48/70/72/908487072.db2.gz JDXOZHPSXLSRQJ-RDTXWAMCSA-N 2 2 367.453 1.859 20 30 FDEDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)cc1C#N ZINC001082549558 908487084 /nfs/dbraw/zinc/48/70/84/908487084.db2.gz JDXOZHPSXLSRQJ-RDTXWAMCSA-N 2 2 367.453 1.859 20 30 FDEDLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084662454 915921614 /nfs/dbraw/zinc/92/16/14/915921614.db2.gz KODHKBNJTQKIOS-PWIZWCRZSA-N 2 2 352.482 1.933 20 30 FDEDLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084662454 915921615 /nfs/dbraw/zinc/92/16/15/915921615.db2.gz KODHKBNJTQKIOS-PWIZWCRZSA-N 2 2 352.482 1.933 20 30 FDEDLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084662454 915921622 /nfs/dbraw/zinc/92/16/22/915921622.db2.gz KODHKBNJTQKIOS-PWIZWCRZSA-N 2 2 352.482 1.933 20 30 FDEDLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084662454 915921625 /nfs/dbraw/zinc/92/16/25/915921625.db2.gz KODHKBNJTQKIOS-PWIZWCRZSA-N 2 2 352.482 1.933 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000730097665 916119073 /nfs/dbraw/zinc/11/90/73/916119073.db2.gz GCZMDGCPESMMEC-ROUUACIJSA-N 2 2 354.454 1.172 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000730097665 916119082 /nfs/dbraw/zinc/11/90/82/916119082.db2.gz GCZMDGCPESMMEC-ROUUACIJSA-N 2 2 354.454 1.172 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000730097665 916119090 /nfs/dbraw/zinc/11/90/90/916119090.db2.gz GCZMDGCPESMMEC-ROUUACIJSA-N 2 2 354.454 1.172 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000730097665 916119099 /nfs/dbraw/zinc/11/90/99/916119099.db2.gz GCZMDGCPESMMEC-ROUUACIJSA-N 2 2 354.454 1.172 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nn1 ZINC001085229798 922983535 /nfs/dbraw/zinc/98/35/35/922983535.db2.gz KSGRINIADDRIDV-KURKYZTESA-N 2 2 371.485 1.100 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nn1 ZINC001085229798 922983539 /nfs/dbraw/zinc/98/35/39/922983539.db2.gz KSGRINIADDRIDV-KURKYZTESA-N 2 2 371.485 1.100 20 30 FDEDLP C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086392236 926995571 /nfs/dbraw/zinc/99/55/71/926995571.db2.gz DIXCEUHYBIQMIZ-FDYHWXHSSA-N 2 2 353.264 1.906 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646455 930001469 /nfs/dbraw/zinc/00/14/69/930001469.db2.gz XLWHLJACSYRCJR-FPAYPSAMSA-N 2 2 356.470 1.125 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646455 930001471 /nfs/dbraw/zinc/00/14/71/930001471.db2.gz XLWHLJACSYRCJR-FPAYPSAMSA-N 2 2 356.470 1.125 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109728790 930260013 /nfs/dbraw/zinc/26/00/13/930260013.db2.gz CIJSSMISKSSIGY-HKBOAZHASA-N 2 2 369.509 1.532 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109728790 930260022 /nfs/dbraw/zinc/26/00/22/930260022.db2.gz CIJSSMISKSSIGY-HKBOAZHASA-N 2 2 369.509 1.532 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109728790 930260027 /nfs/dbraw/zinc/26/00/27/930260027.db2.gz CIJSSMISKSSIGY-HKBOAZHASA-N 2 2 369.509 1.532 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109728790 930260034 /nfs/dbraw/zinc/26/00/34/930260034.db2.gz CIJSSMISKSSIGY-HKBOAZHASA-N 2 2 369.509 1.532 20 30 FDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC(=S)NC[C@H]3CCCO3)cc2)CC1 ZINC000771555932 930738669 /nfs/dbraw/zinc/73/86/69/930738669.db2.gz RDBFFDINVNCDRO-QGZVFWFLSA-N 2 2 361.515 1.415 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1n1ccnn1 ZINC001129906910 938549039 /nfs/dbraw/zinc/54/90/39/938549039.db2.gz GTJYNVFZMYJJSJ-SJORKVTESA-N 2 2 370.457 1.232 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000621 938607807 /nfs/dbraw/zinc/60/78/07/938607807.db2.gz HBKNZROZOKZKNJ-OIISXLGYSA-N 2 2 369.473 1.429 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130158272 938719709 /nfs/dbraw/zinc/71/97/09/938719709.db2.gz AYKKGRAMCDDFOY-KSZLIROESA-N 2 2 371.489 1.651 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739722 940041686 /nfs/dbraw/zinc/04/16/86/940041686.db2.gz LPQSZEGQVGTJHJ-XYJFISCASA-N 2 2 356.474 1.556 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131130647 940511511 /nfs/dbraw/zinc/51/15/11/940511511.db2.gz XCGHEMIQHSMLJC-GVDBMIGSSA-N 2 2 356.474 1.556 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001131522737 940706471 /nfs/dbraw/zinc/70/64/71/940706471.db2.gz WOWHDNKOBAXAIB-RLLQIKCJSA-N 2 2 370.497 1.455 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001086721010 941639910 /nfs/dbraw/zinc/63/99/10/941639910.db2.gz AKDJITVCOREJQJ-XHSDSOJGSA-N 2 2 359.474 1.104 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001086721010 941639914 /nfs/dbraw/zinc/63/99/14/941639914.db2.gz AKDJITVCOREJQJ-XHSDSOJGSA-N 2 2 359.474 1.104 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)[NH+](CC)CC ZINC001196114772 971485367 /nfs/dbraw/zinc/48/53/67/971485367.db2.gz BNWWOINDAJLRRT-BRWVUGGUSA-N 2 2 364.515 1.401 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)[NH+](CC)CC ZINC001196114772 971485370 /nfs/dbraw/zinc/48/53/70/971485370.db2.gz BNWWOINDAJLRRT-BRWVUGGUSA-N 2 2 364.515 1.401 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001091565656 952091780 /nfs/dbraw/zinc/09/17/80/952091780.db2.gz UXNHWJYJYMYQIR-DYXWJJEUSA-N 2 2 368.481 1.169 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001091565656 952091785 /nfs/dbraw/zinc/09/17/85/952091785.db2.gz UXNHWJYJYMYQIR-DYXWJJEUSA-N 2 2 368.481 1.169 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001091565656 952091790 /nfs/dbraw/zinc/09/17/90/952091790.db2.gz UXNHWJYJYMYQIR-DYXWJJEUSA-N 2 2 368.481 1.169 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001091565656 952091795 /nfs/dbraw/zinc/09/17/95/952091795.db2.gz UXNHWJYJYMYQIR-DYXWJJEUSA-N 2 2 368.481 1.169 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@@]2(C)C1 ZINC001091748160 952793321 /nfs/dbraw/zinc/79/33/21/952793321.db2.gz CTIJEOIPGYCORO-LQWHRVPQSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@@]2(C)C1 ZINC001091748160 952793325 /nfs/dbraw/zinc/79/33/25/952793325.db2.gz CTIJEOIPGYCORO-LQWHRVPQSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nc(C)c(C)o3)C[C@@]2(C)C1 ZINC001091748160 952793327 /nfs/dbraw/zinc/79/33/27/952793327.db2.gz CTIJEOIPGYCORO-LQWHRVPQSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nc(C)c(C)o3)C[C@@]2(C)C1 ZINC001091748160 952793329 /nfs/dbraw/zinc/79/33/29/952793329.db2.gz CTIJEOIPGYCORO-LQWHRVPQSA-N 2 2 370.497 1.669 20 30 FDEDLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087094003 953260275 /nfs/dbraw/zinc/26/02/75/953260275.db2.gz NEODRNHUQNVGCP-QZTJIDSGSA-N 2 2 367.453 1.477 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093471757 958235310 /nfs/dbraw/zinc/23/53/10/958235310.db2.gz GNYDYHQZBPCOCW-MXHNKVEKSA-N 2 2 360.502 1.839 20 30 FDEDLP C=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093487838 958309457 /nfs/dbraw/zinc/30/94/57/958309457.db2.gz RGBLMCBTQJDMQH-FCGDIQPGSA-N 2 2 369.513 1.839 20 30 FDEDLP C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093487838 958309469 /nfs/dbraw/zinc/30/94/69/958309469.db2.gz RGBLMCBTQJDMQH-FCGDIQPGSA-N 2 2 369.513 1.839 20 30 FDEDLP C=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093487838 958309478 /nfs/dbraw/zinc/30/94/78/958309478.db2.gz RGBLMCBTQJDMQH-FCGDIQPGSA-N 2 2 369.513 1.839 20 30 FDEDLP C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093487838 958309489 /nfs/dbraw/zinc/30/94/89/958309489.db2.gz RGBLMCBTQJDMQH-FCGDIQPGSA-N 2 2 369.513 1.839 20 30 FDEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000775789929 972479758 /nfs/dbraw/zinc/47/97/58/972479758.db2.gz FJLPSHKNRQDGQP-IHPCNDPISA-N 2 2 355.482 1.662 20 30 FDEDLP C#C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCCO1 ZINC000775793543 972513695 /nfs/dbraw/zinc/51/36/95/972513695.db2.gz MCBKIJGRDYBTDD-RTBURBONSA-N 2 2 373.522 1.944 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)n1cc(C[NH3+])cnc1=N ZINC001183842995 963308465 /nfs/dbraw/zinc/30/84/65/963308465.db2.gz XSNJOTOIKDEJMN-QGZVFWFLSA-N 2 2 350.426 1.388 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)n1cc(C[NH3+])cnc1=N ZINC001183842995 963308477 /nfs/dbraw/zinc/30/84/77/963308477.db2.gz XSNJOTOIKDEJMN-QGZVFWFLSA-N 2 2 350.426 1.388 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001184470104 963629969 /nfs/dbraw/zinc/62/99/69/963629969.db2.gz ZIKROLHMUHQFIJ-KURKYZTESA-N 2 2 351.491 1.023 20 30 FDEDLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193902431 969914980 /nfs/dbraw/zinc/91/49/80/969914980.db2.gz RSNXCDPXQGYLQK-IAOVAPTHSA-N 2 2 362.499 1.155 20 30 FDEDLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193902431 969914984 /nfs/dbraw/zinc/91/49/84/969914984.db2.gz RSNXCDPXQGYLQK-IAOVAPTHSA-N 2 2 362.499 1.155 20 30 FDEDLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193902431 969914991 /nfs/dbraw/zinc/91/49/91/969914991.db2.gz RSNXCDPXQGYLQK-IAOVAPTHSA-N 2 2 362.499 1.155 20 30 FDEDLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193902431 969914995 /nfs/dbraw/zinc/91/49/95/969914995.db2.gz RSNXCDPXQGYLQK-IAOVAPTHSA-N 2 2 362.499 1.155 20 30 FDEDLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]([NH3+])CCCCC#N)n3)cn2)CC1 ZINC000848624896 976959965 /nfs/dbraw/zinc/95/99/65/976959965.db2.gz PRYPECNDDQQJOS-HNNXBMFYSA-N 2 2 355.446 1.967 20 30 FDEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883372332 982101398 /nfs/dbraw/zinc/10/13/98/982101398.db2.gz XAMCADVFWFYQQC-OAQYLSRUSA-N 2 2 371.525 1.975 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000884299019 983064816 /nfs/dbraw/zinc/06/48/16/983064816.db2.gz JMVSWWOMDPXUSI-UAGQMJEPSA-N 2 2 363.433 1.082 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884328773 983089322 /nfs/dbraw/zinc/08/93/22/983089322.db2.gz XFJXSRFPGLEPDC-JQHSSLGASA-N 2 2 359.470 1.460 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884328773 983089329 /nfs/dbraw/zinc/08/93/29/983089329.db2.gz XFJXSRFPGLEPDC-JQHSSLGASA-N 2 2 359.470 1.460 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110821917 984419947 /nfs/dbraw/zinc/41/99/47/984419947.db2.gz POJPCMAWWHFGEV-SUMDDJOVSA-N 2 2 358.486 1.686 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110821917 984419950 /nfs/dbraw/zinc/41/99/50/984419950.db2.gz POJPCMAWWHFGEV-SUMDDJOVSA-N 2 2 358.486 1.686 20 30 FDEDLP C#CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000886580998 986383571 /nfs/dbraw/zinc/38/35/71/986383571.db2.gz GANAGEAZKUPIQD-HXUWFJFHSA-N 2 2 355.482 1.443 20 30 FDEDLP C#CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000886580998 986383583 /nfs/dbraw/zinc/38/35/83/986383583.db2.gz GANAGEAZKUPIQD-HXUWFJFHSA-N 2 2 355.482 1.443 20 30 FDEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000366300047 988606099 /nfs/dbraw/zinc/60/60/99/988606099.db2.gz PZPPDZWVKAQHSM-UYAOXDASSA-N 2 2 357.498 1.756 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000371085038 990237208 /nfs/dbraw/zinc/23/72/08/990237208.db2.gz IGKWLXWTVABVLP-UHFFFAOYSA-N 3 2 374.573 1.644 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cccc(OCC#N)c3)C2)CC1 ZINC000372859473 991610001 /nfs/dbraw/zinc/61/00/01/991610001.db2.gz URIYRWGBIZXVJL-QGZVFWFLSA-N 2 2 356.470 1.416 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cccc(OCC#N)c3)C2)CC1 ZINC000372859473 991610004 /nfs/dbraw/zinc/61/00/04/991610004.db2.gz URIYRWGBIZXVJL-QGZVFWFLSA-N 2 2 356.470 1.416 20 30 FDEDLP C#CC[C@H](CCOC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875916706 992188437 /nfs/dbraw/zinc/18/84/37/992188437.db2.gz MEGVTBBRNMBGNQ-SJLPKXTDSA-N 2 2 350.507 1.225 20 30 FDEDLP C#CC[C@H](CCOC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875916706 992188450 /nfs/dbraw/zinc/18/84/50/992188450.db2.gz MEGVTBBRNMBGNQ-SJLPKXTDSA-N 2 2 350.507 1.225 20 30 FDEDLP N#Cc1cccc([C@@H](NC(=O)NCC[NH+]2CCC([NH3+])CC2)C(F)(F)F)c1 ZINC000926190132 995969357 /nfs/dbraw/zinc/96/93/57/995969357.db2.gz TZDXBRJRKUJKKT-OAHLLOKOSA-N 2 2 369.391 1.884 20 30 FDEDLP COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1OC ZINC000264084310 997398732 /nfs/dbraw/zinc/39/87/32/997398732.db2.gz JEDBXBOODYYGON-INIZCTEOSA-N 2 2 363.506 1.702 20 30 FDEDLP COc1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000289972906 1000123261 /nfs/dbraw/zinc/12/32/61/1000123261.db2.gz ZFVYRGDEVITZNB-UHFFFAOYSA-N 2 2 356.470 1.553 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285526 1004027416 /nfs/dbraw/zinc/02/74/16/1004027416.db2.gz PKKVNTJHWLNCOU-LJQANCHMSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285526 1004027425 /nfs/dbraw/zinc/02/74/25/1004027425.db2.gz PKKVNTJHWLNCOU-LJQANCHMSA-N 2 2 359.470 1.485 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001111020792 1004626648 /nfs/dbraw/zinc/62/66/48/1004626648.db2.gz JNESXAVGGFZCCG-MANSERQUSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111020792 1004626651 /nfs/dbraw/zinc/62/66/51/1004626651.db2.gz JNESXAVGGFZCCG-MANSERQUSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111020792 1004626655 /nfs/dbraw/zinc/62/66/55/1004626655.db2.gz JNESXAVGGFZCCG-MANSERQUSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111020792 1004626660 /nfs/dbraw/zinc/62/66/60/1004626660.db2.gz JNESXAVGGFZCCG-MANSERQUSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652357251 1016964017 /nfs/dbraw/zinc/96/40/17/1016964017.db2.gz FLCAXNAWIGGVDH-BFYDXBDKSA-N 2 2 351.516 1.947 20 30 FDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652357251 1016964020 /nfs/dbraw/zinc/96/40/20/1016964020.db2.gz FLCAXNAWIGGVDH-BFYDXBDKSA-N 2 2 351.516 1.947 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512288090 538971017 /nfs/dbraw/zinc/97/10/17/538971017.db2.gz YGVVPGJURQRGSZ-UTKZUKDTSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512288090 538971019 /nfs/dbraw/zinc/97/10/19/538971019.db2.gz YGVVPGJURQRGSZ-UTKZUKDTSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512288090 538971021 /nfs/dbraw/zinc/97/10/21/538971021.db2.gz YGVVPGJURQRGSZ-UTKZUKDTSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512288090 538971022 /nfs/dbraw/zinc/97/10/22/538971022.db2.gz YGVVPGJURQRGSZ-UTKZUKDTSA-N 2 2 370.497 1.985 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533072755 540199180 /nfs/dbraw/zinc/19/91/80/540199180.db2.gz HLZRZLYRMKSUSB-MRXNPFEDSA-N 2 2 360.506 1.478 20 30 FDEDLP C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368858133 260249723 /nfs/dbraw/zinc/24/97/23/260249723.db2.gz BPFLNWFAGOLVQS-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368858133 260249725 /nfs/dbraw/zinc/24/97/25/260249725.db2.gz BPFLNWFAGOLVQS-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373510 260351066 /nfs/dbraw/zinc/35/10/66/260351066.db2.gz PNXNPXZBZDOSGD-GOSISDBHSA-N 2 2 355.486 1.868 20 30 FDEDLP CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373510 260351067 /nfs/dbraw/zinc/35/10/67/260351067.db2.gz PNXNPXZBZDOSGD-GOSISDBHSA-N 2 2 355.486 1.868 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374727215 261183177 /nfs/dbraw/zinc/18/31/77/261183177.db2.gz QYLOIMLHSQVAJT-UHFFFAOYSA-N 2 2 372.469 1.184 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374727215 261183180 /nfs/dbraw/zinc/18/31/80/261183180.db2.gz QYLOIMLHSQVAJT-UHFFFAOYSA-N 2 2 372.469 1.184 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000057154890 522015937 /nfs/dbraw/zinc/01/59/37/522015937.db2.gz WOBHSWHVXQYKHY-HXUWFJFHSA-N 2 2 355.482 1.521 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000051273813 523005534 /nfs/dbraw/zinc/00/55/34/523005534.db2.gz KQCSFCNTKRFEKB-UHFFFAOYSA-N 2 2 355.486 1.916 20 30 FDEDLP CC[NH+]1CCN(c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2F)CC1 ZINC000066917340 523261897 /nfs/dbraw/zinc/26/18/97/523261897.db2.gz ORQBZTIFQMRJIZ-UHFFFAOYSA-N 2 2 373.476 1.685 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(c2ccccc2)CC1 ZINC000086990447 524403606 /nfs/dbraw/zinc/40/36/06/524403606.db2.gz JFEIODCOGVZYFW-UHFFFAOYSA-N 2 2 355.490 1.384 20 30 FDEDLP Cc1[nH+]c2ccccc2n1CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104156023 525397644 /nfs/dbraw/zinc/39/76/44/525397644.db2.gz JGSJNQYQSJLJSE-UHFFFAOYSA-N 3 2 358.490 1.361 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000104164654 525398514 /nfs/dbraw/zinc/39/85/14/525398514.db2.gz UJZZALBKVRHCJM-IBGZPJMESA-N 3 2 359.518 1.407 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000104164654 525398520 /nfs/dbraw/zinc/39/85/20/525398520.db2.gz UJZZALBKVRHCJM-IBGZPJMESA-N 3 2 359.518 1.407 20 30 FDEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000181702723 525900304 /nfs/dbraw/zinc/90/03/04/525900304.db2.gz NPSWRSYPFUOMCS-SFHVURJKSA-N 3 2 355.530 1.748 20 30 FDEDLP CN(CCC#N)C(=O)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000131776939 525901113 /nfs/dbraw/zinc/90/11/13/525901113.db2.gz LMXMZGMQHRIDBM-UHFFFAOYSA-N 2 2 357.502 1.782 20 30 FDEDLP CN(CCC#N)C(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000131776939 525901123 /nfs/dbraw/zinc/90/11/23/525901123.db2.gz LMXMZGMQHRIDBM-UHFFFAOYSA-N 2 2 357.502 1.782 20 30 FDEDLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000181978705 526006948 /nfs/dbraw/zinc/00/69/48/526006948.db2.gz MPEJMFFLYFBFRQ-WMZOPIPTSA-N 2 2 372.469 1.173 20 30 FDEDLP C[NH+]=C(NCC1(O)CCCCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263247323 537000630 /nfs/dbraw/zinc/00/06/30/537000630.db2.gz NIPONAUWLWIUDC-UHFFFAOYSA-N 2 2 366.550 1.882 20 30 FDEDLP NC(=[NH+]OCCOCC(F)F)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000189279937 537020845 /nfs/dbraw/zinc/02/08/45/537020845.db2.gz KXGBNJVUHQBKKS-UHFFFAOYSA-N 2 2 357.401 1.562 20 30 FDEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193586679 537251595 /nfs/dbraw/zinc/25/15/95/537251595.db2.gz UTDQNMMKGVLHNT-KRWDZBQOSA-N 2 2 373.501 1.352 20 30 FDEDLP Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)c1 ZINC000329598697 537639719 /nfs/dbraw/zinc/63/97/19/537639719.db2.gz JLPSHFIYKOHXAZ-LJQANCHMSA-N 2 2 374.533 1.911 20 30 FDEDLP Cc1cnn([C@@H]2CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)c1 ZINC000329598697 537639723 /nfs/dbraw/zinc/63/97/23/537639723.db2.gz JLPSHFIYKOHXAZ-LJQANCHMSA-N 2 2 374.533 1.911 20 30 FDEDLP CC(=O)N1CCC[C@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000330029714 537650511 /nfs/dbraw/zinc/65/05/11/537650511.db2.gz QNBCNOIRHPQTFX-QGZVFWFLSA-N 2 2 367.538 1.117 20 30 FDEDLP CC(=O)N1CCC[C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000330029714 537650516 /nfs/dbraw/zinc/65/05/16/537650516.db2.gz QNBCNOIRHPQTFX-QGZVFWFLSA-N 2 2 367.538 1.117 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000285470688 537717179 /nfs/dbraw/zinc/71/71/79/537717179.db2.gz CEGDEPQCNXLGEG-UHFFFAOYSA-N 2 2 371.485 1.065 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422201608 538187214 /nfs/dbraw/zinc/18/72/14/538187214.db2.gz DLAPNUNERMBYPP-MSOLQXFVSA-N 2 2 350.507 1.532 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422201608 538187220 /nfs/dbraw/zinc/18/72/20/538187220.db2.gz DLAPNUNERMBYPP-MSOLQXFVSA-N 2 2 350.507 1.532 20 30 FDEDLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]([NH3+])CCCC#N)CCCC2)no1 ZINC000424153270 538246824 /nfs/dbraw/zinc/24/68/24/538246824.db2.gz JXLLKTVOLSRNLK-AWEZNQCLSA-N 2 2 362.478 1.818 20 30 FDEDLP C=C(C)C(C)(C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000424646682 538337634 /nfs/dbraw/zinc/33/76/34/538337634.db2.gz JUAXZSBWIFREIG-UHFFFAOYSA-N 2 2 364.534 1.286 20 30 FDEDLP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)CC1 ZINC000564090722 546803458 /nfs/dbraw/zinc/80/34/58/546803458.db2.gz SUNRAYJXSYIGBS-FQEVSTJZSA-N 2 2 357.502 1.791 20 30 FDEDLP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(OC)c1 ZINC000570525376 549312160 /nfs/dbraw/zinc/31/21/60/549312160.db2.gz JDNJMXFPAKFKQV-KRWDZBQOSA-N 2 2 372.469 1.709 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000570758042 549400034 /nfs/dbraw/zinc/40/00/34/549400034.db2.gz RZFOHHSBKOHCJG-UHFFFAOYSA-N 2 2 371.466 1.381 20 30 FDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000573359638 550120558 /nfs/dbraw/zinc/12/05/58/550120558.db2.gz ZGAAIGNYVYJNEH-UYSNPLJNSA-N 2 2 362.440 1.588 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000590243115 551767151 /nfs/dbraw/zinc/76/71/51/551767151.db2.gz LALPPYPBBKZIOG-KRWDZBQOSA-N 2 2 355.486 1.523 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000590243115 551767153 /nfs/dbraw/zinc/76/71/53/551767153.db2.gz LALPPYPBBKZIOG-KRWDZBQOSA-N 2 2 355.486 1.523 20 30 FDEDLP Cn1ncc2c1nc(NC1CC[NH+](Cc3cccc(C#N)c3)CC1)[nH+]c2N ZINC000593514454 552120858 /nfs/dbraw/zinc/12/08/58/552120858.db2.gz AZWCCMYLKDQPCC-UHFFFAOYSA-N 2 2 362.441 1.894 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594804279 552391430 /nfs/dbraw/zinc/39/14/30/552391430.db2.gz VRYRLELXJMRJQK-ZDUSSCGKSA-N 2 2 372.922 1.762 20 30 FDEDLP Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000595108551 552453579 /nfs/dbraw/zinc/45/35/79/552453579.db2.gz SHGXKLXIHAIAGQ-HNNXBMFYSA-N 2 2 359.474 1.193 20 30 FDEDLP Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000595108551 552453580 /nfs/dbraw/zinc/45/35/80/552453580.db2.gz SHGXKLXIHAIAGQ-HNNXBMFYSA-N 2 2 359.474 1.193 20 30 FDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000598718371 552928056 /nfs/dbraw/zinc/92/80/56/552928056.db2.gz ALDNNUCNTPWUST-SFHVURJKSA-N 2 2 361.486 1.788 20 30 FDEDLP COc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(F)cc1C#N ZINC000599818764 553154888 /nfs/dbraw/zinc/15/48/88/553154888.db2.gz HNLHOESJYHFQSM-UHFFFAOYSA-N 2 2 363.437 1.853 20 30 FDEDLP N#CCN1CCC([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000601106673 553348009 /nfs/dbraw/zinc/34/80/09/553348009.db2.gz URNHDUUTCNZTSU-UHFFFAOYSA-N 2 2 358.486 1.475 20 30 FDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000603429604 553786656 /nfs/dbraw/zinc/78/66/56/553786656.db2.gz ZMEDIOBBBZMMGN-CTNGQTDRSA-N 2 2 354.498 1.932 20 30 FDEDLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000609213494 554350048 /nfs/dbraw/zinc/35/00/48/554350048.db2.gz PURSLHWARNYEOD-KRWDZBQOSA-N 2 2 373.501 1.352 20 30 FDEDLP C[C@H]1COCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000609213494 554350050 /nfs/dbraw/zinc/35/00/50/554350050.db2.gz PURSLHWARNYEOD-KRWDZBQOSA-N 2 2 373.501 1.352 20 30 FDEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000611571502 554648018 /nfs/dbraw/zinc/64/80/18/554648018.db2.gz HHFXJUBEEFUYHL-SFHVURJKSA-N 2 2 370.497 1.561 20 30 FDEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000611571502 554648021 /nfs/dbraw/zinc/64/80/21/554648021.db2.gz HHFXJUBEEFUYHL-SFHVURJKSA-N 2 2 370.497 1.561 20 30 FDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262802243 672850650 /nfs/dbraw/zinc/85/06/50/672850650.db2.gz RLGGONJRIZPGPO-KRWDZBQOSA-N 3 2 353.580 1.418 20 30 FDEDLP CN(CCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000289356364 676124098 /nfs/dbraw/zinc/12/40/98/676124098.db2.gz GTZUWPLPAAEFCA-UHFFFAOYSA-N 2 2 366.531 1.147 20 30 FDEDLP CN(CCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000289356364 676124099 /nfs/dbraw/zinc/12/40/99/676124099.db2.gz GTZUWPLPAAEFCA-UHFFFAOYSA-N 2 2 366.531 1.147 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367031493 677480716 /nfs/dbraw/zinc/48/07/16/677480716.db2.gz VUKIZQGULLAMMN-QYZOEREBSA-N 2 2 350.551 1.757 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367031493 677480719 /nfs/dbraw/zinc/48/07/19/677480719.db2.gz VUKIZQGULLAMMN-QYZOEREBSA-N 2 2 350.551 1.757 20 30 FDEDLP C=CCCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000480861385 686240699 /nfs/dbraw/zinc/24/06/99/686240699.db2.gz FEHMDYHSIYGEKB-UHFFFAOYSA-N 2 2 350.507 1.040 20 30 FDEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668619188 782971241 /nfs/dbraw/zinc/97/12/41/782971241.db2.gz ZVWVBXKYPNHZHO-MSOLQXFVSA-N 2 2 350.507 1.084 20 30 FDEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668619188 782971244 /nfs/dbraw/zinc/97/12/44/782971244.db2.gz ZVWVBXKYPNHZHO-MSOLQXFVSA-N 2 2 350.507 1.084 20 30 FDEDLP N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001022228733 778777329 /nfs/dbraw/zinc/77/73/29/778777329.db2.gz NCJBFNDHKJWPNE-CYGHRXIMSA-N 2 2 365.437 1.853 20 30 FDEDLP N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001022228733 778777337 /nfs/dbraw/zinc/77/73/37/778777337.db2.gz NCJBFNDHKJWPNE-CYGHRXIMSA-N 2 2 365.437 1.853 20 30 FDEDLP C=CC[C@@]1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000662697521 806969087 /nfs/dbraw/zinc/96/90/87/806969087.db2.gz FYJGKBXTSPHWFI-NRFANRHFSA-N 2 2 373.497 1.712 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278899299 807092852 /nfs/dbraw/zinc/09/28/52/807092852.db2.gz PCCDCPMZAPQIFC-AWEZNQCLSA-N 2 2 359.474 1.799 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710263 814832278 /nfs/dbraw/zinc/83/22/78/814832278.db2.gz SXEBCKJDVRVFDP-OTWHNJEPSA-N 2 2 365.518 1.271 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710263 814832279 /nfs/dbraw/zinc/83/22/79/814832279.db2.gz SXEBCKJDVRVFDP-OTWHNJEPSA-N 2 2 365.518 1.271 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000425886253 817295279 /nfs/dbraw/zinc/29/52/79/817295279.db2.gz YWCPQGBUSJJPCK-HKUYNNGSSA-N 2 2 364.534 1.779 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000425886253 817295291 /nfs/dbraw/zinc/29/52/91/817295291.db2.gz YWCPQGBUSJJPCK-HKUYNNGSSA-N 2 2 364.534 1.779 20 30 FDEDLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)NC2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000328946291 819585596 /nfs/dbraw/zinc/58/55/96/819585596.db2.gz GNEHPIGUAWGCSV-CRAIPNDOSA-N 2 2 374.489 1.212 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccc(C#N)cc2)O1 ZINC001029356043 820846332 /nfs/dbraw/zinc/84/63/32/820846332.db2.gz CUVHFRNECJLFFS-GEALJGNFSA-N 2 2 368.481 1.453 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccc(C#N)cc2)O1 ZINC001029356043 820846356 /nfs/dbraw/zinc/84/63/56/820846356.db2.gz CUVHFRNECJLFFS-GEALJGNFSA-N 2 2 368.481 1.453 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)O1 ZINC001029356043 820846374 /nfs/dbraw/zinc/84/63/74/820846374.db2.gz CUVHFRNECJLFFS-GEALJGNFSA-N 2 2 368.481 1.453 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)O1 ZINC001029356043 820846385 /nfs/dbraw/zinc/84/63/85/820846385.db2.gz CUVHFRNECJLFFS-GEALJGNFSA-N 2 2 368.481 1.453 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(CO)cc2)[C@@H]1CC ZINC001087607163 821714493 /nfs/dbraw/zinc/71/44/93/821714493.db2.gz ONPYAXFSNUQPPJ-HBMCJLEFSA-N 2 2 369.509 1.746 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)[C@@H]1CC ZINC001087607163 821714495 /nfs/dbraw/zinc/71/44/95/821714495.db2.gz ONPYAXFSNUQPPJ-HBMCJLEFSA-N 2 2 369.509 1.746 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CO)cc2)[C@@H]1CC ZINC001087607163 821714497 /nfs/dbraw/zinc/71/44/97/821714497.db2.gz ONPYAXFSNUQPPJ-HBMCJLEFSA-N 2 2 369.509 1.746 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CO)cc2)[C@@H]1CC ZINC001087607163 821714499 /nfs/dbraw/zinc/71/44/99/821714499.db2.gz ONPYAXFSNUQPPJ-HBMCJLEFSA-N 2 2 369.509 1.746 20 30 FDEDLP O=C(CN1CC[NH+](Cc2ccncc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000329155685 824632966 /nfs/dbraw/zinc/63/29/66/824632966.db2.gz BTPVEZJPXXZCPC-UHFFFAOYSA-N 2 2 357.502 1.783 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001087998215 825075911 /nfs/dbraw/zinc/07/59/11/825075911.db2.gz XJRUMGMDUKPXKM-QYZOEREBSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001087998215 825075918 /nfs/dbraw/zinc/07/59/18/825075918.db2.gz XJRUMGMDUKPXKM-QYZOEREBSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001087998215 825075921 /nfs/dbraw/zinc/07/59/21/825075921.db2.gz XJRUMGMDUKPXKM-QYZOEREBSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001087998215 825075931 /nfs/dbraw/zinc/07/59/31/825075931.db2.gz XJRUMGMDUKPXKM-QYZOEREBSA-N 2 2 369.513 1.281 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](O)C34CCCC4)CC2)CC1 ZINC000330360907 825982356 /nfs/dbraw/zinc/98/23/56/825982356.db2.gz XRVLMPQKUNRPEM-GOSISDBHSA-N 2 2 364.534 1.838 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281967233 826360090 /nfs/dbraw/zinc/36/00/90/826360090.db2.gz GPNPDIWUQYRSLW-GJZGRUSLSA-N 2 2 359.474 1.799 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281967233 826360100 /nfs/dbraw/zinc/36/01/00/826360100.db2.gz GPNPDIWUQYRSLW-GJZGRUSLSA-N 2 2 359.474 1.799 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202150 827451208 /nfs/dbraw/zinc/45/12/08/827451208.db2.gz MVLXZQHEEINEPS-UAGQMJEPSA-N 2 2 355.910 1.488 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202150 827451215 /nfs/dbraw/zinc/45/12/15/827451215.db2.gz MVLXZQHEEINEPS-UAGQMJEPSA-N 2 2 355.910 1.488 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088750289 842899340 /nfs/dbraw/zinc/89/93/40/842899340.db2.gz FMOYCBQKIWKWDL-KDOFPFPSSA-N 2 2 355.417 1.982 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088750289 842899351 /nfs/dbraw/zinc/89/93/51/842899351.db2.gz FMOYCBQKIWKWDL-KDOFPFPSSA-N 2 2 355.417 1.982 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105666700 843293852 /nfs/dbraw/zinc/29/38/52/843293852.db2.gz ILTYPMHQKBOYON-XNFNUYLZSA-N 2 2 360.502 1.885 20 30 FDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990743452 845493733 /nfs/dbraw/zinc/49/37/33/845493733.db2.gz RTRAGLUWFDQGNE-IKVWTGGYSA-N 2 2 352.482 1.900 20 30 FDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990743452 845493739 /nfs/dbraw/zinc/49/37/39/845493739.db2.gz RTRAGLUWFDQGNE-IKVWTGGYSA-N 2 2 352.482 1.900 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1F ZINC001076633207 848618099 /nfs/dbraw/zinc/61/80/99/848618099.db2.gz CSSMPULIIWJYOM-FUHWJXTLSA-N 2 2 353.401 1.627 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1F ZINC001076633207 848618104 /nfs/dbraw/zinc/61/81/04/848618104.db2.gz CSSMPULIIWJYOM-FUHWJXTLSA-N 2 2 353.401 1.627 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O ZINC001077132180 849860734 /nfs/dbraw/zinc/86/07/34/849860734.db2.gz REVPWTINEANVJL-NJDAHSKKSA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O ZINC001077132180 849860736 /nfs/dbraw/zinc/86/07/36/849860736.db2.gz REVPWTINEANVJL-NJDAHSKKSA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077132180 849860745 /nfs/dbraw/zinc/86/07/45/849860745.db2.gz REVPWTINEANVJL-NJDAHSKKSA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077132180 849860753 /nfs/dbraw/zinc/86/07/53/849860753.db2.gz REVPWTINEANVJL-NJDAHSKKSA-N 2 2 369.509 1.462 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001077396245 850818272 /nfs/dbraw/zinc/81/82/72/850818272.db2.gz WFNUVNNCVSBECW-RTBURBONSA-N 2 2 361.405 1.181 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001077396245 850818281 /nfs/dbraw/zinc/81/82/81/850818281.db2.gz WFNUVNNCVSBECW-RTBURBONSA-N 2 2 361.405 1.181 20 30 FDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000669014573 860164358 /nfs/dbraw/zinc/16/43/58/860164358.db2.gz RGUGWKRGGMNCHG-IKGGRYGDSA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000669014573 860164364 /nfs/dbraw/zinc/16/43/64/860164364.db2.gz RGUGWKRGGMNCHG-IKGGRYGDSA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000669014573 860164374 /nfs/dbraw/zinc/16/43/74/860164374.db2.gz RGUGWKRGGMNCHG-IKGGRYGDSA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000669014573 860164380 /nfs/dbraw/zinc/16/43/80/860164380.db2.gz RGUGWKRGGMNCHG-IKGGRYGDSA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106876980 881881031 /nfs/dbraw/zinc/88/10/31/881881031.db2.gz HQWOPFKWLNNRJY-QLFBSQMISA-N 2 2 361.490 1.062 20 30 FDEDLP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000466072123 872534417 /nfs/dbraw/zinc/53/44/17/872534417.db2.gz XEGWHNHSQIIBBG-UHFFFAOYSA-N 2 2 373.501 1.354 20 30 FDEDLP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000466072123 872534433 /nfs/dbraw/zinc/53/44/33/872534433.db2.gz XEGWHNHSQIIBBG-UHFFFAOYSA-N 2 2 373.501 1.354 20 30 FDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999769411 913256681 /nfs/dbraw/zinc/25/66/81/913256681.db2.gz DXMZNXIGNHBMIQ-BBWFWOEESA-N 2 2 371.909 1.199 20 30 FDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000923560057 889796180 /nfs/dbraw/zinc/79/61/80/889796180.db2.gz YMCPREZQENTFGT-MRXNPFEDSA-N 2 2 350.466 1.983 20 30 FDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000923560057 889796189 /nfs/dbraw/zinc/79/61/89/889796189.db2.gz YMCPREZQENTFGT-MRXNPFEDSA-N 2 2 350.466 1.983 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000923560057 889796195 /nfs/dbraw/zinc/79/61/95/889796195.db2.gz YMCPREZQENTFGT-MRXNPFEDSA-N 2 2 350.466 1.983 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000923560057 889796204 /nfs/dbraw/zinc/79/62/04/889796204.db2.gz YMCPREZQENTFGT-MRXNPFEDSA-N 2 2 350.466 1.983 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084232082 913783648 /nfs/dbraw/zinc/78/36/48/913783648.db2.gz SNQIDVOCRNIUHJ-NZSAHSFTSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084232082 913783655 /nfs/dbraw/zinc/78/36/55/913783655.db2.gz SNQIDVOCRNIUHJ-NZSAHSFTSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084232082 913783669 /nfs/dbraw/zinc/78/36/69/913783669.db2.gz SNQIDVOCRNIUHJ-NZSAHSFTSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084232082 913783684 /nfs/dbraw/zinc/78/36/84/913783684.db2.gz SNQIDVOCRNIUHJ-NZSAHSFTSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084232230 913784029 /nfs/dbraw/zinc/78/40/29/913784029.db2.gz XNESFDHHTCVBSS-AYOQOUSVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084232230 913784044 /nfs/dbraw/zinc/78/40/44/913784044.db2.gz XNESFDHHTCVBSS-AYOQOUSVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084232230 913784059 /nfs/dbraw/zinc/78/40/59/913784059.db2.gz XNESFDHHTCVBSS-AYOQOUSVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084232230 913784073 /nfs/dbraw/zinc/78/40/73/913784073.db2.gz XNESFDHHTCVBSS-AYOQOUSVSA-N 2 2 356.445 1.824 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079710606 903121404 /nfs/dbraw/zinc/12/14/04/903121404.db2.gz PLGWWFQZJAMYEB-BYCMXARLSA-N 2 2 356.308 1.673 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079710606 903121407 /nfs/dbraw/zinc/12/14/07/903121407.db2.gz PLGWWFQZJAMYEB-BYCMXARLSA-N 2 2 356.308 1.673 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080324963 905156131 /nfs/dbraw/zinc/15/61/31/905156131.db2.gz KZIADEPADJQUHL-NSISKUIASA-N 2 2 370.497 1.604 20 30 FDEDLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080324963 905156139 /nfs/dbraw/zinc/15/61/39/905156139.db2.gz KZIADEPADJQUHL-NSISKUIASA-N 2 2 370.497 1.604 20 30 FDEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080324963 905156152 /nfs/dbraw/zinc/15/61/52/905156152.db2.gz KZIADEPADJQUHL-NSISKUIASA-N 2 2 370.497 1.604 20 30 FDEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080324963 905156160 /nfs/dbraw/zinc/15/61/60/905156160.db2.gz KZIADEPADJQUHL-NSISKUIASA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080779465 906243108 /nfs/dbraw/zinc/24/31/08/906243108.db2.gz OUJJXBJOXDDLGV-ZRGWGRIASA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080779465 906243128 /nfs/dbraw/zinc/24/31/28/906243128.db2.gz OUJJXBJOXDDLGV-ZRGWGRIASA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080779465 906243143 /nfs/dbraw/zinc/24/31/43/906243143.db2.gz OUJJXBJOXDDLGV-ZRGWGRIASA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080779465 906243158 /nfs/dbraw/zinc/24/31/58/906243158.db2.gz OUJJXBJOXDDLGV-ZRGWGRIASA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077774426 907810313 /nfs/dbraw/zinc/81/03/13/907810313.db2.gz ZZJNEPRDTUPASV-PWIZWCRZSA-N 2 2 370.497 1.484 20 30 FDEDLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077774426 907810329 /nfs/dbraw/zinc/81/03/29/907810329.db2.gz ZZJNEPRDTUPASV-PWIZWCRZSA-N 2 2 370.497 1.484 20 30 FDEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)ccc1F ZINC001084832803 917535111 /nfs/dbraw/zinc/53/51/11/917535111.db2.gz YRZCOPXURUKNMQ-VQIMIIECSA-N 2 2 356.445 1.826 20 30 FDEDLP N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)ccc1F ZINC001084832803 917535115 /nfs/dbraw/zinc/53/51/15/917535115.db2.gz YRZCOPXURUKNMQ-VQIMIIECSA-N 2 2 356.445 1.826 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H](C)c4ncc(C)o4)C[C@H]32)CC1 ZINC001084851105 917658350 /nfs/dbraw/zinc/65/83/50/917658350.db2.gz MYTGPSNNOTZUKE-QXAKKESOSA-N 2 2 370.497 1.922 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)c4ncc(C)o4)C[C@H]32)CC1 ZINC001084851105 917658362 /nfs/dbraw/zinc/65/83/62/917658362.db2.gz MYTGPSNNOTZUKE-QXAKKESOSA-N 2 2 370.497 1.922 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)n(C)n1 ZINC001085229734 922981885 /nfs/dbraw/zinc/98/18/85/922981885.db2.gz HVFWSAMMFXRJEU-QRVBRYPASA-N 2 2 357.502 1.343 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)n(C)n1 ZINC001085229734 922981887 /nfs/dbraw/zinc/98/18/87/922981887.db2.gz HVFWSAMMFXRJEU-QRVBRYPASA-N 2 2 357.502 1.343 20 30 FDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001086156916 926167892 /nfs/dbraw/zinc/16/78/92/926167892.db2.gz WIDWHIREPYAOQG-TWMKSMIVSA-N 2 2 371.909 1.103 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109527313 929675771 /nfs/dbraw/zinc/67/57/71/929675771.db2.gz OPEXHAUYLVJFKG-SQNIBIBYSA-N 2 2 371.485 1.114 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109527313 929675777 /nfs/dbraw/zinc/67/57/77/929675777.db2.gz OPEXHAUYLVJFKG-SQNIBIBYSA-N 2 2 371.485 1.114 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110101883 938376425 /nfs/dbraw/zinc/37/64/25/938376425.db2.gz JPYHONFJKDKEGW-SQNIBIBYSA-N 2 2 360.502 1.004 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110101883 938376430 /nfs/dbraw/zinc/37/64/30/938376430.db2.gz JPYHONFJKDKEGW-SQNIBIBYSA-N 2 2 360.502 1.004 20 30 FDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129460352 938435882 /nfs/dbraw/zinc/43/58/82/938435882.db2.gz KAUWEFQMLNXQJO-SQNIBIBYSA-N 2 2 360.506 1.316 20 30 FDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129460352 938435884 /nfs/dbraw/zinc/43/58/84/938435884.db2.gz KAUWEFQMLNXQJO-SQNIBIBYSA-N 2 2 360.506 1.316 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130012197 938614830 /nfs/dbraw/zinc/61/48/30/938614830.db2.gz UJQTXPWAJZDPTJ-KONPQCLYSA-N 2 2 369.473 1.123 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131079874 940487360 /nfs/dbraw/zinc/48/73/60/940487360.db2.gz YVPDYJMOAQAXRH-GVDBMIGSSA-N 2 2 356.474 1.728 20 30 FDEDLP C#CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000808304747 940539442 /nfs/dbraw/zinc/53/94/42/940539442.db2.gz QYXLFSJHMBCCQB-QZTJIDSGSA-N 2 2 355.548 1.609 20 30 FDEDLP C#CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000808304747 940539443 /nfs/dbraw/zinc/53/94/43/940539443.db2.gz QYXLFSJHMBCCQB-QZTJIDSGSA-N 2 2 355.548 1.609 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)OCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000817183075 942615992 /nfs/dbraw/zinc/61/59/92/942615992.db2.gz ROFGUCNIEVDURF-UHFFFAOYSA-N 2 2 356.466 1.907 20 30 FDEDLP C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000847021870 951774533 /nfs/dbraw/zinc/77/45/33/951774533.db2.gz CGOOWWOQRRMJLK-GOSISDBHSA-N 2 2 369.513 1.902 20 30 FDEDLP C#C[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000847021870 951774537 /nfs/dbraw/zinc/77/45/37/951774537.db2.gz CGOOWWOQRRMJLK-GOSISDBHSA-N 2 2 369.513 1.902 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985011 953000426 /nfs/dbraw/zinc/00/04/26/953000426.db2.gz PCURGHFSUUPGEV-AYOQOUSVSA-N 2 2 368.485 1.339 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001094074543 959700946 /nfs/dbraw/zinc/70/09/46/959700946.db2.gz IJKCXQALYBLDJP-RHSMWYFYSA-N 2 2 367.453 1.717 20 30 FDEDLP C#C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCCO1 ZINC000775793541 972513241 /nfs/dbraw/zinc/51/32/41/972513241.db2.gz MCBKIJGRDYBTDD-RBUKOAKNSA-N 2 2 373.522 1.944 20 30 FDEDLP C[NH+]1CCC(CO)([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172977877 961860930 /nfs/dbraw/zinc/86/09/30/961860930.db2.gz GQHQCSDOTKZEDW-CABCVRRESA-N 2 2 352.479 1.324 20 30 FDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC12CCOCC2 ZINC001186402273 964473818 /nfs/dbraw/zinc/47/38/18/964473818.db2.gz KCBPYOWDMIORRW-BRWVUGGUSA-N 2 2 358.486 1.934 20 30 FDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC12CCOCC2 ZINC001186402273 964473823 /nfs/dbraw/zinc/47/38/23/964473823.db2.gz KCBPYOWDMIORRW-BRWVUGGUSA-N 2 2 358.486 1.934 20 30 FDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC12CCOCC2 ZINC001186505788 964533928 /nfs/dbraw/zinc/53/39/28/964533928.db2.gz WGLBKWKFUHQXGD-RCCFBDPRSA-N 2 2 370.497 1.392 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661414 967839608 /nfs/dbraw/zinc/83/96/08/967839608.db2.gz RVYFTPRGWFJANA-YRXWBPOGSA-N 2 2 374.529 1.417 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661414 967839624 /nfs/dbraw/zinc/83/96/24/967839624.db2.gz RVYFTPRGWFJANA-YRXWBPOGSA-N 2 2 374.529 1.417 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110661414 967839645 /nfs/dbraw/zinc/83/96/45/967839645.db2.gz RVYFTPRGWFJANA-YRXWBPOGSA-N 2 2 374.529 1.417 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110661414 967839657 /nfs/dbraw/zinc/83/96/57/967839657.db2.gz RVYFTPRGWFJANA-YRXWBPOGSA-N 2 2 374.529 1.417 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)C[C@H]1O ZINC001193849833 969895899 /nfs/dbraw/zinc/89/58/99/969895899.db2.gz OXQPIUVQBZDELL-HIUNTZKUSA-N 2 2 367.493 1.349 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C/c2ccccc2)C[C@H]1O ZINC001193849833 969895904 /nfs/dbraw/zinc/89/59/04/969895904.db2.gz OXQPIUVQBZDELL-HIUNTZKUSA-N 2 2 367.493 1.349 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/c2ccccc2)C[C@H]1O ZINC001193849833 969895907 /nfs/dbraw/zinc/89/59/07/969895907.db2.gz OXQPIUVQBZDELL-HIUNTZKUSA-N 2 2 367.493 1.349 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/c2ccccc2)C[C@H]1O ZINC001193849833 969895908 /nfs/dbraw/zinc/89/59/08/969895908.db2.gz OXQPIUVQBZDELL-HIUNTZKUSA-N 2 2 367.493 1.349 20 30 FDEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000866668603 975891239 /nfs/dbraw/zinc/89/12/39/975891239.db2.gz SPAOQYBFBFNDJY-RBUKOAKNSA-N 2 2 357.454 1.863 20 30 FDEDLP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110630347 978877021 /nfs/dbraw/zinc/87/70/21/978877021.db2.gz XXBPMTVTDYRIEW-CRAIPNDOSA-N 2 2 355.486 1.556 20 30 FDEDLP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110630347 978877026 /nfs/dbraw/zinc/87/70/26/978877026.db2.gz XXBPMTVTDYRIEW-CRAIPNDOSA-N 2 2 355.486 1.556 20 30 FDEDLP C#CCOc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883371870 982100615 /nfs/dbraw/zinc/10/06/15/982100615.db2.gz CKNCIASMEPLJQB-FQEVSTJZSA-N 2 2 357.498 1.585 20 30 FDEDLP C#CC[C@@H](CCOC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000859024363 982464237 /nfs/dbraw/zinc/46/42/37/982464237.db2.gz FBUDZXBUJCTNRQ-SFHVURJKSA-N 2 2 364.534 1.664 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000884044399 982748153 /nfs/dbraw/zinc/74/81/53/982748153.db2.gz GYQTUNXOSOJKRH-LJQANCHMSA-N 2 2 351.454 1.828 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000884044399 982748163 /nfs/dbraw/zinc/74/81/63/982748163.db2.gz GYQTUNXOSOJKRH-LJQANCHMSA-N 2 2 351.454 1.828 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000884261512 983035895 /nfs/dbraw/zinc/03/58/95/983035895.db2.gz NLJDFDCWANCVPJ-GOSISDBHSA-N 2 2 355.486 1.887 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000884261512 983035900 /nfs/dbraw/zinc/03/59/00/983035900.db2.gz NLJDFDCWANCVPJ-GOSISDBHSA-N 2 2 355.486 1.887 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000884378675 983127355 /nfs/dbraw/zinc/12/73/55/983127355.db2.gz ZQIYSZWTYVHRTQ-AEFFLSMTSA-N 2 2 365.518 1.936 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000884378675 983127362 /nfs/dbraw/zinc/12/73/62/983127362.db2.gz ZQIYSZWTYVHRTQ-AEFFLSMTSA-N 2 2 365.518 1.936 20 30 FDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C/C[NH+]3CCOCC3)CC2)c1 ZINC000869164471 984920161 /nfs/dbraw/zinc/92/01/61/984920161.db2.gz WIQYNFARCJYHTJ-GORDUTHDSA-N 2 2 368.481 1.527 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000365768041 988063054 /nfs/dbraw/zinc/06/30/54/988063054.db2.gz ZXNSDTLZZDDLPU-HXUWFJFHSA-N 2 2 369.513 1.276 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000365768041 988063073 /nfs/dbraw/zinc/06/30/73/988063073.db2.gz ZXNSDTLZZDDLPU-HXUWFJFHSA-N 2 2 369.513 1.276 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000362308610 988630008 /nfs/dbraw/zinc/63/00/08/988630008.db2.gz GDGDJPHVKMWSMM-FYQPLNBISA-N 2 2 373.545 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000362308610 988630012 /nfs/dbraw/zinc/63/00/12/988630012.db2.gz GDGDJPHVKMWSMM-FYQPLNBISA-N 2 2 373.545 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000362308610 988630020 /nfs/dbraw/zinc/63/00/20/988630020.db2.gz GDGDJPHVKMWSMM-FYQPLNBISA-N 2 2 373.545 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000362308610 988630026 /nfs/dbraw/zinc/63/00/26/988630026.db2.gz GDGDJPHVKMWSMM-FYQPLNBISA-N 2 2 373.545 1.095 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718764 988715169 /nfs/dbraw/zinc/71/51/69/988715169.db2.gz BAEAHLPPZXGKNF-OXQOHEQNSA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718764 988715173 /nfs/dbraw/zinc/71/51/73/988715173.db2.gz BAEAHLPPZXGKNF-OXQOHEQNSA-N 2 2 369.513 1.986 20 30 FDEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371664431 990609110 /nfs/dbraw/zinc/60/91/10/990609110.db2.gz SZRXNGPLIBSBPK-HXUWFJFHSA-N 2 2 357.498 1.585 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000875182395 991021782 /nfs/dbraw/zinc/02/17/82/991021782.db2.gz MPEBFSFCWQEHLK-LJQANCHMSA-N 2 2 370.497 1.446 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000875182395 991021797 /nfs/dbraw/zinc/02/17/97/991021797.db2.gz MPEBFSFCWQEHLK-LJQANCHMSA-N 2 2 370.497 1.446 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372369653 991049586 /nfs/dbraw/zinc/04/95/86/991049586.db2.gz NJGQCIHADRNXRT-IEBWSBKVSA-N 2 2 369.513 1.845 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372369653 991049593 /nfs/dbraw/zinc/04/95/93/991049593.db2.gz NJGQCIHADRNXRT-IEBWSBKVSA-N 2 2 369.513 1.845 20 30 FDEDLP C=CCNC(=O)c1ccc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000374256246 992738148 /nfs/dbraw/zinc/73/81/48/992738148.db2.gz NBNDNLAZPHEXSM-MRXNPFEDSA-N 2 2 357.502 1.602 20 30 FDEDLP C=CCNC(=O)c1ccc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000374256246 992738155 /nfs/dbraw/zinc/73/81/55/992738155.db2.gz NBNDNLAZPHEXSM-MRXNPFEDSA-N 2 2 357.502 1.602 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000876736637 992852848 /nfs/dbraw/zinc/85/28/48/992852848.db2.gz MHSBWTTXNWDDTI-LJQANCHMSA-N 2 2 366.490 1.981 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000876736637 992852854 /nfs/dbraw/zinc/85/28/54/992852854.db2.gz MHSBWTTXNWDDTI-LJQANCHMSA-N 2 2 366.490 1.981 20 30 FDEDLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1OCCCC#N ZINC000264618459 997555965 /nfs/dbraw/zinc/55/59/65/997555965.db2.gz RBWOQZDLNOFZHZ-QGZVFWFLSA-N 2 2 374.485 1.807 20 30 FDEDLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1OCCCC#N ZINC000264618459 997555973 /nfs/dbraw/zinc/55/59/73/997555973.db2.gz RBWOQZDLNOFZHZ-QGZVFWFLSA-N 2 2 374.485 1.807 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000104170643 998313714 /nfs/dbraw/zinc/31/37/14/998313714.db2.gz KQFJZUDJTPJNIJ-UYAOXDASSA-N 3 2 372.561 1.586 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000104170643 998313726 /nfs/dbraw/zinc/31/37/26/998313726.db2.gz KQFJZUDJTPJNIJ-UYAOXDASSA-N 3 2 372.561 1.586 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccccc3CC#N)CC2)CC1 ZINC000777375230 999044996 /nfs/dbraw/zinc/04/49/96/999044996.db2.gz OZTZHECGJGOZDT-UHFFFAOYSA-N 2 2 354.498 1.970 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948870 1001643884 /nfs/dbraw/zinc/64/38/84/1001643884.db2.gz OWYQFBRZJMGNPS-DZUCGIPZSA-N 2 2 374.485 1.367 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948870 1001643895 /nfs/dbraw/zinc/64/38/95/1001643895.db2.gz OWYQFBRZJMGNPS-DZUCGIPZSA-N 2 2 374.485 1.367 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245442988 178358463 /nfs/dbraw/zinc/35/84/63/178358463.db2.gz WSZKQWGBBHFNQH-IEBWSBKVSA-N 2 2 369.513 1.987 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245442988 178358465 /nfs/dbraw/zinc/35/84/65/178358465.db2.gz WSZKQWGBBHFNQH-IEBWSBKVSA-N 2 2 369.513 1.987 20 30 FDEDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000556207858 544118133 /nfs/dbraw/zinc/11/81/33/544118133.db2.gz VMILXNASLZVKQV-UHFFFAOYSA-N 2 2 362.441 1.038 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332086092 259240469 /nfs/dbraw/zinc/24/04/69/259240469.db2.gz QZLSDMUSPXFONL-IAGOWNOFSA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332086092 259240470 /nfs/dbraw/zinc/24/04/70/259240470.db2.gz QZLSDMUSPXFONL-IAGOWNOFSA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368680483 260220206 /nfs/dbraw/zinc/22/02/06/260220206.db2.gz MZGHJPBDKKGIQL-INIZCTEOSA-N 2 2 372.469 1.044 20 30 FDEDLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(C#N)CC3)CC2)cc1 ZINC000057878064 522174940 /nfs/dbraw/zinc/17/49/40/522174940.db2.gz MULOXFDQCHMEAF-UHFFFAOYSA-N 2 2 370.497 1.965 20 30 FDEDLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(C#N)CC3)CC2)cc1 ZINC000057878064 522174946 /nfs/dbraw/zinc/17/49/46/522174946.db2.gz MULOXFDQCHMEAF-UHFFFAOYSA-N 2 2 370.497 1.965 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC000066920860 523264748 /nfs/dbraw/zinc/26/47/48/523264748.db2.gz KQEWYNNTWNJBAS-OAQYLSRUSA-N 2 2 369.509 1.830 20 30 FDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)n2c1 ZINC000123273049 524717726 /nfs/dbraw/zinc/71/77/26/524717726.db2.gz HECXQCZVLXRWLH-HXUWFJFHSA-N 2 2 361.449 1.715 20 30 FDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)n2c1 ZINC000123273049 524717727 /nfs/dbraw/zinc/71/77/27/524717727.db2.gz HECXQCZVLXRWLH-HXUWFJFHSA-N 2 2 361.449 1.715 20 30 FDEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000114183072 524757043 /nfs/dbraw/zinc/75/70/43/524757043.db2.gz KOPLTFGSLYSBQT-UHFFFAOYSA-N 2 2 364.453 1.109 20 30 FDEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000114183072 524757050 /nfs/dbraw/zinc/75/70/50/524757050.db2.gz KOPLTFGSLYSBQT-UHFFFAOYSA-N 2 2 364.453 1.109 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119642103 525815096 /nfs/dbraw/zinc/81/50/96/525815096.db2.gz KNWLAZNETMEQCP-WMWLNJEOSA-N 2 2 361.534 1.284 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119642103 525815104 /nfs/dbraw/zinc/81/51/04/525815104.db2.gz KNWLAZNETMEQCP-WMWLNJEOSA-N 2 2 361.534 1.284 20 30 FDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000132322026 525955886 /nfs/dbraw/zinc/95/58/86/525955886.db2.gz OBBQPFIWFBTMFV-GOSISDBHSA-N 2 2 366.531 1.547 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCC#N)CC(C)(C)C)C1 ZINC000109812563 526192125 /nfs/dbraw/zinc/19/21/25/526192125.db2.gz WSGYHBNWAHKYPM-QGZVFWFLSA-N 2 2 352.523 1.721 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCC#N)CC(C)(C)C)C1 ZINC000109812563 526192127 /nfs/dbraw/zinc/19/21/27/526192127.db2.gz WSGYHBNWAHKYPM-QGZVFWFLSA-N 2 2 352.523 1.721 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCC#N)CC(C)(C)C)C1 ZINC000109812563 526192137 /nfs/dbraw/zinc/19/21/37/526192137.db2.gz WSGYHBNWAHKYPM-QGZVFWFLSA-N 2 2 352.523 1.721 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)C1 ZINC000109812563 526192141 /nfs/dbraw/zinc/19/21/41/526192141.db2.gz WSGYHBNWAHKYPM-QGZVFWFLSA-N 2 2 352.523 1.721 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324295 536290383 /nfs/dbraw/zinc/29/03/83/536290383.db2.gz FHFGXLYOKNYGGH-OAQYLSRUSA-N 2 2 359.514 1.980 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324295 536290384 /nfs/dbraw/zinc/29/03/84/536290384.db2.gz FHFGXLYOKNYGGH-OAQYLSRUSA-N 2 2 359.514 1.980 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188324295 536290385 /nfs/dbraw/zinc/29/03/85/536290385.db2.gz FHFGXLYOKNYGGH-OAQYLSRUSA-N 2 2 359.514 1.980 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188324295 536290386 /nfs/dbraw/zinc/29/03/86/536290386.db2.gz FHFGXLYOKNYGGH-OAQYLSRUSA-N 2 2 359.514 1.980 20 30 FDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247322394 537107629 /nfs/dbraw/zinc/10/76/29/537107629.db2.gz SRPKMDMSJJFPFS-QZTJIDSGSA-N 2 2 354.454 1.986 20 30 FDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247322394 537107631 /nfs/dbraw/zinc/10/76/31/537107631.db2.gz SRPKMDMSJJFPFS-QZTJIDSGSA-N 2 2 354.454 1.986 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280357728 537401056 /nfs/dbraw/zinc/40/10/56/537401056.db2.gz KZDCMKJINFRMCY-GOSISDBHSA-N 2 2 353.470 1.383 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000377676307 537995088 /nfs/dbraw/zinc/99/50/88/537995088.db2.gz PXQZRTMBSUNABN-GOSISDBHSA-N 2 2 352.486 1.808 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000377676307 537995092 /nfs/dbraw/zinc/99/50/92/537995092.db2.gz PXQZRTMBSUNABN-GOSISDBHSA-N 2 2 352.486 1.808 20 30 FDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000424133352 538244283 /nfs/dbraw/zinc/24/42/83/538244283.db2.gz MBAIJKKZEKPIMT-LBPRGKRZSA-N 2 2 350.220 1.734 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424152102 538247176 /nfs/dbraw/zinc/24/71/76/538247176.db2.gz IGMUJTYPQHMHOA-MJGOQNOKSA-N 2 2 358.486 1.757 20 30 FDEDLP C[NH+]1CCC(C#N)(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000560863346 545622287 /nfs/dbraw/zinc/62/22/87/545622287.db2.gz IATTVUAQSYYQJX-SFHVURJKSA-N 2 2 356.470 1.382 20 30 FDEDLP C[NH+]1CCC(C#N)(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000560863346 545622290 /nfs/dbraw/zinc/62/22/90/545622290.db2.gz IATTVUAQSYYQJX-SFHVURJKSA-N 2 2 356.470 1.382 20 30 FDEDLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000567806413 548266419 /nfs/dbraw/zinc/26/64/19/548266419.db2.gz FDYBXVCJXXUZDY-GOSISDBHSA-N 2 2 359.474 1.272 20 30 FDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000570444505 549281991 /nfs/dbraw/zinc/28/19/91/549281991.db2.gz QLWYHHQJBMAEKZ-UHFFFAOYSA-N 2 2 358.467 1.697 20 30 FDEDLP COCCC[NH+]1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000570509283 549305467 /nfs/dbraw/zinc/30/54/67/549305467.db2.gz WUOALDLTXWNAHL-UHFFFAOYSA-N 2 2 365.499 1.422 20 30 FDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CCC1 ZINC000572572936 549944483 /nfs/dbraw/zinc/94/44/83/549944483.db2.gz AXRWNTQPNILMTO-MRXNPFEDSA-N 2 2 369.469 1.697 20 30 FDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CCC1 ZINC000572572936 549944486 /nfs/dbraw/zinc/94/44/86/549944486.db2.gz AXRWNTQPNILMTO-MRXNPFEDSA-N 2 2 369.469 1.697 20 30 FDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930616 551033625 /nfs/dbraw/zinc/03/36/25/551033625.db2.gz QSKDFFNUTXVANL-QFBILLFUSA-N 2 2 359.470 1.483 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000582163013 551183896 /nfs/dbraw/zinc/18/38/96/551183896.db2.gz XBIXBXOYYTZAQB-OYRHEFFESA-N 2 2 354.498 1.975 20 30 FDEDLP C[NH+]1CCC(CCO)([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000583154102 551311339 /nfs/dbraw/zinc/31/13/39/551311339.db2.gz YILPNDQVUVXHHP-UHFFFAOYSA-N 2 2 356.514 1.959 20 30 FDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000590600454 551797041 /nfs/dbraw/zinc/79/70/41/551797041.db2.gz PDKGVTAFGLWXDQ-IBGZPJMESA-N 2 2 356.470 1.361 20 30 FDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000590600454 551797042 /nfs/dbraw/zinc/79/70/42/551797042.db2.gz PDKGVTAFGLWXDQ-IBGZPJMESA-N 2 2 356.470 1.361 20 30 FDEDLP N#CC[C@@]1(O)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000592148222 551949768 /nfs/dbraw/zinc/94/97/68/551949768.db2.gz WSUAAPSLWABQKY-HXUWFJFHSA-N 2 2 356.470 1.249 20 30 FDEDLP N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000592148222 551949769 /nfs/dbraw/zinc/94/97/69/551949769.db2.gz WSUAAPSLWABQKY-HXUWFJFHSA-N 2 2 356.470 1.249 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000594803484 552390850 /nfs/dbraw/zinc/39/08/50/552390850.db2.gz OVTYTFGMHNLZHF-INIZCTEOSA-N 2 2 366.531 1.444 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000594803484 552390852 /nfs/dbraw/zinc/39/08/52/552390852.db2.gz OVTYTFGMHNLZHF-INIZCTEOSA-N 2 2 366.531 1.444 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000594822258 552398992 /nfs/dbraw/zinc/39/89/92/552398992.db2.gz ULSVZJKOYLGFMJ-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000594822258 552398994 /nfs/dbraw/zinc/39/89/94/552398994.db2.gz ULSVZJKOYLGFMJ-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP CC(C)[C@H](C#N)N1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602794110 553640360 /nfs/dbraw/zinc/64/03/60/553640360.db2.gz FNWIVHNFYCYSDK-LEWJYISDSA-N 2 2 356.514 1.789 20 30 FDEDLP CN(C(=O)CNc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559746 554393415 /nfs/dbraw/zinc/39/34/15/554393415.db2.gz NTKVKDYWDUYBAK-IBGZPJMESA-N 2 2 355.486 1.597 20 30 FDEDLP CN(C(=O)CNc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559746 554393416 /nfs/dbraw/zinc/39/34/16/554393416.db2.gz NTKVKDYWDUYBAK-IBGZPJMESA-N 2 2 355.486 1.597 20 30 FDEDLP N#CCCN1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000611174751 554612356 /nfs/dbraw/zinc/61/23/56/554612356.db2.gz PTRKRXITXNWVLJ-UHFFFAOYSA-N 2 2 369.513 1.430 20 30 FDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)CC[N@@H+]1C ZINC000330331836 568249367 /nfs/dbraw/zinc/24/93/67/568249367.db2.gz OJYOVOIUWWTZSQ-BZUAXINKSA-N 2 2 361.490 1.997 20 30 FDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)CC[N@H+]1C ZINC000330331836 568249368 /nfs/dbraw/zinc/24/93/68/568249368.db2.gz OJYOVOIUWWTZSQ-BZUAXINKSA-N 2 2 361.490 1.997 20 30 FDEDLP CC[NH+]=C(NCC1([NH+](C)C)CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262015326 672712195 /nfs/dbraw/zinc/71/21/95/672712195.db2.gz XOZKSOSCZPDQDY-UHFFFAOYSA-N 2 2 372.579 1.725 20 30 FDEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000330507536 676694453 /nfs/dbraw/zinc/69/44/53/676694453.db2.gz BCRMQINWXFHBAW-MRXNPFEDSA-N 2 2 351.470 1.137 20 30 FDEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000330507536 676694456 /nfs/dbraw/zinc/69/44/56/676694456.db2.gz BCRMQINWXFHBAW-MRXNPFEDSA-N 2 2 351.470 1.137 20 30 FDEDLP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000532976805 694898489 /nfs/dbraw/zinc/89/84/89/694898489.db2.gz PMFCJERYBPHMBT-UHFFFAOYSA-N 2 2 350.488 1.727 20 30 FDEDLP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000532976805 694898491 /nfs/dbraw/zinc/89/84/91/694898491.db2.gz PMFCJERYBPHMBT-UHFFFAOYSA-N 2 2 350.488 1.727 20 30 FDEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083193430 771095865 /nfs/dbraw/zinc/09/58/65/771095865.db2.gz RLTFDTBQUMSMSV-LSTHTHJFSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083193430 771095872 /nfs/dbraw/zinc/09/58/72/771095872.db2.gz RLTFDTBQUMSMSV-LSTHTHJFSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083193430 771095881 /nfs/dbraw/zinc/09/58/81/771095881.db2.gz RLTFDTBQUMSMSV-LSTHTHJFSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083193430 771095886 /nfs/dbraw/zinc/09/58/86/771095886.db2.gz RLTFDTBQUMSMSV-LSTHTHJFSA-N 2 2 368.481 1.454 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000276572723 778234226 /nfs/dbraw/zinc/23/42/26/778234226.db2.gz LITAHPCHWGKUHT-UHFFFAOYSA-N 2 2 351.454 1.959 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000276572723 778234230 /nfs/dbraw/zinc/23/42/30/778234230.db2.gz LITAHPCHWGKUHT-UHFFFAOYSA-N 2 2 351.454 1.959 20 30 FDEDLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000328946445 779442267 /nfs/dbraw/zinc/44/22/67/779442267.db2.gz VKKFEBPHYQAAPY-GOSISDBHSA-N 2 2 360.502 1.875 20 30 FDEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328946445 779442283 /nfs/dbraw/zinc/44/22/83/779442283.db2.gz VKKFEBPHYQAAPY-GOSISDBHSA-N 2 2 360.502 1.875 20 30 FDEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328946445 779442290 /nfs/dbraw/zinc/44/22/90/779442290.db2.gz VKKFEBPHYQAAPY-GOSISDBHSA-N 2 2 360.502 1.875 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083276176 787298586 /nfs/dbraw/zinc/29/85/86/787298586.db2.gz PISUPKQGNUARCG-RBUKOAKNSA-N 2 2 365.437 1.175 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083276176 787298589 /nfs/dbraw/zinc/29/85/89/787298589.db2.gz PISUPKQGNUARCG-RBUKOAKNSA-N 2 2 365.437 1.175 20 30 FDEDLP C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376448779 787834988 /nfs/dbraw/zinc/83/49/88/787834988.db2.gz KDEPDMWBXGZNLW-ZDUSSCGKSA-N 2 2 358.446 1.653 20 30 FDEDLP C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376448779 787835002 /nfs/dbraw/zinc/83/50/02/787835002.db2.gz KDEPDMWBXGZNLW-ZDUSSCGKSA-N 2 2 358.446 1.653 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000377829999 792885287 /nfs/dbraw/zinc/88/52/87/792885287.db2.gz AARWSKPQIGIIHG-LJQANCHMSA-N 2 2 355.486 1.597 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000377829999 792885296 /nfs/dbraw/zinc/88/52/96/792885296.db2.gz AARWSKPQIGIIHG-LJQANCHMSA-N 2 2 355.486 1.597 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)CC2(C)C)O1 ZINC000974758179 800229004 /nfs/dbraw/zinc/22/90/04/800229004.db2.gz UXWDWTLTBBLPHK-MISYRCLQSA-N 2 2 369.509 1.584 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)CC2(C)C)O1 ZINC000974758179 800229007 /nfs/dbraw/zinc/22/90/07/800229007.db2.gz UXWDWTLTBBLPHK-MISYRCLQSA-N 2 2 369.509 1.584 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC2(C)C)O1 ZINC000974758179 800229009 /nfs/dbraw/zinc/22/90/09/800229009.db2.gz UXWDWTLTBBLPHK-MISYRCLQSA-N 2 2 369.509 1.584 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC2(C)C)O1 ZINC000974758179 800229011 /nfs/dbraw/zinc/22/90/11/800229011.db2.gz UXWDWTLTBBLPHK-MISYRCLQSA-N 2 2 369.509 1.584 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087456649 810147007 /nfs/dbraw/zinc/14/70/07/810147007.db2.gz IYSOSDPMBXDLFT-RTBURBONSA-N 2 2 354.429 1.938 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087456649 810147009 /nfs/dbraw/zinc/14/70/09/810147009.db2.gz IYSOSDPMBXDLFT-RTBURBONSA-N 2 2 354.429 1.938 20 30 FDEDLP CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261983425 811360698 /nfs/dbraw/zinc/36/06/98/811360698.db2.gz PMWPULLFDMOXTJ-CABCVRRESA-N 2 2 356.478 1.469 20 30 FDEDLP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262001982 811365086 /nfs/dbraw/zinc/36/50/86/811365086.db2.gz UQDYVPZDCVKNRI-ZBFHGGJFSA-N 2 2 356.478 1.535 20 30 FDEDLP C[NH+]=C(NCC(=O)NCc1ccco1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261962845 817813822 /nfs/dbraw/zinc/81/38/22/817813822.db2.gz KQKNZYBKZIMZDU-HOCLYGCPSA-N 2 2 358.446 1.251 20 30 FDEDLP CC(C)[N@H+](C)CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330898598 819653474 /nfs/dbraw/zinc/65/34/74/819653474.db2.gz VCAOCSKCNCSLFI-UHFFFAOYSA-N 2 2 362.478 1.135 20 30 FDEDLP CC(C)[N@@H+](C)CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330898598 819653481 /nfs/dbraw/zinc/65/34/81/819653481.db2.gz VCAOCSKCNCSLFI-UHFFFAOYSA-N 2 2 362.478 1.135 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804173 820676843 /nfs/dbraw/zinc/67/68/43/820676843.db2.gz ZLALSEWYDOKFIP-GOEBONIOSA-N 2 2 351.882 1.344 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804173 820676848 /nfs/dbraw/zinc/67/68/48/820676848.db2.gz ZLALSEWYDOKFIP-GOEBONIOSA-N 2 2 351.882 1.344 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000329953298 825561587 /nfs/dbraw/zinc/56/15/87/825561587.db2.gz NTRATAUHCSEGNZ-MRXNPFEDSA-N 2 2 360.458 1.715 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000329953298 825561599 /nfs/dbraw/zinc/56/15/99/825561599.db2.gz NTRATAUHCSEGNZ-MRXNPFEDSA-N 2 2 360.458 1.715 20 30 FDEDLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329961696 825569074 /nfs/dbraw/zinc/56/90/74/825569074.db2.gz RSXYSWBNNFXYSO-JKSUJKDBSA-N 2 2 361.490 1.545 20 30 FDEDLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329961696 825569085 /nfs/dbraw/zinc/56/90/85/825569085.db2.gz RSXYSWBNNFXYSO-JKSUJKDBSA-N 2 2 361.490 1.545 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088052849 825637014 /nfs/dbraw/zinc/63/70/14/825637014.db2.gz KXRGLFHUHISNLL-AABGKKOBSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088052849 825637017 /nfs/dbraw/zinc/63/70/17/825637017.db2.gz KXRGLFHUHISNLL-AABGKKOBSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088052849 825637020 /nfs/dbraw/zinc/63/70/20/825637020.db2.gz KXRGLFHUHISNLL-AABGKKOBSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088052849 825637023 /nfs/dbraw/zinc/63/70/23/825637023.db2.gz KXRGLFHUHISNLL-AABGKKOBSA-N 2 2 361.530 1.844 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088052990 825637710 /nfs/dbraw/zinc/63/77/10/825637710.db2.gz PPUDRGUMWBTXRB-HSALFYBXSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088052990 825637712 /nfs/dbraw/zinc/63/77/12/825637712.db2.gz PPUDRGUMWBTXRB-HSALFYBXSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088052990 825637714 /nfs/dbraw/zinc/63/77/14/825637714.db2.gz PPUDRGUMWBTXRB-HSALFYBXSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088052990 825637718 /nfs/dbraw/zinc/63/77/18/825637718.db2.gz PPUDRGUMWBTXRB-HSALFYBXSA-N 2 2 359.514 1.291 20 30 FDEDLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000330189106 825712702 /nfs/dbraw/zinc/71/27/02/825712702.db2.gz LOWHZRHNYXSNTN-UYAOXDASSA-N 2 2 360.502 1.875 20 30 FDEDLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000330189106 825712710 /nfs/dbraw/zinc/71/27/10/825712710.db2.gz LOWHZRHNYXSNTN-UYAOXDASSA-N 2 2 360.502 1.875 20 30 FDEDLP C[NH+]1CCO[C@H](CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000330189106 825712721 /nfs/dbraw/zinc/71/27/21/825712721.db2.gz LOWHZRHNYXSNTN-UYAOXDASSA-N 2 2 360.502 1.875 20 30 FDEDLP C[NH+]1CCO[C@H](CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000330189106 825712730 /nfs/dbraw/zinc/71/27/30/825712730.db2.gz LOWHZRHNYXSNTN-UYAOXDASSA-N 2 2 360.502 1.875 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281967240 826360124 /nfs/dbraw/zinc/36/01/24/826360124.db2.gz GPNPDIWUQYRSLW-LSDHHAIUSA-N 2 2 359.474 1.799 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281967240 826360133 /nfs/dbraw/zinc/36/01/33/826360133.db2.gz GPNPDIWUQYRSLW-LSDHHAIUSA-N 2 2 359.474 1.799 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088126480 826530812 /nfs/dbraw/zinc/53/08/12/826530812.db2.gz GUTVBYLZIWAEEC-MOPGFXCFSA-N 2 2 359.514 1.435 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088126480 826530815 /nfs/dbraw/zinc/53/08/15/826530815.db2.gz GUTVBYLZIWAEEC-MOPGFXCFSA-N 2 2 359.514 1.435 20 30 FDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000985550002 828163604 /nfs/dbraw/zinc/16/36/04/828163604.db2.gz LWGQZSMRODLSOL-MOPGFXCFSA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000985550002 828163607 /nfs/dbraw/zinc/16/36/07/828163607.db2.gz LWGQZSMRODLSOL-MOPGFXCFSA-N 2 2 365.518 1.365 20 30 FDEDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528375903 829369041 /nfs/dbraw/zinc/36/90/41/829369041.db2.gz DPDYJAYPUBMKEX-UXHICEINSA-N 2 2 372.513 1.400 20 30 FDEDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528375903 829369054 /nfs/dbraw/zinc/36/90/54/829369054.db2.gz DPDYJAYPUBMKEX-UXHICEINSA-N 2 2 372.513 1.400 20 30 FDEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528392554 829380574 /nfs/dbraw/zinc/38/05/74/829380574.db2.gz DXLPDKYUHZLXHK-SFHVURJKSA-N 2 2 365.477 1.950 20 30 FDEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528392554 829380586 /nfs/dbraw/zinc/38/05/86/829380586.db2.gz DXLPDKYUHZLXHK-SFHVURJKSA-N 2 2 365.477 1.950 20 30 FDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528392554 829380594 /nfs/dbraw/zinc/38/05/94/829380594.db2.gz DXLPDKYUHZLXHK-SFHVURJKSA-N 2 2 365.477 1.950 20 30 FDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528392554 829380605 /nfs/dbraw/zinc/38/06/05/829380605.db2.gz DXLPDKYUHZLXHK-SFHVURJKSA-N 2 2 365.477 1.950 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000528493431 829433260 /nfs/dbraw/zinc/43/32/60/829433260.db2.gz VFTLMDDNSZBPMG-RBUKOAKNSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000528493431 829433264 /nfs/dbraw/zinc/43/32/64/829433264.db2.gz VFTLMDDNSZBPMG-RBUKOAKNSA-N 2 2 359.470 1.485 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CC[NH+](C2CCCC2)CC1 ZINC000087506812 841605075 /nfs/dbraw/zinc/60/50/75/841605075.db2.gz AXLAFGXVWVPSMX-UHFFFAOYSA-N 3 2 361.538 1.558 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105622911 842250027 /nfs/dbraw/zinc/25/00/27/842250027.db2.gz JXZHGDQSELOEKL-XNFNUYLZSA-N 2 2 358.486 1.332 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105646843 842399681 /nfs/dbraw/zinc/39/96/81/842399681.db2.gz MHOUVHZMUDHUQK-LFGUQSLTSA-N 2 2 360.502 1.815 20 30 FDEDLP C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667641811 844933711 /nfs/dbraw/zinc/93/37/11/844933711.db2.gz DULZXHGCVKIVDF-SFHVURJKSA-N 2 2 350.507 1.132 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673697 845414611 /nfs/dbraw/zinc/41/46/11/845414611.db2.gz OEMIMBJVJBFWOO-IZBJGVDFSA-N 2 2 360.502 1.815 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@@H]1O ZINC001083535836 846923297 /nfs/dbraw/zinc/92/32/97/846923297.db2.gz PFZNNEVMDSLGMX-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@@H]1O ZINC001083535836 846923299 /nfs/dbraw/zinc/92/32/99/846923299.db2.gz PFZNNEVMDSLGMX-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2C)C[C@@H]1O ZINC001083535836 846923303 /nfs/dbraw/zinc/92/33/03/846923303.db2.gz PFZNNEVMDSLGMX-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2C)C[C@@H]1O ZINC001083535836 846923312 /nfs/dbraw/zinc/92/33/12/846923312.db2.gz PFZNNEVMDSLGMX-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467770 848194896 /nfs/dbraw/zinc/19/48/96/848194896.db2.gz RHWROMRTQRGTDQ-QFBILLFUSA-N 2 2 368.456 1.826 20 30 FDEDLP N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467770 848194899 /nfs/dbraw/zinc/19/48/99/848194899.db2.gz RHWROMRTQRGTDQ-QFBILLFUSA-N 2 2 368.456 1.826 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1C#N ZINC001076632627 848617804 /nfs/dbraw/zinc/61/78/04/848617804.db2.gz XPWDQFVCEQPPEG-FUHWJXTLSA-N 2 2 365.437 1.496 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1C#N ZINC001076632627 848617810 /nfs/dbraw/zinc/61/78/10/848617810.db2.gz XPWDQFVCEQPPEG-FUHWJXTLSA-N 2 2 365.437 1.496 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076986332 849479077 /nfs/dbraw/zinc/47/90/77/849479077.db2.gz ULKOEDMWIABVQC-GUDVDZBRSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076986332 849479082 /nfs/dbraw/zinc/47/90/82/849479082.db2.gz ULKOEDMWIABVQC-GUDVDZBRSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076986332 849479085 /nfs/dbraw/zinc/47/90/85/849479085.db2.gz ULKOEDMWIABVQC-GUDVDZBRSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076986332 849479088 /nfs/dbraw/zinc/47/90/88/849479088.db2.gz ULKOEDMWIABVQC-GUDVDZBRSA-N 2 2 356.470 1.092 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)cc1 ZINC001083607287 853962875 /nfs/dbraw/zinc/96/28/75/853962875.db2.gz PHBKFYLFXMLUIJ-MOPGFXCFSA-N 2 2 361.405 1.181 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)cc1 ZINC001083607287 853962880 /nfs/dbraw/zinc/96/28/80/853962880.db2.gz PHBKFYLFXMLUIJ-MOPGFXCFSA-N 2 2 361.405 1.181 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@H]2C)C1=O ZINC001088985883 865926067 /nfs/dbraw/zinc/92/60/67/865926067.db2.gz YQZALUFWXKIEGH-HFTRVMKXSA-N 2 2 371.485 1.127 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@H]2C)C1=O ZINC001088985883 865926074 /nfs/dbraw/zinc/92/60/74/865926074.db2.gz YQZALUFWXKIEGH-HFTRVMKXSA-N 2 2 371.485 1.127 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001089053484 866333704 /nfs/dbraw/zinc/33/37/04/866333704.db2.gz YPTLTCBGNGIICN-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001089053484 866333722 /nfs/dbraw/zinc/33/37/22/866333722.db2.gz YPTLTCBGNGIICN-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001089053484 866333731 /nfs/dbraw/zinc/33/37/31/866333731.db2.gz YPTLTCBGNGIICN-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001089053484 866333747 /nfs/dbraw/zinc/33/37/47/866333747.db2.gz YPTLTCBGNGIICN-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083733207 876305530 /nfs/dbraw/zinc/30/55/30/876305530.db2.gz DINRTFVIPHECJE-MSOLQXFVSA-N 2 2 368.437 1.188 20 30 FDEDLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083733207 876305541 /nfs/dbraw/zinc/30/55/41/876305541.db2.gz DINRTFVIPHECJE-MSOLQXFVSA-N 2 2 368.437 1.188 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831463 879130566 /nfs/dbraw/zinc/13/05/66/879130566.db2.gz MXLWDUOLCSSQRO-AHRSYUTCSA-N 2 2 370.497 1.484 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831463 879130570 /nfs/dbraw/zinc/13/05/70/879130570.db2.gz MXLWDUOLCSSQRO-AHRSYUTCSA-N 2 2 370.497 1.484 20 30 FDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054689 885589110 /nfs/dbraw/zinc/58/91/10/885589110.db2.gz JUSJQHQBPKLCDO-SQNIBIBYSA-N 2 2 369.473 1.127 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054689 885589124 /nfs/dbraw/zinc/58/91/24/885589124.db2.gz JUSJQHQBPKLCDO-SQNIBIBYSA-N 2 2 369.473 1.127 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001212293505 889823472 /nfs/dbraw/zinc/82/34/72/889823472.db2.gz SVJPWILJEWQMEV-NCXUSEDFSA-N 2 2 372.513 1.936 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001212293505 889823479 /nfs/dbraw/zinc/82/34/79/889823479.db2.gz SVJPWILJEWQMEV-NCXUSEDFSA-N 2 2 372.513 1.936 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637347 894345988 /nfs/dbraw/zinc/34/59/88/894345988.db2.gz FGRQGNCNYNXGNJ-HZPDHXFCSA-N 2 2 350.507 1.132 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637347 894346032 /nfs/dbraw/zinc/34/60/32/894346032.db2.gz FGRQGNCNYNXGNJ-HZPDHXFCSA-N 2 2 350.507 1.132 20 30 FDEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001077928103 896929243 /nfs/dbraw/zinc/92/92/43/896929243.db2.gz WZBQARABTCRKDL-NHCUHLMSSA-N 2 2 369.509 1.320 20 30 FDEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001077928103 896929249 /nfs/dbraw/zinc/92/92/49/896929249.db2.gz WZBQARABTCRKDL-NHCUHLMSSA-N 2 2 369.509 1.320 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437021 897932693 /nfs/dbraw/zinc/93/26/93/897932693.db2.gz WCAZJDYQTLNJSK-AQNXPRMDSA-N 2 2 357.498 1.440 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001084417795 914378928 /nfs/dbraw/zinc/37/89/28/914378928.db2.gz FQOZAVAEZAEZOC-PLACYPQZSA-N 2 2 367.493 1.350 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001084417795 914378938 /nfs/dbraw/zinc/37/89/38/914378938.db2.gz FQOZAVAEZAEZOC-PLACYPQZSA-N 2 2 367.493 1.350 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001084417795 914378949 /nfs/dbraw/zinc/37/89/49/914378949.db2.gz FQOZAVAEZAEZOC-PLACYPQZSA-N 2 2 367.493 1.350 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001084417795 914378959 /nfs/dbraw/zinc/37/89/59/914378959.db2.gz FQOZAVAEZAEZOC-PLACYPQZSA-N 2 2 367.493 1.350 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cccc(F)c1 ZINC001079188488 902137084 /nfs/dbraw/zinc/13/70/84/902137084.db2.gz BEKODYDFPVIQAR-NZSAHSFTSA-N 2 2 366.440 1.802 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]3COC[C@@H]32)CC1 ZINC001079260934 902300769 /nfs/dbraw/zinc/30/07/69/902300769.db2.gz XDEWTIYRSHCLRE-SOLBZPMBSA-N 2 2 368.481 1.402 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1C ZINC001079878189 903602916 /nfs/dbraw/zinc/60/29/16/903602916.db2.gz LOUMXAKGSGNJIU-QFUCXCTJSA-N 2 2 368.525 1.787 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1C ZINC001079878189 903602923 /nfs/dbraw/zinc/60/29/23/903602923.db2.gz LOUMXAKGSGNJIU-QFUCXCTJSA-N 2 2 368.525 1.787 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@H]1C ZINC001079878189 903602930 /nfs/dbraw/zinc/60/29/30/903602930.db2.gz LOUMXAKGSGNJIU-QFUCXCTJSA-N 2 2 368.525 1.787 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@H]1C ZINC001079878189 903602935 /nfs/dbraw/zinc/60/29/35/903602935.db2.gz LOUMXAKGSGNJIU-QFUCXCTJSA-N 2 2 368.525 1.787 20 30 FDEDLP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951365 903750559 /nfs/dbraw/zinc/75/05/59/903750559.db2.gz JLQSVKVBMWDKCQ-HNBVOPMISA-N 2 2 355.482 1.194 20 30 FDEDLP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951365 903750564 /nfs/dbraw/zinc/75/05/64/903750564.db2.gz JLQSVKVBMWDKCQ-HNBVOPMISA-N 2 2 355.482 1.194 20 30 FDEDLP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951365 903750573 /nfs/dbraw/zinc/75/05/73/903750573.db2.gz JLQSVKVBMWDKCQ-HNBVOPMISA-N 2 2 355.482 1.194 20 30 FDEDLP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951365 903750579 /nfs/dbraw/zinc/75/05/79/903750579.db2.gz JLQSVKVBMWDKCQ-HNBVOPMISA-N 2 2 355.482 1.194 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1OC ZINC001081811329 905135226 /nfs/dbraw/zinc/13/52/26/905135226.db2.gz SJEZLELCJLNPLO-QHAWAJNXSA-N 2 2 369.509 1.532 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1OC ZINC001081811329 905135234 /nfs/dbraw/zinc/13/52/34/905135234.db2.gz SJEZLELCJLNPLO-QHAWAJNXSA-N 2 2 369.509 1.532 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccccc2)C[C@H]1OC ZINC001081811329 905135237 /nfs/dbraw/zinc/13/52/37/905135237.db2.gz SJEZLELCJLNPLO-QHAWAJNXSA-N 2 2 369.509 1.532 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccccc2)C[C@H]1OC ZINC001081811329 905135247 /nfs/dbraw/zinc/13/52/47/905135247.db2.gz SJEZLELCJLNPLO-QHAWAJNXSA-N 2 2 369.509 1.532 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001080998162 906976099 /nfs/dbraw/zinc/97/60/99/906976099.db2.gz VJOYEKTUDZMUCQ-UWWQBHOKSA-N 2 2 358.486 1.826 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001080998162 906976104 /nfs/dbraw/zinc/97/61/04/906976104.db2.gz VJOYEKTUDZMUCQ-UWWQBHOKSA-N 2 2 358.486 1.826 20 30 FDEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000997692457 909482701 /nfs/dbraw/zinc/48/27/01/909482701.db2.gz SOUUDDWVGNRRQG-UHOSZYNNSA-N 2 2 365.518 1.269 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cncs4)C[C@H]32)CC1 ZINC001084851012 917656446 /nfs/dbraw/zinc/65/64/46/917656446.db2.gz JEIJILGUQZIVSZ-SJLPKXTDSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cncs4)C[C@H]32)CC1 ZINC001084851012 917656457 /nfs/dbraw/zinc/65/64/57/917656457.db2.gz JEIJILGUQZIVSZ-SJLPKXTDSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cncs3)[C@H]2C1 ZINC001084961091 918906649 /nfs/dbraw/zinc/90/66/49/918906649.db2.gz KILWORRXVMYKEK-NJAFHUGGSA-N 2 2 358.511 1.664 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cncs3)[C@H]2C1 ZINC001084961091 918906651 /nfs/dbraw/zinc/90/66/51/918906651.db2.gz KILWORRXVMYKEK-NJAFHUGGSA-N 2 2 358.511 1.664 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cncs3)[C@H]2C1 ZINC001084961091 918906654 /nfs/dbraw/zinc/90/66/54/918906654.db2.gz KILWORRXVMYKEK-NJAFHUGGSA-N 2 2 358.511 1.664 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cncs3)[C@H]2C1 ZINC001084961091 918906658 /nfs/dbraw/zinc/90/66/58/918906658.db2.gz KILWORRXVMYKEK-NJAFHUGGSA-N 2 2 358.511 1.664 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3conc3CC)[C@H]2C1 ZINC001084961221 918908518 /nfs/dbraw/zinc/90/85/18/918908518.db2.gz SSOJWKFJERAFEJ-UXPWSPDFSA-N 2 2 370.497 1.757 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3conc3CC)[C@H]2C1 ZINC001084961221 918908554 /nfs/dbraw/zinc/90/85/54/918908554.db2.gz SSOJWKFJERAFEJ-UXPWSPDFSA-N 2 2 370.497 1.757 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3conc3CC)[C@H]2C1 ZINC001084961221 918908557 /nfs/dbraw/zinc/90/85/57/918908557.db2.gz SSOJWKFJERAFEJ-UXPWSPDFSA-N 2 2 370.497 1.757 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3conc3CC)[C@H]2C1 ZINC001084961221 918908561 /nfs/dbraw/zinc/90/85/61/918908561.db2.gz SSOJWKFJERAFEJ-UXPWSPDFSA-N 2 2 370.497 1.757 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnsn2)CC1 ZINC001085432937 924681348 /nfs/dbraw/zinc/68/13/48/924681348.db2.gz XXRCEHCCTOAXFD-IAGOWNOFSA-N 2 2 361.515 1.400 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326477 926003101 /nfs/dbraw/zinc/00/31/01/926003101.db2.gz IQRISJNIOHUTLZ-SQNIBIBYSA-N 2 2 360.506 1.009 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326477 926003107 /nfs/dbraw/zinc/00/31/07/926003107.db2.gz IQRISJNIOHUTLZ-SQNIBIBYSA-N 2 2 360.506 1.009 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519951 929642744 /nfs/dbraw/zinc/64/27/44/929642744.db2.gz BIYWFPUXSKCVMG-DHXZDTOLSA-N 2 2 367.453 1.360 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519951 929642753 /nfs/dbraw/zinc/64/27/53/929642753.db2.gz BIYWFPUXSKCVMG-DHXZDTOLSA-N 2 2 367.453 1.360 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796944 930464023 /nfs/dbraw/zinc/46/40/23/930464023.db2.gz NEBKFNYPQGVFMM-BDXSIMOUSA-N 2 2 362.518 1.275 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796944 930464031 /nfs/dbraw/zinc/46/40/31/930464031.db2.gz NEBKFNYPQGVFMM-BDXSIMOUSA-N 2 2 362.518 1.275 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001086599799 934059818 /nfs/dbraw/zinc/05/98/18/934059818.db2.gz KBPJSIHZBKNQCZ-AZUAARDMSA-N 2 2 362.477 1.979 20 30 FDEDLP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001086599799 934059821 /nfs/dbraw/zinc/05/98/21/934059821.db2.gz KBPJSIHZBKNQCZ-AZUAARDMSA-N 2 2 362.477 1.979 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1n1ccnn1 ZINC001129910081 938549698 /nfs/dbraw/zinc/54/96/98/938549698.db2.gz CBKQZLNWNQJWIY-SJORKVTESA-N 2 2 371.489 1.526 20 30 FDEDLP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760221 938568845 /nfs/dbraw/zinc/56/88/45/938568845.db2.gz HUGIQPMZSAKICW-MRXNPFEDSA-N 2 2 366.506 1.258 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130086157 938667388 /nfs/dbraw/zinc/66/73/88/938667388.db2.gz NUAATMQPTVKRGL-MSOLQXFVSA-N 2 2 371.489 1.342 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130109934 938688717 /nfs/dbraw/zinc/68/87/17/938688717.db2.gz LUWKGKAAMZWJEJ-JQHSSLGASA-N 2 2 371.489 1.341 20 30 FDEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCOCCOCC[NH3+])[nH+]1 ZINC001170507188 939915387 /nfs/dbraw/zinc/91/53/87/939915387.db2.gz GVFBSAHYLWNBDC-WUGCZOJMSA-N 2 2 370.519 1.675 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cn(C)cn1 ZINC001130632700 939936222 /nfs/dbraw/zinc/93/62/22/939936222.db2.gz NEENHQIZMYFTIO-FUHWJXTLSA-N 2 2 370.501 1.637 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130698902 939993262 /nfs/dbraw/zinc/99/32/62/939993262.db2.gz WGOJEOJVSYPQFG-YQQAZPJKSA-N 2 2 356.474 1.625 20 30 FDEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]2)O1 ZINC001130820235 940227568 /nfs/dbraw/zinc/22/75/68/940227568.db2.gz PFLJUHDXVTZXAN-LSDHHAIUSA-N 2 2 364.494 1.147 20 30 FDEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]2)O1 ZINC001130820235 940227574 /nfs/dbraw/zinc/22/75/74/940227574.db2.gz PFLJUHDXVTZXAN-LSDHHAIUSA-N 2 2 364.494 1.147 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117843 940504691 /nfs/dbraw/zinc/50/46/91/940504691.db2.gz VTJDWCMQCFZKFC-NVXWUHKLSA-N 2 2 356.474 1.545 20 30 FDEDLP C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000812889076 941287453 /nfs/dbraw/zinc/28/74/53/941287453.db2.gz MOSUDDYSAQNJKE-PKOBYXMFSA-N 2 2 358.461 1.968 20 30 FDEDLP C#C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000812889076 941287456 /nfs/dbraw/zinc/28/74/56/941287456.db2.gz MOSUDDYSAQNJKE-PKOBYXMFSA-N 2 2 358.461 1.968 20 30 FDEDLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NC3(C#N)CCC3)C2)ccn1 ZINC000856585099 971236724 /nfs/dbraw/zinc/23/67/24/971236724.db2.gz ZBYFEKVAOAIVMS-SFHVURJKSA-N 2 2 371.485 1.549 20 30 FDEDLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NC3(C#N)CCC3)C2)ccn1 ZINC000856585099 971236733 /nfs/dbraw/zinc/23/67/33/971236733.db2.gz ZBYFEKVAOAIVMS-SFHVURJKSA-N 2 2 371.485 1.549 20 30 FDEDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)NC3(C#N)CCC3)C2)ccn1 ZINC000856585099 971236740 /nfs/dbraw/zinc/23/67/40/971236740.db2.gz ZBYFEKVAOAIVMS-SFHVURJKSA-N 2 2 371.485 1.549 20 30 FDEDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)ccn1 ZINC000856585099 971236752 /nfs/dbraw/zinc/23/67/52/971236752.db2.gz ZBYFEKVAOAIVMS-SFHVURJKSA-N 2 2 371.485 1.549 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893527 971282702 /nfs/dbraw/zinc/28/27/02/971282702.db2.gz HPGWQBPHWQJQRS-QZTJIDSGSA-N 2 2 364.534 1.286 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893527 971282709 /nfs/dbraw/zinc/28/27/09/971282709.db2.gz HPGWQBPHWQJQRS-QZTJIDSGSA-N 2 2 364.534 1.286 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893527 971282718 /nfs/dbraw/zinc/28/27/18/971282718.db2.gz HPGWQBPHWQJQRS-QZTJIDSGSA-N 2 2 364.534 1.286 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893527 971282723 /nfs/dbraw/zinc/28/27/23/971282723.db2.gz HPGWQBPHWQJQRS-QZTJIDSGSA-N 2 2 364.534 1.286 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001090882716 947620484 /nfs/dbraw/zinc/62/04/84/947620484.db2.gz RKBMNTABLUTYKI-RYGJVYDSSA-N 2 2 366.465 1.814 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccc(OC)cc1 ZINC001090882716 947620489 /nfs/dbraw/zinc/62/04/89/947620489.db2.gz RKBMNTABLUTYKI-RYGJVYDSSA-N 2 2 366.465 1.814 20 30 FDEDLP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1O)CC(C)(C)C ZINC001196199439 971534936 /nfs/dbraw/zinc/53/49/36/971534936.db2.gz GWUJNGGSEXXNBJ-HZPDHXFCSA-N 2 2 364.515 1.259 20 30 FDEDLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1O)CC(C)(C)C ZINC001196199439 971534945 /nfs/dbraw/zinc/53/49/45/971534945.db2.gz GWUJNGGSEXXNBJ-HZPDHXFCSA-N 2 2 364.515 1.259 20 30 FDEDLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)CC(C)(C)C ZINC001196199439 971534948 /nfs/dbraw/zinc/53/49/48/971534948.db2.gz GWUJNGGSEXXNBJ-HZPDHXFCSA-N 2 2 364.515 1.259 20 30 FDEDLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)CC(C)(C)C ZINC001196199439 971534957 /nfs/dbraw/zinc/53/49/57/971534957.db2.gz GWUJNGGSEXXNBJ-HZPDHXFCSA-N 2 2 364.515 1.259 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cnn(C)c1 ZINC001086995920 953035385 /nfs/dbraw/zinc/03/53/85/953035385.db2.gz DCCBPEKYAACZGT-SOLBZPMBSA-N 2 2 368.485 1.723 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276122 954670943 /nfs/dbraw/zinc/67/09/43/954670943.db2.gz FMIDISAIJHOHQW-ZBFHGGJFSA-N 2 2 367.291 1.880 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276122 954670948 /nfs/dbraw/zinc/67/09/48/954670948.db2.gz FMIDISAIJHOHQW-ZBFHGGJFSA-N 2 2 367.291 1.880 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001092689691 956197926 /nfs/dbraw/zinc/19/79/26/956197926.db2.gz PVASCGONPYIPDX-LMMKCTJWSA-N 2 2 357.502 1.185 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001092689691 956197929 /nfs/dbraw/zinc/19/79/29/956197929.db2.gz PVASCGONPYIPDX-LMMKCTJWSA-N 2 2 357.502 1.185 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccn(CC)n2)C[C@H]1C ZINC001092689691 956197931 /nfs/dbraw/zinc/19/79/31/956197931.db2.gz PVASCGONPYIPDX-LMMKCTJWSA-N 2 2 357.502 1.185 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccn(CC)n2)C[C@H]1C ZINC001092689691 956197935 /nfs/dbraw/zinc/19/79/35/956197935.db2.gz PVASCGONPYIPDX-LMMKCTJWSA-N 2 2 357.502 1.185 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)[C@H](C)C1 ZINC001092855127 956697022 /nfs/dbraw/zinc/69/70/22/956697022.db2.gz HHBFCMNWWPNIIM-ZTFGCOKTSA-N 2 2 369.937 1.924 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)[C@H](C)C1 ZINC001092855127 956697028 /nfs/dbraw/zinc/69/70/28/956697028.db2.gz HHBFCMNWWPNIIM-ZTFGCOKTSA-N 2 2 369.937 1.924 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)[C@H](C)C1 ZINC001092855127 956697032 /nfs/dbraw/zinc/69/70/32/956697032.db2.gz HHBFCMNWWPNIIM-ZTFGCOKTSA-N 2 2 369.937 1.924 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)[C@H](C)C1 ZINC001092855127 956697041 /nfs/dbraw/zinc/69/70/41/956697041.db2.gz HHBFCMNWWPNIIM-ZTFGCOKTSA-N 2 2 369.937 1.924 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433020 972247367 /nfs/dbraw/zinc/24/73/67/972247367.db2.gz CGUZITXUMVZVQM-RTBURBONSA-N 2 2 369.469 1.789 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433020 972247374 /nfs/dbraw/zinc/24/73/74/972247374.db2.gz CGUZITXUMVZVQM-RTBURBONSA-N 2 2 369.469 1.789 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]ccc3OC)[C@H]2C(C)C)C[C@H]1O ZINC001093451705 958135964 /nfs/dbraw/zinc/13/59/64/958135964.db2.gz XAUWEKFNAQOMBT-SGLNWRHMSA-N 2 2 371.481 1.232 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001093454948 958270976 /nfs/dbraw/zinc/27/09/76/958270976.db2.gz IODCWRUUVONZTR-IZBJGVDFSA-N 2 2 360.502 1.815 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[N@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419893 960414244 /nfs/dbraw/zinc/41/42/44/960414244.db2.gz HFLZSTDJJWWMKR-NLWGTHIKSA-N 2 2 355.486 1.784 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[N@@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419893 960414248 /nfs/dbraw/zinc/41/42/48/960414248.db2.gz HFLZSTDJJWWMKR-NLWGTHIKSA-N 2 2 355.486 1.784 20 30 FDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419893 960414251 /nfs/dbraw/zinc/41/42/51/960414251.db2.gz HFLZSTDJJWWMKR-NLWGTHIKSA-N 2 2 355.486 1.784 20 30 FDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419893 960414256 /nfs/dbraw/zinc/41/42/56/960414256.db2.gz HFLZSTDJJWWMKR-NLWGTHIKSA-N 2 2 355.486 1.784 20 30 FDEDLP CCOc1ccc(C[NH+]2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1 ZINC000852857478 967661598 /nfs/dbraw/zinc/66/15/98/967661598.db2.gz USNPXTAPYLCMFX-UHFFFAOYSA-N 2 2 355.482 1.733 20 30 FDEDLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001198004027 972631694 /nfs/dbraw/zinc/63/16/94/972631694.db2.gz RFNKHHNUPDNHTO-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001198004027 972631697 /nfs/dbraw/zinc/63/16/97/972631697.db2.gz RFNKHHNUPDNHTO-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001198004027 972631703 /nfs/dbraw/zinc/63/17/03/972631703.db2.gz RFNKHHNUPDNHTO-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001198004027 972631710 /nfs/dbraw/zinc/63/17/10/972631710.db2.gz RFNKHHNUPDNHTO-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP C#CC[C@H](CCOC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000859024361 982464130 /nfs/dbraw/zinc/46/41/30/982464130.db2.gz FBUDZXBUJCTNRQ-GOSISDBHSA-N 2 2 364.534 1.664 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771259 982722967 /nfs/dbraw/zinc/72/29/67/982722967.db2.gz NTQJTDXDOKJDIF-NZPGVSJUSA-N 2 2 367.453 1.360 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771259 982722971 /nfs/dbraw/zinc/72/29/71/982722971.db2.gz NTQJTDXDOKJDIF-NZPGVSJUSA-N 2 2 367.453 1.360 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000884185854 982961375 /nfs/dbraw/zinc/96/13/75/982961375.db2.gz JQWCLTSZXIPTFC-IBGZPJMESA-N 2 2 373.497 1.981 20 30 FDEDLP CO/N=C/c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370831065 990027402 /nfs/dbraw/zinc/02/74/02/990027402.db2.gz RRUNNFUKTKQTGB-ORTNRGLGSA-N 2 2 358.486 1.907 20 30 FDEDLP CO/N=C/c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370831065 990027410 /nfs/dbraw/zinc/02/74/10/990027410.db2.gz RRUNNFUKTKQTGB-ORTNRGLGSA-N 2 2 358.486 1.907 20 30 FDEDLP CO/N=C/c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370831064 990027975 /nfs/dbraw/zinc/02/79/75/990027975.db2.gz RRUNNFUKTKQTGB-KNGGAZFVSA-N 2 2 358.486 1.907 20 30 FDEDLP CO/N=C/c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370831064 990027981 /nfs/dbraw/zinc/02/79/81/990027981.db2.gz RRUNNFUKTKQTGB-KNGGAZFVSA-N 2 2 358.486 1.907 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372369652 991049346 /nfs/dbraw/zinc/04/93/46/991049346.db2.gz NJGQCIHADRNXRT-HKUYNNGSSA-N 2 2 369.513 1.845 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372369652 991049352 /nfs/dbraw/zinc/04/93/52/991049352.db2.gz NJGQCIHADRNXRT-HKUYNNGSSA-N 2 2 369.513 1.845 20 30 FDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000264135349 997411295 /nfs/dbraw/zinc/41/12/95/997411295.db2.gz ZKLBNNAYZWJQNV-UHFFFAOYSA-N 2 2 361.490 1.644 20 30 FDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000264135349 997411304 /nfs/dbraw/zinc/41/13/04/997411304.db2.gz ZKLBNNAYZWJQNV-UHFFFAOYSA-N 2 2 361.490 1.644 20 30 FDEDLP C=C[C@@H](CC)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000932143016 1004791621 /nfs/dbraw/zinc/79/16/21/1004791621.db2.gz JAJRIZADXCAIDX-KRWDZBQOSA-N 2 2 364.534 1.286 20 30 FDEDLP C[N@@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H](C[NH3+])C1 ZINC000518343964 539410330 /nfs/dbraw/zinc/41/03/30/539410330.db2.gz UYTZYRUGJMXIHJ-LXPRWKDFSA-N 2 2 371.485 1.533 20 30 FDEDLP C[N@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H](C[NH3+])C1 ZINC000518343964 539410332 /nfs/dbraw/zinc/41/03/32/539410332.db2.gz UYTZYRUGJMXIHJ-LXPRWKDFSA-N 2 2 371.485 1.533 20 30 FDEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000533411905 540243506 /nfs/dbraw/zinc/24/35/06/540243506.db2.gz CQAICVXZAJUIPC-YLJYHZDGSA-N 2 2 362.514 1.932 20 30 FDEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000533411905 540243510 /nfs/dbraw/zinc/24/35/10/540243510.db2.gz CQAICVXZAJUIPC-YLJYHZDGSA-N 2 2 362.514 1.932 20 30 FDEDLP Cc1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1C#N ZINC000172754962 258284211 /nfs/dbraw/zinc/28/42/11/258284211.db2.gz KEXCXLASYRXBKB-UHFFFAOYSA-N 2 2 355.486 1.942 20 30 FDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000549110889 542838483 /nfs/dbraw/zinc/83/84/83/542838483.db2.gz CWKBOYSZUVJURC-UHFFFAOYSA-N 2 2 370.478 1.986 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)cnc12 ZINC000550812224 543179808 /nfs/dbraw/zinc/17/98/08/543179808.db2.gz FAPRQZAKEBFVMH-UHFFFAOYSA-N 2 2 362.437 1.723 20 30 FDEDLP C[C@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)S1 ZINC000177209174 174114284 /nfs/dbraw/zinc/11/42/84/174114284.db2.gz RSKXPASNTHUYLB-HOCLYGCPSA-N 2 2 360.483 1.407 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(C(N)=O)CCOCC3)CC2)cc1 ZINC000181484698 174228319 /nfs/dbraw/zinc/22/83/19/174228319.db2.gz TTZTYGWRUKKNBJ-UHFFFAOYSA-N 2 2 356.470 1.394 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000333914296 259393489 /nfs/dbraw/zinc/39/34/89/259393489.db2.gz MJLROFMONPBLDM-VAMGGRTRSA-N 2 2 367.497 1.774 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241508 524233112 /nfs/dbraw/zinc/23/31/12/524233112.db2.gz VIEUFAZZUXFBMK-UHFFFAOYSA-N 2 2 362.518 1.063 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCC[NH+]2CCOCC2)CC1=O ZINC000121461626 524264492 /nfs/dbraw/zinc/26/44/92/524264492.db2.gz UGCWIJMIGFGQBX-UHFFFAOYSA-N 2 2 369.469 1.368 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000088240042 524440571 /nfs/dbraw/zinc/44/05/71/524440571.db2.gz GOEPHFKZELSYRM-MRXNPFEDSA-N 2 2 369.517 1.820 20 30 FDEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccccc1OC(F)(F)F ZINC000160614187 524930244 /nfs/dbraw/zinc/93/02/44/524930244.db2.gz LVIGWXFJEWWKBZ-LLVKDONJSA-N 2 2 362.352 1.005 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000106349108 525699753 /nfs/dbraw/zinc/69/97/53/525699753.db2.gz LHODEOCPYRHZIC-UHFFFAOYSA-N 2 2 368.441 1.363 20 30 FDEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000130736560 525789776 /nfs/dbraw/zinc/78/97/76/525789776.db2.gz OLAFPACIMKTFKA-SFHVURJKSA-N 2 2 373.501 1.221 20 30 FDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000264101869 537137504 /nfs/dbraw/zinc/13/75/04/537137504.db2.gz OLUIFBGMHYHXRC-KRWDZBQOSA-N 3 2 367.563 1.758 20 30 FDEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000293040983 537307826 /nfs/dbraw/zinc/30/78/26/537307826.db2.gz JSDDGANKIFTHMW-IBGZPJMESA-N 2 2 369.513 1.055 20 30 FDEDLP C#CCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000293040983 537307832 /nfs/dbraw/zinc/30/78/32/537307832.db2.gz JSDDGANKIFTHMW-IBGZPJMESA-N 2 2 369.513 1.055 20 30 FDEDLP Cc1nnc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000271416319 537439011 /nfs/dbraw/zinc/43/90/11/537439011.db2.gz BEVWPGDVWPEIJU-UHFFFAOYSA-N 2 2 361.471 1.640 20 30 FDEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330224289 537651822 /nfs/dbraw/zinc/65/18/22/537651822.db2.gz NQBFYYWPMRARCK-MSOLQXFVSA-N 2 2 361.490 1.881 20 30 FDEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330224289 537651823 /nfs/dbraw/zinc/65/18/23/537651823.db2.gz NQBFYYWPMRARCK-MSOLQXFVSA-N 2 2 361.490 1.881 20 30 FDEDLP C[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000496735324 538716784 /nfs/dbraw/zinc/71/67/84/538716784.db2.gz FSILZTXNRIPLFH-INIZCTEOSA-N 2 2 369.513 1.865 20 30 FDEDLP C[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000496735324 538716791 /nfs/dbraw/zinc/71/67/91/538716791.db2.gz FSILZTXNRIPLFH-INIZCTEOSA-N 2 2 369.513 1.865 20 30 FDEDLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1nc(C#N)cs1 ZINC000564411227 546906824 /nfs/dbraw/zinc/90/68/24/546906824.db2.gz MXNBJNOBECEHAR-INIZCTEOSA-N 2 2 357.483 1.393 20 30 FDEDLP C=CCc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc(OC)c1OC ZINC000565470405 547361638 /nfs/dbraw/zinc/36/16/38/547361638.db2.gz QSMNIMAHCGRIHR-MRXNPFEDSA-N 2 2 362.474 1.217 20 30 FDEDLP C=CCc1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(OC)c1OC ZINC000565470405 547361643 /nfs/dbraw/zinc/36/16/43/547361643.db2.gz QSMNIMAHCGRIHR-MRXNPFEDSA-N 2 2 362.474 1.217 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCc2[nH]c3ccccc3[nH+]2)nc1 ZINC000567681454 548209809 /nfs/dbraw/zinc/20/98/09/548209809.db2.gz RWZIKLIMWUVWND-UHFFFAOYSA-N 2 2 369.450 1.826 20 30 FDEDLP C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(OC)c1 ZINC000570525377 549312225 /nfs/dbraw/zinc/31/22/25/549312225.db2.gz JDNJMXFPAKFKQV-QGZVFWFLSA-N 2 2 372.469 1.709 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000579650433 550895703 /nfs/dbraw/zinc/89/57/03/550895703.db2.gz BIRLGJWKCRCVSA-YTQUADARSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000579650433 550895704 /nfs/dbraw/zinc/89/57/04/550895704.db2.gz BIRLGJWKCRCVSA-YTQUADARSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579650433 550895705 /nfs/dbraw/zinc/89/57/05/550895705.db2.gz BIRLGJWKCRCVSA-YTQUADARSA-N 2 2 370.497 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579650433 550895706 /nfs/dbraw/zinc/89/57/06/550895706.db2.gz BIRLGJWKCRCVSA-YTQUADARSA-N 2 2 370.497 1.841 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)[N@H+](C)C1 ZINC000585781102 551599534 /nfs/dbraw/zinc/59/95/34/551599534.db2.gz MYHWUKMCPUXMLI-OALUTQOASA-N 2 2 356.470 1.312 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)[N@@H+](C)C1 ZINC000585781102 551599536 /nfs/dbraw/zinc/59/95/36/551599536.db2.gz MYHWUKMCPUXMLI-OALUTQOASA-N 2 2 356.470 1.312 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[NH+](C)C1 ZINC000585781102 551599538 /nfs/dbraw/zinc/59/95/38/551599538.db2.gz MYHWUKMCPUXMLI-OALUTQOASA-N 2 2 356.470 1.312 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[NH+](C)C1 ZINC000585781102 551599539 /nfs/dbraw/zinc/59/95/39/551599539.db2.gz MYHWUKMCPUXMLI-OALUTQOASA-N 2 2 356.470 1.312 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000593033646 552054568 /nfs/dbraw/zinc/05/45/68/552054568.db2.gz ZBNXUIASQKPSGC-LJQANCHMSA-N 2 2 373.497 1.319 20 30 FDEDLP Cc1cccc([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]2CCOCC2)c1 ZINC000594441727 552310848 /nfs/dbraw/zinc/31/08/48/552310848.db2.gz VWDUJMHMCDHWSY-OALUTQOASA-N 2 2 358.486 1.896 20 30 FDEDLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]2CCOCC2)cc1 ZINC000594440916 552311135 /nfs/dbraw/zinc/31/11/35/552311135.db2.gz JFYLOYLWVOJGBL-RBUKOAKNSA-N 2 2 358.486 1.896 20 30 FDEDLP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)nc1 ZINC000594493968 552325989 /nfs/dbraw/zinc/32/59/89/552325989.db2.gz CNSNZMIZFZWOJT-LJQANCHMSA-N 2 2 355.486 1.765 20 30 FDEDLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595948516 552637168 /nfs/dbraw/zinc/63/71/68/552637168.db2.gz MCSYLUYYVLIMKK-MOPGFXCFSA-N 2 2 357.502 1.330 20 30 FDEDLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595948516 552637169 /nfs/dbraw/zinc/63/71/69/552637169.db2.gz MCSYLUYYVLIMKK-MOPGFXCFSA-N 2 2 357.502 1.330 20 30 FDEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601101057 553347556 /nfs/dbraw/zinc/34/75/56/553347556.db2.gz LFINBFCXHCOEDN-UHFFFAOYSA-N 2 2 355.398 1.567 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602053368 553508854 /nfs/dbraw/zinc/50/88/54/553508854.db2.gz SQNWNZGUEWJHGO-ZDUSSCGKSA-N 2 2 363.437 1.024 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602053368 553508856 /nfs/dbraw/zinc/50/88/56/553508856.db2.gz SQNWNZGUEWJHGO-ZDUSSCGKSA-N 2 2 363.437 1.024 20 30 FDEDLP Cc1ccc2[nH+]c(CSCC(=O)NC3(C#N)CC[NH+](C)CC3)cn2c1 ZINC000609630079 554405701 /nfs/dbraw/zinc/40/57/01/554405701.db2.gz MKDJJCOCEBVJKN-UHFFFAOYSA-N 2 2 357.483 1.980 20 30 FDEDLP FC(F)[C@H]1CC[NH+](CC#CC[N@@H+]2CCO[C@@H](C(F)F)CC2)CCO1 ZINC000634758413 558522972 /nfs/dbraw/zinc/52/29/72/558522972.db2.gz OGXCGKCKFLDCRK-ZIAGYGMSSA-N 2 2 352.372 1.702 20 30 FDEDLP FC(F)[C@H]1CC[NH+](CC#CC[N@H+]2CCO[C@@H](C(F)F)CC2)CCO1 ZINC000634758413 558522974 /nfs/dbraw/zinc/52/29/74/558522974.db2.gz OGXCGKCKFLDCRK-ZIAGYGMSSA-N 2 2 352.372 1.702 20 30 FDEDLP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000303790339 676543133 /nfs/dbraw/zinc/54/31/33/676543133.db2.gz WBWJMVGDCKAXNH-ZWKOTPCHSA-N 3 2 353.555 1.512 20 30 FDEDLP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000303790339 676543135 /nfs/dbraw/zinc/54/31/35/676543135.db2.gz WBWJMVGDCKAXNH-ZWKOTPCHSA-N 3 2 353.555 1.512 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000328943855 676613126 /nfs/dbraw/zinc/61/31/26/676613126.db2.gz FWQXMABBFCNGKL-CVEARBPZSA-N 2 2 351.495 1.508 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000328943855 676613128 /nfs/dbraw/zinc/61/31/28/676613128.db2.gz FWQXMABBFCNGKL-CVEARBPZSA-N 2 2 351.495 1.508 20 30 FDEDLP C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437934036 681822965 /nfs/dbraw/zinc/82/29/65/681822965.db2.gz PCOIMMGDEKZVLU-FUHWJXTLSA-N 2 2 352.523 1.635 20 30 FDEDLP C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437934036 681822975 /nfs/dbraw/zinc/82/29/75/681822975.db2.gz PCOIMMGDEKZVLU-FUHWJXTLSA-N 2 2 352.523 1.635 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001020603985 770977744 /nfs/dbraw/zinc/97/77/44/770977744.db2.gz RCVAWTNCNABYJP-BRSBDYLESA-N 2 2 367.428 1.971 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087141730 775157262 /nfs/dbraw/zinc/15/72/62/775157262.db2.gz UTXQJDLDDDONPF-UXPWSPDFSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087141730 775157270 /nfs/dbraw/zinc/15/72/70/775157270.db2.gz UTXQJDLDDDONPF-UXPWSPDFSA-N 2 2 370.497 1.606 20 30 FDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(F)c1 ZINC001022230427 778796188 /nfs/dbraw/zinc/79/61/88/778796188.db2.gz WOQBPDRTOXAIJS-QKPAOTATSA-N 2 2 353.401 1.961 20 30 FDEDLP C=CCCn1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)nn1 ZINC000657285352 781451884 /nfs/dbraw/zinc/45/18/84/781451884.db2.gz AASDNCCOJYPSST-KRWDZBQOSA-N 2 2 360.531 1.994 20 30 FDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001104745025 791270876 /nfs/dbraw/zinc/27/08/76/791270876.db2.gz DBYJNGBWFMOZAU-RTBURBONSA-N 2 2 361.530 1.729 20 30 FDEDLP C=CCN1CC[C@H]([N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000511805596 800242554 /nfs/dbraw/zinc/24/25/54/800242554.db2.gz GVJPSTRRDYNQBZ-FQEVSTJZSA-N 2 2 356.514 1.523 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000511805596 800242557 /nfs/dbraw/zinc/24/25/57/800242557.db2.gz GVJPSTRRDYNQBZ-FQEVSTJZSA-N 2 2 356.514 1.523 20 30 FDEDLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1CCC#N ZINC000272024611 814548098 /nfs/dbraw/zinc/54/80/98/814548098.db2.gz CRNUKPXIOLDQKP-UHFFFAOYSA-N 2 2 361.494 1.595 20 30 FDEDLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1CCC#N ZINC000272024611 814548109 /nfs/dbraw/zinc/54/81/09/814548109.db2.gz CRNUKPXIOLDQKP-UHFFFAOYSA-N 2 2 361.494 1.595 20 30 FDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000516762943 816995877 /nfs/dbraw/zinc/99/58/77/816995877.db2.gz ZONCTFOARJWYHN-OAQYLSRUSA-N 2 2 371.529 1.837 20 30 FDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000516762943 816995881 /nfs/dbraw/zinc/99/58/81/816995881.db2.gz ZONCTFOARJWYHN-OAQYLSRUSA-N 2 2 371.529 1.837 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000517936918 817641462 /nfs/dbraw/zinc/64/14/62/817641462.db2.gz BTZIVLVGZAWWEY-CRAIPNDOSA-N 2 2 353.474 1.059 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000517936918 817641465 /nfs/dbraw/zinc/64/14/65/817641465.db2.gz BTZIVLVGZAWWEY-CRAIPNDOSA-N 2 2 353.474 1.059 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087476861 818392965 /nfs/dbraw/zinc/39/29/65/818392965.db2.gz JVSSAWIPCYJJFY-PMACEKPBSA-N 2 2 366.465 1.889 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087476861 818392972 /nfs/dbraw/zinc/39/29/72/818392972.db2.gz JVSSAWIPCYJJFY-PMACEKPBSA-N 2 2 366.465 1.889 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H]1CC ZINC001087607001 821713345 /nfs/dbraw/zinc/71/33/45/821713345.db2.gz FFSXCZKBQPPSQE-JSXRDJHFSA-N 2 2 369.509 1.787 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H]1CC ZINC001087607001 821713350 /nfs/dbraw/zinc/71/33/50/821713350.db2.gz FFSXCZKBQPPSQE-JSXRDJHFSA-N 2 2 369.509 1.787 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)[C@@H]1CC ZINC001087607001 821713355 /nfs/dbraw/zinc/71/33/55/821713355.db2.gz FFSXCZKBQPPSQE-JSXRDJHFSA-N 2 2 369.509 1.787 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)[C@@H]1CC ZINC001087607001 821713362 /nfs/dbraw/zinc/71/33/62/821713362.db2.gz FFSXCZKBQPPSQE-JSXRDJHFSA-N 2 2 369.509 1.787 20 30 FDEDLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N1CCCC1 ZINC000329315731 824731394 /nfs/dbraw/zinc/73/13/94/824731394.db2.gz CTOOVLBGRAZQPS-HNNXBMFYSA-N 2 2 365.522 1.060 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(CC)o3)CC[C@@H]2C1 ZINC001087997861 825072616 /nfs/dbraw/zinc/07/26/16/825072616.db2.gz CUMKBRLUAOAUIA-IKGGRYGDSA-N 2 2 371.485 1.010 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(CC)o3)CC[C@@H]2C1 ZINC001087997861 825072624 /nfs/dbraw/zinc/07/26/24/825072624.db2.gz CUMKBRLUAOAUIA-IKGGRYGDSA-N 2 2 371.485 1.010 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnc(CC)o3)CC[C@@H]2C1 ZINC001087997861 825072631 /nfs/dbraw/zinc/07/26/31/825072631.db2.gz CUMKBRLUAOAUIA-IKGGRYGDSA-N 2 2 371.485 1.010 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnc(CC)o3)CC[C@@H]2C1 ZINC001087997861 825072639 /nfs/dbraw/zinc/07/26/39/825072639.db2.gz CUMKBRLUAOAUIA-IKGGRYGDSA-N 2 2 371.485 1.010 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208444 827501678 /nfs/dbraw/zinc/50/16/78/827501678.db2.gz AATMNGILTQQGHF-AABGKKOBSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208444 827501681 /nfs/dbraw/zinc/50/16/81/827501681.db2.gz AATMNGILTQQGHF-AABGKKOBSA-N 2 2 361.530 1.844 20 30 FDEDLP O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000528402829 829384545 /nfs/dbraw/zinc/38/45/45/829384545.db2.gz JFLGFDYLNCDVKM-UHFFFAOYSA-N 2 2 360.417 1.503 20 30 FDEDLP CC[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262799211 831500425 /nfs/dbraw/zinc/50/04/25/831500425.db2.gz QITOCGANMRZTLE-XHSDSOJGSA-N 2 2 362.522 1.745 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)nsc2C)[C@@H]1C ZINC001088631148 838622221 /nfs/dbraw/zinc/62/22/21/838622221.db2.gz UZUMZTCLOFZYBW-JLSDUUJJSA-N 2 2 360.527 1.937 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)nsc2C)[C@@H]1C ZINC001088631148 838622223 /nfs/dbraw/zinc/62/22/23/838622223.db2.gz UZUMZTCLOFZYBW-JLSDUUJJSA-N 2 2 360.527 1.937 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)nsc2C)[C@@H]1C ZINC001088631148 838622228 /nfs/dbraw/zinc/62/22/28/838622228.db2.gz UZUMZTCLOFZYBW-JLSDUUJJSA-N 2 2 360.527 1.937 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)nsc2C)[C@@H]1C ZINC001088631148 838622232 /nfs/dbraw/zinc/62/22/32/838622232.db2.gz UZUMZTCLOFZYBW-JLSDUUJJSA-N 2 2 360.527 1.937 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105647519 842413283 /nfs/dbraw/zinc/41/32/83/842413283.db2.gz RQPOZCJCGNKWMM-IZBJGVDFSA-N 2 2 358.486 1.263 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@@H]1O ZINC001083535648 846921673 /nfs/dbraw/zinc/92/16/73/846921673.db2.gz CZDQIVXKSMYJJU-HKBOAZHASA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)C[C@@H]1O ZINC001083535648 846921678 /nfs/dbraw/zinc/92/16/78/846921678.db2.gz CZDQIVXKSMYJJU-HKBOAZHASA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@@H]1O ZINC001083535648 846921681 /nfs/dbraw/zinc/92/16/81/846921681.db2.gz CZDQIVXKSMYJJU-HKBOAZHASA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@@H]1O ZINC001083535648 846921688 /nfs/dbraw/zinc/92/16/88/846921688.db2.gz CZDQIVXKSMYJJU-HKBOAZHASA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4ncccn4)C[C@H]32)CC1 ZINC001076605509 848555578 /nfs/dbraw/zinc/55/55/78/848555578.db2.gz DNNQMWFFTUYHCW-YTQUADARSA-N 2 2 367.497 1.416 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4ncccn4)C[C@H]32)CC1 ZINC001076605509 848555583 /nfs/dbraw/zinc/55/55/83/848555583.db2.gz DNNQMWFFTUYHCW-YTQUADARSA-N 2 2 367.497 1.416 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001077014232 849546739 /nfs/dbraw/zinc/54/67/39/849546739.db2.gz KSVPBHBNJQMHJF-BRSBDYLESA-N 2 2 358.486 1.281 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001077014232 849546740 /nfs/dbraw/zinc/54/67/40/849546740.db2.gz KSVPBHBNJQMHJF-BRSBDYLESA-N 2 2 358.486 1.281 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033875768 883317126 /nfs/dbraw/zinc/31/71/26/883317126.db2.gz ZUXCIGSSTJVUQQ-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033875768 883317155 /nfs/dbraw/zinc/31/71/55/883317155.db2.gz ZUXCIGSSTJVUQQ-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033875768 883317172 /nfs/dbraw/zinc/31/71/72/883317172.db2.gz ZUXCIGSSTJVUQQ-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033875768 883317192 /nfs/dbraw/zinc/31/71/92/883317192.db2.gz ZUXCIGSSTJVUQQ-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cccc(F)c1 ZINC001079188588 902137208 /nfs/dbraw/zinc/13/72/08/902137208.db2.gz HGQJASASMWUXKF-FFZOFVMBSA-N 2 2 366.440 1.802 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248407 902265363 /nfs/dbraw/zinc/26/53/63/902265363.db2.gz XPMZKGLMRZXPJB-OKZBNKHCSA-N 2 2 370.497 1.571 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095099 905756750 /nfs/dbraw/zinc/75/67/50/905756750.db2.gz SRSCDBDVJUIROR-IAGOWNOFSA-N 2 2 362.499 1.277 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095099 905756761 /nfs/dbraw/zinc/75/67/61/905756761.db2.gz SRSCDBDVJUIROR-IAGOWNOFSA-N 2 2 362.499 1.277 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](Cc3ccc(C#N)cc3)CCO2)CC[N@@H+]1C ZINC001107954289 908481264 /nfs/dbraw/zinc/48/12/64/908481264.db2.gz MJBGLFDSOIQBGV-OZOXKJRCSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](Cc3ccc(C#N)cc3)CCO2)CC[N@H+]1C ZINC001107954289 908481279 /nfs/dbraw/zinc/48/12/79/908481279.db2.gz MJBGLFDSOIQBGV-OZOXKJRCSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@H+](Cc3ccc(C#N)cc3)CCO2)CC[NH+]1C ZINC001107954289 908481293 /nfs/dbraw/zinc/48/12/93/908481293.db2.gz MJBGLFDSOIQBGV-OZOXKJRCSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@@H+](Cc3ccc(C#N)cc3)CCO2)CC[NH+]1C ZINC001107954289 908481309 /nfs/dbraw/zinc/48/13/09/908481309.db2.gz MJBGLFDSOIQBGV-OZOXKJRCSA-N 2 2 370.497 1.606 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409454 911771180 /nfs/dbraw/zinc/77/11/80/911771180.db2.gz GEVNLMNUYASWCX-QRVBRYPASA-N 2 2 356.470 1.214 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409454 911771185 /nfs/dbraw/zinc/77/11/85/911771185.db2.gz GEVNLMNUYASWCX-QRVBRYPASA-N 2 2 356.470 1.214 20 30 FDEDLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001084830272 917507107 /nfs/dbraw/zinc/50/71/07/917507107.db2.gz QCRGKACHPHCLRJ-ZIFCJYIRSA-N 2 2 356.445 1.682 20 30 FDEDLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001084830272 917507119 /nfs/dbraw/zinc/50/71/19/917507119.db2.gz QCRGKACHPHCLRJ-ZIFCJYIRSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001084830272 917507126 /nfs/dbraw/zinc/50/71/26/917507126.db2.gz QCRGKACHPHCLRJ-ZIFCJYIRSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001084830272 917507133 /nfs/dbraw/zinc/50/71/33/917507133.db2.gz QCRGKACHPHCLRJ-ZIFCJYIRSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+](C)CCCNC(=S)N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000731928462 918844913 /nfs/dbraw/zinc/84/49/13/918844913.db2.gz JLZXGBLSPBAZIK-UHFFFAOYSA-N 2 2 367.494 1.412 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998495 919387525 /nfs/dbraw/zinc/38/75/25/919387525.db2.gz QAAFAWFNJPTHKU-AABGKKOBSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998495 919387542 /nfs/dbraw/zinc/38/75/42/919387542.db2.gz QAAFAWFNJPTHKU-AABGKKOBSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]21 ZINC001084998495 919387560 /nfs/dbraw/zinc/38/75/60/919387560.db2.gz QAAFAWFNJPTHKU-AABGKKOBSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]21 ZINC001084998495 919387581 /nfs/dbraw/zinc/38/75/81/919387581.db2.gz QAAFAWFNJPTHKU-AABGKKOBSA-N 2 2 361.530 1.986 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC001085605681 924956813 /nfs/dbraw/zinc/95/68/13/924956813.db2.gz QCUOOSDDMRFESW-AYOQOUSVSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC001085605681 924956820 /nfs/dbraw/zinc/95/68/20/924956820.db2.gz QCUOOSDDMRFESW-AYOQOUSVSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C#N ZINC001085605681 924956821 /nfs/dbraw/zinc/95/68/21/924956821.db2.gz QCUOOSDDMRFESW-AYOQOUSVSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C#N ZINC001085605681 924956822 /nfs/dbraw/zinc/95/68/22/924956822.db2.gz QCUOOSDDMRFESW-AYOQOUSVSA-N 2 2 370.497 1.940 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001085669713 925029389 /nfs/dbraw/zinc/02/93/89/925029389.db2.gz FYVZAQWHIGXIJU-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001085669713 925029395 /nfs/dbraw/zinc/02/93/95/925029395.db2.gz FYVZAQWHIGXIJU-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)O1 ZINC001085669713 925029404 /nfs/dbraw/zinc/02/94/04/925029404.db2.gz FYVZAQWHIGXIJU-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)O1 ZINC001085669713 925029414 /nfs/dbraw/zinc/02/94/14/925029414.db2.gz FYVZAQWHIGXIJU-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000746730772 932585738 /nfs/dbraw/zinc/58/57/38/932585738.db2.gz MOSFRRQJUHKRDI-KRWDZBQOSA-N 2 2 371.485 1.535 20 30 FDEDLP COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000746730772 932585739 /nfs/dbraw/zinc/58/57/39/932585739.db2.gz MOSFRRQJUHKRDI-KRWDZBQOSA-N 2 2 371.485 1.535 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1c1ccccc1 ZINC001086593411 933835716 /nfs/dbraw/zinc/83/57/16/933835716.db2.gz UOIXMASQOXNEJP-ZCNNSNEGSA-N 2 2 355.482 1.051 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1c1ccccc1 ZINC001086593411 933835722 /nfs/dbraw/zinc/83/57/22/933835722.db2.gz UOIXMASQOXNEJP-ZCNNSNEGSA-N 2 2 355.482 1.051 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1c1ccccc1 ZINC001086593411 933835726 /nfs/dbraw/zinc/83/57/26/933835726.db2.gz UOIXMASQOXNEJP-ZCNNSNEGSA-N 2 2 355.482 1.051 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1c1ccccc1 ZINC001086593411 933835735 /nfs/dbraw/zinc/83/57/35/933835735.db2.gz UOIXMASQOXNEJP-ZCNNSNEGSA-N 2 2 355.482 1.051 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412798 938408361 /nfs/dbraw/zinc/40/83/61/938408361.db2.gz XHPYFAJQFSKRKD-JQHSSLGASA-N 2 2 371.489 1.341 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412798 938408362 /nfs/dbraw/zinc/40/83/62/938408362.db2.gz XHPYFAJQFSKRKD-JQHSSLGASA-N 2 2 371.489 1.341 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129484705 938439945 /nfs/dbraw/zinc/43/99/45/938439945.db2.gz BYRMCNXSQHDJLT-KURKYZTESA-N 2 2 371.489 1.651 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129484705 938439948 /nfs/dbraw/zinc/43/99/48/938439948.db2.gz BYRMCNXSQHDJLT-KURKYZTESA-N 2 2 371.489 1.651 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129930672 938573069 /nfs/dbraw/zinc/57/30/69/938573069.db2.gz QKWIXVLNDLLYHQ-WBVHZDCISA-N 2 2 365.441 1.547 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1cn(C)cn1 ZINC001130615310 939912903 /nfs/dbraw/zinc/91/29/03/939912903.db2.gz PURSFVOXDKJKTE-FUHWJXTLSA-N 2 2 368.485 1.268 20 30 FDEDLP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)C(C)C ZINC001131091834 940495970 /nfs/dbraw/zinc/49/59/70/940495970.db2.gz RWLSHUYPTXSDFD-JFIYKMOQSA-N 2 2 360.506 1.194 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131132590 940512629 /nfs/dbraw/zinc/51/26/29/940512629.db2.gz MUTSLZMFGWWCFS-QZTJIDSGSA-N 2 2 370.501 1.947 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131136630 940513670 /nfs/dbraw/zinc/51/36/70/940513670.db2.gz XBLQFSYKDPLRAS-QZTJIDSGSA-N 2 2 370.501 1.947 20 30 FDEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001131313048 940552603 /nfs/dbraw/zinc/55/26/03/940552603.db2.gz GFETVBMDHATYJV-BBWFWOEESA-N 2 2 364.490 1.010 20 30 FDEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001131313048 940552604 /nfs/dbraw/zinc/55/26/04/940552604.db2.gz GFETVBMDHATYJV-BBWFWOEESA-N 2 2 364.490 1.010 20 30 FDEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001131313048 940552605 /nfs/dbraw/zinc/55/26/05/940552605.db2.gz GFETVBMDHATYJV-BBWFWOEESA-N 2 2 364.490 1.010 20 30 FDEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001131313048 940552607 /nfs/dbraw/zinc/55/26/07/940552607.db2.gz GFETVBMDHATYJV-BBWFWOEESA-N 2 2 364.490 1.010 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001131522445 940705536 /nfs/dbraw/zinc/70/55/36/940705536.db2.gz HYBNRHRUMQLXQN-GGPKGHCWSA-N 2 2 370.497 1.455 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045478 941534976 /nfs/dbraw/zinc/53/49/76/941534976.db2.gz HYJIAPGBBUOMSY-BZUAXINKSA-N 2 2 361.490 1.043 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000817656117 942864976 /nfs/dbraw/zinc/86/49/76/942864976.db2.gz AODMPDGQWFEZAF-HXUWFJFHSA-N 2 2 370.497 1.610 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000817656117 942864977 /nfs/dbraw/zinc/86/49/77/942864977.db2.gz AODMPDGQWFEZAF-HXUWFJFHSA-N 2 2 370.497 1.610 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000775688668 971512257 /nfs/dbraw/zinc/51/22/57/971512257.db2.gz IMXVZUKJLROPBV-PZJWPPBQSA-N 2 2 368.525 1.264 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000775688668 971512264 /nfs/dbraw/zinc/51/22/64/971512264.db2.gz IMXVZUKJLROPBV-PZJWPPBQSA-N 2 2 368.525 1.264 20 30 FDEDLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)[NH+](C)C ZINC001196207148 971541927 /nfs/dbraw/zinc/54/19/27/971541927.db2.gz KWZSNONZEAUZAS-FGTMMUONSA-N 2 2 363.889 1.193 20 30 FDEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)[NH+](C)C ZINC001196207148 971541933 /nfs/dbraw/zinc/54/19/33/971541933.db2.gz KWZSNONZEAUZAS-FGTMMUONSA-N 2 2 363.889 1.193 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000846444349 951122891 /nfs/dbraw/zinc/12/28/91/951122891.db2.gz UQSZLKCLMZYSTL-PWRODBHTSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000846444349 951122907 /nfs/dbraw/zinc/12/29/07/951122907.db2.gz UQSZLKCLMZYSTL-PWRODBHTSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000846444349 951122913 /nfs/dbraw/zinc/12/29/13/951122913.db2.gz UQSZLKCLMZYSTL-PWRODBHTSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000846444349 951122925 /nfs/dbraw/zinc/12/29/25/951122925.db2.gz UQSZLKCLMZYSTL-PWRODBHTSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000839878963 952731303 /nfs/dbraw/zinc/73/13/03/952731303.db2.gz CCKDNEMICPMAPY-IBGZPJMESA-N 2 2 355.482 1.227 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000839878963 952731307 /nfs/dbraw/zinc/73/13/07/952731307.db2.gz CCKDNEMICPMAPY-IBGZPJMESA-N 2 2 355.482 1.227 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001092052294 954144313 /nfs/dbraw/zinc/14/43/13/954144313.db2.gz GYJIQNOXUBQSML-UZLBHIALSA-N 2 2 367.428 1.943 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001092052294 954144317 /nfs/dbraw/zinc/14/43/17/954144317.db2.gz GYJIQNOXUBQSML-UZLBHIALSA-N 2 2 367.428 1.943 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433259 972247402 /nfs/dbraw/zinc/24/74/02/972247402.db2.gz HTYGIDHKOVFBBA-ZTFGCOKTSA-N 2 2 355.442 1.397 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433259 972247406 /nfs/dbraw/zinc/24/74/06/972247406.db2.gz HTYGIDHKOVFBBA-ZTFGCOKTSA-N 2 2 355.442 1.397 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CC3)no2)[C@H](C)C1 ZINC001093832857 958925988 /nfs/dbraw/zinc/92/59/88/958925988.db2.gz DBUUXIYGQDECOE-OIISXLGYSA-N 2 2 371.485 1.229 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C3CC3)no2)[C@H](C)C1 ZINC001093832857 958925993 /nfs/dbraw/zinc/92/59/93/958925993.db2.gz DBUUXIYGQDECOE-OIISXLGYSA-N 2 2 371.485 1.229 20 30 FDEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@H]1CCCO1 ZINC000775788106 972441428 /nfs/dbraw/zinc/44/14/28/972441428.db2.gz CKRFLHATWYQBOR-VQTJNVASSA-N 2 2 355.482 1.410 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094075008 959702469 /nfs/dbraw/zinc/70/24/69/959702469.db2.gz UVGXWSSWVQVZLD-CZUORRHYSA-N 2 2 355.417 1.847 20 30 FDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094253915 960196771 /nfs/dbraw/zinc/19/67/71/960196771.db2.gz KRTWKTHNWWAUEB-RHSMWYFYSA-N 2 2 355.417 1.778 20 30 FDEDLP C[C@H](CCCC#N)[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001172493774 961685709 /nfs/dbraw/zinc/68/57/09/961685709.db2.gz CSTYBWRHGIZUCP-AEFFLSMTSA-N 2 2 360.506 1.909 20 30 FDEDLP C[C@H](CCCC#N)[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001172493774 961685726 /nfs/dbraw/zinc/68/57/26/961685726.db2.gz CSTYBWRHGIZUCP-AEFFLSMTSA-N 2 2 360.506 1.909 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350181 966267434 /nfs/dbraw/zinc/26/74/34/966267434.db2.gz ZKVHAMHBYPBWSL-SUNYJGFJSA-N 2 2 367.453 1.400 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350181 966267440 /nfs/dbraw/zinc/26/74/40/966267440.db2.gz ZKVHAMHBYPBWSL-SUNYJGFJSA-N 2 2 367.453 1.400 20 30 FDEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001189453653 967001760 /nfs/dbraw/zinc/00/17/60/967001760.db2.gz MANDYFQLGOINBL-ZWKOTPCHSA-N 2 2 364.534 1.333 20 30 FDEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189453653 967001773 /nfs/dbraw/zinc/00/17/73/967001773.db2.gz MANDYFQLGOINBL-ZWKOTPCHSA-N 2 2 364.534 1.333 20 30 FDEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189453653 967001779 /nfs/dbraw/zinc/00/17/79/967001779.db2.gz MANDYFQLGOINBL-ZWKOTPCHSA-N 2 2 364.534 1.333 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189453653 967001786 /nfs/dbraw/zinc/00/17/86/967001786.db2.gz MANDYFQLGOINBL-ZWKOTPCHSA-N 2 2 364.534 1.333 20 30 FDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000644626151 1013866053 /nfs/dbraw/zinc/86/60/53/1013866053.db2.gz MNUIDAJVOLVJEO-SJORKVTESA-N 2 2 357.454 1.965 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@]34COC(=O)N3CCOC4)CC2)cc1 ZINC000865771027 974477065 /nfs/dbraw/zinc/47/70/65/974477065.db2.gz RECWESBXTZILQM-HXUWFJFHSA-N 2 2 370.453 1.333 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110567068 975056866 /nfs/dbraw/zinc/05/68/66/975056866.db2.gz XMPXHXLQBOTKJW-TVFCKZIOSA-N 2 2 374.529 1.110 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110567068 975056872 /nfs/dbraw/zinc/05/68/72/975056872.db2.gz XMPXHXLQBOTKJW-TVFCKZIOSA-N 2 2 374.529 1.110 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000868290885 977456544 /nfs/dbraw/zinc/45/65/44/977456544.db2.gz VIQSPFXXNATVDP-OALUTQOASA-N 2 2 367.497 1.493 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000868290885 977456550 /nfs/dbraw/zinc/45/65/50/977456550.db2.gz VIQSPFXXNATVDP-OALUTQOASA-N 2 2 367.497 1.493 20 30 FDEDLP C#CCC1(O)CC[NH+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000880477870 979218520 /nfs/dbraw/zinc/21/85/20/979218520.db2.gz OHLLIJDCAKTTRM-IBGZPJMESA-N 2 2 369.509 1.742 20 30 FDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883372127 982101261 /nfs/dbraw/zinc/10/12/61/982101261.db2.gz NGELZVCAMHWOTE-AZUAARDMSA-N 2 2 372.513 1.864 20 30 FDEDLP C=CCN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070191 989024434 /nfs/dbraw/zinc/02/44/34/989024434.db2.gz HGUDVCRMAURFDV-YTQUADARSA-N 2 2 359.518 1.912 20 30 FDEDLP C=CCN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070191 989024447 /nfs/dbraw/zinc/02/44/47/989024447.db2.gz HGUDVCRMAURFDV-YTQUADARSA-N 2 2 359.518 1.912 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070191 989024458 /nfs/dbraw/zinc/02/44/58/989024458.db2.gz HGUDVCRMAURFDV-YTQUADARSA-N 2 2 359.518 1.912 20 30 FDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070191 989024467 /nfs/dbraw/zinc/02/44/67/989024467.db2.gz HGUDVCRMAURFDV-YTQUADARSA-N 2 2 359.518 1.912 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364527706 989625932 /nfs/dbraw/zinc/62/59/32/989625932.db2.gz ALNNGLQMAPWPLE-SFHVURJKSA-N 2 2 351.454 1.908 20 30 FDEDLP CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372602227 991257601 /nfs/dbraw/zinc/25/76/01/991257601.db2.gz WDHVYRRNPLJWKC-SFHVURJKSA-N 2 2 369.469 1.124 20 30 FDEDLP CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372602227 991257610 /nfs/dbraw/zinc/25/76/10/991257610.db2.gz WDHVYRRNPLJWKC-SFHVURJKSA-N 2 2 369.469 1.124 20 30 FDEDLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876909859 992963769 /nfs/dbraw/zinc/96/37/69/992963769.db2.gz KMGVSRLAANKNMQ-SFHVURJKSA-N 2 2 364.453 1.264 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375332791 993078102 /nfs/dbraw/zinc/07/81/02/993078102.db2.gz DERDWOAKCLAXMC-IBGZPJMESA-N 2 2 366.550 1.139 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375332791 993078109 /nfs/dbraw/zinc/07/81/09/993078109.db2.gz DERDWOAKCLAXMC-IBGZPJMESA-N 2 2 366.550 1.139 20 30 FDEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000879585559 995050955 /nfs/dbraw/zinc/05/09/55/995050955.db2.gz INTKSGOZNVNXPE-UHFFFAOYSA-N 2 2 369.513 1.669 20 30 FDEDLP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000264084692 997399537 /nfs/dbraw/zinc/39/95/37/997399537.db2.gz IVELHLMETWSRNH-QGZVFWFLSA-N 3 2 359.518 1.060 20 30 FDEDLP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000264084692 997399545 /nfs/dbraw/zinc/39/95/45/997399545.db2.gz IVELHLMETWSRNH-QGZVFWFLSA-N 3 2 359.518 1.060 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000890374915 998920032 /nfs/dbraw/zinc/92/00/32/998920032.db2.gz PBMJHZFFZSFZEQ-HXUWFJFHSA-N 2 2 370.497 1.780 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000890374915 998920035 /nfs/dbraw/zinc/92/00/35/998920035.db2.gz PBMJHZFFZSFZEQ-HXUWFJFHSA-N 2 2 370.497 1.780 20 30 FDEDLP CN(C(=O)C1(C#N)CCSCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932577281 1005020230 /nfs/dbraw/zinc/02/02/30/1005020230.db2.gz JTJVMLFBQMWFBT-MRXNPFEDSA-N 2 2 350.532 1.650 20 30 FDEDLP CN(C(=O)C1(C#N)CCSCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932577281 1005020237 /nfs/dbraw/zinc/02/02/37/1005020237.db2.gz JTJVMLFBQMWFBT-MRXNPFEDSA-N 2 2 350.532 1.650 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CC#N)C(F)(F)F)CC2)CC1 ZINC000932907401 1005238754 /nfs/dbraw/zinc/23/87/54/1005238754.db2.gz DHPOJLXLAYYOPT-AWEZNQCLSA-N 2 2 361.412 1.689 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC000961832994 1012906938 /nfs/dbraw/zinc/90/69/38/1012906938.db2.gz LFSQJZHPFBPLDY-KLBVCGFUSA-N 2 2 361.449 1.642 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC000961832994 1012906945 /nfs/dbraw/zinc/90/69/45/1012906945.db2.gz LFSQJZHPFBPLDY-KLBVCGFUSA-N 2 2 361.449 1.642 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245415019 178355320 /nfs/dbraw/zinc/35/53/20/178355320.db2.gz CVSDWIKBUFOWLL-YLJYHZDGSA-N 2 2 369.513 1.987 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245415019 178355322 /nfs/dbraw/zinc/35/53/22/178355322.db2.gz CVSDWIKBUFOWLL-YLJYHZDGSA-N 2 2 369.513 1.987 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000245903127 178387923 /nfs/dbraw/zinc/38/79/23/178387923.db2.gz GWWKBAYOKOUQGD-SJLPKXTDSA-N 2 2 355.486 1.597 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000245903127 178387924 /nfs/dbraw/zinc/38/79/24/178387924.db2.gz GWWKBAYOKOUQGD-SJLPKXTDSA-N 2 2 355.486 1.597 20 30 FDEDLP COC(=O)c1cccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000538135556 540814929 /nfs/dbraw/zinc/81/49/29/540814929.db2.gz ODLNLSKMRFNQHB-UHFFFAOYSA-N 2 2 358.486 1.803 20 30 FDEDLP COC(=O)c1cccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000538135556 540814931 /nfs/dbraw/zinc/81/49/31/540814931.db2.gz ODLNLSKMRFNQHB-UHFFFAOYSA-N 2 2 358.486 1.803 20 30 FDEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000544350586 541758329 /nfs/dbraw/zinc/75/83/29/541758329.db2.gz FSWYEWFXUROMAJ-HNNXBMFYSA-N 2 2 374.452 1.948 20 30 FDEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000544350586 541758333 /nfs/dbraw/zinc/75/83/33/541758333.db2.gz FSWYEWFXUROMAJ-HNNXBMFYSA-N 2 2 374.452 1.948 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000101554869 172334397 /nfs/dbraw/zinc/33/43/97/172334397.db2.gz SNKMPJBKVHQFHD-KRWDZBQOSA-N 2 2 355.486 1.233 20 30 FDEDLP N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554486723 543808835 /nfs/dbraw/zinc/80/88/35/543808835.db2.gz UEGDHABWWQEZMM-IRXDYDNUSA-N 2 2 369.473 1.315 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000556203853 544117206 /nfs/dbraw/zinc/11/72/06/544117206.db2.gz CLKHDKGFOFQAHQ-SJORKVTESA-N 2 2 373.501 1.129 20 30 FDEDLP OC1(C(F)F)CC[NH+](CC#CC[NH+]2CCC(O)(C(F)F)CC2)CC1 ZINC000560196392 544910256 /nfs/dbraw/zinc/91/02/56/544910256.db2.gz KDBLRMKRSZUTKU-UHFFFAOYSA-N 2 2 352.372 1.174 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329123272 259078923 /nfs/dbraw/zinc/07/89/23/259078923.db2.gz XCSNGUIEIKSXCP-SJORKVTESA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329123272 259078924 /nfs/dbraw/zinc/07/89/24/259078924.db2.gz XCSNGUIEIKSXCP-SJORKVTESA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccc(C#N)s1 ZINC000378573421 262047576 /nfs/dbraw/zinc/04/75/76/262047576.db2.gz ZESIICOFXMSJAG-ZBFHGGJFSA-N 2 2 362.499 1.594 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC#Cc3ccccc3)CC2)CC1 ZINC000051268618 523003347 /nfs/dbraw/zinc/00/33/47/523003347.db2.gz FQGAYELLBLMZQF-UHFFFAOYSA-N 2 2 354.498 1.896 20 30 FDEDLP CCCc1nc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)no1 ZINC000068776648 523856839 /nfs/dbraw/zinc/85/68/39/523856839.db2.gz OIFRPGXSNSPCJH-UHFFFAOYSA-N 2 2 373.457 1.816 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156958533 524182755 /nfs/dbraw/zinc/18/27/55/524182755.db2.gz HHVFXBHUDUTVKB-FUHWJXTLSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156958533 524182760 /nfs/dbraw/zinc/18/27/60/524182760.db2.gz HHVFXBHUDUTVKB-FUHWJXTLSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156958533 524182770 /nfs/dbraw/zinc/18/27/70/524182770.db2.gz HHVFXBHUDUTVKB-FUHWJXTLSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156958533 524182776 /nfs/dbraw/zinc/18/27/76/524182776.db2.gz HHVFXBHUDUTVKB-FUHWJXTLSA-N 2 2 358.486 1.983 20 30 FDEDLP CCC[NH+]1CCC(N2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1 ZINC000112358079 524468525 /nfs/dbraw/zinc/46/85/25/524468525.db2.gz CSRXFUVJGFYRHQ-HXUWFJFHSA-N 2 2 361.534 1.287 20 30 FDEDLP N#Cc1ccc(OCC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000113439083 524684386 /nfs/dbraw/zinc/68/43/86/524684386.db2.gz WSVQMTZNCDUFDC-UHFFFAOYSA-N 2 2 358.486 1.323 20 30 FDEDLP N#Cc1ccc(OCC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000113439083 524684400 /nfs/dbraw/zinc/68/44/00/524684400.db2.gz WSVQMTZNCDUFDC-UHFFFAOYSA-N 2 2 358.486 1.323 20 30 FDEDLP Cc1cc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000123525850 524769779 /nfs/dbraw/zinc/76/97/79/524769779.db2.gz YIMYZLPTVRHCQM-UHFFFAOYSA-N 2 2 357.458 1.980 20 30 FDEDLP Cc1cc(CO[NH+]=C(N)CC[NH+]2CCN(Cc3ccccc3)CC2)no1 ZINC000123525850 524769791 /nfs/dbraw/zinc/76/97/91/524769791.db2.gz YIMYZLPTVRHCQM-UHFFFAOYSA-N 2 2 357.458 1.980 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000092618881 524900113 /nfs/dbraw/zinc/90/01/13/524900113.db2.gz HGZVIVCVHVGHGM-OALUTQOASA-N 2 2 363.550 1.485 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000092618881 524900123 /nfs/dbraw/zinc/90/01/23/524900123.db2.gz HGZVIVCVHVGHGM-OALUTQOASA-N 2 2 363.550 1.485 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000092618881 524900134 /nfs/dbraw/zinc/90/01/34/524900134.db2.gz HGZVIVCVHVGHGM-OALUTQOASA-N 2 2 363.550 1.485 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000092618881 524900142 /nfs/dbraw/zinc/90/01/42/524900142.db2.gz HGZVIVCVHVGHGM-OALUTQOASA-N 2 2 363.550 1.485 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000092619031 524901944 /nfs/dbraw/zinc/90/19/44/524901944.db2.gz UATYCMQJDCOWDS-GOSISDBHSA-N 2 2 358.490 1.212 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134180248 526133440 /nfs/dbraw/zinc/13/34/40/526133440.db2.gz QHMUKBQPIVVJRU-MRXNPFEDSA-N 2 2 358.490 1.254 20 30 FDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccsc1 ZINC000261989501 537253683 /nfs/dbraw/zinc/25/36/83/537253683.db2.gz LHTDKLNWIHAGLG-HNNXBMFYSA-N 2 2 359.503 1.278 20 30 FDEDLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272542088 537294187 /nfs/dbraw/zinc/29/41/87/537294187.db2.gz RVMRLVXUKXYGLK-GOSISDBHSA-N 2 2 364.453 1.609 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000195203539 537369476 /nfs/dbraw/zinc/36/94/76/537369476.db2.gz HMUMQMNZIWMAGG-UHFFFAOYSA-N 2 2 356.470 1.877 20 30 FDEDLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C1CCOCC1 ZINC000330226293 537652355 /nfs/dbraw/zinc/65/23/55/537652355.db2.gz UKFXIWSEONJFSK-APWZRJJASA-N 2 2 361.490 1.829 20 30 FDEDLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)C1CCOCC1 ZINC000330226293 537652358 /nfs/dbraw/zinc/65/23/58/537652358.db2.gz UKFXIWSEONJFSK-APWZRJJASA-N 2 2 361.490 1.829 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000560932686 545633898 /nfs/dbraw/zinc/63/38/98/545633898.db2.gz LLPLMYPOXIXDPY-AZUAARDMSA-N 2 2 361.486 1.439 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000560932686 545633901 /nfs/dbraw/zinc/63/39/01/545633901.db2.gz LLPLMYPOXIXDPY-AZUAARDMSA-N 2 2 361.486 1.439 20 30 FDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000563003601 546350850 /nfs/dbraw/zinc/35/08/50/546350850.db2.gz VNXGPHXUQYCKLG-PMACEKPBSA-N 2 2 360.502 1.073 20 30 FDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000563003601 546350852 /nfs/dbraw/zinc/35/08/52/546350852.db2.gz VNXGPHXUQYCKLG-PMACEKPBSA-N 2 2 360.502 1.073 20 30 FDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000570446005 549281510 /nfs/dbraw/zinc/28/15/10/549281510.db2.gz KEXDUXVVRROPTD-QGZVFWFLSA-N 2 2 364.877 1.884 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(O)cc(C#N)c3)CC2)CC1 ZINC000591539554 551877061 /nfs/dbraw/zinc/87/70/61/551877061.db2.gz DFLUCCQDVJTDTJ-UHFFFAOYSA-N 2 2 356.470 1.896 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(O)cc(C#N)c3)CC2)CC1 ZINC000591539554 551877062 /nfs/dbraw/zinc/87/70/62/551877062.db2.gz DFLUCCQDVJTDTJ-UHFFFAOYSA-N 2 2 356.470 1.896 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(CC#N)cc3)C2)CC1 ZINC000591939946 551918797 /nfs/dbraw/zinc/91/87/97/551918797.db2.gz ZYKQMJIVIXEEPW-SFHVURJKSA-N 2 2 355.486 1.720 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(CC#N)cc3)C2)CC1 ZINC000591939946 551918799 /nfs/dbraw/zinc/91/87/99/551918799.db2.gz ZYKQMJIVIXEEPW-SFHVURJKSA-N 2 2 355.486 1.720 20 30 FDEDLP N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000592152559 551950630 /nfs/dbraw/zinc/95/06/30/551950630.db2.gz ZWMFBZUGUIVZMP-IBGZPJMESA-N 2 2 374.510 1.524 20 30 FDEDLP N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000592152559 551950631 /nfs/dbraw/zinc/95/06/31/551950631.db2.gz ZWMFBZUGUIVZMP-IBGZPJMESA-N 2 2 374.510 1.524 20 30 FDEDLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594437766 552310034 /nfs/dbraw/zinc/31/00/34/552310034.db2.gz FFWIDNREXNNXMG-IBGZPJMESA-N 2 2 373.501 1.663 20 30 FDEDLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595808801 552618444 /nfs/dbraw/zinc/61/84/44/552618444.db2.gz WQRPRPLDGKVYKD-IBGZPJMESA-N 2 2 355.486 1.870 20 30 FDEDLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595808801 552618445 /nfs/dbraw/zinc/61/84/45/552618445.db2.gz WQRPRPLDGKVYKD-IBGZPJMESA-N 2 2 355.486 1.870 20 30 FDEDLP N#Cc1ccsc1N1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000596045317 552649253 /nfs/dbraw/zinc/64/92/53/552649253.db2.gz BQMDVKHDBQCLGT-JKSUJKDBSA-N 2 2 360.483 1.568 20 30 FDEDLP N#Cc1ccsc1N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000596045316 552649270 /nfs/dbraw/zinc/64/92/70/552649270.db2.gz BQMDVKHDBQCLGT-HZPDHXFCSA-N 2 2 360.483 1.568 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)CC1 ZINC000610369434 554496448 /nfs/dbraw/zinc/49/64/48/554496448.db2.gz LQQNTFXNMKGLBS-SFHVURJKSA-N 2 2 366.469 1.820 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)CC1 ZINC000610369434 554496449 /nfs/dbraw/zinc/49/64/49/554496449.db2.gz LQQNTFXNMKGLBS-SFHVURJKSA-N 2 2 366.469 1.820 20 30 FDEDLP C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000610899720 554577739 /nfs/dbraw/zinc/57/77/39/554577739.db2.gz GFLHRINSNWCENE-QFBILLFUSA-N 2 2 371.485 1.105 20 30 FDEDLP C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899720 554577741 /nfs/dbraw/zinc/57/77/41/554577741.db2.gz GFLHRINSNWCENE-QFBILLFUSA-N 2 2 371.485 1.105 20 30 FDEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000618801718 555678789 /nfs/dbraw/zinc/67/87/89/555678789.db2.gz BVAQVQJHYDGVSC-NRFANRHFSA-N 2 2 354.498 1.932 20 30 FDEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000618801718 555678792 /nfs/dbraw/zinc/67/87/92/555678792.db2.gz BVAQVQJHYDGVSC-NRFANRHFSA-N 2 2 354.498 1.932 20 30 FDEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(Br)c1O ZINC000277408288 674936746 /nfs/dbraw/zinc/93/67/46/674936746.db2.gz DLMJPSRDWCTPBN-UHFFFAOYSA-N 2 2 371.279 1.281 20 30 FDEDLP CC[NH+]=C(NCCN1CCSCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261944306 672698813 /nfs/dbraw/zinc/69/88/13/672698813.db2.gz FHWFFVRZTYVBTK-IRXDYDNUSA-N 2 2 364.563 1.780 20 30 FDEDLP CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261959929 672702554 /nfs/dbraw/zinc/70/25/54/672702554.db2.gz JYPLINARNRHVOE-HRCADAONSA-N 2 2 367.519 1.166 20 30 FDEDLP CN(CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)CC[NH+](C)C ZINC000288773345 676052818 /nfs/dbraw/zinc/05/28/18/676052818.db2.gz BELATUHNBQKEGO-UHFFFAOYSA-N 2 2 365.909 1.965 20 30 FDEDLP CN(CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)CC[NH+](C)C ZINC000288773345 676052821 /nfs/dbraw/zinc/05/28/21/676052821.db2.gz BELATUHNBQKEGO-UHFFFAOYSA-N 2 2 365.909 1.965 20 30 FDEDLP C[NH+]=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@H]1C[N@H+](C)CCO1 ZINC000262744040 672840156 /nfs/dbraw/zinc/84/01/56/672840156.db2.gz JINDHAMBZSRVLD-ZDUSSCGKSA-N 2 2 362.371 1.840 20 30 FDEDLP C[NH+]=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@H]1C[N@@H+](C)CCO1 ZINC000262744040 672840161 /nfs/dbraw/zinc/84/01/61/672840161.db2.gz JINDHAMBZSRVLD-ZDUSSCGKSA-N 2 2 362.371 1.840 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)O1 ZINC001024506420 784967720 /nfs/dbraw/zinc/96/77/20/784967720.db2.gz LQXFPMOAZOBAER-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)O1 ZINC001024506420 784967722 /nfs/dbraw/zinc/96/77/22/784967722.db2.gz LQXFPMOAZOBAER-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)O1 ZINC001024506420 784967728 /nfs/dbraw/zinc/96/77/28/784967728.db2.gz LQXFPMOAZOBAER-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)O1 ZINC001024506420 784967730 /nfs/dbraw/zinc/96/77/30/784967730.db2.gz LQXFPMOAZOBAER-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001104619531 788919596 /nfs/dbraw/zinc/91/95/96/788919596.db2.gz CIFOXOYVQIGIBX-KYJSFNMBSA-N 2 2 361.490 1.107 20 30 FDEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001104619531 788919600 /nfs/dbraw/zinc/91/96/00/788919600.db2.gz CIFOXOYVQIGIBX-KYJSFNMBSA-N 2 2 361.490 1.107 20 30 FDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001104869052 794141141 /nfs/dbraw/zinc/14/11/41/794141141.db2.gz USRSRGOJEKLRPL-IAGOWNOFSA-N 2 2 351.454 1.978 20 30 FDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC000981775257 808470862 /nfs/dbraw/zinc/47/08/62/808470862.db2.gz ZDNCEXRPEIOUOL-QZTJIDSGSA-N 2 2 352.482 1.712 20 30 FDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC000981775257 808470866 /nfs/dbraw/zinc/47/08/66/808470866.db2.gz ZDNCEXRPEIOUOL-QZTJIDSGSA-N 2 2 352.482 1.712 20 30 FDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000424142722 815317331 /nfs/dbraw/zinc/31/73/31/815317331.db2.gz DVLFSGKIYXOQDB-SFHVURJKSA-N 2 2 360.458 1.035 20 30 FDEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CCN(c2ncccn2)CC1 ZINC000262025965 811370828 /nfs/dbraw/zinc/37/08/28/811370828.db2.gz ZJORJPXSOJLCRP-UHFFFAOYSA-N 2 2 371.514 1.033 20 30 FDEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)N1CCN(c2ncccn2)CC1 ZINC000262025965 811370837 /nfs/dbraw/zinc/37/08/37/811370837.db2.gz ZJORJPXSOJLCRP-UHFFFAOYSA-N 2 2 371.514 1.033 20 30 FDEDLP C[C@@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000262254694 811424427 /nfs/dbraw/zinc/42/44/27/811424427.db2.gz CKZDLFYQYCMPAT-WBVHZDCISA-N 2 2 360.506 1.742 20 30 FDEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000328669091 819526955 /nfs/dbraw/zinc/52/69/55/819526955.db2.gz FORWVOJGEKTTRZ-UHFFFAOYSA-N 2 2 365.522 1.015 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799878 820485025 /nfs/dbraw/zinc/48/50/25/820485025.db2.gz LLXCZZPZFRREHG-ARFHVFGLSA-N 2 2 368.319 1.770 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799878 820485028 /nfs/dbraw/zinc/48/50/28/820485028.db2.gz LLXCZZPZFRREHG-ARFHVFGLSA-N 2 2 368.319 1.770 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1CC ZINC001087576311 821580279 /nfs/dbraw/zinc/58/02/79/821580279.db2.gz AGFKMZMMXYJBLB-GOEBONIOSA-N 2 2 353.898 1.780 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1CC ZINC001087576311 821580282 /nfs/dbraw/zinc/58/02/82/821580282.db2.gz AGFKMZMMXYJBLB-GOEBONIOSA-N 2 2 353.898 1.780 20 30 FDEDLP CC[N@H+]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329452717 824804103 /nfs/dbraw/zinc/80/41/03/824804103.db2.gz PBLQBDSEKRZKAI-UHFFFAOYSA-N 2 2 374.489 1.042 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)nc[nH+]1 ZINC000330189582 825712195 /nfs/dbraw/zinc/71/21/95/825712195.db2.gz LXCYHRSQCVSGSH-BEFAXECRSA-N 2 2 373.505 1.429 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)nc[nH+]1 ZINC000330189582 825712206 /nfs/dbraw/zinc/71/22/06/825712206.db2.gz LXCYHRSQCVSGSH-BEFAXECRSA-N 2 2 373.505 1.429 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]cn1 ZINC000330189582 825712214 /nfs/dbraw/zinc/71/22/14/825712214.db2.gz LXCYHRSQCVSGSH-BEFAXECRSA-N 2 2 373.505 1.429 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]cn1 ZINC000330189582 825712224 /nfs/dbraw/zinc/71/22/24/825712224.db2.gz LXCYHRSQCVSGSH-BEFAXECRSA-N 2 2 373.505 1.429 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(O)(C(F)F)CC3)CC2)CC1 ZINC000330284867 825793998 /nfs/dbraw/zinc/79/39/98/825793998.db2.gz YBXHAFCJVVFAEZ-UHFFFAOYSA-N 2 2 374.476 1.551 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079004 826130234 /nfs/dbraw/zinc/13/02/34/826130234.db2.gz IPQDGDBUJNLAOP-WSTZPKSXSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079004 826130235 /nfs/dbraw/zinc/13/02/35/826130235.db2.gz IPQDGDBUJNLAOP-WSTZPKSXSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079004 826130236 /nfs/dbraw/zinc/13/02/36/826130236.db2.gz IPQDGDBUJNLAOP-WSTZPKSXSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079004 826130237 /nfs/dbraw/zinc/13/02/37/826130237.db2.gz IPQDGDBUJNLAOP-WSTZPKSXSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nonc4C)CC[C@@H]3C2)CC1 ZINC001088212232 827493633 /nfs/dbraw/zinc/49/36/33/827493633.db2.gz WOFJYCUDGQRWRW-MSOLQXFVSA-N 2 2 371.485 1.004 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nonc4C)CC[C@@H]3C2)CC1 ZINC001088212232 827493636 /nfs/dbraw/zinc/49/36/36/827493636.db2.gz WOFJYCUDGQRWRW-MSOLQXFVSA-N 2 2 371.485 1.004 20 30 FDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000528415844 829395127 /nfs/dbraw/zinc/39/51/27/829395127.db2.gz JXYMDDKKHINQCV-LPHOPBHVSA-N 2 2 353.466 1.948 20 30 FDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000528415844 829395138 /nfs/dbraw/zinc/39/51/38/829395138.db2.gz JXYMDDKKHINQCV-LPHOPBHVSA-N 2 2 353.466 1.948 20 30 FDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000528415844 829395148 /nfs/dbraw/zinc/39/51/48/829395148.db2.gz JXYMDDKKHINQCV-LPHOPBHVSA-N 2 2 353.466 1.948 20 30 FDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000528415844 829395156 /nfs/dbraw/zinc/39/51/56/829395156.db2.gz JXYMDDKKHINQCV-LPHOPBHVSA-N 2 2 353.466 1.948 20 30 FDEDLP CC[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000263262715 832753772 /nfs/dbraw/zinc/75/37/72/832753772.db2.gz TYHGWBAZUJNBKQ-IYBDPMFKSA-N 2 2 367.538 1.004 20 30 FDEDLP CC[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000263262715 832753780 /nfs/dbraw/zinc/75/37/80/832753780.db2.gz TYHGWBAZUJNBKQ-IYBDPMFKSA-N 2 2 367.538 1.004 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc3nonc3c2)[C@@H]1C ZINC001088631410 838603977 /nfs/dbraw/zinc/60/39/77/838603977.db2.gz KCNCXGAYYAMDGF-ALKREAHSSA-N 2 2 367.453 1.399 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc3nonc3c2)[C@@H]1C ZINC001088631410 838603988 /nfs/dbraw/zinc/60/39/88/838603988.db2.gz KCNCXGAYYAMDGF-ALKREAHSSA-N 2 2 367.453 1.399 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc3nonc3c2)[C@@H]1C ZINC001088631410 838603992 /nfs/dbraw/zinc/60/39/92/838603992.db2.gz KCNCXGAYYAMDGF-ALKREAHSSA-N 2 2 367.453 1.399 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc3nonc3c2)[C@@H]1C ZINC001088631410 838603996 /nfs/dbraw/zinc/60/39/96/838603996.db2.gz KCNCXGAYYAMDGF-ALKREAHSSA-N 2 2 367.453 1.399 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000760555765 842279339 /nfs/dbraw/zinc/27/93/39/842279339.db2.gz LKBXULZXACKCMI-OALUTQOASA-N 2 2 357.523 1.818 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000760555765 842279349 /nfs/dbraw/zinc/27/93/49/842279349.db2.gz LKBXULZXACKCMI-OALUTQOASA-N 2 2 357.523 1.818 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000760555765 842279359 /nfs/dbraw/zinc/27/93/59/842279359.db2.gz LKBXULZXACKCMI-OALUTQOASA-N 2 2 357.523 1.818 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000760555765 842279370 /nfs/dbraw/zinc/27/93/70/842279370.db2.gz LKBXULZXACKCMI-OALUTQOASA-N 2 2 357.523 1.818 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105648099 842415873 /nfs/dbraw/zinc/41/58/73/842415873.db2.gz WTJLUUWJRCFCGR-JYBIWHBTSA-N 2 2 358.486 1.263 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(C)cn4)C[C@H]32)CC1 ZINC001076604476 848553495 /nfs/dbraw/zinc/55/34/95/848553495.db2.gz HWEROUFMJWNOGD-RBUKOAKNSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(C)cn4)C[C@H]32)CC1 ZINC001076604476 848553497 /nfs/dbraw/zinc/55/34/97/848553497.db2.gz HWEROUFMJWNOGD-RBUKOAKNSA-N 2 2 367.497 1.163 20 30 FDEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077280560 850380101 /nfs/dbraw/zinc/38/01/01/850380101.db2.gz DAVUPBYCAAXIQG-HSALFYBXSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077280560 850380122 /nfs/dbraw/zinc/38/01/22/850380122.db2.gz DAVUPBYCAAXIQG-HSALFYBXSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077280560 850380129 /nfs/dbraw/zinc/38/01/29/850380129.db2.gz DAVUPBYCAAXIQG-HSALFYBXSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077280560 850380146 /nfs/dbraw/zinc/38/01/46/850380146.db2.gz DAVUPBYCAAXIQG-HSALFYBXSA-N 2 2 370.497 1.340 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089041405 866242586 /nfs/dbraw/zinc/24/25/86/866242586.db2.gz ULFVFCPIWUBRBG-BEFAXECRSA-N 2 2 354.429 1.961 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089041405 866242605 /nfs/dbraw/zinc/24/26/05/866242605.db2.gz ULFVFCPIWUBRBG-BEFAXECRSA-N 2 2 354.429 1.961 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106131216 869366153 /nfs/dbraw/zinc/36/61/53/869366153.db2.gz QVPUZFKGYZVKKO-CRAIPNDOSA-N 2 2 354.454 1.590 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001106479560 875603720 /nfs/dbraw/zinc/60/37/20/875603720.db2.gz HHGLWOGOMNDMNI-OIISXLGYSA-N 2 2 357.926 1.924 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001106479560 875603725 /nfs/dbraw/zinc/60/37/25/875603725.db2.gz HHGLWOGOMNDMNI-OIISXLGYSA-N 2 2 357.926 1.924 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000917637990 883607589 /nfs/dbraw/zinc/60/75/89/883607589.db2.gz VILGNLCQGHTDRL-GOSISDBHSA-N 2 2 370.501 1.459 20 30 FDEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC001034665481 884637557 /nfs/dbraw/zinc/63/75/57/884637557.db2.gz KINNUOVUFXMTGQ-WRQOLXDDSA-N 2 2 371.485 1.317 20 30 FDEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC001034665481 884637571 /nfs/dbraw/zinc/63/75/71/884637571.db2.gz KINNUOVUFXMTGQ-WRQOLXDDSA-N 2 2 371.485 1.317 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129003792 884991027 /nfs/dbraw/zinc/99/10/27/884991027.db2.gz HNTWNFRKAVDFGS-ZACQAIPSSA-N 2 2 371.489 1.606 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129003792 884991028 /nfs/dbraw/zinc/99/10/28/884991028.db2.gz HNTWNFRKAVDFGS-ZACQAIPSSA-N 2 2 371.489 1.606 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](n2ccnn2)C1 ZINC001129064715 885627539 /nfs/dbraw/zinc/62/75/39/885627539.db2.gz MPXKLFODKMSPKD-SJORKVTESA-N 2 2 371.489 1.526 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](n2ccnn2)C1 ZINC001129064715 885627546 /nfs/dbraw/zinc/62/75/46/885627546.db2.gz MPXKLFODKMSPKD-SJORKVTESA-N 2 2 371.489 1.526 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001212301050 889978441 /nfs/dbraw/zinc/97/84/41/889978441.db2.gz AAEXWQFFHBXUPM-KBAYOESNSA-N 2 2 360.502 1.932 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001212301050 889978445 /nfs/dbraw/zinc/97/84/45/889978445.db2.gz AAEXWQFFHBXUPM-KBAYOESNSA-N 2 2 360.502 1.932 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263908 902307440 /nfs/dbraw/zinc/30/74/40/902307440.db2.gz RAOVWIJIXJNRLL-OKZBNKHCSA-N 2 2 356.470 1.407 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1F ZINC001079300927 902347882 /nfs/dbraw/zinc/34/78/82/902347882.db2.gz VQYMLIRHNZABFB-HHXXYDBFSA-N 2 2 366.440 1.802 20 30 FDEDLP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950500 903748713 /nfs/dbraw/zinc/74/87/13/903748713.db2.gz WVQXJPKHBMGNAL-XNFNUYLZSA-N 2 2 373.472 1.333 20 30 FDEDLP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950500 903748717 /nfs/dbraw/zinc/74/87/17/903748717.db2.gz WVQXJPKHBMGNAL-XNFNUYLZSA-N 2 2 373.472 1.333 20 30 FDEDLP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079950500 903748727 /nfs/dbraw/zinc/74/87/27/903748727.db2.gz WVQXJPKHBMGNAL-XNFNUYLZSA-N 2 2 373.472 1.333 20 30 FDEDLP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079950500 903748736 /nfs/dbraw/zinc/74/87/36/903748736.db2.gz WVQXJPKHBMGNAL-XNFNUYLZSA-N 2 2 373.472 1.333 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001082767458 910065947 /nfs/dbraw/zinc/06/59/47/910065947.db2.gz WLQNMBRSSMQUPH-CXAGYDPISA-N 2 2 353.426 1.469 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ocnc3C)[C@H]2C1 ZINC001084961035 918906860 /nfs/dbraw/zinc/90/68/60/918906860.db2.gz HCILVUGOPKEQTK-SQNIBIBYSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ocnc3C)[C@H]2C1 ZINC001084961035 918906867 /nfs/dbraw/zinc/90/68/67/918906867.db2.gz HCILVUGOPKEQTK-SQNIBIBYSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ocnc3C)[C@H]2C1 ZINC001084961035 918906870 /nfs/dbraw/zinc/90/68/70/918906870.db2.gz HCILVUGOPKEQTK-SQNIBIBYSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ocnc3C)[C@H]2C1 ZINC001084961035 918906873 /nfs/dbraw/zinc/90/68/73/918906873.db2.gz HCILVUGOPKEQTK-SQNIBIBYSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(CC)n1 ZINC001085230049 922984585 /nfs/dbraw/zinc/98/45/85/922984585.db2.gz YHDPHTMNLKNESF-QRVBRYPASA-N 2 2 357.502 1.518 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(CC)n1 ZINC001085230049 922984587 /nfs/dbraw/zinc/98/45/87/922984587.db2.gz YHDPHTMNLKNESF-QRVBRYPASA-N 2 2 357.502 1.518 20 30 FDEDLP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)cc1C#N ZINC001085438487 924729201 /nfs/dbraw/zinc/72/92/01/924729201.db2.gz QMBHSXVCDURPRK-QZTJIDSGSA-N 2 2 367.453 1.981 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(C#N)cc2)O1 ZINC001085670620 925035952 /nfs/dbraw/zinc/03/59/52/925035952.db2.gz APAODQZRPMDMHE-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(C#N)cc2)O1 ZINC001085670620 925035962 /nfs/dbraw/zinc/03/59/62/925035962.db2.gz APAODQZRPMDMHE-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)O1 ZINC001085670620 925035971 /nfs/dbraw/zinc/03/59/71/925035971.db2.gz APAODQZRPMDMHE-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)O1 ZINC001085670620 925035981 /nfs/dbraw/zinc/03/59/81/925035981.db2.gz APAODQZRPMDMHE-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C(=[NH+]NCC[NH+]1CCCCC1)c1c(N2CCOCC2)nc2ccccn21 ZINC000741806651 925868402 /nfs/dbraw/zinc/86/84/02/925868402.db2.gz MTBJQKKWLPYWEV-UHFFFAOYSA-N 2 2 356.474 1.580 20 30 FDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001086436793 927249211 /nfs/dbraw/zinc/24/92/11/927249211.db2.gz WIDWHIREPYAOQG-VQHPVUNQSA-N 2 2 371.909 1.103 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001109717285 930198542 /nfs/dbraw/zinc/19/85/42/930198542.db2.gz JNESXAVGGFZCCG-RDGPPVDQSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001109717285 930198544 /nfs/dbraw/zinc/19/85/44/930198544.db2.gz JNESXAVGGFZCCG-RDGPPVDQSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717285 930198548 /nfs/dbraw/zinc/19/85/48/930198548.db2.gz JNESXAVGGFZCCG-RDGPPVDQSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717285 930198549 /nfs/dbraw/zinc/19/85/49/930198549.db2.gz JNESXAVGGFZCCG-RDGPPVDQSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798288 930434955 /nfs/dbraw/zinc/43/49/55/930434955.db2.gz DFDWTPMKJRIEDA-VSZNYVQBSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798288 930434959 /nfs/dbraw/zinc/43/49/59/930434959.db2.gz DFDWTPMKJRIEDA-VSZNYVQBSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798288 930434963 /nfs/dbraw/zinc/43/49/63/930434963.db2.gz DFDWTPMKJRIEDA-VSZNYVQBSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798288 930434968 /nfs/dbraw/zinc/43/49/68/930434968.db2.gz DFDWTPMKJRIEDA-VSZNYVQBSA-N 2 2 362.518 1.273 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001086594969 933899636 /nfs/dbraw/zinc/89/96/36/933899636.db2.gz DFNWAOLTCAQGMW-GSEOLPGOSA-N 2 2 355.482 1.313 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001086594969 933899640 /nfs/dbraw/zinc/89/96/40/933899640.db2.gz DFNWAOLTCAQGMW-GSEOLPGOSA-N 2 2 355.482 1.313 20 30 FDEDLP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086594969 933899644 /nfs/dbraw/zinc/89/96/44/933899644.db2.gz DFNWAOLTCAQGMW-GSEOLPGOSA-N 2 2 355.482 1.313 20 30 FDEDLP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086594969 933899647 /nfs/dbraw/zinc/89/96/47/933899647.db2.gz DFNWAOLTCAQGMW-GSEOLPGOSA-N 2 2 355.482 1.313 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001129803243 938516783 /nfs/dbraw/zinc/51/67/83/938516783.db2.gz BPFHPJJWUMFBRO-XHSDSOJGSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001130057033 938641198 /nfs/dbraw/zinc/64/11/98/938641198.db2.gz FSWQJSCWRQKLII-CVEARBPZSA-N 2 2 357.462 1.332 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cn(C)cn1 ZINC001130616784 939928248 /nfs/dbraw/zinc/92/82/48/939928248.db2.gz BFOOXSXFFWRKOQ-VDZJLULYSA-N 2 2 368.485 1.339 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cn(C)cn1 ZINC001130617249 939928828 /nfs/dbraw/zinc/92/88/28/939928828.db2.gz WPYPHMGFERYURQ-SOLBZPMBSA-N 2 2 368.485 1.339 20 30 FDEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614160 940793156 /nfs/dbraw/zinc/79/31/56/940793156.db2.gz ZXSQJPUOJDHSRT-MSOLQXFVSA-N 2 2 355.523 1.542 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857332 953567591 /nfs/dbraw/zinc/56/75/91/953567591.db2.gz FXTZTAPJWRYLDB-ZBFHGGJFSA-N 2 2 367.291 1.880 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857332 953567598 /nfs/dbraw/zinc/56/75/98/953567598.db2.gz FXTZTAPJWRYLDB-ZBFHGGJFSA-N 2 2 367.291 1.880 20 30 FDEDLP CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12 ZINC001092372249 955044488 /nfs/dbraw/zinc/04/44/88/955044488.db2.gz INXZSJMIVCLPEC-GVDBMIGSSA-N 2 2 355.486 1.209 20 30 FDEDLP CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1nccn12 ZINC001092372249 955044500 /nfs/dbraw/zinc/04/45/00/955044500.db2.gz INXZSJMIVCLPEC-GVDBMIGSSA-N 2 2 355.486 1.209 20 30 FDEDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001176281893 963400955 /nfs/dbraw/zinc/40/09/55/963400955.db2.gz QZTZPDYVQUOWDA-QGZVFWFLSA-N 2 2 374.444 1.892 20 30 FDEDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC001176281893 963400961 /nfs/dbraw/zinc/40/09/61/963400961.db2.gz QZTZPDYVQUOWDA-QGZVFWFLSA-N 2 2 374.444 1.892 20 30 FDEDLP C#CCC[NH+]1CCN(CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000776593272 967275512 /nfs/dbraw/zinc/27/55/12/967275512.db2.gz FDGGOIKRBZWNRD-HXUWFJFHSA-N 2 2 368.525 1.533 20 30 FDEDLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O ZINC001193892217 969910869 /nfs/dbraw/zinc/91/08/69/969910869.db2.gz GJKMWZQMNPNSEU-XUVXKRRUSA-N 2 2 355.482 1.074 20 30 FDEDLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O ZINC001193892217 969910871 /nfs/dbraw/zinc/91/08/71/969910871.db2.gz GJKMWZQMNPNSEU-XUVXKRRUSA-N 2 2 355.482 1.074 20 30 FDEDLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193892217 969910872 /nfs/dbraw/zinc/91/08/72/969910872.db2.gz GJKMWZQMNPNSEU-XUVXKRRUSA-N 2 2 355.482 1.074 20 30 FDEDLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193892217 969910873 /nfs/dbraw/zinc/91/08/73/969910873.db2.gz GJKMWZQMNPNSEU-XUVXKRRUSA-N 2 2 355.482 1.074 20 30 FDEDLP C=C(Cl)C[C@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000865301428 974220142 /nfs/dbraw/zinc/22/01/42/974220142.db2.gz LVYDICIRIZXSCV-OAHLLOKOSA-N 2 2 354.882 1.608 20 30 FDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865442506 974298175 /nfs/dbraw/zinc/29/81/75/974298175.db2.gz NIUQERUVHGJKMH-IBGZPJMESA-N 2 2 357.502 1.657 20 30 FDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865442506 974298183 /nfs/dbraw/zinc/29/81/83/974298183.db2.gz NIUQERUVHGJKMH-IBGZPJMESA-N 2 2 357.502 1.657 20 30 FDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCO1 ZINC001200528761 974807588 /nfs/dbraw/zinc/80/75/88/974807588.db2.gz OBHPSXKPFPHSJI-GUDVDZBRSA-N 2 2 370.497 1.384 20 30 FDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCO1 ZINC001200529709 974809935 /nfs/dbraw/zinc/80/99/35/974809935.db2.gz XPOGZXFOTSDXKR-KZNAEPCWSA-N 2 2 358.486 1.547 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000847416654 975596761 /nfs/dbraw/zinc/59/67/61/975596761.db2.gz PSOCJWUMQADTCQ-UHFFFAOYSA-N 3 2 360.546 1.350 20 30 FDEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000867962226 977146415 /nfs/dbraw/zinc/14/64/15/977146415.db2.gz MTRQACHEWDGRON-KHYOSLBOSA-N 2 2 370.497 1.749 20 30 FDEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000867962226 977146418 /nfs/dbraw/zinc/14/64/18/977146418.db2.gz MTRQACHEWDGRON-KHYOSLBOSA-N 2 2 370.497 1.749 20 30 FDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000883131315 981969004 /nfs/dbraw/zinc/96/90/04/981969004.db2.gz VTCGIMHPFAWRKA-UHFFFAOYSA-N 2 2 365.437 1.251 20 30 FDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000883131315 981969006 /nfs/dbraw/zinc/96/90/06/981969006.db2.gz VTCGIMHPFAWRKA-UHFFFAOYSA-N 2 2 365.437 1.251 20 30 FDEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883372130 982101168 /nfs/dbraw/zinc/10/11/68/982101168.db2.gz NGELZVCAMHWOTE-UYAOXDASSA-N 2 2 372.513 1.864 20 30 FDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000859281870 982677836 /nfs/dbraw/zinc/67/78/36/982677836.db2.gz YIUNWGFSKQLHNJ-INIZCTEOSA-N 2 2 362.433 1.899 20 30 FDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000859281870 982677840 /nfs/dbraw/zinc/67/78/40/982677840.db2.gz YIUNWGFSKQLHNJ-INIZCTEOSA-N 2 2 362.433 1.899 20 30 FDEDLP C(#CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000364963661 989919394 /nfs/dbraw/zinc/91/93/94/989919394.db2.gz QVARZCDTCYGKAJ-SZPZYZBQSA-N 3 2 358.574 1.825 20 30 FDEDLP C(#CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000364963661 989919396 /nfs/dbraw/zinc/91/93/96/989919396.db2.gz QVARZCDTCYGKAJ-SZPZYZBQSA-N 3 2 358.574 1.825 20 30 FDEDLP C(#CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000364963661 989919400 /nfs/dbraw/zinc/91/94/00/989919400.db2.gz QVARZCDTCYGKAJ-SZPZYZBQSA-N 3 2 358.574 1.825 20 30 FDEDLP C(#CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000364963661 989919405 /nfs/dbraw/zinc/91/94/05/989919405.db2.gz QVARZCDTCYGKAJ-SZPZYZBQSA-N 3 2 358.574 1.825 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000371336624 990366445 /nfs/dbraw/zinc/36/64/45/990366445.db2.gz PXIKWMUASPCOQA-GOSISDBHSA-N 2 2 352.486 1.806 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000371336624 990366456 /nfs/dbraw/zinc/36/64/56/990366456.db2.gz PXIKWMUASPCOQA-GOSISDBHSA-N 2 2 352.486 1.806 20 30 FDEDLP C#CC[C@@H](COC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000875926633 992199287 /nfs/dbraw/zinc/19/92/87/992199287.db2.gz HVBOMDZZTYYOMX-KRWDZBQOSA-N 2 2 350.507 1.226 20 30 FDEDLP C#CC[C@@H](COC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000875926633 992199300 /nfs/dbraw/zinc/19/93/00/992199300.db2.gz HVBOMDZZTYYOMX-KRWDZBQOSA-N 2 2 350.507 1.226 20 30 FDEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000467206213 993277856 /nfs/dbraw/zinc/27/78/56/993277856.db2.gz LNILXKZQNSSKRC-IBGZPJMESA-N 2 2 356.470 1.661 20 30 FDEDLP N#Cc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1Br ZINC000926114353 995922839 /nfs/dbraw/zinc/92/28/39/995922839.db2.gz HGNGKYOHLPJYLC-UHFFFAOYSA-N 2 2 366.263 1.865 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000890368974 998916558 /nfs/dbraw/zinc/91/65/58/998916558.db2.gz PFQQTKRJFBUJFS-KRWDZBQOSA-N 2 2 350.507 1.084 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000890368974 998916559 /nfs/dbraw/zinc/91/65/59/998916559.db2.gz PFQQTKRJFBUJFS-KRWDZBQOSA-N 2 2 350.507 1.084 20 30 FDEDLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000931483197 1004199089 /nfs/dbraw/zinc/19/90/89/1004199089.db2.gz DCHMTJPHTLNCAW-UHFFFAOYSA-N 2 2 350.850 1.539 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263147 1007331690 /nfs/dbraw/zinc/33/16/90/1007331690.db2.gz BKIZXNRYNQNKDK-QRVBRYPASA-N 2 2 374.529 1.132 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263147 1007331703 /nfs/dbraw/zinc/33/17/03/1007331703.db2.gz BKIZXNRYNQNKDK-QRVBRYPASA-N 2 2 374.529 1.132 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CCOCCOC)CC2)CC1 ZINC000650852132 1012844116 /nfs/dbraw/zinc/84/41/16/1012844116.db2.gz RNWJCFZZEMRDQN-UHFFFAOYSA-N 2 2 368.522 1.017 20 30 FDEDLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000522200168 539550671 /nfs/dbraw/zinc/55/06/71/539550671.db2.gz ZLWPQSMMDSKQHQ-UHFFFAOYSA-N 2 2 352.442 1.591 20 30 FDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528511881 539764304 /nfs/dbraw/zinc/76/43/04/539764304.db2.gz WQKGKFPDBVMHEV-APWZRJJASA-N 2 2 359.470 1.483 20 30 FDEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000535668494 540492164 /nfs/dbraw/zinc/49/21/64/540492164.db2.gz MJVGAIZFXXVQAU-UHFFFAOYSA-N 2 2 373.482 1.460 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000537035509 540676403 /nfs/dbraw/zinc/67/64/03/540676403.db2.gz JHBFSOGQFWVUGX-UHFFFAOYSA-N 2 2 368.478 1.344 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000537035509 540676407 /nfs/dbraw/zinc/67/64/07/540676407.db2.gz JHBFSOGQFWVUGX-UHFFFAOYSA-N 2 2 368.478 1.344 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC000153684560 173478121 /nfs/dbraw/zinc/47/81/21/173478121.db2.gz MFPZOORHVMRONS-UHFFFAOYSA-N 2 2 371.485 1.357 20 30 FDEDLP N#Cc1cnn2c1NC[C@@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)C2 ZINC000557596563 544315605 /nfs/dbraw/zinc/31/56/05/544315605.db2.gz IOMCBACVPBIFHH-QGZVFWFLSA-N 2 2 361.453 1.874 20 30 FDEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000332159728 259246281 /nfs/dbraw/zinc/24/62/81/259246281.db2.gz YMCPKSLPTNKRDP-QGZVFWFLSA-N 2 2 358.442 1.294 20 30 FDEDLP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332331576 259257859 /nfs/dbraw/zinc/25/78/59/259257859.db2.gz QWDQFOKGXVDSPL-OALUTQOASA-N 2 2 355.486 1.868 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000076512882 523127890 /nfs/dbraw/zinc/12/78/90/523127890.db2.gz UNNVADBDMTZOTB-UHFFFAOYSA-N 2 2 355.442 1.587 20 30 FDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC000089661822 524517982 /nfs/dbraw/zinc/51/79/82/524517982.db2.gz VNLZPMQFXLKNMW-UHFFFAOYSA-N 2 2 363.425 1.930 20 30 FDEDLP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(c2cccs2)CC1 ZINC000158895619 524549222 /nfs/dbraw/zinc/54/92/22/524549222.db2.gz PTSPNNZJTPGNSW-HNNXBMFYSA-N 2 2 351.520 1.166 20 30 FDEDLP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(c2cccs2)CC1 ZINC000158895619 524549228 /nfs/dbraw/zinc/54/92/28/524549228.db2.gz PTSPNNZJTPGNSW-HNNXBMFYSA-N 2 2 351.520 1.166 20 30 FDEDLP C=CCNC(=O)c1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175240015 524915912 /nfs/dbraw/zinc/91/59/12/524915912.db2.gz KFUUTIVJTCZGNP-UHFFFAOYSA-N 2 2 373.501 1.750 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000153850057 525344800 /nfs/dbraw/zinc/34/48/00/525344800.db2.gz DADZLSFTQVUKDK-ICSRJNTNSA-N 2 2 369.513 1.421 20 30 FDEDLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCC#N ZINC000167079150 525596623 /nfs/dbraw/zinc/59/66/23/525596623.db2.gz BORNBDHACQRQRF-ROUUACIJSA-N 2 2 370.563 1.889 20 30 FDEDLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCC#N ZINC000167079150 525596632 /nfs/dbraw/zinc/59/66/32/525596632.db2.gz BORNBDHACQRQRF-ROUUACIJSA-N 2 2 370.563 1.889 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188304869 536289325 /nfs/dbraw/zinc/28/93/25/536289325.db2.gz OMLMGEOMZSMGTC-GHTZIAJQSA-N 2 2 372.513 1.563 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188304869 536289326 /nfs/dbraw/zinc/28/93/26/536289326.db2.gz OMLMGEOMZSMGTC-GHTZIAJQSA-N 2 2 372.513 1.563 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188304869 536289327 /nfs/dbraw/zinc/28/93/27/536289327.db2.gz OMLMGEOMZSMGTC-GHTZIAJQSA-N 2 2 372.513 1.563 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188304869 536289328 /nfs/dbraw/zinc/28/93/28/536289328.db2.gz OMLMGEOMZSMGTC-GHTZIAJQSA-N 2 2 372.513 1.563 20 30 FDEDLP C[NH+]=C(NCc1c(C)nn(C)c1C)NCc1cccnc1-n1cc[nH+]c1C ZINC000262838340 536915586 /nfs/dbraw/zinc/91/55/86/536915586.db2.gz TUQMXGDMHLCBLE-UHFFFAOYSA-N 2 2 366.473 1.791 20 30 FDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000371293902 537806165 /nfs/dbraw/zinc/80/61/65/537806165.db2.gz IEZZQLJEKDABIW-QRVBRYPASA-N 2 2 356.470 1.358 20 30 FDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000371293902 537806169 /nfs/dbraw/zinc/80/61/69/537806169.db2.gz IEZZQLJEKDABIW-QRVBRYPASA-N 2 2 356.470 1.358 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000560932693 545633553 /nfs/dbraw/zinc/63/35/53/545633553.db2.gz LLPLMYPOXIXDPY-ICSRJNTNSA-N 2 2 361.486 1.439 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000560932693 545633557 /nfs/dbraw/zinc/63/35/57/545633557.db2.gz LLPLMYPOXIXDPY-ICSRJNTNSA-N 2 2 361.486 1.439 20 30 FDEDLP C[NH+](C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000567677500 548208134 /nfs/dbraw/zinc/20/81/34/548208134.db2.gz ZKBNCYMPGMNFCH-UHFFFAOYSA-N 2 2 358.467 1.578 20 30 FDEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000572405513 549907530 /nfs/dbraw/zinc/90/75/30/549907530.db2.gz UGTJICDOQRKCKB-IAGOWNOFSA-N 2 2 367.501 1.591 20 30 FDEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CCC2 ZINC000572835047 550005031 /nfs/dbraw/zinc/00/50/31/550005031.db2.gz MQGRCSJUERPWOX-HNNXBMFYSA-N 2 2 359.455 1.399 20 30 FDEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574581107 550337315 /nfs/dbraw/zinc/33/73/15/550337315.db2.gz ADOJSXLHBJWSEC-WUJZJPHMSA-N 2 2 358.490 1.851 20 30 FDEDLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150655 551950730 /nfs/dbraw/zinc/95/07/30/551950730.db2.gz FXSYFMGHJXMLEZ-IMFGXOCKSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150655 551950732 /nfs/dbraw/zinc/95/07/32/551950732.db2.gz FXSYFMGHJXMLEZ-IMFGXOCKSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@](O)(CC#N)C1 ZINC000592150655 551950733 /nfs/dbraw/zinc/95/07/33/551950733.db2.gz FXSYFMGHJXMLEZ-IMFGXOCKSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@](O)(CC#N)C1 ZINC000592150655 551950735 /nfs/dbraw/zinc/95/07/35/551950735.db2.gz FXSYFMGHJXMLEZ-IMFGXOCKSA-N 2 2 356.470 1.116 20 30 FDEDLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc(OC)c1 ZINC000594438832 552310640 /nfs/dbraw/zinc/31/06/40/552310640.db2.gz MIIJRGZMSHOIMH-IBGZPJMESA-N 2 2 374.485 1.759 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000595505440 552574517 /nfs/dbraw/zinc/57/45/17/552574517.db2.gz UGQZAICUWLTGEL-QUCCMNQESA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000595505440 552574519 /nfs/dbraw/zinc/57/45/19/552574519.db2.gz UGQZAICUWLTGEL-QUCCMNQESA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000595505440 552574520 /nfs/dbraw/zinc/57/45/20/552574520.db2.gz UGQZAICUWLTGEL-QUCCMNQESA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000595505440 552574523 /nfs/dbraw/zinc/57/45/23/552574523.db2.gz UGQZAICUWLTGEL-QUCCMNQESA-N 2 2 361.534 1.096 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595862429 552624933 /nfs/dbraw/zinc/62/49/33/552624933.db2.gz BNBVWPQHQUZZEN-RBUKOAKNSA-N 2 2 359.470 1.023 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595862429 552624934 /nfs/dbraw/zinc/62/49/34/552624934.db2.gz BNBVWPQHQUZZEN-RBUKOAKNSA-N 2 2 359.470 1.023 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000597990236 552853182 /nfs/dbraw/zinc/85/31/82/552853182.db2.gz SOWNHQZDEZCNAF-UHFFFAOYSA-N 2 2 355.442 1.827 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000597990236 552853183 /nfs/dbraw/zinc/85/31/83/552853183.db2.gz SOWNHQZDEZCNAF-UHFFFAOYSA-N 2 2 355.442 1.827 20 30 FDEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899718 554577701 /nfs/dbraw/zinc/57/77/01/554577701.db2.gz GFLHRINSNWCENE-APWZRJJASA-N 2 2 371.485 1.105 20 30 FDEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899718 554577702 /nfs/dbraw/zinc/57/77/02/554577702.db2.gz GFLHRINSNWCENE-APWZRJJASA-N 2 2 371.485 1.105 20 30 FDEDLP COc1cc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1C#N ZINC000619654651 555818321 /nfs/dbraw/zinc/81/83/21/555818321.db2.gz JLJLPNNYBVGOEX-INIZCTEOSA-N 2 2 353.426 1.581 20 30 FDEDLP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261942071 672698242 /nfs/dbraw/zinc/69/82/42/672698242.db2.gz DSLSCYONSQBPBN-HOTGVXAUSA-N 2 2 372.579 1.724 20 30 FDEDLP CC[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261942071 672698247 /nfs/dbraw/zinc/69/82/47/672698247.db2.gz DSLSCYONSQBPBN-HOTGVXAUSA-N 2 2 372.579 1.724 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000328766323 676605999 /nfs/dbraw/zinc/60/59/99/676605999.db2.gz FGNUGCKFMGXXMK-BZUAXINKSA-N 2 2 352.479 1.350 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000328766323 676606000 /nfs/dbraw/zinc/60/60/00/676606000.db2.gz FGNUGCKFMGXXMK-BZUAXINKSA-N 2 2 352.479 1.350 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000328766323 676606003 /nfs/dbraw/zinc/60/60/03/676606003.db2.gz FGNUGCKFMGXXMK-BZUAXINKSA-N 2 2 352.479 1.350 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000328766323 676606008 /nfs/dbraw/zinc/60/60/08/676606008.db2.gz FGNUGCKFMGXXMK-BZUAXINKSA-N 2 2 352.479 1.350 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000418520976 680080928 /nfs/dbraw/zinc/08/09/28/680080928.db2.gz FOZABKCQCAZXBX-UHFFFAOYSA-N 2 2 351.401 1.370 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000418520976 680080932 /nfs/dbraw/zinc/08/09/32/680080932.db2.gz FOZABKCQCAZXBX-UHFFFAOYSA-N 2 2 351.401 1.370 20 30 FDEDLP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083192996 771018581 /nfs/dbraw/zinc/01/85/81/771018581.db2.gz XLVKJHWEEGCTCM-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083192996 771018589 /nfs/dbraw/zinc/01/85/89/771018589.db2.gz XLVKJHWEEGCTCM-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083192996 771018593 /nfs/dbraw/zinc/01/85/93/771018593.db2.gz XLVKJHWEEGCTCM-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083192996 771018600 /nfs/dbraw/zinc/01/86/00/771018600.db2.gz XLVKJHWEEGCTCM-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738263 790511515 /nfs/dbraw/zinc/51/15/15/790511515.db2.gz NXEMDPZDFZUFAZ-BRWVUGGUSA-N 2 2 361.490 1.211 20 30 FDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104363844 777489610 /nfs/dbraw/zinc/48/96/10/777489610.db2.gz KQDCBEYUTVDYMC-KZNAEPCWSA-N 2 2 360.502 1.722 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638694 792388706 /nfs/dbraw/zinc/38/87/06/792388706.db2.gz DQHPZEDEJXJCPQ-QFBILLFUSA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638694 792388721 /nfs/dbraw/zinc/38/87/21/792388721.db2.gz DQHPZEDEJXJCPQ-QFBILLFUSA-N 2 2 370.497 1.952 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378500266 794221953 /nfs/dbraw/zinc/22/19/53/794221953.db2.gz XDRBUUACKGIJDH-GOSISDBHSA-N 2 2 356.470 1.382 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378500266 794221955 /nfs/dbraw/zinc/22/19/55/794221955.db2.gz XDRBUUACKGIJDH-GOSISDBHSA-N 2 2 356.470 1.382 20 30 FDEDLP C=CC[C@]1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCC[NH2+]1 ZINC000662672210 806944696 /nfs/dbraw/zinc/94/46/96/806944696.db2.gz XPHFVVULQIAJQC-OAQYLSRUSA-N 2 2 370.497 1.904 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)cc1 ZINC000418632510 809089372 /nfs/dbraw/zinc/08/93/72/809089372.db2.gz ZADKKXFHVJSKNZ-IBGZPJMESA-N 2 2 355.486 1.903 20 30 FDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000261845560 814226027 /nfs/dbraw/zinc/22/60/27/814226027.db2.gz XDODQGRGXYFPLX-UHFFFAOYSA-N 2 2 374.876 1.456 20 30 FDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000367089494 814318275 /nfs/dbraw/zinc/31/82/75/814318275.db2.gz LKKUADPYDMQETJ-GOSISDBHSA-N 2 2 351.454 1.863 20 30 FDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000367089494 814318285 /nfs/dbraw/zinc/31/82/85/814318285.db2.gz LKKUADPYDMQETJ-GOSISDBHSA-N 2 2 351.454 1.863 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087465887 815859712 /nfs/dbraw/zinc/85/97/12/815859712.db2.gz NSGZSBZYVAMXLU-RTBURBONSA-N 2 2 354.429 1.938 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087465887 815859719 /nfs/dbraw/zinc/85/97/19/815859719.db2.gz NSGZSBZYVAMXLU-RTBURBONSA-N 2 2 354.429 1.938 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3c(F)cccc3C#N)CC2)CC1 ZINC000509559127 817744147 /nfs/dbraw/zinc/74/41/47/817744147.db2.gz KVMDCQBZZPXNHQ-UHFFFAOYSA-N 2 2 358.461 1.915 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087529445 820613459 /nfs/dbraw/zinc/61/34/59/820613459.db2.gz HDURXVKQKBKMSK-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087529445 820613471 /nfs/dbraw/zinc/61/34/71/820613471.db2.gz HDURXVKQKBKMSK-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087529445 820613478 /nfs/dbraw/zinc/61/34/78/820613478.db2.gz HDURXVKQKBKMSK-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087529445 820613488 /nfs/dbraw/zinc/61/34/88/820613488.db2.gz HDURXVKQKBKMSK-IPMKNSEASA-N 2 2 356.470 1.358 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(OC)n2)[C@@H]1CC ZINC001087607038 821712635 /nfs/dbraw/zinc/71/26/35/821712635.db2.gz HNVGZDZNLJPKRR-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(OC)n2)[C@@H]1CC ZINC001087607038 821712642 /nfs/dbraw/zinc/71/26/42/821712642.db2.gz HNVGZDZNLJPKRR-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(OC)n2)[C@@H]1CC ZINC001087607038 821712648 /nfs/dbraw/zinc/71/26/48/821712648.db2.gz HNVGZDZNLJPKRR-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(OC)n2)[C@@H]1CC ZINC001087607038 821712652 /nfs/dbraw/zinc/71/26/52/821712652.db2.gz HNVGZDZNLJPKRR-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccs3)CC[C@@H]2C1 ZINC001087998057 825075507 /nfs/dbraw/zinc/07/55/07/825075507.db2.gz OWEMWTNUANVZED-IKGGRYGDSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccs3)CC[C@@H]2C1 ZINC001087998057 825075517 /nfs/dbraw/zinc/07/55/17/825075517.db2.gz OWEMWTNUANVZED-IKGGRYGDSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nccs3)CC[C@@H]2C1 ZINC001087998057 825075522 /nfs/dbraw/zinc/07/55/22/825075522.db2.gz OWEMWTNUANVZED-IKGGRYGDSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nccs3)CC[C@@H]2C1 ZINC001087998057 825075531 /nfs/dbraw/zinc/07/55/31/825075531.db2.gz OWEMWTNUANVZED-IKGGRYGDSA-N 2 2 358.511 1.521 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000329881411 825520945 /nfs/dbraw/zinc/52/09/45/825520945.db2.gz OMUATAPRAKNUGH-INIZCTEOSA-N 2 2 374.489 1.884 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000329881411 825520949 /nfs/dbraw/zinc/52/09/49/825520949.db2.gz OMUATAPRAKNUGH-INIZCTEOSA-N 2 2 374.489 1.884 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079199 826130054 /nfs/dbraw/zinc/13/00/54/826130054.db2.gz QQZFNBYENJCXKU-WSTZPKSXSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079199 826130059 /nfs/dbraw/zinc/13/00/59/826130059.db2.gz QQZFNBYENJCXKU-WSTZPKSXSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079199 826130063 /nfs/dbraw/zinc/13/00/63/826130063.db2.gz QQZFNBYENJCXKU-WSTZPKSXSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079199 826130066 /nfs/dbraw/zinc/13/00/66/826130066.db2.gz QQZFNBYENJCXKU-WSTZPKSXSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001088238612 827651019 /nfs/dbraw/zinc/65/10/19/827651019.db2.gz YMQHNJYLGDKOKW-IPMKNSEASA-N 2 2 370.497 1.486 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001088238612 827651021 /nfs/dbraw/zinc/65/10/21/827651021.db2.gz YMQHNJYLGDKOKW-IPMKNSEASA-N 2 2 370.497 1.486 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000532986681 835605795 /nfs/dbraw/zinc/60/57/95/835605795.db2.gz UDYQOAYIBAENLL-OALUTQOASA-N 2 2 355.486 1.185 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000532986681 835605800 /nfs/dbraw/zinc/60/58/00/835605800.db2.gz UDYQOAYIBAENLL-OALUTQOASA-N 2 2 355.486 1.185 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)cc1 ZINC001077444061 861577178 /nfs/dbraw/zinc/57/71/78/861577178.db2.gz JAKZUIHSASSTEF-AQNXPRMDSA-N 2 2 368.481 1.094 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2C)C[C@H]1O ZINC001077158558 849951913 /nfs/dbraw/zinc/95/19/13/849951913.db2.gz LKMSPLAWDWOYFG-QHAWAJNXSA-N 2 2 369.509 1.371 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)C[C@H]1O ZINC001077158558 849951916 /nfs/dbraw/zinc/95/19/16/849951916.db2.gz LKMSPLAWDWOYFG-QHAWAJNXSA-N 2 2 369.509 1.371 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)cc(C)cc2C)C[C@H]1O ZINC001077158558 849951921 /nfs/dbraw/zinc/95/19/21/849951921.db2.gz LKMSPLAWDWOYFG-QHAWAJNXSA-N 2 2 369.509 1.371 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)cc(C)cc2C)C[C@H]1O ZINC001077158558 849951925 /nfs/dbraw/zinc/95/19/25/849951925.db2.gz LKMSPLAWDWOYFG-QHAWAJNXSA-N 2 2 369.509 1.371 20 30 FDEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000669253110 862684928 /nfs/dbraw/zinc/68/49/28/862684928.db2.gz VMCVRBNIZDPIHY-GOSISDBHSA-N 2 2 364.534 1.524 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000158119570 864068965 /nfs/dbraw/zinc/06/89/65/864068965.db2.gz HEEFXCLAMGCUGT-LJQANCHMSA-N 2 2 364.534 1.709 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc4n(n3)CCC4)[C@@H]2C)CC1 ZINC001089059503 866386609 /nfs/dbraw/zinc/38/66/09/866386609.db2.gz OSKSXGUWQGPIQL-UZLBHIALSA-N 2 2 369.513 1.254 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)[C@@H]2C)CC1 ZINC001089059503 866386622 /nfs/dbraw/zinc/38/66/22/866386622.db2.gz OSKSXGUWQGPIQL-UZLBHIALSA-N 2 2 369.513 1.254 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033288417 882213122 /nfs/dbraw/zinc/21/31/22/882213122.db2.gz BCXOAEAHACRLLD-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033288417 882213140 /nfs/dbraw/zinc/21/31/40/882213140.db2.gz BCXOAEAHACRLLD-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212496049 872520678 /nfs/dbraw/zinc/52/06/78/872520678.db2.gz WMZTVGMHSZWIOZ-QZTJIDSGSA-N 2 2 364.490 1.912 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212496049 872520687 /nfs/dbraw/zinc/52/06/87/872520687.db2.gz WMZTVGMHSZWIOZ-QZTJIDSGSA-N 2 2 364.490 1.912 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001106475039 875561781 /nfs/dbraw/zinc/56/17/81/875561781.db2.gz XHJFYSRDELUZMK-QRVBRYPASA-N 2 2 367.534 1.374 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001106475039 875561791 /nfs/dbraw/zinc/56/17/91/875561791.db2.gz XHJFYSRDELUZMK-QRVBRYPASA-N 2 2 367.534 1.374 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414631 912217115 /nfs/dbraw/zinc/21/71/15/912217115.db2.gz PNVWMVJOIRPFTP-RTBURBONSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414631 912217129 /nfs/dbraw/zinc/21/71/29/912217129.db2.gz PNVWMVJOIRPFTP-RTBURBONSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212414631 912217140 /nfs/dbraw/zinc/21/71/40/912217140.db2.gz PNVWMVJOIRPFTP-RTBURBONSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212414631 912217161 /nfs/dbraw/zinc/21/71/61/912217161.db2.gz PNVWMVJOIRPFTP-RTBURBONSA-N 2 2 356.470 1.358 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128945136 884271058 /nfs/dbraw/zinc/27/10/58/884271058.db2.gz RCHLCUMSCCUJQZ-OAGGEKHMSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128945136 884271079 /nfs/dbraw/zinc/27/10/79/884271079.db2.gz RCHLCUMSCCUJQZ-OAGGEKHMSA-N 2 2 357.462 1.330 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)CC1 ZINC000919963713 886443580 /nfs/dbraw/zinc/44/35/80/886443580.db2.gz YDASFNJHDRIEPA-UHFFFAOYSA-N 2 2 369.509 1.993 20 30 FDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001001667767 899128902 /nfs/dbraw/zinc/12/89/02/899128902.db2.gz ALCDMDWLULMRSV-MOPGFXCFSA-N 2 2 365.518 1.271 20 30 FDEDLP C#CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000763950028 900851191 /nfs/dbraw/zinc/85/11/91/900851191.db2.gz IDGVRDAADGABDU-UHFFFAOYSA-N 2 2 355.482 1.827 20 30 FDEDLP C#CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000763950028 900851199 /nfs/dbraw/zinc/85/11/99/900851199.db2.gz IDGVRDAADGABDU-UHFFFAOYSA-N 2 2 355.482 1.827 20 30 FDEDLP C#CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000763950028 900851204 /nfs/dbraw/zinc/85/12/04/900851204.db2.gz IDGVRDAADGABDU-UHFFFAOYSA-N 2 2 355.482 1.827 20 30 FDEDLP C#CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000763950028 900851213 /nfs/dbraw/zinc/85/12/13/900851213.db2.gz IDGVRDAADGABDU-UHFFFAOYSA-N 2 2 355.482 1.827 20 30 FDEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079239184 902183915 /nfs/dbraw/zinc/18/39/15/902183915.db2.gz HJDRWMHVZFDMGP-DLBZAZTESA-N 2 2 358.486 1.858 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248339 902264100 /nfs/dbraw/zinc/26/41/00/902264100.db2.gz UUFHHVXRULLJAJ-NZSAHSFTSA-N 2 2 370.497 1.571 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095997 905760425 /nfs/dbraw/zinc/76/04/25/905760425.db2.gz SRCVFEJCSYVROL-RTBURBONSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095997 905760435 /nfs/dbraw/zinc/76/04/35/905760435.db2.gz SRCVFEJCSYVROL-RTBURBONSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326461 906907057 /nfs/dbraw/zinc/90/70/57/906907057.db2.gz DXJYPGXCDLXIKH-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326461 906907058 /nfs/dbraw/zinc/90/70/58/906907058.db2.gz DXJYPGXCDLXIKH-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326461 906907062 /nfs/dbraw/zinc/90/70/62/906907062.db2.gz DXJYPGXCDLXIKH-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326461 906907067 /nfs/dbraw/zinc/90/70/67/906907067.db2.gz DXJYPGXCDLXIKH-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082384657 907394839 /nfs/dbraw/zinc/39/48/39/907394839.db2.gz GWPQMFUMXAWCJE-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082384657 907394859 /nfs/dbraw/zinc/39/48/59/907394859.db2.gz GWPQMFUMXAWCJE-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082384657 907394874 /nfs/dbraw/zinc/39/48/74/907394874.db2.gz GWPQMFUMXAWCJE-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082384657 907394891 /nfs/dbraw/zinc/39/48/91/907394891.db2.gz GWPQMFUMXAWCJE-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001082673525 909514201 /nfs/dbraw/zinc/51/42/01/909514201.db2.gz UYDUZDRMIYFTKL-CRAIPNDOSA-N 2 2 367.453 1.790 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000730106319 916095746 /nfs/dbraw/zinc/09/57/46/916095746.db2.gz XSNHMBNANCQPQW-PXNSSMCTSA-N 2 2 355.482 1.621 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000730106319 916095764 /nfs/dbraw/zinc/09/57/64/916095764.db2.gz XSNHMBNANCQPQW-PXNSSMCTSA-N 2 2 355.482 1.621 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000730106319 916095781 /nfs/dbraw/zinc/09/57/81/916095781.db2.gz XSNHMBNANCQPQW-PXNSSMCTSA-N 2 2 355.482 1.621 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000730106319 916095799 /nfs/dbraw/zinc/09/57/99/916095799.db2.gz XSNHMBNANCQPQW-PXNSSMCTSA-N 2 2 355.482 1.621 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000730097980 916121000 /nfs/dbraw/zinc/12/10/00/916121000.db2.gz QTLRHFVOBYNZIM-FQEVSTJZSA-N 2 2 354.498 1.860 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000730097980 916121008 /nfs/dbraw/zinc/12/10/08/916121008.db2.gz QTLRHFVOBYNZIM-FQEVSTJZSA-N 2 2 354.498 1.860 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001084910955 918245556 /nfs/dbraw/zinc/24/55/56/918245556.db2.gz JPIIVBVAWZFXGP-AABGKKOBSA-N 2 2 368.481 1.312 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001084910955 918245574 /nfs/dbraw/zinc/24/55/74/918245574.db2.gz JPIIVBVAWZFXGP-AABGKKOBSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001084910955 918245588 /nfs/dbraw/zinc/24/55/88/918245588.db2.gz JPIIVBVAWZFXGP-AABGKKOBSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001084910955 918245602 /nfs/dbraw/zinc/24/56/02/918245602.db2.gz JPIIVBVAWZFXGP-AABGKKOBSA-N 2 2 368.481 1.312 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001084911021 918245663 /nfs/dbraw/zinc/24/56/63/918245663.db2.gz LGTWZKIWDHKUGR-QHAWAJNXSA-N 2 2 367.493 1.292 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001084911021 918245672 /nfs/dbraw/zinc/24/56/72/918245672.db2.gz LGTWZKIWDHKUGR-QHAWAJNXSA-N 2 2 367.493 1.292 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001084911021 918245685 /nfs/dbraw/zinc/24/56/85/918245685.db2.gz LGTWZKIWDHKUGR-QHAWAJNXSA-N 2 2 367.493 1.292 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001084911021 918245700 /nfs/dbraw/zinc/24/57/00/918245700.db2.gz LGTWZKIWDHKUGR-QHAWAJNXSA-N 2 2 367.493 1.292 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646456 930001296 /nfs/dbraw/zinc/00/12/96/930001296.db2.gz XLWHLJACSYRCJR-NBMJBFSESA-N 2 2 356.470 1.125 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646456 930001303 /nfs/dbraw/zinc/00/13/03/930001303.db2.gz XLWHLJACSYRCJR-NBMJBFSESA-N 2 2 356.470 1.125 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109857900 930611690 /nfs/dbraw/zinc/61/16/90/930611690.db2.gz JADVLCSCPTVPFE-DFEOGRTESA-N 2 2 364.534 1.377 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109857900 930611692 /nfs/dbraw/zinc/61/16/92/930611692.db2.gz JADVLCSCPTVPFE-DFEOGRTESA-N 2 2 364.534 1.377 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966429 930926219 /nfs/dbraw/zinc/92/62/19/930926219.db2.gz QEMPRCMQOXTPNB-FCIYXJNOSA-N 2 2 369.509 1.835 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966429 930926222 /nfs/dbraw/zinc/92/62/22/930926222.db2.gz QEMPRCMQOXTPNB-FCIYXJNOSA-N 2 2 369.509 1.835 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129917070 938553811 /nfs/dbraw/zinc/55/38/11/938553811.db2.gz KFYHBHDVJJGTST-JQHSSLGASA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130022824 938621105 /nfs/dbraw/zinc/62/11/05/938621105.db2.gz NXIOORCEACBTAH-ZACQAIPSSA-N 2 2 357.462 1.434 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131012939 940444800 /nfs/dbraw/zinc/44/48/00/940444800.db2.gz TXHPKRAZSIHCHZ-KURKYZTESA-N 2 2 370.501 1.974 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038152 940466122 /nfs/dbraw/zinc/46/61/22/940466122.db2.gz BYZPJQRQQXNRDK-RCCFBDPRSA-N 2 2 370.501 1.946 20 30 FDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946749 953810191 /nfs/dbraw/zinc/81/01/91/953810191.db2.gz KLPHTMQABKLKPE-QFUCXCTJSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946749 953810196 /nfs/dbraw/zinc/81/01/96/953810196.db2.gz KLPHTMQABKLKPE-QFUCXCTJSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946749 953810210 /nfs/dbraw/zinc/81/02/10/953810210.db2.gz KLPHTMQABKLKPE-QFUCXCTJSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946749 953810219 /nfs/dbraw/zinc/81/02/19/953810219.db2.gz KLPHTMQABKLKPE-QFUCXCTJSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093449434 958116174 /nfs/dbraw/zinc/11/61/74/958116174.db2.gz GWYKGFJJSWTTIG-ANTGDGSKSA-N 2 2 366.465 1.776 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001093479501 958298806 /nfs/dbraw/zinc/29/88/06/958298806.db2.gz KHFAOQBTWRMHKN-LMSBXDPUSA-N 2 2 366.893 1.602 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001094132572 959855873 /nfs/dbraw/zinc/85/58/73/959855873.db2.gz MAIDQSRYXJXOJW-CZUORRHYSA-N 2 2 355.417 1.847 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncccn1)CC2 ZINC001094437785 960484953 /nfs/dbraw/zinc/48/49/53/960484953.db2.gz ZNLARDMCOBLLLY-WAOWUJCRSA-N 2 2 367.497 1.435 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncccn1)CC2 ZINC001094437785 960484966 /nfs/dbraw/zinc/48/49/66/960484966.db2.gz ZNLARDMCOBLLLY-WAOWUJCRSA-N 2 2 367.497 1.435 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ncccn1)CC2 ZINC001094437785 960484976 /nfs/dbraw/zinc/48/49/76/960484976.db2.gz ZNLARDMCOBLLLY-WAOWUJCRSA-N 2 2 367.497 1.435 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ncccn1)CC2 ZINC001094437785 960484987 /nfs/dbraw/zinc/48/49/87/960484987.db2.gz ZNLARDMCOBLLLY-WAOWUJCRSA-N 2 2 367.497 1.435 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193902432 969914767 /nfs/dbraw/zinc/91/47/67/969914767.db2.gz RSNXCDPXQGYLQK-KBRIMQKVSA-N 2 2 362.499 1.155 20 30 FDEDLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193902432 969914772 /nfs/dbraw/zinc/91/47/72/969914772.db2.gz RSNXCDPXQGYLQK-KBRIMQKVSA-N 2 2 362.499 1.155 20 30 FDEDLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193902432 969914774 /nfs/dbraw/zinc/91/47/74/969914774.db2.gz RSNXCDPXQGYLQK-KBRIMQKVSA-N 2 2 362.499 1.155 20 30 FDEDLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193902432 969914776 /nfs/dbraw/zinc/91/47/76/969914776.db2.gz RSNXCDPXQGYLQK-KBRIMQKVSA-N 2 2 362.499 1.155 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000866668602 975890902 /nfs/dbraw/zinc/89/09/02/975890902.db2.gz SPAOQYBFBFNDJY-OALUTQOASA-N 2 2 357.454 1.863 20 30 FDEDLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)cc1 ZINC000867997960 977181482 /nfs/dbraw/zinc/18/14/82/977181482.db2.gz MYPKDYWBWBOFLY-RTBURBONSA-N 2 2 358.486 1.723 20 30 FDEDLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)cc1 ZINC000867997960 977181488 /nfs/dbraw/zinc/18/14/88/977181488.db2.gz MYPKDYWBWBOFLY-RTBURBONSA-N 2 2 358.486 1.723 20 30 FDEDLP CC(C)(C)OC(=O)N1CCN2C(NCCCCn3cc[nH+]c3)=[NH+]C[C@H]2C1 ZINC000849087237 977308193 /nfs/dbraw/zinc/30/81/93/977308193.db2.gz PFSMWYCZTMWAOC-HNNXBMFYSA-N 2 2 362.478 1.544 20 30 FDEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000852099133 979349961 /nfs/dbraw/zinc/34/99/61/979349961.db2.gz FKICRYHNKFZLDX-FQEVSTJZSA-N 2 2 357.502 1.949 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000884062035 982793868 /nfs/dbraw/zinc/79/38/68/982793868.db2.gz DQSIIMMXAREWQS-IBGZPJMESA-N 2 2 355.486 1.443 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000884062035 982793870 /nfs/dbraw/zinc/79/38/70/982793870.db2.gz DQSIIMMXAREWQS-IBGZPJMESA-N 2 2 355.486 1.443 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000884185676 982961217 /nfs/dbraw/zinc/96/12/17/982961217.db2.gz CSPXJZNSRCALNC-LPHOPBHVSA-N 2 2 373.497 1.981 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000884185676 982961220 /nfs/dbraw/zinc/96/12/20/982961220.db2.gz CSPXJZNSRCALNC-LPHOPBHVSA-N 2 2 373.497 1.981 20 30 FDEDLP CN1CC[NH+](Cc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c2)CC1 ZINC000884234801 983010996 /nfs/dbraw/zinc/01/09/96/983010996.db2.gz FEDSBVKNMZUCBD-IDYZSHNDSA-N 2 2 367.497 1.512 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000884361147 983114181 /nfs/dbraw/zinc/11/41/81/983114181.db2.gz NDYZMUSOAILKFI-SFHVURJKSA-N 2 2 355.486 1.887 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000884361147 983114185 /nfs/dbraw/zinc/11/41/85/983114185.db2.gz NDYZMUSOAILKFI-SFHVURJKSA-N 2 2 355.486 1.887 20 30 FDEDLP CN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366855489 988819505 /nfs/dbraw/zinc/81/95/05/988819505.db2.gz SXRSOTMZUQDRFG-IBGZPJMESA-N 2 2 370.497 1.758 20 30 FDEDLP CN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366855489 988819515 /nfs/dbraw/zinc/81/95/15/988819515.db2.gz SXRSOTMZUQDRFG-IBGZPJMESA-N 2 2 370.497 1.758 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000369961665 989344539 /nfs/dbraw/zinc/34/45/39/989344539.db2.gz LNNGSTBBZPIBOP-ATZDWAIDSA-N 2 2 356.470 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000369961665 989344549 /nfs/dbraw/zinc/34/45/49/989344549.db2.gz LNNGSTBBZPIBOP-ATZDWAIDSA-N 2 2 356.470 1.976 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3cccc(C#N)c3)C2)CC1 ZINC000370295111 989632244 /nfs/dbraw/zinc/63/22/44/989632244.db2.gz UORBAABUGZGPBV-SFHVURJKSA-N 2 2 355.486 1.568 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3cccc(C#N)c3)C2)CC1 ZINC000370295111 989632249 /nfs/dbraw/zinc/63/22/49/989632249.db2.gz UORBAABUGZGPBV-SFHVURJKSA-N 2 2 355.486 1.568 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000371875596 990792530 /nfs/dbraw/zinc/79/25/30/990792530.db2.gz DMJCIYGOZUZSMP-SFHVURJKSA-N 2 2 369.513 1.297 20 30 FDEDLP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000372608315 991267016 /nfs/dbraw/zinc/26/70/16/991267016.db2.gz MKFNQAFACOYUGE-UHFFFAOYSA-N 2 2 351.454 1.863 20 30 FDEDLP C[NH+]=C(NCc1ccco1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264031927 997384691 /nfs/dbraw/zinc/38/46/91/997384691.db2.gz DXCMANOPRIGVBQ-UHFFFAOYSA-N 2 2 372.469 1.856 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110857911 999054828 /nfs/dbraw/zinc/05/48/28/999054828.db2.gz WQIAVYICSQCSKO-QRVBRYPASA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110857911 999054833 /nfs/dbraw/zinc/05/48/33/999054833.db2.gz WQIAVYICSQCSKO-QRVBRYPASA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857911 999054836 /nfs/dbraw/zinc/05/48/36/999054836.db2.gz WQIAVYICSQCSKO-QRVBRYPASA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857911 999054840 /nfs/dbraw/zinc/05/48/40/999054840.db2.gz WQIAVYICSQCSKO-QRVBRYPASA-N 2 2 374.529 1.112 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000928656702 1001612509 /nfs/dbraw/zinc/61/25/09/1001612509.db2.gz BVCCCLRFCGAMHS-IBGZPJMESA-N 2 2 357.523 1.990 20 30 FDEDLP C=C[C@H](CC)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000932143017 1004791879 /nfs/dbraw/zinc/79/18/79/1004791879.db2.gz JAJRIZADXCAIDX-QGZVFWFLSA-N 2 2 364.534 1.286 20 30 FDEDLP C#CCNC(=O)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000795880780 1008313409 /nfs/dbraw/zinc/31/34/09/1008313409.db2.gz UHNFQZSOKJMABF-UHFFFAOYSA-N 2 2 368.525 1.660 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccccc2C#N)O1 ZINC000960715572 1011237946 /nfs/dbraw/zinc/23/79/46/1011237946.db2.gz DDKPCFGEQBAIEP-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccccc2C#N)O1 ZINC000960715572 1011237965 /nfs/dbraw/zinc/23/79/65/1011237965.db2.gz DDKPCFGEQBAIEP-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccccc2C#N)O1 ZINC000960715572 1011237971 /nfs/dbraw/zinc/23/79/71/1011237971.db2.gz DDKPCFGEQBAIEP-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccccc2C#N)O1 ZINC000960715572 1011237981 /nfs/dbraw/zinc/23/79/81/1011237981.db2.gz DDKPCFGEQBAIEP-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP COC(=O)c1cccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1C#N ZINC000541853534 541281569 /nfs/dbraw/zinc/28/15/69/541281569.db2.gz LUQGZFRPNPJVGZ-UHFFFAOYSA-N 2 2 373.453 1.004 20 30 FDEDLP Cc1nc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000183777805 258380150 /nfs/dbraw/zinc/38/01/50/258380150.db2.gz PBPZWOFRURCDLA-UHFFFAOYSA-N 2 2 350.426 1.808 20 30 FDEDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C1 ZINC000363816812 259666778 /nfs/dbraw/zinc/66/67/78/259666778.db2.gz JTMZLGOESAYAKO-NRFANRHFSA-N 2 2 372.513 1.665 20 30 FDEDLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C1 ZINC000363816812 259666781 /nfs/dbraw/zinc/66/67/81/259666781.db2.gz JTMZLGOESAYAKO-NRFANRHFSA-N 2 2 372.513 1.665 20 30 FDEDLP C[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374250045 261100022 /nfs/dbraw/zinc/10/00/22/261100022.db2.gz QZHSPJUBVSGDEK-KRWDZBQOSA-N 2 2 369.513 1.911 20 30 FDEDLP C[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374250045 261100023 /nfs/dbraw/zinc/10/00/23/261100023.db2.gz QZHSPJUBVSGDEK-KRWDZBQOSA-N 2 2 369.513 1.911 20 30 FDEDLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccc(C#N)cc1 ZINC000378576996 262048822 /nfs/dbraw/zinc/04/88/22/262048822.db2.gz IOSLHQSOWCXFJT-VQIMIIECSA-N 2 2 356.470 1.532 20 30 FDEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857216 521962073 /nfs/dbraw/zinc/96/20/73/521962073.db2.gz VTMDNKZMMHUBNJ-SFHVURJKSA-N 2 2 356.470 1.931 20 30 FDEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857216 521962084 /nfs/dbraw/zinc/96/20/84/521962084.db2.gz VTMDNKZMMHUBNJ-SFHVURJKSA-N 2 2 356.470 1.931 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000051888749 523091979 /nfs/dbraw/zinc/09/19/79/523091979.db2.gz ZGZAPQNUZKWVQY-UHFFFAOYSA-N 2 2 369.469 1.172 20 30 FDEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968930 523923674 /nfs/dbraw/zinc/92/36/74/523923674.db2.gz RNRCMZZCLPCXAM-NRFANRHFSA-N 2 2 369.513 1.829 20 30 FDEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968930 523923675 /nfs/dbraw/zinc/92/36/75/523923675.db2.gz RNRCMZZCLPCXAM-NRFANRHFSA-N 2 2 369.513 1.829 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111230847 524228170 /nfs/dbraw/zinc/22/81/70/524228170.db2.gz PENLDPLKONAPIL-OALUTQOASA-N 2 2 350.551 1.901 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111230847 524228176 /nfs/dbraw/zinc/22/81/76/524228176.db2.gz PENLDPLKONAPIL-OALUTQOASA-N 2 2 350.551 1.901 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486337 524599649 /nfs/dbraw/zinc/59/96/49/524599649.db2.gz OYFWAKJBMGYRAC-LJQANCHMSA-N 2 2 356.470 1.313 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486337 524599655 /nfs/dbraw/zinc/59/96/55/524599655.db2.gz OYFWAKJBMGYRAC-LJQANCHMSA-N 2 2 356.470 1.313 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486337 524599662 /nfs/dbraw/zinc/59/96/62/524599662.db2.gz OYFWAKJBMGYRAC-LJQANCHMSA-N 2 2 356.470 1.313 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486337 524599665 /nfs/dbraw/zinc/59/96/65/524599665.db2.gz OYFWAKJBMGYRAC-LJQANCHMSA-N 2 2 356.470 1.313 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000123171145 524695088 /nfs/dbraw/zinc/69/50/88/524695088.db2.gz ARFCKCROCUXVME-JKSUJKDBSA-N 2 2 366.531 1.546 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000123171145 524695100 /nfs/dbraw/zinc/69/51/00/524695100.db2.gz ARFCKCROCUXVME-JKSUJKDBSA-N 2 2 366.531 1.546 20 30 FDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000174722912 524709209 /nfs/dbraw/zinc/70/92/09/524709209.db2.gz WRMZQKOOKZXZTL-UHFFFAOYSA-N 2 2 357.502 1.503 20 30 FDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000174722912 524709217 /nfs/dbraw/zinc/70/92/17/524709217.db2.gz WRMZQKOOKZXZTL-UHFFFAOYSA-N 2 2 357.502 1.503 20 30 FDEDLP C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159956087 524775703 /nfs/dbraw/zinc/77/57/03/524775703.db2.gz VAGGIGQYBBFACA-CVEARBPZSA-N 2 2 370.505 1.860 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000092619032 524899857 /nfs/dbraw/zinc/89/98/57/524899857.db2.gz UATYCMQJDCOWDS-SFHVURJKSA-N 2 2 358.490 1.212 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266556486 536902199 /nfs/dbraw/zinc/90/21/99/536902199.db2.gz NBAGQEOQUKHNDB-FQEVSTJZSA-N 2 2 355.482 1.445 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266556486 536902202 /nfs/dbraw/zinc/90/22/02/536902202.db2.gz NBAGQEOQUKHNDB-FQEVSTJZSA-N 2 2 355.482 1.445 20 30 FDEDLP CN(C)C(NCc1ccccc1)=[NH+]C[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000364399971 537392697 /nfs/dbraw/zinc/39/26/97/537392697.db2.gz AWSYDMSTGAFTGT-FQEVSTJZSA-N 2 2 360.502 1.575 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000330357196 537655266 /nfs/dbraw/zinc/65/52/66/537655266.db2.gz SNASOWCBWVPTHM-CYBMUJFWSA-N 2 2 359.478 1.163 20 30 FDEDLP C#CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000371757057 537830137 /nfs/dbraw/zinc/83/01/37/537830137.db2.gz JZHOESVJGOITOB-IBGZPJMESA-N 2 2 355.482 1.939 20 30 FDEDLP C#CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000371757057 537830139 /nfs/dbraw/zinc/83/01/39/537830139.db2.gz JZHOESVJGOITOB-IBGZPJMESA-N 2 2 355.482 1.939 20 30 FDEDLP C[C@H]1C[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000572114522 549845235 /nfs/dbraw/zinc/84/52/35/549845235.db2.gz ZEKJJFIZESBTDO-INIZCTEOSA-N 2 2 365.499 1.422 20 30 FDEDLP C[C@H]1C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000572114522 549845237 /nfs/dbraw/zinc/84/52/37/549845237.db2.gz ZEKJJFIZESBTDO-INIZCTEOSA-N 2 2 365.499 1.422 20 30 FDEDLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000572804352 549997957 /nfs/dbraw/zinc/99/79/57/549997957.db2.gz UJZSTYCOMXYFAY-RDJZCZTQSA-N 2 2 362.499 1.405 20 30 FDEDLP Cn1c[nH+]c(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000590947997 551828764 /nfs/dbraw/zinc/82/87/64/551828764.db2.gz IQNVVNAYVOEJAC-UHFFFAOYSA-N 2 2 366.469 1.752 20 30 FDEDLP Cn1c[nH+]c(CCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000590947997 551828766 /nfs/dbraw/zinc/82/87/66/551828766.db2.gz IQNVVNAYVOEJAC-UHFFFAOYSA-N 2 2 366.469 1.752 20 30 FDEDLP CC[NH+]1CCN(c2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)c(C)c2)CC1 ZINC000591773509 551907704 /nfs/dbraw/zinc/90/77/04/551907704.db2.gz CRNCXMSNSLNIGN-LJQANCHMSA-N 2 2 359.518 1.755 20 30 FDEDLP CC[NH+]1CCN(c2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c(C)c2)CC1 ZINC000591773509 551907706 /nfs/dbraw/zinc/90/77/06/551907706.db2.gz CRNCXMSNSLNIGN-LJQANCHMSA-N 2 2 359.518 1.755 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CCO2 ZINC000592183112 551954916 /nfs/dbraw/zinc/95/49/16/551954916.db2.gz RHZHSVUXZRERBW-UHFFFAOYSA-N 2 2 353.426 1.905 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CCO2 ZINC000592183112 551954917 /nfs/dbraw/zinc/95/49/17/551954917.db2.gz RHZHSVUXZRERBW-UHFFFAOYSA-N 2 2 353.426 1.905 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cnc12 ZINC000592504243 552003167 /nfs/dbraw/zinc/00/31/67/552003167.db2.gz RDNFKYTUKQUMEX-ROUUACIJSA-N 2 2 354.458 1.458 20 30 FDEDLP CC(C)(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000593885336 552217285 /nfs/dbraw/zinc/21/72/85/552217285.db2.gz CBOJHDIBPRXSBV-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000594502751 552326456 /nfs/dbraw/zinc/32/64/56/552326456.db2.gz QPZQZLDHBHGESP-FQEVSTJZSA-N 2 2 356.514 1.984 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000594822252 552398823 /nfs/dbraw/zinc/39/88/23/552398823.db2.gz TXINAYFGQIZPML-UHFFFAOYSA-N 2 2 356.467 1.000 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000594822252 552398824 /nfs/dbraw/zinc/39/88/24/552398824.db2.gz TXINAYFGQIZPML-UHFFFAOYSA-N 2 2 356.467 1.000 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000595106119 552452255 /nfs/dbraw/zinc/45/22/55/552452255.db2.gz IQHZNFOWNHUSQB-HNNXBMFYSA-N 2 2 359.474 1.079 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000595106119 552452256 /nfs/dbraw/zinc/45/22/56/552452256.db2.gz IQHZNFOWNHUSQB-HNNXBMFYSA-N 2 2 359.474 1.079 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595124058 552458707 /nfs/dbraw/zinc/45/87/07/552458707.db2.gz DODXSOLTUFHMQB-UHFFFAOYSA-N 2 2 365.865 1.150 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595124058 552458708 /nfs/dbraw/zinc/45/87/08/552458708.db2.gz DODXSOLTUFHMQB-UHFFFAOYSA-N 2 2 365.865 1.150 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595862425 552624926 /nfs/dbraw/zinc/62/49/26/552624926.db2.gz BNBVWPQHQUZZEN-MOPGFXCFSA-N 2 2 359.470 1.023 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595862425 552624927 /nfs/dbraw/zinc/62/49/27/552624927.db2.gz BNBVWPQHQUZZEN-MOPGFXCFSA-N 2 2 359.470 1.023 20 30 FDEDLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000595907793 552631707 /nfs/dbraw/zinc/63/17/07/552631707.db2.gz YLRKDEFAKDTMHM-RBUKOAKNSA-N 2 2 356.470 1.706 20 30 FDEDLP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000595907793 552631708 /nfs/dbraw/zinc/63/17/08/552631708.db2.gz YLRKDEFAKDTMHM-RBUKOAKNSA-N 2 2 356.470 1.706 20 30 FDEDLP N#Cc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2=O)cc1 ZINC000596047320 552649619 /nfs/dbraw/zinc/64/96/19/552649619.db2.gz PKFJHPIFNPCCNN-OALUTQOASA-N 2 2 354.454 1.506 20 30 FDEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000610899721 554577694 /nfs/dbraw/zinc/57/76/94/554577694.db2.gz GFLHRINSNWCENE-VQIMIIECSA-N 2 2 371.485 1.105 20 30 FDEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899721 554577695 /nfs/dbraw/zinc/57/76/95/554577695.db2.gz GFLHRINSNWCENE-VQIMIIECSA-N 2 2 371.485 1.105 20 30 FDEDLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCN(CCC#N)CC3)CC2)c1 ZINC000611174917 554612201 /nfs/dbraw/zinc/61/22/01/554612201.db2.gz SWKOPUILJZFECG-UHFFFAOYSA-N 2 2 369.513 1.171 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083175133 671472271 /nfs/dbraw/zinc/47/22/71/671472271.db2.gz VUCMMHDPIBXJDB-INIZCTEOSA-N 3 2 365.591 1.750 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083175133 671472274 /nfs/dbraw/zinc/47/22/74/671472274.db2.gz VUCMMHDPIBXJDB-INIZCTEOSA-N 3 2 365.591 1.750 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000083175133 671472277 /nfs/dbraw/zinc/47/22/77/671472277.db2.gz VUCMMHDPIBXJDB-INIZCTEOSA-N 2 2 365.591 1.750 20 30 FDEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943805 672698852 /nfs/dbraw/zinc/69/88/52/672698852.db2.gz FGDSUNWTBAYQCS-YJBOKZPZSA-N 2 2 372.579 1.581 20 30 FDEDLP CC[NH+]=C(NC[C@@H](C)[NH+]1CCC(C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261977439 672705883 /nfs/dbraw/zinc/70/58/83/672705883.db2.gz OAKISMDVPCATSW-MRXNPFEDSA-N 2 2 372.579 1.581 20 30 FDEDLP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262021427 672713175 /nfs/dbraw/zinc/71/31/75/672713175.db2.gz YWPLUTVKIOXIFF-CVEARBPZSA-N 2 2 372.579 1.581 20 30 FDEDLP CC[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262021427 672713180 /nfs/dbraw/zinc/71/31/80/672713180.db2.gz YWPLUTVKIOXIFF-CVEARBPZSA-N 2 2 372.579 1.581 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)CC1 ZINC000328962080 676614011 /nfs/dbraw/zinc/61/40/11/676614011.db2.gz KZXMCYCHVDZHLE-KSZLIROESA-N 2 2 353.507 1.943 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)CC1 ZINC000328962080 676614013 /nfs/dbraw/zinc/61/40/13/676614013.db2.gz KZXMCYCHVDZHLE-KSZLIROESA-N 2 2 353.507 1.943 20 30 FDEDLP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000329805283 676657839 /nfs/dbraw/zinc/65/78/39/676657839.db2.gz MWQPEWBUWAWILW-WBVHZDCISA-N 3 2 351.539 1.531 20 30 FDEDLP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000329805283 676657841 /nfs/dbraw/zinc/65/78/41/676657841.db2.gz MWQPEWBUWAWILW-WBVHZDCISA-N 3 2 351.539 1.531 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376327845 678276063 /nfs/dbraw/zinc/27/60/63/678276063.db2.gz NAJOQXVPPVWCKV-FUHWJXTLSA-N 2 2 350.507 1.532 20 30 FDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104363843 777489597 /nfs/dbraw/zinc/48/95/97/777489597.db2.gz KQDCBEYUTVDYMC-FGTMMUONSA-N 2 2 360.502 1.722 20 30 FDEDLP CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893024799 792502877 /nfs/dbraw/zinc/50/28/77/792502877.db2.gz VZXWQTURZFFYMD-HNNXBMFYSA-N 2 2 361.515 1.930 20 30 FDEDLP CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893024799 792502884 /nfs/dbraw/zinc/50/28/84/792502884.db2.gz VZXWQTURZFFYMD-HNNXBMFYSA-N 2 2 361.515 1.930 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000377909902 793030863 /nfs/dbraw/zinc/03/08/63/793030863.db2.gz MFZVHTSJLKUPBL-FQEVSTJZSA-N 2 2 369.513 1.276 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000377909902 793030876 /nfs/dbraw/zinc/03/08/76/793030876.db2.gz MFZVHTSJLKUPBL-FQEVSTJZSA-N 2 2 369.513 1.276 20 30 FDEDLP CN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378135725 793550234 /nfs/dbraw/zinc/55/02/34/793550234.db2.gz DMEXDWYJDYOWSC-SFHVURJKSA-N 2 2 369.465 1.394 20 30 FDEDLP CN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378135725 793550239 /nfs/dbraw/zinc/55/02/39/793550239.db2.gz DMEXDWYJDYOWSC-SFHVURJKSA-N 2 2 369.465 1.394 20 30 FDEDLP C=CC[C@]1(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CCC[NH2+]1 ZINC000662796221 803290321 /nfs/dbraw/zinc/29/03/21/803290321.db2.gz JDDHAFBRLBEJJI-OAQYLSRUSA-N 2 2 373.497 1.917 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccccc3C#N)C2)O1 ZINC001027464517 804351041 /nfs/dbraw/zinc/35/10/41/804351041.db2.gz NLWBXTONQIIWRG-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccccc3C#N)C2)O1 ZINC001027464517 804351047 /nfs/dbraw/zinc/35/10/47/804351047.db2.gz NLWBXTONQIIWRG-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)O1 ZINC001027464517 804351057 /nfs/dbraw/zinc/35/10/57/804351057.db2.gz NLWBXTONQIIWRG-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)O1 ZINC001027464517 804351064 /nfs/dbraw/zinc/35/10/64/804351064.db2.gz NLWBXTONQIIWRG-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000424144688 815317745 /nfs/dbraw/zinc/31/77/45/815317745.db2.gz XUHHSFUNKOMDFE-QGZVFWFLSA-N 2 2 357.458 1.227 20 30 FDEDLP CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261983428 811360450 /nfs/dbraw/zinc/36/04/50/811360450.db2.gz PMWPULLFDMOXTJ-LSDHHAIUSA-N 2 2 356.478 1.469 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262020017 811368469 /nfs/dbraw/zinc/36/84/69/811368469.db2.gz YPJNSCSMFDSLJN-KBXCAEBGSA-N 3 2 367.501 1.723 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262020017 811368480 /nfs/dbraw/zinc/36/84/80/811368480.db2.gz YPJNSCSMFDSLJN-KBXCAEBGSA-N 3 2 367.501 1.723 20 30 FDEDLP C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262027175 811370857 /nfs/dbraw/zinc/37/08/57/811370857.db2.gz ZZTLGUZMPLEUCA-UKRRQHHQSA-N 2 2 360.422 1.146 20 30 FDEDLP C=C(Br)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629339 811665754 /nfs/dbraw/zinc/66/57/54/811665754.db2.gz JSMJZRRGAHVSTL-HZSPNIEDSA-N 2 2 360.296 1.052 20 30 FDEDLP C=C(Br)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629339 811665758 /nfs/dbraw/zinc/66/57/58/811665758.db2.gz JSMJZRRGAHVSTL-HZSPNIEDSA-N 2 2 360.296 1.052 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629339 811665761 /nfs/dbraw/zinc/66/57/61/811665761.db2.gz JSMJZRRGAHVSTL-HZSPNIEDSA-N 2 2 360.296 1.052 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629339 811665762 /nfs/dbraw/zinc/66/57/62/811665762.db2.gz JSMJZRRGAHVSTL-HZSPNIEDSA-N 2 2 360.296 1.052 20 30 FDEDLP Cn1ccnc1[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000328871271 819573245 /nfs/dbraw/zinc/57/32/45/819573245.db2.gz PYKPQESKYBFZJX-MRXNPFEDSA-N 2 2 374.533 1.682 20 30 FDEDLP CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000328918214 819592863 /nfs/dbraw/zinc/59/28/63/819592863.db2.gz ADURMVPBHGFBPF-SJORKVTESA-N 2 2 363.506 1.651 20 30 FDEDLP CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000328918214 819592872 /nfs/dbraw/zinc/59/28/72/819592872.db2.gz ADURMVPBHGFBPF-SJORKVTESA-N 2 2 363.506 1.651 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(OC)nc2)[C@@H]1CC ZINC001087607342 821716107 /nfs/dbraw/zinc/71/61/07/821716107.db2.gz YLBDVSNKDKTDRE-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OC)nc2)[C@@H]1CC ZINC001087607342 821716112 /nfs/dbraw/zinc/71/61/12/821716112.db2.gz YLBDVSNKDKTDRE-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(OC)nc2)[C@@H]1CC ZINC001087607342 821716118 /nfs/dbraw/zinc/71/61/18/821716118.db2.gz YLBDVSNKDKTDRE-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(OC)nc2)[C@@H]1CC ZINC001087607342 821716124 /nfs/dbraw/zinc/71/61/24/821716124.db2.gz YLBDVSNKDKTDRE-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329827195 825487928 /nfs/dbraw/zinc/48/79/28/825487928.db2.gz ISOKGWAOSYNFNE-GJZGRUSLSA-N 2 2 374.489 1.039 20 30 FDEDLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329827195 825487933 /nfs/dbraw/zinc/48/79/33/825487933.db2.gz ISOKGWAOSYNFNE-GJZGRUSLSA-N 2 2 374.489 1.039 20 30 FDEDLP [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329898677 825530287 /nfs/dbraw/zinc/53/02/87/825530287.db2.gz DYXQBVKMJLJMLO-USXIJHARSA-N 2 2 361.490 1.327 20 30 FDEDLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329898677 825530290 /nfs/dbraw/zinc/53/02/90/825530290.db2.gz DYXQBVKMJLJMLO-USXIJHARSA-N 2 2 361.490 1.327 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000451682658 830426659 /nfs/dbraw/zinc/42/66/59/830426659.db2.gz SALXDZYQEFYZJO-UXHICEINSA-N 2 2 357.498 1.962 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000455157303 835929159 /nfs/dbraw/zinc/92/91/59/835929159.db2.gz XZCUAIICENPUOR-GOSISDBHSA-N 2 2 351.454 1.908 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088658637 839461414 /nfs/dbraw/zinc/46/14/14/839461414.db2.gz MTTMSJZVAYJHSH-YAJHFMINSA-N 2 2 373.472 1.475 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088658637 839461422 /nfs/dbraw/zinc/46/14/22/839461422.db2.gz MTTMSJZVAYJHSH-YAJHFMINSA-N 2 2 373.472 1.475 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001088658637 839461429 /nfs/dbraw/zinc/46/14/29/839461429.db2.gz MTTMSJZVAYJHSH-YAJHFMINSA-N 2 2 373.472 1.475 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001088658637 839461433 /nfs/dbraw/zinc/46/14/33/839461433.db2.gz MTTMSJZVAYJHSH-YAJHFMINSA-N 2 2 373.472 1.475 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)C1=O ZINC001088663451 839506474 /nfs/dbraw/zinc/50/64/74/839506474.db2.gz BNNRUUXQLJTPNO-QIIPPGSGSA-N 2 2 367.453 1.542 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)C1=O ZINC001088663451 839506477 /nfs/dbraw/zinc/50/64/77/839506477.db2.gz BNNRUUXQLJTPNO-QIIPPGSGSA-N 2 2 367.453 1.542 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088750500 842900602 /nfs/dbraw/zinc/90/06/02/842900602.db2.gz PURDYXPIUYIEAZ-KDOFPFPSSA-N 2 2 355.417 1.982 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088750500 842900604 /nfs/dbraw/zinc/90/06/04/842900604.db2.gz PURDYXPIUYIEAZ-KDOFPFPSSA-N 2 2 355.417 1.982 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cc1F ZINC001076294366 847793434 /nfs/dbraw/zinc/79/34/34/847793434.db2.gz HJRORRDYPUAIAB-MAUKXSAKSA-N 2 2 353.401 1.696 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cc1F ZINC001076294366 847793437 /nfs/dbraw/zinc/79/34/37/847793437.db2.gz HJRORRDYPUAIAB-MAUKXSAKSA-N 2 2 353.401 1.696 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(CC)o4)C[C@H]32)CC1 ZINC001076604517 848553559 /nfs/dbraw/zinc/55/35/59/848553559.db2.gz JZYSCKCSRSSRCY-PKOBYXMFSA-N 2 2 370.497 1.615 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(CC)o4)C[C@H]32)CC1 ZINC001076604517 848553561 /nfs/dbraw/zinc/55/35/61/848553561.db2.gz JZYSCKCSRSSRCY-PKOBYXMFSA-N 2 2 370.497 1.615 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)c1 ZINC001083606952 853890573 /nfs/dbraw/zinc/89/05/73/853890573.db2.gz YCXGUVCRBADTTQ-MOPGFXCFSA-N 2 2 361.405 1.181 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)c1 ZINC001083606952 853890578 /nfs/dbraw/zinc/89/05/78/853890578.db2.gz YCXGUVCRBADTTQ-MOPGFXCFSA-N 2 2 361.405 1.181 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001033186671 881700728 /nfs/dbraw/zinc/70/07/28/881700728.db2.gz XZTKVGQBQUFUSY-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001033186671 881700740 /nfs/dbraw/zinc/70/07/40/881700740.db2.gz XZTKVGQBQUFUSY-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001033186671 881700751 /nfs/dbraw/zinc/70/07/51/881700751.db2.gz XZTKVGQBQUFUSY-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001033186671 881700768 /nfs/dbraw/zinc/70/07/68/881700768.db2.gz XZTKVGQBQUFUSY-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@@H]1n1ccnn1 ZINC001129052361 885578647 /nfs/dbraw/zinc/57/86/47/885578647.db2.gz CMWRTRBQSPAOFR-ITVKQWQRSA-N 2 2 370.501 1.074 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C\CC)C[C@@H]1n1ccnn1 ZINC001129052361 885578656 /nfs/dbraw/zinc/57/86/56/885578656.db2.gz CMWRTRBQSPAOFR-ITVKQWQRSA-N 2 2 370.501 1.074 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\CC)C[C@@H]1n1ccnn1 ZINC001129052361 885578669 /nfs/dbraw/zinc/57/86/69/885578669.db2.gz CMWRTRBQSPAOFR-ITVKQWQRSA-N 2 2 370.501 1.074 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\CC)C[C@@H]1n1ccnn1 ZINC001129052361 885578676 /nfs/dbraw/zinc/57/86/76/885578676.db2.gz CMWRTRBQSPAOFR-ITVKQWQRSA-N 2 2 370.501 1.074 20 30 FDEDLP C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000922025478 894535300 /nfs/dbraw/zinc/53/53/00/894535300.db2.gz MEPMVFNGFIHBMW-UHFFFAOYSA-N 2 2 361.511 1.393 20 30 FDEDLP C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000922025478 894535307 /nfs/dbraw/zinc/53/53/07/894535307.db2.gz MEPMVFNGFIHBMW-UHFFFAOYSA-N 2 2 361.511 1.393 20 30 FDEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263571 902306720 /nfs/dbraw/zinc/30/67/20/902306720.db2.gz BJLHCFVZSWIUCS-JKSUJKDBSA-N 2 2 364.877 1.644 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079494848 902712350 /nfs/dbraw/zinc/71/23/50/902712350.db2.gz PZHMPNKYGGDMDR-ZTFGCOKTSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079494848 902712354 /nfs/dbraw/zinc/71/23/54/902712354.db2.gz PZHMPNKYGGDMDR-ZTFGCOKTSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079494848 902712360 /nfs/dbraw/zinc/71/23/60/902712360.db2.gz PZHMPNKYGGDMDR-ZTFGCOKTSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079494848 902712366 /nfs/dbraw/zinc/71/23/66/902712366.db2.gz PZHMPNKYGGDMDR-ZTFGCOKTSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cc1C#N ZINC001079494677 902712529 /nfs/dbraw/zinc/71/25/29/902712529.db2.gz LFLOYWQZMXUILL-OLMNPRSZSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cc1C#N ZINC001079494677 902712536 /nfs/dbraw/zinc/71/25/36/902712536.db2.gz LFLOYWQZMXUILL-OLMNPRSZSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C#N ZINC001079494677 902712542 /nfs/dbraw/zinc/71/25/42/902712542.db2.gz LFLOYWQZMXUILL-OLMNPRSZSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C#N ZINC001079494677 902712547 /nfs/dbraw/zinc/71/25/47/902712547.db2.gz LFLOYWQZMXUILL-OLMNPRSZSA-N 2 2 356.470 1.598 20 30 FDEDLP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481191 905135182 /nfs/dbraw/zinc/13/51/82/905135182.db2.gz LRQJFXHOJXGHJK-YLJYHZDGSA-N 2 2 360.502 1.916 20 30 FDEDLP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481191 905135189 /nfs/dbraw/zinc/13/51/89/905135189.db2.gz LRQJFXHOJXGHJK-YLJYHZDGSA-N 2 2 360.502 1.916 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)C1=O ZINC001107588952 905798168 /nfs/dbraw/zinc/79/81/68/905798168.db2.gz WCABYMHXXXUWBK-RZQQEMMASA-N 2 2 371.485 1.100 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)C1=O ZINC001107588952 905798184 /nfs/dbraw/zinc/79/81/84/905798184.db2.gz WCABYMHXXXUWBK-RZQQEMMASA-N 2 2 371.485 1.100 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]2C)CC1 ZINC001080997934 906974349 /nfs/dbraw/zinc/97/43/49/906974349.db2.gz PMGQBSNDJSJQOH-OXQOHEQNSA-N 2 2 369.513 1.111 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc4n(n3)CCC4)C[C@H]2C)CC1 ZINC001080997934 906974351 /nfs/dbraw/zinc/97/43/51/906974351.db2.gz PMGQBSNDJSJQOH-OXQOHEQNSA-N 2 2 369.513 1.111 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082492223 908010999 /nfs/dbraw/zinc/01/09/99/908010999.db2.gz LLRKNNJNBKFOJN-CXAGYDPISA-N 2 2 355.417 1.990 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082604471 908926351 /nfs/dbraw/zinc/92/63/51/908926351.db2.gz RHSAJGAFJMFHHQ-ATZDWAIDSA-N 2 2 363.465 1.954 20 30 FDEDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)cc1C#N ZINC001082673296 909512124 /nfs/dbraw/zinc/51/21/24/909512124.db2.gz CTVRILOMENIBPQ-CRAIPNDOSA-N 2 2 367.453 1.790 20 30 FDEDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1C#N ZINC001082823211 910330649 /nfs/dbraw/zinc/33/06/49/910330649.db2.gz UDMYANHQRBAHAE-CZUORRHYSA-N 2 2 353.426 1.469 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]32)C1=O ZINC001084955166 918781083 /nfs/dbraw/zinc/78/10/83/918781083.db2.gz JJGWXFZITYOFEC-JQHSSLGASA-N 2 2 371.485 1.052 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]32)C1=O ZINC001084955166 918781095 /nfs/dbraw/zinc/78/10/95/918781095.db2.gz JJGWXFZITYOFEC-JQHSSLGASA-N 2 2 371.485 1.052 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]32)C1=O ZINC001084955166 918781105 /nfs/dbraw/zinc/78/11/05/918781105.db2.gz JJGWXFZITYOFEC-JQHSSLGASA-N 2 2 371.485 1.052 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]32)C1=O ZINC001084955166 918781114 /nfs/dbraw/zinc/78/11/14/918781114.db2.gz JJGWXFZITYOFEC-JQHSSLGASA-N 2 2 371.485 1.052 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109718374 930219454 /nfs/dbraw/zinc/21/94/54/930219454.db2.gz FGIVOXWWPFYBGN-FPAYPSAMSA-N 2 2 356.470 1.125 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109718374 930219460 /nfs/dbraw/zinc/21/94/60/930219460.db2.gz FGIVOXWWPFYBGN-FPAYPSAMSA-N 2 2 356.470 1.125 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109977552 930935950 /nfs/dbraw/zinc/93/59/50/930935950.db2.gz ONNJNEKIWHQBQD-NEWSRXKRSA-N 2 2 374.460 1.497 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109977552 930935955 /nfs/dbraw/zinc/93/59/55/930935955.db2.gz ONNJNEKIWHQBQD-NEWSRXKRSA-N 2 2 374.460 1.497 20 30 FDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001112582867 931750607 /nfs/dbraw/zinc/75/06/07/931750607.db2.gz SFPBVFIYSRJXPD-ZJOUEHCJSA-N 2 2 359.514 1.339 20 30 FDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1cccnc1)[NH+](C)C)C2 ZINC001112586499 931776860 /nfs/dbraw/zinc/77/68/60/931776860.db2.gz CJGUKOGZPIOYAW-ZJOUEHCJSA-N 2 2 354.498 1.926 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129918928 938567578 /nfs/dbraw/zinc/56/75/78/938567578.db2.gz MHIWSBJVHCTZOD-NXHRZFHOSA-N 2 2 369.473 1.045 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130616943 939928253 /nfs/dbraw/zinc/92/82/53/939928253.db2.gz LBCZXLMCNCAYSF-HNAYVOBHSA-N 2 2 362.437 1.518 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001130672290 939971163 /nfs/dbraw/zinc/97/11/63/939971163.db2.gz LJIAKXCZRSQTFC-RVKKMQEKSA-N 2 2 366.469 1.171 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC1 ZINC000808086422 940517735 /nfs/dbraw/zinc/51/77/35/940517735.db2.gz BZDWQRPYAUJFDH-UHFFFAOYSA-N 2 2 360.527 1.953 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001086720966 941621161 /nfs/dbraw/zinc/62/11/61/941621161.db2.gz XZHDMSFIHUOFOT-UAGQMJEPSA-N 2 2 371.485 1.419 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001086720966 941621167 /nfs/dbraw/zinc/62/11/67/941621167.db2.gz XZHDMSFIHUOFOT-UAGQMJEPSA-N 2 2 371.485 1.419 20 30 FDEDLP C=CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775659251 970982154 /nfs/dbraw/zinc/98/21/54/970982154.db2.gz HIZYXCLBJBCOKO-IBGZPJMESA-N 2 2 363.527 1.614 20 30 FDEDLP C=CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775659251 970982156 /nfs/dbraw/zinc/98/21/56/970982156.db2.gz HIZYXCLBJBCOKO-IBGZPJMESA-N 2 2 363.527 1.614 20 30 FDEDLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[NH+](CC)CC ZINC001196115492 971486447 /nfs/dbraw/zinc/48/64/47/971486447.db2.gz PDDBVIQZDNPCNM-HSALFYBXSA-N 2 2 357.498 1.320 20 30 FDEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[NH+](CC)CC ZINC001196115492 971486450 /nfs/dbraw/zinc/48/64/50/971486450.db2.gz PDDBVIQZDNPCNM-HSALFYBXSA-N 2 2 357.498 1.320 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001094581728 960878444 /nfs/dbraw/zinc/87/84/44/960878444.db2.gz DWXNUISICLXBMX-JFIYKMOQSA-N 2 2 355.910 1.820 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001094581728 960878463 /nfs/dbraw/zinc/87/84/63/960878463.db2.gz DWXNUISICLXBMX-JFIYKMOQSA-N 2 2 355.910 1.820 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094581728 960878480 /nfs/dbraw/zinc/87/84/80/960878480.db2.gz DWXNUISICLXBMX-JFIYKMOQSA-N 2 2 355.910 1.820 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094581728 960878492 /nfs/dbraw/zinc/87/84/92/960878492.db2.gz DWXNUISICLXBMX-JFIYKMOQSA-N 2 2 355.910 1.820 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)C1 ZINC001095264206 962708981 /nfs/dbraw/zinc/70/89/81/962708981.db2.gz CEPRSZRCMIXPRZ-XWSJACJDSA-N 2 2 354.454 1.110 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)C1 ZINC001095264206 962708993 /nfs/dbraw/zinc/70/89/93/962708993.db2.gz CEPRSZRCMIXPRZ-XWSJACJDSA-N 2 2 354.454 1.110 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001095264206 962709009 /nfs/dbraw/zinc/70/90/09/962709009.db2.gz CEPRSZRCMIXPRZ-XWSJACJDSA-N 2 2 354.454 1.110 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001095264206 962709016 /nfs/dbraw/zinc/70/90/16/962709016.db2.gz CEPRSZRCMIXPRZ-XWSJACJDSA-N 2 2 354.454 1.110 20 30 FDEDLP C=C(C[NH+]1CCCC1)C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001183043735 962756615 /nfs/dbraw/zinc/75/66/15/962756615.db2.gz XMMUXDBTGLMKCH-SFHVURJKSA-N 2 2 358.486 1.920 20 30 FDEDLP COC(=O)[C@H](CS)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198031477 972709517 /nfs/dbraw/zinc/70/95/17/972709517.db2.gz VPKSKJZKCXMAJA-INIZCTEOSA-N 2 2 367.515 1.271 20 30 FDEDLP COC(=O)[C@H](CS)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198031477 972709522 /nfs/dbraw/zinc/70/95/22/972709522.db2.gz VPKSKJZKCXMAJA-INIZCTEOSA-N 2 2 367.515 1.271 20 30 FDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCO1 ZINC001200529708 974810206 /nfs/dbraw/zinc/81/02/06/974810206.db2.gz XPOGZXFOTSDXKR-FGTMMUONSA-N 2 2 358.486 1.547 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000866668601 975891138 /nfs/dbraw/zinc/89/11/38/975891138.db2.gz SPAOQYBFBFNDJY-MOPGFXCFSA-N 2 2 357.454 1.863 20 30 FDEDLP C[NH+]1CCN(c2ccc(-c3noc([C@H]([NH3+])CCCCC#N)n3)cn2)CC1 ZINC000848624897 976960146 /nfs/dbraw/zinc/96/01/46/976960146.db2.gz PRYPECNDDQQJOS-OAHLLOKOSA-N 2 2 355.446 1.967 20 30 FDEDLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984366 977168922 /nfs/dbraw/zinc/16/89/22/977168922.db2.gz WCNYKAXWVLJUQV-XTDOFWJNSA-N 2 2 356.470 1.359 20 30 FDEDLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984366 977168931 /nfs/dbraw/zinc/16/89/31/977168931.db2.gz WCNYKAXWVLJUQV-XTDOFWJNSA-N 2 2 356.470 1.359 20 30 FDEDLP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984365 977169052 /nfs/dbraw/zinc/16/90/52/977169052.db2.gz WCNYKAXWVLJUQV-CUYVQJCZSA-N 2 2 356.470 1.359 20 30 FDEDLP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984365 977169062 /nfs/dbraw/zinc/16/90/62/977169062.db2.gz WCNYKAXWVLJUQV-CUYVQJCZSA-N 2 2 356.470 1.359 20 30 FDEDLP CN(C)C(NCc1ccccc1)=[NH+]CC1([NH+]2CCOCC2)CCOCC1 ZINC000849116878 977329595 /nfs/dbraw/zinc/32/95/95/977329595.db2.gz ZOHQQOJFSTVKIC-UHFFFAOYSA-N 2 2 360.502 1.575 20 30 FDEDLP C#CCC1(O)CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000883249069 982031432 /nfs/dbraw/zinc/03/14/32/982031432.db2.gz ROADQIUXUGAVPG-UHFFFAOYSA-N 2 2 362.518 1.105 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000884177938 982949972 /nfs/dbraw/zinc/94/99/72/982949972.db2.gz XNSCUUPZERFNSM-LSNYBQGISA-N 2 2 368.481 1.143 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000884177938 982949979 /nfs/dbraw/zinc/94/99/79/982949979.db2.gz XNSCUUPZERFNSM-LSNYBQGISA-N 2 2 368.481 1.143 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000884205292 982980604 /nfs/dbraw/zinc/98/06/04/982980604.db2.gz RNMKXPZUUBZYEO-ZACQAIPSSA-N 2 2 351.491 1.546 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000884205292 982980608 /nfs/dbraw/zinc/98/06/08/982980608.db2.gz RNMKXPZUUBZYEO-ZACQAIPSSA-N 2 2 351.491 1.546 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000884223370 982997140 /nfs/dbraw/zinc/99/71/40/982997140.db2.gz OYKFPPJDRHILDW-NUJGCVRESA-N 2 2 373.497 1.706 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000884223986 982998007 /nfs/dbraw/zinc/99/80/07/982998007.db2.gz DLIBECKWZONALR-INIZCTEOSA-N 2 2 358.442 1.588 20 30 FDEDLP C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364735851 989750652 /nfs/dbraw/zinc/75/06/52/989750652.db2.gz GJOXGRRCTZYAES-LJQANCHMSA-N 2 2 368.481 1.233 20 30 FDEDLP C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364735851 989750657 /nfs/dbraw/zinc/75/06/57/989750657.db2.gz GJOXGRRCTZYAES-LJQANCHMSA-N 2 2 368.481 1.233 20 30 FDEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000371664236 990608406 /nfs/dbraw/zinc/60/84/06/990608406.db2.gz QSPADRMOBZGSHY-HXUWFJFHSA-N 2 2 372.513 1.865 20 30 FDEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371664430 990609449 /nfs/dbraw/zinc/60/94/49/990609449.db2.gz SZRXNGPLIBSBPK-FQEVSTJZSA-N 2 2 357.498 1.585 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(C)c1 ZINC001095556516 993446757 /nfs/dbraw/zinc/44/67/57/993446757.db2.gz WDEJXSXGRJEZGT-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(C)c1 ZINC001095556516 993446763 /nfs/dbraw/zinc/44/67/63/993446763.db2.gz WDEJXSXGRJEZGT-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cncc(C)c1 ZINC001095556516 993446774 /nfs/dbraw/zinc/44/67/74/993446774.db2.gz WDEJXSXGRJEZGT-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cncc(C)c1 ZINC001095556516 993446783 /nfs/dbraw/zinc/44/67/83/993446783.db2.gz WDEJXSXGRJEZGT-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCc2cccc(C#N)c2)C1 ZINC000879434176 994910395 /nfs/dbraw/zinc/91/03/95/994910395.db2.gz DRKQDHNQQDXZQC-FQEVSTJZSA-N 2 2 372.513 1.506 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCc2cccc(C#N)c2)C1 ZINC000879434176 994910405 /nfs/dbraw/zinc/91/04/05/994910405.db2.gz DRKQDHNQQDXZQC-FQEVSTJZSA-N 2 2 372.513 1.506 20 30 FDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CCc2cccc(C#N)c2)C1 ZINC000879434176 994910414 /nfs/dbraw/zinc/91/04/14/994910414.db2.gz DRKQDHNQQDXZQC-FQEVSTJZSA-N 2 2 372.513 1.506 20 30 FDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCc2cccc(C#N)c2)C1 ZINC000879434176 994910425 /nfs/dbraw/zinc/91/04/25/994910425.db2.gz DRKQDHNQQDXZQC-FQEVSTJZSA-N 2 2 372.513 1.506 20 30 FDEDLP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000264084690 997399483 /nfs/dbraw/zinc/39/94/83/997399483.db2.gz IVELHLMETWSRNH-KRWDZBQOSA-N 3 2 359.518 1.060 20 30 FDEDLP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000264084690 997399489 /nfs/dbraw/zinc/39/94/89/997399489.db2.gz IVELHLMETWSRNH-KRWDZBQOSA-N 3 2 359.518 1.060 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000284147505 999778235 /nfs/dbraw/zinc/77/82/35/999778235.db2.gz YVFWZVDCYBWBBU-IRXDYDNUSA-N 2 2 361.490 1.203 20 30 FDEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000929847390 1002515033 /nfs/dbraw/zinc/51/50/33/1002515033.db2.gz IHVOMWPKONRDHM-IBGZPJMESA-N 2 2 368.481 1.235 20 30 FDEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000929847390 1002515043 /nfs/dbraw/zinc/51/50/43/1002515043.db2.gz IHVOMWPKONRDHM-IBGZPJMESA-N 2 2 368.481 1.235 20 30 FDEDLP C#CC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000931141996 1003920949 /nfs/dbraw/zinc/92/09/49/1003920949.db2.gz LBEMFDITBXRHNU-UHFFFAOYSA-N 2 2 355.482 1.099 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)cc1 ZINC001111152577 1006483088 /nfs/dbraw/zinc/48/30/88/1006483088.db2.gz ZOSZJLVQPVAKNY-AQNXPRMDSA-N 2 2 368.481 1.502 20 30 FDEDLP Cn1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1C#N ZINC000190877722 178030276 /nfs/dbraw/zinc/03/02/76/178030276.db2.gz PQCXYCYSQBTSKP-UHFFFAOYSA-N 2 2 354.454 1.898 20 30 FDEDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000528729792 539779974 /nfs/dbraw/zinc/77/99/74/539779974.db2.gz JNQDOOIRMBOTOK-IBGZPJMESA-N 2 2 373.497 1.679 20 30 FDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C2 ZINC000550977911 543209778 /nfs/dbraw/zinc/20/97/78/543209778.db2.gz KSODUTSBWCRJLU-YTQUADARSA-N 2 2 366.469 1.021 20 30 FDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C2 ZINC000550977911 543209781 /nfs/dbraw/zinc/20/97/81/543209781.db2.gz KSODUTSBWCRJLU-YTQUADARSA-N 2 2 366.469 1.021 20 30 FDEDLP Cc1ccc(C#N)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000181061940 174205238 /nfs/dbraw/zinc/20/52/38/174205238.db2.gz LYKIXCXRQGPRMO-UHFFFAOYSA-N 2 2 364.515 1.513 20 30 FDEDLP Cc1ccc(C#N)cc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000181061940 174205239 /nfs/dbraw/zinc/20/52/39/174205239.db2.gz LYKIXCXRQGPRMO-UHFFFAOYSA-N 2 2 364.515 1.513 20 30 FDEDLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccc(C#N)s1 ZINC000378573419 262046813 /nfs/dbraw/zinc/04/68/13/262046813.db2.gz ZESIICOFXMSJAG-GOEBONIOSA-N 2 2 362.499 1.594 20 30 FDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047028133 522427003 /nfs/dbraw/zinc/42/70/03/522427003.db2.gz VONRKVSFLOJENK-MRXNPFEDSA-N 2 2 354.458 1.917 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CCN(c2ccccc2)CC1 ZINC000088200146 524434484 /nfs/dbraw/zinc/43/44/84/524434484.db2.gz SYDORWHPYXRQKJ-UHFFFAOYSA-N 2 2 369.517 1.820 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000174769644 524730288 /nfs/dbraw/zinc/73/02/88/524730288.db2.gz ADFRTUFZZCXKNH-SFHVURJKSA-N 2 2 350.507 1.533 20 30 FDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000091622711 524744039 /nfs/dbraw/zinc/74/40/39/524744039.db2.gz BQUASDJXLOBPEX-QYZOEREBSA-N 2 2 363.550 1.341 20 30 FDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000091622711 524744049 /nfs/dbraw/zinc/74/40/49/524744049.db2.gz BQUASDJXLOBPEX-QYZOEREBSA-N 2 2 363.550 1.341 20 30 FDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000091622711 524744061 /nfs/dbraw/zinc/74/40/61/524744061.db2.gz BQUASDJXLOBPEX-QYZOEREBSA-N 2 2 363.550 1.341 20 30 FDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000091622711 524744069 /nfs/dbraw/zinc/74/40/69/524744069.db2.gz BQUASDJXLOBPEX-QYZOEREBSA-N 2 2 363.550 1.341 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174883836 524777027 /nfs/dbraw/zinc/77/70/27/524777027.db2.gz WSZKQWGBBHFNQH-HKUYNNGSSA-N 2 2 369.513 1.987 20 30 FDEDLP C#CCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000127358072 525411819 /nfs/dbraw/zinc/41/18/19/525411819.db2.gz BMKDEDPPFNOFPG-UHFFFAOYSA-N 2 2 368.525 1.280 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000131564793 525874375 /nfs/dbraw/zinc/87/43/75/525874375.db2.gz JIPYIMBFLNXLCM-MOPGFXCFSA-N 2 2 359.470 1.146 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000131564793 525874381 /nfs/dbraw/zinc/87/43/81/525874381.db2.gz JIPYIMBFLNXLCM-MOPGFXCFSA-N 2 2 359.470 1.146 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CC1 ZINC000171907808 526178798 /nfs/dbraw/zinc/17/87/98/526178798.db2.gz MQLNRKKRKZINQX-UHFFFAOYSA-N 2 2 363.531 1.929 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000298711330 537281536 /nfs/dbraw/zinc/28/15/36/537281536.db2.gz HQRRGCPTPSWIIH-INIZCTEOSA-N 2 2 356.470 1.929 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274850737 537534066 /nfs/dbraw/zinc/53/40/66/537534066.db2.gz QWCOQUAIVAKXKM-XYJFISCASA-N 2 2 358.486 1.887 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274850737 537534069 /nfs/dbraw/zinc/53/40/69/537534069.db2.gz QWCOQUAIVAKXKM-XYJFISCASA-N 2 2 358.486 1.887 20 30 FDEDLP CC(C)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCN(C)CC1 ZINC000304511183 537598683 /nfs/dbraw/zinc/59/86/83/537598683.db2.gz WYZIHIQMFJARHI-ROUUACIJSA-N 2 2 359.518 1.687 20 30 FDEDLP C[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(=O)N1CCCCC1 ZINC000329164885 537635151 /nfs/dbraw/zinc/63/51/51/537635151.db2.gz HGGHUFIYIHBPFT-PMRDEQMMSA-N 2 2 350.507 1.901 20 30 FDEDLP C[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(=O)N1CCCCC1 ZINC000329164885 537635153 /nfs/dbraw/zinc/63/51/53/537635153.db2.gz HGGHUFIYIHBPFT-PMRDEQMMSA-N 2 2 350.507 1.901 20 30 FDEDLP C[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N1CCCCC1 ZINC000329164885 537635157 /nfs/dbraw/zinc/63/51/57/537635157.db2.gz HGGHUFIYIHBPFT-PMRDEQMMSA-N 2 2 350.507 1.901 20 30 FDEDLP C[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)N1CCCCC1 ZINC000329164885 537635159 /nfs/dbraw/zinc/63/51/59/537635159.db2.gz HGGHUFIYIHBPFT-PMRDEQMMSA-N 2 2 350.507 1.901 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330005561 537649148 /nfs/dbraw/zinc/64/91/48/537649148.db2.gz CAMKVFUCPCZSLN-UHFFFAOYSA-N 2 2 360.462 1.638 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330005561 537649150 /nfs/dbraw/zinc/64/91/50/537649150.db2.gz CAMKVFUCPCZSLN-UHFFFAOYSA-N 2 2 360.462 1.638 20 30 FDEDLP Cc1oc(NC(=O)CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000371260715 537792945 /nfs/dbraw/zinc/79/29/45/537792945.db2.gz QDMJYZNECWMWMA-KRWDZBQOSA-N 2 2 373.501 1.807 20 30 FDEDLP Cc1oc(NC(=O)CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000371260715 537792951 /nfs/dbraw/zinc/79/29/51/537792951.db2.gz QDMJYZNECWMWMA-KRWDZBQOSA-N 2 2 373.501 1.807 20 30 FDEDLP Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000371260715 537792958 /nfs/dbraw/zinc/79/29/58/537792958.db2.gz QDMJYZNECWMWMA-KRWDZBQOSA-N 2 2 373.501 1.807 20 30 FDEDLP Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000371260715 537792965 /nfs/dbraw/zinc/79/29/65/537792965.db2.gz QDMJYZNECWMWMA-KRWDZBQOSA-N 2 2 373.501 1.807 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371265891 537796193 /nfs/dbraw/zinc/79/61/93/537796193.db2.gz GLFVZZMUYDFQFE-ZWKOTPCHSA-N 2 2 369.513 1.845 20 30 FDEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372533385 537971521 /nfs/dbraw/zinc/97/15/21/537971521.db2.gz RRVWNPDEWPDRSG-JENIJYKNSA-N 2 2 374.533 1.885 20 30 FDEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372533385 537971526 /nfs/dbraw/zinc/97/15/26/537971526.db2.gz RRVWNPDEWPDRSG-JENIJYKNSA-N 2 2 374.533 1.885 20 30 FDEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372533385 537971528 /nfs/dbraw/zinc/97/15/28/537971528.db2.gz RRVWNPDEWPDRSG-JENIJYKNSA-N 2 2 374.533 1.885 20 30 FDEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372533385 537971533 /nfs/dbraw/zinc/97/15/33/537971533.db2.gz RRVWNPDEWPDRSG-JENIJYKNSA-N 2 2 374.533 1.885 20 30 FDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000568753335 548666064 /nfs/dbraw/zinc/66/60/64/548666064.db2.gz OLDIYMBUMBVTJW-MAUKXSAKSA-N 2 2 357.458 1.924 20 30 FDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000568753335 548666068 /nfs/dbraw/zinc/66/60/68/548666068.db2.gz OLDIYMBUMBVTJW-MAUKXSAKSA-N 2 2 357.458 1.924 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(CC#N)cc1 ZINC000574317791 550295157 /nfs/dbraw/zinc/29/51/57/550295157.db2.gz ZDPPHZHAAMMSEV-UHFFFAOYSA-N 2 2 357.502 1.920 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(CC#N)cc1 ZINC000574317791 550295159 /nfs/dbraw/zinc/29/51/59/550295159.db2.gz ZDPPHZHAAMMSEV-UHFFFAOYSA-N 2 2 357.502 1.920 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4nnnn4CC3)CC2)cc1 ZINC000574868364 550383820 /nfs/dbraw/zinc/38/38/20/550383820.db2.gz YOBHIOOPKJRUJI-QGZVFWFLSA-N 2 2 351.458 1.504 20 30 FDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000584582476 551522027 /nfs/dbraw/zinc/52/20/27/551522027.db2.gz PFSDQCDCQBGMFC-ZIFCJYIRSA-N 2 2 361.486 1.581 20 30 FDEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000584582476 551522029 /nfs/dbraw/zinc/52/20/29/551522029.db2.gz PFSDQCDCQBGMFC-ZIFCJYIRSA-N 2 2 361.486 1.581 20 30 FDEDLP CN(C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1(C#N)CCCCC1 ZINC000595904773 552631447 /nfs/dbraw/zinc/63/14/47/552631447.db2.gz KRHPDNUGVZGAAA-KRWDZBQOSA-N 2 2 350.507 1.714 20 30 FDEDLP CN(C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1(C#N)CCCCC1 ZINC000595904773 552631448 /nfs/dbraw/zinc/63/14/48/552631448.db2.gz KRHPDNUGVZGAAA-KRWDZBQOSA-N 2 2 350.507 1.714 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597226826 552763196 /nfs/dbraw/zinc/76/31/96/552763196.db2.gz NPTBDYPHEZQHLL-UHFFFAOYSA-N 2 2 350.413 1.934 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597226826 552763197 /nfs/dbraw/zinc/76/31/97/552763197.db2.gz NPTBDYPHEZQHLL-UHFFFAOYSA-N 2 2 350.413 1.934 20 30 FDEDLP C[C@H](CCC#N)C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000602544441 553603347 /nfs/dbraw/zinc/60/33/47/553603347.db2.gz BBYRZUFHFJZSEX-MRXNPFEDSA-N 2 2 364.515 1.652 20 30 FDEDLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncc1C#N ZINC000603110799 553710594 /nfs/dbraw/zinc/71/05/94/553710594.db2.gz CIUACFMHAZSKHJ-UHFFFAOYSA-N 2 2 356.474 1.942 20 30 FDEDLP Cc1nc(N2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)cc[nH+]1 ZINC000612744524 554834837 /nfs/dbraw/zinc/83/48/37/554834837.db2.gz DSZUUEPMZKQRFE-SFHVURJKSA-N 2 2 367.453 1.413 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000248510948 672535133 /nfs/dbraw/zinc/53/51/33/672535133.db2.gz ARFCKCROCUXVME-HZPDHXFCSA-N 2 2 366.531 1.546 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000248510948 672535139 /nfs/dbraw/zinc/53/51/39/672535139.db2.gz ARFCKCROCUXVME-HZPDHXFCSA-N 2 2 366.531 1.546 20 30 FDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1cc(Br)cn1C ZINC000261818886 672677533 /nfs/dbraw/zinc/67/75/33/672677533.db2.gz UGRXILMFJXLXBP-UHFFFAOYSA-N 2 2 353.268 1.692 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261944420 672698567 /nfs/dbraw/zinc/69/85/67/672698567.db2.gz FKBXJXPMXJLUJQ-GJZGRUSLSA-N 2 2 358.552 1.334 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261944420 672698571 /nfs/dbraw/zinc/69/85/71/672698571.db2.gz FKBXJXPMXJLUJQ-GJZGRUSLSA-N 2 2 358.552 1.334 20 30 FDEDLP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262943935 672855601 /nfs/dbraw/zinc/85/56/01/672855601.db2.gz AJGXKBFBDXHMQV-KRWDZBQOSA-N 3 2 351.539 1.138 20 30 FDEDLP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262943935 672855610 /nfs/dbraw/zinc/85/56/10/672855610.db2.gz AJGXKBFBDXHMQV-KRWDZBQOSA-N 3 2 351.539 1.138 20 30 FDEDLP C=CCC[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000458484107 684272863 /nfs/dbraw/zinc/27/28/63/684272863.db2.gz UKFHLHZZHBZAFY-KRWDZBQOSA-N 2 2 352.523 1.563 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001022734462 782769063 /nfs/dbraw/zinc/76/90/63/782769063.db2.gz YPHXDYJACJCANP-YYIAUSFCSA-N 2 2 367.428 1.971 20 30 FDEDLP CN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378135724 793550590 /nfs/dbraw/zinc/55/05/90/793550590.db2.gz DMEXDWYJDYOWSC-GOSISDBHSA-N 2 2 369.465 1.394 20 30 FDEDLP CN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378135724 793550593 /nfs/dbraw/zinc/55/05/93/793550593.db2.gz DMEXDWYJDYOWSC-GOSISDBHSA-N 2 2 369.465 1.394 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083129026 806529653 /nfs/dbraw/zinc/52/96/53/806529653.db2.gz TZHPPPFWRUPAPO-QGZVFWFLSA-N 3 2 363.550 1.423 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083129026 806529660 /nfs/dbraw/zinc/52/96/60/806529660.db2.gz TZHPPPFWRUPAPO-QGZVFWFLSA-N 3 2 363.550 1.423 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CC#Cc2ccccc2)O1 ZINC001027966089 807134577 /nfs/dbraw/zinc/13/45/77/807134577.db2.gz KJHDFXWOYRSJOR-MISYRCLQSA-N 2 2 355.482 1.338 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CC#Cc2ccccc2)O1 ZINC001027966089 807134579 /nfs/dbraw/zinc/13/45/79/807134579.db2.gz KJHDFXWOYRSJOR-MISYRCLQSA-N 2 2 355.482 1.338 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)O1 ZINC001027966089 807134584 /nfs/dbraw/zinc/13/45/84/807134584.db2.gz KJHDFXWOYRSJOR-MISYRCLQSA-N 2 2 355.482 1.338 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2)O1 ZINC001027966089 807134591 /nfs/dbraw/zinc/13/45/91/807134591.db2.gz KJHDFXWOYRSJOR-MISYRCLQSA-N 2 2 355.482 1.338 20 30 FDEDLP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1C ZINC000261955843 811352497 /nfs/dbraw/zinc/35/24/97/811352497.db2.gz ISAJHVLCKKFTLK-BBRMVZONSA-N 2 2 356.478 1.511 20 30 FDEDLP N#Cc1ccc(N[C@H]2CCn3cc[nH+]c3C2)nc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000436324843 816425286 /nfs/dbraw/zinc/42/52/86/816425286.db2.gz YAMFOFHTPBAGJS-HOTGVXAUSA-N 2 2 374.452 2.200 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087476754 818390052 /nfs/dbraw/zinc/39/00/52/818390052.db2.gz CWNHDMPCDGCJPO-PMACEKPBSA-N 2 2 366.465 1.889 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087476754 818390058 /nfs/dbraw/zinc/39/00/58/818390058.db2.gz CWNHDMPCDGCJPO-PMACEKPBSA-N 2 2 366.465 1.889 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088126354 826528846 /nfs/dbraw/zinc/52/88/46/826528846.db2.gz AARPZSKKERVWDX-MOPGFXCFSA-N 2 2 361.530 1.988 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088126354 826528849 /nfs/dbraw/zinc/52/88/49/826528849.db2.gz AARPZSKKERVWDX-MOPGFXCFSA-N 2 2 361.530 1.988 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571809 834849655 /nfs/dbraw/zinc/84/96/55/834849655.db2.gz OGEQWMYFNITYKI-SNPRPXQTSA-N 2 2 356.308 1.816 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571809 834849669 /nfs/dbraw/zinc/84/96/69/834849669.db2.gz OGEQWMYFNITYKI-SNPRPXQTSA-N 2 2 356.308 1.816 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000532986680 835606051 /nfs/dbraw/zinc/60/60/51/835606051.db2.gz UDYQOAYIBAENLL-MOPGFXCFSA-N 2 2 355.486 1.185 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000532986680 835606078 /nfs/dbraw/zinc/60/60/78/835606078.db2.gz UDYQOAYIBAENLL-MOPGFXCFSA-N 2 2 355.486 1.185 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105669643 844260321 /nfs/dbraw/zinc/26/03/21/844260321.db2.gz UCDMMNKTARQIDO-LFGUQSLTSA-N 2 2 358.486 1.250 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105622910 842249810 /nfs/dbraw/zinc/24/98/10/842249810.db2.gz JXZHGDQSELOEKL-SMOSDQRPSA-N 2 2 358.486 1.332 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105648100 842415881 /nfs/dbraw/zinc/41/58/81/842415881.db2.gz WTJLUUWJRCFCGR-LFGUQSLTSA-N 2 2 358.486 1.263 20 30 FDEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083505563 844922853 /nfs/dbraw/zinc/92/28/53/844922853.db2.gz SWJCJCJSRUHAHT-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083505563 844922855 /nfs/dbraw/zinc/92/28/55/844922855.db2.gz SWJCJCJSRUHAHT-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083505563 844922859 /nfs/dbraw/zinc/92/28/59/844922859.db2.gz SWJCJCJSRUHAHT-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083505563 844922864 /nfs/dbraw/zinc/92/28/64/844922864.db2.gz SWJCJCJSRUHAHT-QRVBRYPASA-N 2 2 356.470 1.094 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673696 845414133 /nfs/dbraw/zinc/41/41/33/845414133.db2.gz OEMIMBJVJBFWOO-HNBVOPMISA-N 2 2 360.502 1.815 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4nnc(C)o4)C[C@H]32)CC1 ZINC001076605893 848557079 /nfs/dbraw/zinc/55/70/79/848557079.db2.gz YKUZSLCCIOUUSX-FHLIZLRMSA-N 2 2 371.485 1.317 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4nnc(C)o4)C[C@H]32)CC1 ZINC001076605893 848557086 /nfs/dbraw/zinc/55/70/86/848557086.db2.gz YKUZSLCCIOUUSX-FHLIZLRMSA-N 2 2 371.485 1.317 20 30 FDEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077090944 849723934 /nfs/dbraw/zinc/72/39/34/849723934.db2.gz GEKLFZQAWBWCQR-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077090944 849723937 /nfs/dbraw/zinc/72/39/37/849723937.db2.gz GEKLFZQAWBWCQR-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077090944 849723945 /nfs/dbraw/zinc/72/39/45/849723945.db2.gz GEKLFZQAWBWCQR-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077090944 849723947 /nfs/dbraw/zinc/72/39/47/849723947.db2.gz GEKLFZQAWBWCQR-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001106491642 875686856 /nfs/dbraw/zinc/68/68/56/875686856.db2.gz QFFDHRFAZNJHDH-IEBWSBKVSA-N 2 2 366.465 1.820 20 30 FDEDLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083733586 876341485 /nfs/dbraw/zinc/34/14/85/876341485.db2.gz UVVYTAMFYREDCM-MSOLQXFVSA-N 2 2 368.437 1.188 20 30 FDEDLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083733586 876341502 /nfs/dbraw/zinc/34/15/02/876341502.db2.gz UVVYTAMFYREDCM-MSOLQXFVSA-N 2 2 368.437 1.188 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ncn(C(C)(C)C)n3)CC2)CC1 ZINC000328616924 887593227 /nfs/dbraw/zinc/59/32/27/887593227.db2.gz SXVGEAUCPRMJGU-UHFFFAOYSA-N 2 2 363.510 1.918 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079202444 902103344 /nfs/dbraw/zinc/10/33/44/902103344.db2.gz XFDALXZRLKZORF-ZOCIIQOWSA-N 2 2 354.429 1.945 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079246217 902256981 /nfs/dbraw/zinc/25/69/81/902256981.db2.gz WLKDFLZFALSOMP-XLMAVXFVSA-N 2 2 356.470 1.639 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079246217 902256990 /nfs/dbraw/zinc/25/69/90/902256990.db2.gz WLKDFLZFALSOMP-XLMAVXFVSA-N 2 2 356.470 1.639 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]3COC[C@@H]32)CC1 ZINC001079260549 902297198 /nfs/dbraw/zinc/29/71/98/902297198.db2.gz BMGBQBCGGCYNRP-XYJFISCASA-N 2 2 370.497 1.955 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]3COC[C@@H]32)CC1 ZINC001079260548 902297837 /nfs/dbraw/zinc/29/78/37/902297837.db2.gz BMGBQBCGGCYNRP-SOLBZPMBSA-N 2 2 370.497 1.955 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177769 904840301 /nfs/dbraw/zinc/84/03/01/904840301.db2.gz ZQRCREWIVYBBSH-MKXGPGLRSA-N 2 2 365.518 1.269 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177769 904840314 /nfs/dbraw/zinc/84/03/14/904840314.db2.gz ZQRCREWIVYBBSH-MKXGPGLRSA-N 2 2 365.518 1.269 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1C#N ZINC001081036069 907003461 /nfs/dbraw/zinc/00/34/61/907003461.db2.gz LKIIKHKVVMKPRJ-RHSMWYFYSA-N 2 2 353.426 1.400 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1C#N ZINC001081036069 907003476 /nfs/dbraw/zinc/00/34/76/907003476.db2.gz LKIIKHKVVMKPRJ-RHSMWYFYSA-N 2 2 353.426 1.400 20 30 FDEDLP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC000997842177 909808468 /nfs/dbraw/zinc/80/84/68/909808468.db2.gz WVRRSGSMLCZFIY-BRWVUGGUSA-N 2 2 371.485 1.128 20 30 FDEDLP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC000997842177 909808484 /nfs/dbraw/zinc/80/84/84/909808484.db2.gz WVRRSGSMLCZFIY-BRWVUGGUSA-N 2 2 371.485 1.128 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000730106081 916095314 /nfs/dbraw/zinc/09/53/14/916095314.db2.gz WKELXLOCPAHRCQ-FQEVSTJZSA-N 2 2 354.498 1.018 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000730106081 916095329 /nfs/dbraw/zinc/09/53/29/916095329.db2.gz WKELXLOCPAHRCQ-FQEVSTJZSA-N 2 2 354.498 1.018 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084833055 917554403 /nfs/dbraw/zinc/55/44/03/917554403.db2.gz MOPLVHPTKGCGHG-VQIMIIECSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084833055 917554413 /nfs/dbraw/zinc/55/44/13/917554413.db2.gz MOPLVHPTKGCGHG-VQIMIIECSA-N 2 2 367.428 1.935 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncccc3C)[C@H]2C1 ZINC001084961131 918907152 /nfs/dbraw/zinc/90/71/52/918907152.db2.gz MVBPIMSUICLHJD-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ncccc3C)[C@H]2C1 ZINC001084961131 918907156 /nfs/dbraw/zinc/90/71/56/918907156.db2.gz MVBPIMSUICLHJD-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ncccc3C)[C@H]2C1 ZINC001084961131 918907165 /nfs/dbraw/zinc/90/71/65/918907165.db2.gz MVBPIMSUICLHJD-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ncccc3C)[C@H]2C1 ZINC001084961131 918907166 /nfs/dbraw/zinc/90/71/66/918907166.db2.gz MVBPIMSUICLHJD-GIVPXCGWSA-N 2 2 366.509 1.910 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014981 919666470 /nfs/dbraw/zinc/66/64/70/919666470.db2.gz PELBNRJRISCRDH-YZGWKJHDSA-N 2 2 359.514 1.576 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014981 919666485 /nfs/dbraw/zinc/66/64/85/919666485.db2.gz PELBNRJRISCRDH-YZGWKJHDSA-N 2 2 359.514 1.576 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085014981 919666492 /nfs/dbraw/zinc/66/64/92/919666492.db2.gz PELBNRJRISCRDH-YZGWKJHDSA-N 2 2 359.514 1.576 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014981 919666497 /nfs/dbraw/zinc/66/64/97/919666497.db2.gz PELBNRJRISCRDH-YZGWKJHDSA-N 2 2 359.514 1.576 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC001085074909 920535713 /nfs/dbraw/zinc/53/57/13/920535713.db2.gz IAUQBDKOOWASTG-QUCCMNQESA-N 2 2 363.465 1.957 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC001085074909 920535727 /nfs/dbraw/zinc/53/57/27/920535727.db2.gz IAUQBDKOOWASTG-QUCCMNQESA-N 2 2 363.465 1.957 20 30 FDEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(S(N)(=O)=O)cc3)cc2)CC1 ZINC000771554459 930737332 /nfs/dbraw/zinc/73/73/32/930737332.db2.gz WEUATTXNZAZMPI-UHFFFAOYSA-N 2 2 373.482 1.532 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461261 938436205 /nfs/dbraw/zinc/43/62/05/938436205.db2.gz SSDVCTWDHWKQMK-QYZOEREBSA-N 2 2 368.485 1.499 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461261 938436208 /nfs/dbraw/zinc/43/62/08/938436208.db2.gz SSDVCTWDHWKQMK-QYZOEREBSA-N 2 2 368.485 1.499 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130574382 939874665 /nfs/dbraw/zinc/87/46/65/939874665.db2.gz SXAGUEGEIOBQMY-DOTOQJQBSA-N 2 2 356.474 1.626 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130682491 939982225 /nfs/dbraw/zinc/98/22/25/939982225.db2.gz BGRHGCFRYMREDC-XYJFISCASA-N 2 2 354.458 1.175 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cncn1C ZINC001131069991 940484145 /nfs/dbraw/zinc/48/41/45/940484145.db2.gz AJZFSEHZBSEXJF-BFYDXBDKSA-N 2 2 368.485 1.723 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COc3cccc(C#N)c3)CC2)CC1 ZINC000817659728 942868235 /nfs/dbraw/zinc/86/82/35/942868235.db2.gz YARQBKVDVWFXHP-UHFFFAOYSA-N 2 2 370.497 1.956 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COc3cccc(C#N)c3)CC2)CC1 ZINC000817659728 942868238 /nfs/dbraw/zinc/86/82/38/942868238.db2.gz YARQBKVDVWFXHP-UHFFFAOYSA-N 2 2 370.497 1.956 20 30 FDEDLP C#C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000823186086 945529975 /nfs/dbraw/zinc/52/99/75/945529975.db2.gz IMMZQRSXSGYHJP-GOSISDBHSA-N 2 2 350.507 1.082 20 30 FDEDLP C#C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000823186086 945529979 /nfs/dbraw/zinc/52/99/79/945529979.db2.gz IMMZQRSXSGYHJP-GOSISDBHSA-N 2 2 350.507 1.082 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccns3)C[C@@]2(C)C1 ZINC001091749834 952789140 /nfs/dbraw/zinc/78/91/40/952789140.db2.gz QPGZAQGXNHCJOO-AYBZRNKSSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccns3)C[C@@]2(C)C1 ZINC001091749834 952789145 /nfs/dbraw/zinc/78/91/45/952789145.db2.gz QPGZAQGXNHCJOO-AYBZRNKSSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccns3)C[C@@]2(C)C1 ZINC001091749834 952789147 /nfs/dbraw/zinc/78/91/47/952789147.db2.gz QPGZAQGXNHCJOO-AYBZRNKSSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccns3)C[C@@]2(C)C1 ZINC001091749834 952789149 /nfs/dbraw/zinc/78/91/49/952789149.db2.gz QPGZAQGXNHCJOO-AYBZRNKSSA-N 2 2 358.511 1.521 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cnn(C)c1 ZINC001086995904 953035810 /nfs/dbraw/zinc/03/58/10/953035810.db2.gz CINWORLHTNECLC-HLLBOEOZSA-N 2 2 354.458 1.333 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001087007502 953093285 /nfs/dbraw/zinc/09/32/85/953093285.db2.gz HBTLXEZTQMRPCQ-GOEBONIOSA-N 2 2 362.865 1.331 20 30 FDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001092615151 955822317 /nfs/dbraw/zinc/82/23/17/955822317.db2.gz AFRCSLRXJKUBIO-NCXUSEDFSA-N 2 2 354.498 1.861 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001092615151 955822327 /nfs/dbraw/zinc/82/23/27/955822327.db2.gz AFRCSLRXJKUBIO-NCXUSEDFSA-N 2 2 354.498 1.861 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001092689357 956196295 /nfs/dbraw/zinc/19/62/95/956196295.db2.gz JWJSJMBPAMZADS-BJZITVGISA-N 2 2 358.486 1.573 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001092689357 956196302 /nfs/dbraw/zinc/19/63/02/956196302.db2.gz JWJSJMBPAMZADS-BJZITVGISA-N 2 2 358.486 1.573 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(C)oc2C)C[C@H]1C ZINC001092689357 956196304 /nfs/dbraw/zinc/19/63/04/956196304.db2.gz JWJSJMBPAMZADS-BJZITVGISA-N 2 2 358.486 1.573 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(C)oc2C)C[C@H]1C ZINC001092689357 956196306 /nfs/dbraw/zinc/19/63/06/956196306.db2.gz JWJSJMBPAMZADS-BJZITVGISA-N 2 2 358.486 1.573 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001092689903 956197701 /nfs/dbraw/zinc/19/77/01/956197701.db2.gz QYVHULQJVXFHPL-GGPKGHCWSA-N 2 2 371.529 1.746 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001092689903 956197707 /nfs/dbraw/zinc/19/77/07/956197707.db2.gz QYVHULQJVXFHPL-GGPKGHCWSA-N 2 2 371.529 1.746 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001092689903 956197712 /nfs/dbraw/zinc/19/77/12/956197712.db2.gz QYVHULQJVXFHPL-GGPKGHCWSA-N 2 2 371.529 1.746 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001092689903 956197716 /nfs/dbraw/zinc/19/77/16/956197716.db2.gz QYVHULQJVXFHPL-GGPKGHCWSA-N 2 2 371.529 1.746 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccon1)CC2 ZINC001094436262 960441119 /nfs/dbraw/zinc/44/11/19/960441119.db2.gz HEWSUXXSGOJGDU-NLWGTHIKSA-N 2 2 356.470 1.633 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccon1)CC2 ZINC001094436262 960441131 /nfs/dbraw/zinc/44/11/31/960441131.db2.gz HEWSUXXSGOJGDU-NLWGTHIKSA-N 2 2 356.470 1.633 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccon1)CC2 ZINC001094436262 960441138 /nfs/dbraw/zinc/44/11/38/960441138.db2.gz HEWSUXXSGOJGDU-NLWGTHIKSA-N 2 2 356.470 1.633 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccon1)CC2 ZINC001094436262 960441143 /nfs/dbraw/zinc/44/11/43/960441143.db2.gz HEWSUXXSGOJGDU-NLWGTHIKSA-N 2 2 356.470 1.633 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nccn1C)CC2 ZINC001094436865 960482517 /nfs/dbraw/zinc/48/25/17/960482517.db2.gz LBFQPGGSPFWDCR-WAOWUJCRSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nccn1C)CC2 ZINC001094436865 960482523 /nfs/dbraw/zinc/48/25/23/960482523.db2.gz LBFQPGGSPFWDCR-WAOWUJCRSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nccn1C)CC2 ZINC001094436865 960482533 /nfs/dbraw/zinc/48/25/33/960482533.db2.gz LBFQPGGSPFWDCR-WAOWUJCRSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nccn1C)CC2 ZINC001094436865 960482542 /nfs/dbraw/zinc/48/25/42/960482542.db2.gz LBFQPGGSPFWDCR-WAOWUJCRSA-N 2 2 369.513 1.379 20 30 FDEDLP C[C@H](CCCC#N)[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001172493780 961685921 /nfs/dbraw/zinc/68/59/21/961685921.db2.gz CSTYBWRHGIZUCP-SJLPKXTDSA-N 2 2 360.506 1.909 20 30 FDEDLP C[C@H](CCCC#N)[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001172493780 961685932 /nfs/dbraw/zinc/68/59/32/961685932.db2.gz CSTYBWRHGIZUCP-SJLPKXTDSA-N 2 2 360.506 1.909 20 30 FDEDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+](C2CCC(CC#N)CC2)CC3)CC1 ZINC001173334314 962009287 /nfs/dbraw/zinc/00/92/87/962009287.db2.gz WGUMPQCXEBIWSG-UHFFFAOYSA-N 2 2 356.518 1.919 20 30 FDEDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+](C2CCC(CC#N)CC2)CC3)CC1 ZINC001173334314 962009307 /nfs/dbraw/zinc/00/93/07/962009307.db2.gz WGUMPQCXEBIWSG-UHFFFAOYSA-N 2 2 356.518 1.919 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001095240772 962521803 /nfs/dbraw/zinc/52/18/03/962521803.db2.gz CQPOYCDUMRBHNC-FYQPLNBISA-N 2 2 355.457 1.993 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001095240772 962521821 /nfs/dbraw/zinc/52/18/21/962521821.db2.gz CQPOYCDUMRBHNC-FYQPLNBISA-N 2 2 355.457 1.993 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095240772 962521830 /nfs/dbraw/zinc/52/18/30/962521830.db2.gz CQPOYCDUMRBHNC-FYQPLNBISA-N 2 2 355.457 1.993 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095240772 962521848 /nfs/dbraw/zinc/52/18/48/962521848.db2.gz CQPOYCDUMRBHNC-FYQPLNBISA-N 2 2 355.457 1.993 20 30 FDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC12CCOCC2 ZINC001186403044 964474290 /nfs/dbraw/zinc/47/42/90/964474290.db2.gz ZPTAQSOEYGUMEE-GVDBMIGSSA-N 2 2 356.470 1.381 20 30 FDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC12CCOCC2 ZINC001186403044 964474298 /nfs/dbraw/zinc/47/42/98/964474298.db2.gz ZPTAQSOEYGUMEE-GVDBMIGSSA-N 2 2 356.470 1.381 20 30 FDEDLP S=C(NCCC[NH+]1CCOCC1)NN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848399994 976719446 /nfs/dbraw/zinc/71/94/46/976719446.db2.gz ABVSEIBTWCFARK-INIZCTEOSA-N 2 2 353.536 1.177 20 30 FDEDLP S=C(NCCC[NH+]1CCOCC1)NN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848399994 976719454 /nfs/dbraw/zinc/71/94/54/976719454.db2.gz ABVSEIBTWCFARK-INIZCTEOSA-N 2 2 353.536 1.177 20 30 FDEDLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)c1 ZINC000867998676 977182919 /nfs/dbraw/zinc/18/29/19/977182919.db2.gz YXUPXGACIAMHPO-MOPGFXCFSA-N 2 2 358.486 1.723 20 30 FDEDLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)c1 ZINC000867998676 977182925 /nfs/dbraw/zinc/18/29/25/977182925.db2.gz YXUPXGACIAMHPO-MOPGFXCFSA-N 2 2 358.486 1.723 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000884205289 982981070 /nfs/dbraw/zinc/98/10/70/982981070.db2.gz RNMKXPZUUBZYEO-BBWFWOEESA-N 2 2 351.491 1.546 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000884205289 982981071 /nfs/dbraw/zinc/98/10/71/982981071.db2.gz RNMKXPZUUBZYEO-BBWFWOEESA-N 2 2 351.491 1.546 20 30 FDEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884315447 983077436 /nfs/dbraw/zinc/07/74/36/983077436.db2.gz PDWNUAIJOJFFST-XAUUPUKJSA-N 2 2 355.442 1.305 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817135 984342444 /nfs/dbraw/zinc/34/24/44/984342444.db2.gz OPEXHAUYLVJFKG-KURKYZTESA-N 2 2 371.485 1.114 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817135 984342451 /nfs/dbraw/zinc/34/24/51/984342451.db2.gz OPEXHAUYLVJFKG-KURKYZTESA-N 2 2 371.485 1.114 20 30 FDEDLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)CC1 ZINC000369153425 989032364 /nfs/dbraw/zinc/03/23/64/989032364.db2.gz CUIHPLOAEATYKS-HXUWFJFHSA-N 2 2 363.550 1.533 20 30 FDEDLP Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364757159 989772141 /nfs/dbraw/zinc/77/21/41/989772141.db2.gz PKLUEDJBEBCYEK-INIZCTEOSA-N 2 2 369.469 1.090 20 30 FDEDLP Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364757159 989772146 /nfs/dbraw/zinc/77/21/46/989772146.db2.gz PKLUEDJBEBCYEK-INIZCTEOSA-N 2 2 369.469 1.090 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000372339887 991024115 /nfs/dbraw/zinc/02/41/15/991024115.db2.gz XDYMMVVMBCHPOR-ATZDWAIDSA-N 2 2 356.470 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000372339887 991024124 /nfs/dbraw/zinc/02/41/24/991024124.db2.gz XDYMMVVMBCHPOR-ATZDWAIDSA-N 2 2 356.470 1.976 20 30 FDEDLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876767789 992890783 /nfs/dbraw/zinc/89/07/83/992890783.db2.gz AJJTUHJKEMLTNM-LJQANCHMSA-N 2 2 356.470 1.314 20 30 FDEDLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876882521 992947994 /nfs/dbraw/zinc/94/79/94/992947994.db2.gz KEWCCIBISIDJPR-KHYOSLBOSA-N 2 2 356.470 1.313 20 30 FDEDLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876882521 992947996 /nfs/dbraw/zinc/94/79/96/992947996.db2.gz KEWCCIBISIDJPR-KHYOSLBOSA-N 2 2 356.470 1.313 20 30 FDEDLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137116388 993080087 /nfs/dbraw/zinc/08/00/87/993080087.db2.gz CDPVHLLEKCTDPN-UHFFFAOYSA-N 2 2 356.470 1.765 20 30 FDEDLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137116388 993080122 /nfs/dbraw/zinc/08/01/22/993080122.db2.gz CDPVHLLEKCTDPN-UHFFFAOYSA-N 2 2 356.470 1.765 20 30 FDEDLP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC001137118272 993199242 /nfs/dbraw/zinc/19/92/42/993199242.db2.gz SCTREFGPSOLTLW-HBFSDRIKSA-N 2 2 366.469 1.775 20 30 FDEDLP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC001137118272 993199250 /nfs/dbraw/zinc/19/92/50/993199250.db2.gz SCTREFGPSOLTLW-HBFSDRIKSA-N 2 2 366.469 1.775 20 30 FDEDLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC001137118272 993199265 /nfs/dbraw/zinc/19/92/65/993199265.db2.gz SCTREFGPSOLTLW-HBFSDRIKSA-N 2 2 366.469 1.775 20 30 FDEDLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC001137118272 993199280 /nfs/dbraw/zinc/19/92/80/993199280.db2.gz SCTREFGPSOLTLW-HBFSDRIKSA-N 2 2 366.469 1.775 20 30 FDEDLP C#C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000877637886 993399152 /nfs/dbraw/zinc/39/91/52/993399152.db2.gz OFKHCWGTSTZHSW-NRFANRHFSA-N 2 2 358.482 1.916 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(CO)cc1 ZINC001095556273 993432343 /nfs/dbraw/zinc/43/23/43/993432343.db2.gz IWDYOIHZUIBHAV-ANULTFPQSA-N 2 2 367.493 1.498 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(CO)cc1 ZINC001095556273 993432365 /nfs/dbraw/zinc/43/23/65/993432365.db2.gz IWDYOIHZUIBHAV-ANULTFPQSA-N 2 2 367.493 1.498 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(CO)cc1 ZINC001095556273 993432390 /nfs/dbraw/zinc/43/23/90/993432390.db2.gz IWDYOIHZUIBHAV-ANULTFPQSA-N 2 2 367.493 1.498 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(CO)cc1 ZINC001095556273 993432415 /nfs/dbraw/zinc/43/24/15/993432415.db2.gz IWDYOIHZUIBHAV-ANULTFPQSA-N 2 2 367.493 1.498 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)O1 ZINC001095610820 993781122 /nfs/dbraw/zinc/78/11/22/993781122.db2.gz XBFCADNITFOMCX-JIKAWYKTSA-N 2 2 368.481 1.499 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)O1 ZINC001095610820 993781141 /nfs/dbraw/zinc/78/11/41/993781141.db2.gz XBFCADNITFOMCX-JIKAWYKTSA-N 2 2 368.481 1.499 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)O1 ZINC001095610820 993781146 /nfs/dbraw/zinc/78/11/46/993781146.db2.gz XBFCADNITFOMCX-JIKAWYKTSA-N 2 2 368.481 1.499 20 30 FDEDLP C[NH+]1CCC2(CC1)CC[NH+](CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000879250323 994697584 /nfs/dbraw/zinc/69/75/84/994697584.db2.gz DBXJKFSNKDYFKI-UHFFFAOYSA-N 2 2 362.499 1.535 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931292405 1004032326 /nfs/dbraw/zinc/03/23/26/1004032326.db2.gz KZMAEWWHJBAEHH-LJQANCHMSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931292405 1004032340 /nfs/dbraw/zinc/03/23/40/1004032340.db2.gz KZMAEWWHJBAEHH-LJQANCHMSA-N 2 2 359.470 1.485 20 30 FDEDLP NC(=[NH+]OCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCO2 ZINC000158182744 1006964070 /nfs/dbraw/zinc/96/40/70/1006964070.db2.gz DULCLNAYHOUTBD-UHFFFAOYSA-N 2 2 358.442 1.001 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2C#N)O1 ZINC000960043094 1009374879 /nfs/dbraw/zinc/37/48/79/1009374879.db2.gz BSSCGXVWBGATCY-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2C#N)O1 ZINC000960043094 1009374892 /nfs/dbraw/zinc/37/48/92/1009374892.db2.gz BSSCGXVWBGATCY-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP Cc1cccc(NC(=[NH2+])NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000303991078 1009794050 /nfs/dbraw/zinc/79/40/50/1009794050.db2.gz ZECZDIHPWWKEFJ-UHFFFAOYSA-N 2 2 366.469 1.856 20 30 FDEDLP C=CCn1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000648351378 1010451237 /nfs/dbraw/zinc/45/12/37/1010451237.db2.gz UTJIPEPVRJUHPB-RBUKOAKNSA-N 2 2 374.533 1.873 20 30 FDEDLP C=CCn1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000648351378 1010451249 /nfs/dbraw/zinc/45/12/49/1010451249.db2.gz UTJIPEPVRJUHPB-RBUKOAKNSA-N 2 2 374.533 1.873 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)C1=O ZINC001095863525 1011966470 /nfs/dbraw/zinc/96/64/70/1011966470.db2.gz SVONZOSUCDTGLF-VSZNYVQBSA-N 2 2 374.529 1.369 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)C1=O ZINC001095863525 1011966475 /nfs/dbraw/zinc/96/64/75/1011966475.db2.gz SVONZOSUCDTGLF-VSZNYVQBSA-N 2 2 374.529 1.369 20 30 FDEDLP Cc1nsc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000297461740 184274622 /nfs/dbraw/zinc/27/46/22/184274622.db2.gz QFGMVGPHJKIMLC-UHFFFAOYSA-N 2 2 350.492 1.813 20 30 FDEDLP Cc1nsc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000297461740 184274624 /nfs/dbraw/zinc/27/46/24/184274624.db2.gz QFGMVGPHJKIMLC-UHFFFAOYSA-N 2 2 350.492 1.813 20 30 FDEDLP C[NH+]1CCN(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181418477 174223521 /nfs/dbraw/zinc/22/35/21/174223521.db2.gz YGRIBASGMPLQTA-UHFFFAOYSA-N 3 2 355.530 1.750 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000556203851 544117200 /nfs/dbraw/zinc/11/72/00/544117200.db2.gz CLKHDKGFOFQAHQ-IAGOWNOFSA-N 2 2 373.501 1.129 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329075889 259075870 /nfs/dbraw/zinc/07/58/70/259075870.db2.gz AOUBJUQULVQNIT-SJORKVTESA-N 2 2 370.497 1.952 20 30 FDEDLP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(c2cccs2)CC1 ZINC000158895487 524547807 /nfs/dbraw/zinc/54/78/07/524547807.db2.gz PTSPNNZJTPGNSW-OAHLLOKOSA-N 2 2 351.520 1.166 20 30 FDEDLP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(c2cccs2)CC1 ZINC000158895487 524547797 /nfs/dbraw/zinc/54/77/97/524547797.db2.gz PTSPNNZJTPGNSW-OAHLLOKOSA-N 2 2 351.520 1.166 20 30 FDEDLP COc1cc(C#N)ccc1OCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112921587 524597772 /nfs/dbraw/zinc/59/77/72/524597772.db2.gz DAFDEKWOTDOSRM-UHFFFAOYSA-N 2 2 374.485 1.430 20 30 FDEDLP COc1cc(C#N)ccc1OCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112921587 524597780 /nfs/dbraw/zinc/59/77/80/524597780.db2.gz DAFDEKWOTDOSRM-UHFFFAOYSA-N 2 2 374.485 1.430 20 30 FDEDLP C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159956224 524774949 /nfs/dbraw/zinc/77/49/49/524774949.db2.gz VAGGIGQYBBFACA-HOTGVXAUSA-N 2 2 370.505 1.860 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000174892511 524780531 /nfs/dbraw/zinc/78/05/31/524780531.db2.gz NPAIOZPQCRDPHV-SFHVURJKSA-N 2 2 361.534 1.431 20 30 FDEDLP C=CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1OC ZINC000093821192 525003335 /nfs/dbraw/zinc/00/33/35/525003335.db2.gz CEARLCILSIZVEX-GOSISDBHSA-N 2 2 373.497 1.998 20 30 FDEDLP C=CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1OC ZINC000093821192 525003344 /nfs/dbraw/zinc/00/33/44/525003344.db2.gz CEARLCILSIZVEX-GOSISDBHSA-N 2 2 373.497 1.998 20 30 FDEDLP CC(C)CNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000104054403 525389100 /nfs/dbraw/zinc/38/91/00/525389100.db2.gz YARCWDGRAQFYCD-UHFFFAOYSA-N 2 2 362.474 1.052 20 30 FDEDLP Cc1cc(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000131071629 525826347 /nfs/dbraw/zinc/82/63/47/525826347.db2.gz FVXXSMBJRXSRJT-UHFFFAOYSA-N 2 2 358.490 1.793 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc(COc2ccccc2)[nH]1 ZINC000184654477 536173555 /nfs/dbraw/zinc/17/35/55/536173555.db2.gz PKYCTJQRINJPKE-CQSZACIVSA-N 2 2 357.462 1.272 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc(COc2ccccc2)[nH]1 ZINC000184654477 536173557 /nfs/dbraw/zinc/17/35/57/536173557.db2.gz PKYCTJQRINJPKE-CQSZACIVSA-N 2 2 357.462 1.272 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363823882 537330682 /nfs/dbraw/zinc/33/06/82/537330682.db2.gz OGOBXOHOJGXBSE-IBGZPJMESA-N 3 2 363.550 1.447 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363823882 537330686 /nfs/dbraw/zinc/33/06/86/537330686.db2.gz OGOBXOHOJGXBSE-IBGZPJMESA-N 3 2 363.550 1.447 20 30 FDEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCC(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372540366 537975271 /nfs/dbraw/zinc/97/52/71/537975271.db2.gz WJXBBTDSZZOROY-FXAWDEMLSA-N 2 2 374.533 1.887 20 30 FDEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCC(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372540366 537975273 /nfs/dbraw/zinc/97/52/73/537975273.db2.gz WJXBBTDSZZOROY-FXAWDEMLSA-N 2 2 374.533 1.887 20 30 FDEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCC(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372540366 537975280 /nfs/dbraw/zinc/97/52/80/537975280.db2.gz WJXBBTDSZZOROY-FXAWDEMLSA-N 2 2 374.533 1.887 20 30 FDEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCC(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372540366 537975282 /nfs/dbraw/zinc/97/52/82/537975282.db2.gz WJXBBTDSZZOROY-FXAWDEMLSA-N 2 2 374.533 1.887 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000377833368 538033191 /nfs/dbraw/zinc/03/31/91/538033191.db2.gz YTSXCBNBTRLPRS-IBGZPJMESA-N 2 2 355.486 1.597 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000377833368 538033194 /nfs/dbraw/zinc/03/31/94/538033194.db2.gz YTSXCBNBTRLPRS-IBGZPJMESA-N 2 2 355.486 1.597 20 30 FDEDLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)CC2 ZINC000424151105 538247206 /nfs/dbraw/zinc/24/72/06/538247206.db2.gz HAJOIGXLIIHTFH-INIZCTEOSA-N 2 2 360.458 1.199 20 30 FDEDLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)CC2 ZINC000424151105 538247212 /nfs/dbraw/zinc/24/72/12/538247212.db2.gz HAJOIGXLIIHTFH-INIZCTEOSA-N 2 2 360.458 1.199 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000566633184 547835458 /nfs/dbraw/zinc/83/54/58/547835458.db2.gz ZOSASVJJHXILTJ-HXUWFJFHSA-N 2 2 366.465 1.947 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000571526382 549678259 /nfs/dbraw/zinc/67/82/59/549678259.db2.gz FDQUDCSCVZVMMD-WDSOQIARSA-N 2 2 354.454 1.509 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585716892 551586904 /nfs/dbraw/zinc/58/69/04/551586904.db2.gz AWOPFJHWNSACRB-OALUTQOASA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585716892 551586905 /nfs/dbraw/zinc/58/69/05/551586905.db2.gz AWOPFJHWNSACRB-OALUTQOASA-N 2 2 359.470 1.485 20 30 FDEDLP COc1cc(OC)cc([C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2[nH+]ccn2C)c1 ZINC000591967307 551921389 /nfs/dbraw/zinc/92/13/89/551921389.db2.gz KURXZDQJKFDFTJ-IRXDYDNUSA-N 2 2 371.441 1.664 20 30 FDEDLP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]2CCOCC2)cc1 ZINC000594440914 552311065 /nfs/dbraw/zinc/31/10/65/552311065.db2.gz JFYLOYLWVOJGBL-MOPGFXCFSA-N 2 2 358.486 1.896 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000594803163 552391003 /nfs/dbraw/zinc/39/10/03/552391003.db2.gz KDLXUIVOACIQJP-ZDUSSCGKSA-N 2 2 356.467 1.248 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000594803163 552391005 /nfs/dbraw/zinc/39/10/05/552391005.db2.gz KDLXUIVOACIQJP-ZDUSSCGKSA-N 2 2 356.467 1.248 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000594803938 552391079 /nfs/dbraw/zinc/39/10/79/552391079.db2.gz RTKXTGOQRBFKOM-INIZCTEOSA-N 2 2 358.552 1.652 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000594803938 552391081 /nfs/dbraw/zinc/39/10/81/552391081.db2.gz RTKXTGOQRBFKOM-INIZCTEOSA-N 2 2 358.552 1.652 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594820656 552398556 /nfs/dbraw/zinc/39/85/56/552398556.db2.gz FBOLMTAWVHFAKX-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594820656 552398559 /nfs/dbraw/zinc/39/85/59/552398559.db2.gz FBOLMTAWVHFAKX-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000595468647 552567251 /nfs/dbraw/zinc/56/72/51/552567251.db2.gz AUXUANCWEISPOU-IBGZPJMESA-N 2 2 356.470 1.361 20 30 FDEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000595468647 552567252 /nfs/dbraw/zinc/56/72/52/552567252.db2.gz AUXUANCWEISPOU-IBGZPJMESA-N 2 2 356.470 1.361 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3ccc(C#N)cc3)C2)CC1 ZINC000595514366 552576591 /nfs/dbraw/zinc/57/65/91/552576591.db2.gz DURGYUQLRRVWHK-SFHVURJKSA-N 2 2 355.486 1.568 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3ccc(C#N)cc3)C2)CC1 ZINC000595514366 552576592 /nfs/dbraw/zinc/57/65/92/552576592.db2.gz DURGYUQLRRVWHK-SFHVURJKSA-N 2 2 355.486 1.568 20 30 FDEDLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000595907791 552631798 /nfs/dbraw/zinc/63/17/98/552631798.db2.gz YLRKDEFAKDTMHM-MOPGFXCFSA-N 2 2 356.470 1.706 20 30 FDEDLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000595907791 552631800 /nfs/dbraw/zinc/63/18/00/552631800.db2.gz YLRKDEFAKDTMHM-MOPGFXCFSA-N 2 2 356.470 1.706 20 30 FDEDLP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C#N)c(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[nH+]1 ZINC000596214135 552665545 /nfs/dbraw/zinc/66/55/45/552665545.db2.gz NFCHTZHJPXWQED-USTZCAOPSA-N 3 2 366.513 1.257 20 30 FDEDLP Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C#N)c(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[nH+]1 ZINC000596214135 552665546 /nfs/dbraw/zinc/66/55/46/552665546.db2.gz NFCHTZHJPXWQED-USTZCAOPSA-N 3 2 366.513 1.257 20 30 FDEDLP Cc1cc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)c(C#N)c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]1 ZINC000596214135 552665548 /nfs/dbraw/zinc/66/55/48/552665548.db2.gz NFCHTZHJPXWQED-USTZCAOPSA-N 3 2 366.513 1.257 20 30 FDEDLP Cc1cc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)c(C#N)c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]1 ZINC000596214135 552665550 /nfs/dbraw/zinc/66/55/50/552665550.db2.gz NFCHTZHJPXWQED-USTZCAOPSA-N 3 2 366.513 1.257 20 30 FDEDLP CN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559752 554393427 /nfs/dbraw/zinc/39/34/27/554393427.db2.gz NTKVKDYWDUYBAK-LJQANCHMSA-N 2 2 355.486 1.597 20 30 FDEDLP CN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559752 554393428 /nfs/dbraw/zinc/39/34/28/554393428.db2.gz NTKVKDYWDUYBAK-LJQANCHMSA-N 2 2 355.486 1.597 20 30 FDEDLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000613994660 554995334 /nfs/dbraw/zinc/99/53/34/554995334.db2.gz AEOXVJJDAOIOBC-HUUCEWRRSA-N 2 2 351.372 1.324 20 30 FDEDLP C[NH+]1CCC(CNC(=O)N2CC[C@@](F)(C#N)C2)([NH+]2CCCCC2)CC1 ZINC000615591198 555217220 /nfs/dbraw/zinc/21/72/20/555217220.db2.gz HKFZNPIBCJNFOC-QGZVFWFLSA-N 2 2 351.470 1.584 20 30 FDEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000619781314 555833173 /nfs/dbraw/zinc/83/31/73/555833173.db2.gz SPBRJVMSWCEFJY-LJQANCHMSA-N 2 2 373.476 1.172 20 30 FDEDLP C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636707550 567877590 /nfs/dbraw/zinc/87/75/90/567877590.db2.gz OYZMBXSKDOPYCU-MRXNPFEDSA-N 2 2 364.534 1.380 20 30 FDEDLP C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636707550 567877591 /nfs/dbraw/zinc/87/75/91/567877591.db2.gz OYZMBXSKDOPYCU-MRXNPFEDSA-N 2 2 364.534 1.380 20 30 FDEDLP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261978892 672705901 /nfs/dbraw/zinc/70/59/01/672705901.db2.gz OJRONTVXVQRADJ-UHFFFAOYSA-N 2 2 358.552 1.335 20 30 FDEDLP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262943941 672855488 /nfs/dbraw/zinc/85/54/88/672855488.db2.gz AJGXKBFBDXHMQV-QGZVFWFLSA-N 3 2 351.539 1.138 20 30 FDEDLP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262943941 672855495 /nfs/dbraw/zinc/85/54/95/672855495.db2.gz AJGXKBFBDXHMQV-QGZVFWFLSA-N 3 2 351.539 1.138 20 30 FDEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000303776941 676542719 /nfs/dbraw/zinc/54/27/19/676542719.db2.gz ICMYUPHRXHWYMX-MRXNPFEDSA-N 2 2 350.463 1.787 20 30 FDEDLP CC(=O)N1CCCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329089905 676619301 /nfs/dbraw/zinc/61/93/01/676619301.db2.gz WIDTURZFTUXONC-SFHVURJKSA-N 2 2 350.507 1.903 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373872717 678068059 /nfs/dbraw/zinc/06/80/59/678068059.db2.gz SBFIHXCMHPLJGD-NUJGCVRESA-N 2 2 350.507 1.435 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373872717 678068060 /nfs/dbraw/zinc/06/80/60/678068060.db2.gz SBFIHXCMHPLJGD-NUJGCVRESA-N 2 2 350.507 1.435 20 30 FDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489909138 687121379 /nfs/dbraw/zinc/12/13/79/687121379.db2.gz STDNMRHAYOXHSB-SJORKVTESA-N 2 2 362.543 1.631 20 30 FDEDLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001165009444 721743131 /nfs/dbraw/zinc/74/31/31/721743131.db2.gz DJRDXVYAMMRYKX-UHFFFAOYSA-N 2 2 366.469 1.958 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274861 772715888 /nfs/dbraw/zinc/71/58/88/772715888.db2.gz YKVFPRKPMCPPPF-BZUAXINKSA-N 2 2 361.490 1.107 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274861 772715890 /nfs/dbraw/zinc/71/58/90/772715890.db2.gz YKVFPRKPMCPPPF-BZUAXINKSA-N 2 2 361.490 1.107 20 30 FDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCC[N@H+]1CCCC)C2 ZINC001112493310 773781465 /nfs/dbraw/zinc/78/14/65/773781465.db2.gz VPQAKXCOWNZBAZ-ZVDOUQERSA-N 2 2 361.530 1.729 20 30 FDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCC[N@@H+]1CCCC)C2 ZINC001112493310 773781472 /nfs/dbraw/zinc/78/14/72/773781472.db2.gz VPQAKXCOWNZBAZ-ZVDOUQERSA-N 2 2 361.530 1.729 20 30 FDEDLP C=CCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656317481 774955177 /nfs/dbraw/zinc/95/51/77/774955177.db2.gz XVMRWZHLECSYBL-MRXNPFEDSA-N 2 2 350.507 1.134 20 30 FDEDLP C=CCCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656317481 774955178 /nfs/dbraw/zinc/95/51/78/774955178.db2.gz XVMRWZHLECSYBL-MRXNPFEDSA-N 2 2 350.507 1.134 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087141084 775141560 /nfs/dbraw/zinc/14/15/60/775141560.db2.gz AYYUEHOMYREQGE-UXPWSPDFSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087141084 775141570 /nfs/dbraw/zinc/14/15/70/775141570.db2.gz AYYUEHOMYREQGE-UXPWSPDFSA-N 2 2 370.497 1.606 20 30 FDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367303 777936293 /nfs/dbraw/zinc/93/62/93/777936293.db2.gz OJBWLHCBFQNZOS-KURKYZTESA-N 2 2 360.502 1.722 20 30 FDEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC001083239169 781729542 /nfs/dbraw/zinc/72/95/42/781729542.db2.gz WUPDJRQOLHWBNX-RBUKOAKNSA-N 2 2 350.422 1.421 20 30 FDEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC001083239169 781729551 /nfs/dbraw/zinc/72/95/51/781729551.db2.gz WUPDJRQOLHWBNX-RBUKOAKNSA-N 2 2 350.422 1.421 20 30 FDEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000377511369 792060347 /nfs/dbraw/zinc/06/03/47/792060347.db2.gz JLXFRGCSZRJAKV-UHFFFAOYSA-N 2 2 356.470 1.931 20 30 FDEDLP C=CC[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H](C)COC ZINC000661245240 803096120 /nfs/dbraw/zinc/09/61/20/803096120.db2.gz ZIGFDZJHZXPOBI-SFHVURJKSA-N 2 2 367.534 1.661 20 30 FDEDLP C=CC[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H](C)COC ZINC000661245240 803096126 /nfs/dbraw/zinc/09/61/26/803096126.db2.gz ZIGFDZJHZXPOBI-SFHVURJKSA-N 2 2 367.534 1.661 20 30 FDEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027502589 804710499 /nfs/dbraw/zinc/71/04/99/804710499.db2.gz XPVQDONNHXCSNW-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027502589 804710501 /nfs/dbraw/zinc/71/05/01/804710501.db2.gz XPVQDONNHXCSNW-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261931062 811346948 /nfs/dbraw/zinc/34/69/48/811346948.db2.gz BJIIUCFFADJUOR-MAUKXSAKSA-N 3 2 369.517 1.969 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261931062 811346958 /nfs/dbraw/zinc/34/69/58/811346958.db2.gz BJIIUCFFADJUOR-MAUKXSAKSA-N 3 2 369.517 1.969 20 30 FDEDLP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1C ZINC000261955846 811352307 /nfs/dbraw/zinc/35/23/07/811352307.db2.gz ISAJHVLCKKFTLK-XJKSGUPXSA-N 2 2 356.478 1.511 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422211939 814802034 /nfs/dbraw/zinc/80/20/34/814802034.db2.gz QAZIMKGUZXIKMJ-MOPGFXCFSA-N 2 2 364.534 1.922 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422211939 814802035 /nfs/dbraw/zinc/80/20/35/814802035.db2.gz QAZIMKGUZXIKMJ-MOPGFXCFSA-N 2 2 364.534 1.922 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087529817 820611268 /nfs/dbraw/zinc/61/12/68/820611268.db2.gz VMQRUPKOWPVHPK-ZCNNSNEGSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087529817 820611272 /nfs/dbraw/zinc/61/12/72/820611272.db2.gz VMQRUPKOWPVHPK-ZCNNSNEGSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CC#Cc1ccccc1 ZINC001087529817 820611282 /nfs/dbraw/zinc/61/12/82/820611282.db2.gz VMQRUPKOWPVHPK-ZCNNSNEGSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CC#Cc1ccccc1 ZINC001087529817 820611283 /nfs/dbraw/zinc/61/12/83/820611283.db2.gz VMQRUPKOWPVHPK-ZCNNSNEGSA-N 2 2 355.482 1.338 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccnc2C)[C@@H]1CC ZINC001087607300 821716020 /nfs/dbraw/zinc/71/60/20/821716020.db2.gz WXIAOEDUFKXFHM-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2C)[C@@H]1CC ZINC001087607300 821716030 /nfs/dbraw/zinc/71/60/30/821716030.db2.gz WXIAOEDUFKXFHM-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccnc2C)[C@@H]1CC ZINC001087607300 821716037 /nfs/dbraw/zinc/71/60/37/821716037.db2.gz WXIAOEDUFKXFHM-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccnc2C)[C@@H]1CC ZINC001087607300 821716042 /nfs/dbraw/zinc/71/60/42/821716042.db2.gz WXIAOEDUFKXFHM-ZCNNSNEGSA-N 2 2 354.498 1.957 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087622490 821780435 /nfs/dbraw/zinc/78/04/35/821780435.db2.gz PLGKFJAEFFFQFS-XWPNQZOQSA-N 2 2 370.497 1.746 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccccc1C#N ZINC001087622490 821780441 /nfs/dbraw/zinc/78/04/41/821780441.db2.gz PLGKFJAEFFFQFS-XWPNQZOQSA-N 2 2 370.497 1.746 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccccc1C#N ZINC001087622490 821780450 /nfs/dbraw/zinc/78/04/50/821780450.db2.gz PLGKFJAEFFFQFS-XWPNQZOQSA-N 2 2 370.497 1.746 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccccc1C#N ZINC001087622490 821780460 /nfs/dbraw/zinc/78/04/60/821780460.db2.gz PLGKFJAEFFFQFS-XWPNQZOQSA-N 2 2 370.497 1.746 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000895527379 822638196 /nfs/dbraw/zinc/63/81/96/822638196.db2.gz YPSOUYADONGNMR-HXUWFJFHSA-N 2 2 368.481 1.313 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000895527379 822638200 /nfs/dbraw/zinc/63/82/00/822638200.db2.gz YPSOUYADONGNMR-HXUWFJFHSA-N 2 2 368.481 1.313 20 30 FDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000474359539 822734968 /nfs/dbraw/zinc/73/49/68/822734968.db2.gz YILPLYPELACFCX-UHFFFAOYSA-N 2 2 363.414 1.887 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000329105302 824590496 /nfs/dbraw/zinc/59/04/96/824590496.db2.gz GZXVKIJBKUCTJV-KRWDZBQOSA-N 2 2 362.522 1.669 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000329105302 824590498 /nfs/dbraw/zinc/59/04/98/824590498.db2.gz GZXVKIJBKUCTJV-KRWDZBQOSA-N 2 2 362.522 1.669 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000329299794 824721901 /nfs/dbraw/zinc/72/19/01/824721901.db2.gz MCYLFOQNWDMARA-GOSISDBHSA-N 2 2 353.470 1.827 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000329299794 824721906 /nfs/dbraw/zinc/72/19/06/824721906.db2.gz MCYLFOQNWDMARA-GOSISDBHSA-N 2 2 353.470 1.827 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)nc[nH+]1 ZINC000329305826 824725357 /nfs/dbraw/zinc/72/53/57/824725357.db2.gz YLIDQWFYVKFRHG-ARFHVFGLSA-N 2 2 373.505 1.427 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)nc[nH+]1 ZINC000329305826 824725360 /nfs/dbraw/zinc/72/53/60/824725360.db2.gz YLIDQWFYVKFRHG-ARFHVFGLSA-N 2 2 373.505 1.427 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)[nH+]cn1 ZINC000329305826 824725367 /nfs/dbraw/zinc/72/53/67/824725367.db2.gz YLIDQWFYVKFRHG-ARFHVFGLSA-N 2 2 373.505 1.427 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncc(C)cn3)CC[C@@H]2C1 ZINC001087997923 825073710 /nfs/dbraw/zinc/07/37/10/825073710.db2.gz HNWOPRLNVLTWGV-QYZOEREBSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncc(C)cn3)CC[C@@H]2C1 ZINC001087997923 825073715 /nfs/dbraw/zinc/07/37/15/825073715.db2.gz HNWOPRLNVLTWGV-QYZOEREBSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncc(C)cn3)CC[C@@H]2C1 ZINC001087997923 825073724 /nfs/dbraw/zinc/07/37/24/825073724.db2.gz HNWOPRLNVLTWGV-QYZOEREBSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncc(C)cn3)CC[C@@H]2C1 ZINC001087997923 825073732 /nfs/dbraw/zinc/07/37/32/825073732.db2.gz HNWOPRLNVLTWGV-QYZOEREBSA-N 2 2 367.497 1.163 20 30 FDEDLP C[NH+]1CCN(Cc2cccc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2)CC1 ZINC000531054195 830547878 /nfs/dbraw/zinc/54/78/78/830547878.db2.gz QSZHIYXGAQPQOB-UHFFFAOYSA-N 2 2 355.486 1.152 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)cc2C)[C@@H]1C ZINC001088631644 838605507 /nfs/dbraw/zinc/60/55/07/838605507.db2.gz XVANDRHYPUEGRD-QYZOEREBSA-N 2 2 357.502 1.177 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2nc(C)cc2C)[C@@H]1C ZINC001088631644 838605515 /nfs/dbraw/zinc/60/55/15/838605515.db2.gz XVANDRHYPUEGRD-QYZOEREBSA-N 2 2 357.502 1.177 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2nc(C)cc2C)[C@@H]1C ZINC001088631644 838605520 /nfs/dbraw/zinc/60/55/20/838605520.db2.gz XVANDRHYPUEGRD-QYZOEREBSA-N 2 2 357.502 1.177 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2nc(C)cc2C)[C@@H]1C ZINC001088631644 838605522 /nfs/dbraw/zinc/60/55/22/838605522.db2.gz XVANDRHYPUEGRD-QYZOEREBSA-N 2 2 357.502 1.177 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105622465 842246634 /nfs/dbraw/zinc/24/66/34/842246634.db2.gz BALFXJWCRMKEAY-YKCBXCCJSA-N 2 2 358.486 1.332 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105622912 842249906 /nfs/dbraw/zinc/24/99/06/842249906.db2.gz JXZHGDQSELOEKL-YAJHFMINSA-N 2 2 358.486 1.332 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088815314 845758805 /nfs/dbraw/zinc/75/88/05/845758805.db2.gz JJOOUKAEIGGHEJ-UXPWSPDFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088815314 845758810 /nfs/dbraw/zinc/75/88/10/845758810.db2.gz JJOOUKAEIGGHEJ-UXPWSPDFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088815314 845758815 /nfs/dbraw/zinc/75/88/15/845758815.db2.gz JJOOUKAEIGGHEJ-UXPWSPDFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088815314 845758823 /nfs/dbraw/zinc/75/88/23/845758823.db2.gz JJOOUKAEIGGHEJ-UXPWSPDFSA-N 2 2 370.497 1.746 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4nc(C)no4)C[C@H]32)CC1 ZINC001076605909 848557479 /nfs/dbraw/zinc/55/74/79/848557479.db2.gz ZBHOTEBMRJJUJA-FHLIZLRMSA-N 2 2 371.485 1.317 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4nc(C)no4)C[C@H]32)CC1 ZINC001076605909 848557483 /nfs/dbraw/zinc/55/74/83/848557483.db2.gz ZBHOTEBMRJJUJA-FHLIZLRMSA-N 2 2 371.485 1.317 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1O ZINC001077132536 849863061 /nfs/dbraw/zinc/86/30/61/849863061.db2.gz XZQCIIQRLUIRSW-XUVXKRRUSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1O ZINC001077132536 849863079 /nfs/dbraw/zinc/86/30/79/849863079.db2.gz XZQCIIQRLUIRSW-XUVXKRRUSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001077132536 849863086 /nfs/dbraw/zinc/86/30/86/849863086.db2.gz XZQCIIQRLUIRSW-XUVXKRRUSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001077132536 849863094 /nfs/dbraw/zinc/86/30/94/849863094.db2.gz XZQCIIQRLUIRSW-XUVXKRRUSA-N 2 2 370.497 1.482 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@H]1O ZINC001077159192 849955380 /nfs/dbraw/zinc/95/53/80/849955380.db2.gz SXQLVNZKWDANOF-QHAWAJNXSA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2CC)C[C@H]1O ZINC001077159192 849955382 /nfs/dbraw/zinc/95/53/82/849955382.db2.gz SXQLVNZKWDANOF-QHAWAJNXSA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2CC)C[C@H]1O ZINC001077159192 849955384 /nfs/dbraw/zinc/95/53/84/849955384.db2.gz SXQLVNZKWDANOF-QHAWAJNXSA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2CC)C[C@H]1O ZINC001077159192 849955388 /nfs/dbraw/zinc/95/53/88/849955388.db2.gz SXQLVNZKWDANOF-QHAWAJNXSA-N 2 2 369.509 1.050 20 30 FDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cccc([C@@H](C#N)C(=O)OC(C)(C)C)n2)CC1 ZINC001168735495 879455763 /nfs/dbraw/zinc/45/57/63/879455763.db2.gz RKTIMUDEFVJVQE-CYBMUJFWSA-N 2 2 358.446 1.625 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000246104553 884808483 /nfs/dbraw/zinc/80/84/83/884808483.db2.gz CSCOUWPOJVKXMO-APWZRJJASA-N 2 2 355.486 1.597 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000246104553 884808504 /nfs/dbraw/zinc/80/85/04/884808504.db2.gz CSCOUWPOJVKXMO-APWZRJJASA-N 2 2 355.486 1.597 20 30 FDEDLP C=C(C)C[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000466661392 887955393 /nfs/dbraw/zinc/95/53/93/887955393.db2.gz ROHGEXFINIHPBH-KRWDZBQOSA-N 2 2 364.534 1.286 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303805 889991998 /nfs/dbraw/zinc/99/19/98/889991998.db2.gz NARRHAGGSJRVEH-FGTMMUONSA-N 2 2 361.490 1.572 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303805 889992009 /nfs/dbraw/zinc/99/20/09/889992009.db2.gz NARRHAGGSJRVEH-FGTMMUONSA-N 2 2 361.490 1.572 20 30 FDEDLP C=CCCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303805 889992016 /nfs/dbraw/zinc/99/20/16/889992016.db2.gz NARRHAGGSJRVEH-FGTMMUONSA-N 2 2 361.490 1.572 20 30 FDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959449 897340087 /nfs/dbraw/zinc/34/00/87/897340087.db2.gz KJVUMRXDLJEBEB-BRWVUGGUSA-N 2 2 356.470 1.144 20 30 FDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959449 897340096 /nfs/dbraw/zinc/34/00/96/897340096.db2.gz KJVUMRXDLJEBEB-BRWVUGGUSA-N 2 2 356.470 1.144 20 30 FDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001001669270 899130482 /nfs/dbraw/zinc/13/04/82/899130482.db2.gz LSTISGMQURYQSV-MOPGFXCFSA-N 2 2 365.518 1.271 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cnn(CC)c3)C[C@H]21 ZINC001084417695 914373186 /nfs/dbraw/zinc/37/31/86/914373186.db2.gz ALLBISTXLDNALT-HSALFYBXSA-N 2 2 369.513 1.076 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3cnn(CC)c3)C[C@H]21 ZINC001084417695 914373207 /nfs/dbraw/zinc/37/32/07/914373207.db2.gz ALLBISTXLDNALT-HSALFYBXSA-N 2 2 369.513 1.076 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3cnn(CC)c3)C[C@H]21 ZINC001084417695 914373227 /nfs/dbraw/zinc/37/32/27/914373227.db2.gz ALLBISTXLDNALT-HSALFYBXSA-N 2 2 369.513 1.076 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3cnn(CC)c3)C[C@H]21 ZINC001084417695 914373247 /nfs/dbraw/zinc/37/32/47/914373247.db2.gz ALLBISTXLDNALT-HSALFYBXSA-N 2 2 369.513 1.076 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(OC)c3)C[C@H]21 ZINC001084418068 914380118 /nfs/dbraw/zinc/38/01/18/914380118.db2.gz SXBXDQJXLDSKGG-HLAWJBBLSA-N 2 2 367.493 1.826 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(OC)c3)C[C@H]21 ZINC001084418068 914380139 /nfs/dbraw/zinc/38/01/39/914380139.db2.gz SXBXDQJXLDSKGG-HLAWJBBLSA-N 2 2 367.493 1.826 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(OC)c3)C[C@H]21 ZINC001084418068 914380156 /nfs/dbraw/zinc/38/01/56/914380156.db2.gz SXBXDQJXLDSKGG-HLAWJBBLSA-N 2 2 367.493 1.826 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(OC)c3)C[C@H]21 ZINC001084418068 914380175 /nfs/dbraw/zinc/38/01/75/914380175.db2.gz SXBXDQJXLDSKGG-HLAWJBBLSA-N 2 2 367.493 1.826 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248069 902262560 /nfs/dbraw/zinc/26/25/60/902262560.db2.gz GNCMMQJOJJDAOS-OKZBNKHCSA-N 2 2 370.497 1.571 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079254122 902278654 /nfs/dbraw/zinc/27/86/54/902278654.db2.gz MSVHVQSRFGIPJT-DLBZAZTESA-N 2 2 358.486 1.478 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1ccccc1F ZINC001079299285 902341756 /nfs/dbraw/zinc/34/17/56/902341756.db2.gz HWRASXQUGSBLDX-ZAAXVRCTSA-N 2 2 366.440 1.802 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950282 903745798 /nfs/dbraw/zinc/74/57/98/903745798.db2.gz LABKCXARVXWKMC-OHDICMOHSA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950282 903745807 /nfs/dbraw/zinc/74/58/07/903745807.db2.gz LABKCXARVXWKMC-OHDICMOHSA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079950282 903745816 /nfs/dbraw/zinc/74/58/16/903745816.db2.gz LABKCXARVXWKMC-OHDICMOHSA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079950282 903745822 /nfs/dbraw/zinc/74/58/22/903745822.db2.gz LABKCXARVXWKMC-OHDICMOHSA-N 2 2 356.470 1.214 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326602 906906934 /nfs/dbraw/zinc/90/69/34/906906934.db2.gz JWNOVPUKGDADTH-XUVXKRRUSA-N 2 2 355.482 1.195 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326602 906906938 /nfs/dbraw/zinc/90/69/38/906906938.db2.gz JWNOVPUKGDADTH-XUVXKRRUSA-N 2 2 355.482 1.195 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326602 906906943 /nfs/dbraw/zinc/90/69/43/906906943.db2.gz JWNOVPUKGDADTH-XUVXKRRUSA-N 2 2 355.482 1.195 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326602 906906944 /nfs/dbraw/zinc/90/69/44/906906944.db2.gz JWNOVPUKGDADTH-XUVXKRRUSA-N 2 2 355.482 1.195 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084523456 915175470 /nfs/dbraw/zinc/17/54/70/915175470.db2.gz HSYSFEHGUNVGPF-IEBWSBKVSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084523456 915175477 /nfs/dbraw/zinc/17/54/77/915175477.db2.gz HSYSFEHGUNVGPF-IEBWSBKVSA-N 2 2 367.428 1.935 20 30 FDEDLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3OC)C[C@H]21)[NH+](C)C ZINC001084667421 915979573 /nfs/dbraw/zinc/97/95/73/915979573.db2.gz CORVSEXUPXFFGN-NZSAHSFTSA-N 2 2 370.497 1.940 20 30 FDEDLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3OC)C[C@H]21)[NH+](C)C ZINC001084667421 915979575 /nfs/dbraw/zinc/97/95/75/915979575.db2.gz CORVSEXUPXFFGN-NZSAHSFTSA-N 2 2 370.497 1.940 20 30 FDEDLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001084830004 917503540 /nfs/dbraw/zinc/50/35/40/917503540.db2.gz HAXYWJWYWNVTAV-GPMSIDNRSA-N 2 2 356.445 1.682 20 30 FDEDLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001084830004 917503545 /nfs/dbraw/zinc/50/35/45/917503545.db2.gz HAXYWJWYWNVTAV-GPMSIDNRSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001084830004 917503552 /nfs/dbraw/zinc/50/35/52/917503552.db2.gz HAXYWJWYWNVTAV-GPMSIDNRSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001084830004 917503562 /nfs/dbraw/zinc/50/35/62/917503562.db2.gz HAXYWJWYWNVTAV-GPMSIDNRSA-N 2 2 356.445 1.682 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cncc(C)c3)[C@H]2C1 ZINC001084960971 918905583 /nfs/dbraw/zinc/90/55/83/918905583.db2.gz CEGDNQBVNNQLOO-HKBOAZHASA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cncc(C)c3)[C@H]2C1 ZINC001084960971 918905590 /nfs/dbraw/zinc/90/55/90/918905590.db2.gz CEGDNQBVNNQLOO-HKBOAZHASA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cncc(C)c3)[C@H]2C1 ZINC001084960971 918905596 /nfs/dbraw/zinc/90/55/96/918905596.db2.gz CEGDNQBVNNQLOO-HKBOAZHASA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cncc(C)c3)[C@H]2C1 ZINC001084960971 918905604 /nfs/dbraw/zinc/90/56/04/918905604.db2.gz CEGDNQBVNNQLOO-HKBOAZHASA-N 2 2 366.509 1.910 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccn4C)[C@H]3C2)CC1 ZINC001085100560 920914081 /nfs/dbraw/zinc/91/40/81/920914081.db2.gz MSTAIHAKNQMZRN-MJGOQNOKSA-N 2 2 369.513 1.188 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccn4C)[C@H]3C2)CC1 ZINC001085100560 920914094 /nfs/dbraw/zinc/91/40/94/920914094.db2.gz MSTAIHAKNQMZRN-MJGOQNOKSA-N 2 2 369.513 1.188 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)ccn1 ZINC001085229706 922981941 /nfs/dbraw/zinc/98/19/41/922981941.db2.gz GECDVBLBXGDLRO-AQNXPRMDSA-N 2 2 370.497 1.705 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)ccn1 ZINC001085229706 922981945 /nfs/dbraw/zinc/98/19/45/922981945.db2.gz GECDVBLBXGDLRO-AQNXPRMDSA-N 2 2 370.497 1.705 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109720086 930242101 /nfs/dbraw/zinc/24/21/01/930242101.db2.gz TXXLXOJYBSABEQ-NHAYFPRASA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109720086 930242108 /nfs/dbraw/zinc/24/21/08/930242108.db2.gz TXXLXOJYBSABEQ-NHAYFPRASA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001109720086 930242115 /nfs/dbraw/zinc/24/21/15/930242115.db2.gz TXXLXOJYBSABEQ-NHAYFPRASA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001109720086 930242123 /nfs/dbraw/zinc/24/21/23/930242123.db2.gz TXXLXOJYBSABEQ-NHAYFPRASA-N 2 2 365.493 1.570 20 30 FDEDLP C=C(Br)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771764753 930900759 /nfs/dbraw/zinc/90/07/59/930900759.db2.gz CUERYXSQORHETM-AWEZNQCLSA-N 2 2 359.312 1.705 20 30 FDEDLP C=C(Br)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771764753 930900761 /nfs/dbraw/zinc/90/07/61/930900761.db2.gz CUERYXSQORHETM-AWEZNQCLSA-N 2 2 359.312 1.705 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109977768 930937334 /nfs/dbraw/zinc/93/73/34/930937334.db2.gz YPRNGKLKTBMYOJ-NEWSRXKRSA-N 2 2 374.460 1.497 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109977768 930937340 /nfs/dbraw/zinc/93/73/40/930937340.db2.gz YPRNGKLKTBMYOJ-NEWSRXKRSA-N 2 2 374.460 1.497 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1n1ccnn1 ZINC001129906916 938549104 /nfs/dbraw/zinc/54/91/04/938549104.db2.gz GXWDPIBZXFMHKY-SJORKVTESA-N 2 2 370.457 1.232 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739591 940041284 /nfs/dbraw/zinc/04/12/84/940041284.db2.gz GTHGUMSDHWNWTO-PKOBYXMFSA-N 2 2 370.501 1.947 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131013211 940444804 /nfs/dbraw/zinc/44/48/04/940444804.db2.gz XXFYKLJAPMCUKC-KURKYZTESA-N 2 2 368.485 1.421 20 30 FDEDLP C#C[C@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)[C@H]1CCCO1 ZINC000817779576 942946199 /nfs/dbraw/zinc/94/61/99/942946199.db2.gz CCSVEFNYALCKEQ-RBUKOAKNSA-N 2 2 362.518 1.369 20 30 FDEDLP C#C[C@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)[C@H]1CCCO1 ZINC000817779576 942946201 /nfs/dbraw/zinc/94/62/01/942946201.db2.gz CCSVEFNYALCKEQ-RBUKOAKNSA-N 2 2 362.518 1.369 20 30 FDEDLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NCCC#N)C2)ccn1 ZINC000856599347 971245092 /nfs/dbraw/zinc/24/50/92/971245092.db2.gz OPQSZQMEVCQMAS-SFHVURJKSA-N 2 2 359.474 1.405 20 30 FDEDLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NCCC#N)C2)ccn1 ZINC000856599347 971245098 /nfs/dbraw/zinc/24/50/98/971245098.db2.gz OPQSZQMEVCQMAS-SFHVURJKSA-N 2 2 359.474 1.405 20 30 FDEDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)NCCC#N)C2)ccn1 ZINC000856599347 971245102 /nfs/dbraw/zinc/24/51/02/971245102.db2.gz OPQSZQMEVCQMAS-SFHVURJKSA-N 2 2 359.474 1.405 20 30 FDEDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)NCCC#N)C2)ccn1 ZINC000856599347 971245107 /nfs/dbraw/zinc/24/51/07/971245107.db2.gz OPQSZQMEVCQMAS-SFHVURJKSA-N 2 2 359.474 1.405 20 30 FDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883373 953517907 /nfs/dbraw/zinc/51/79/07/953517907.db2.gz HNJSYFKWGWUNRX-SBHAEUEKSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883373 953517914 /nfs/dbraw/zinc/51/79/14/953517914.db2.gz HNJSYFKWGWUNRX-SBHAEUEKSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883373 953517922 /nfs/dbraw/zinc/51/79/22/953517922.db2.gz HNJSYFKWGWUNRX-SBHAEUEKSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883373 953517929 /nfs/dbraw/zinc/51/79/29/953517929.db2.gz HNJSYFKWGWUNRX-SBHAEUEKSA-N 2 2 359.514 1.291 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2 ZINC001092318846 954828016 /nfs/dbraw/zinc/82/80/16/954828016.db2.gz JYFRAOMTUUMAGX-KDOFPFPSSA-N 2 2 355.467 1.797 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001092318846 954828030 /nfs/dbraw/zinc/82/80/30/954828030.db2.gz JYFRAOMTUUMAGX-KDOFPFPSSA-N 2 2 355.467 1.797 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001093447676 958101840 /nfs/dbraw/zinc/10/18/40/958101840.db2.gz YLRYAWKEJLDSOP-YKCBXCCJSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001093448050 958104673 /nfs/dbraw/zinc/10/46/73/958104673.db2.gz CRISGLFOOUGMJC-IZBJGVDFSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001093448050 958104684 /nfs/dbraw/zinc/10/46/84/958104684.db2.gz CRISGLFOOUGMJC-IZBJGVDFSA-N 2 2 360.502 1.885 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001094166643 959954481 /nfs/dbraw/zinc/95/44/81/959954481.db2.gz IOTOVFWNTVODJX-RHSMWYFYSA-N 2 2 369.444 1.858 20 30 FDEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C[C@H]1C#N ZINC001172976292 961860108 /nfs/dbraw/zinc/86/01/08/961860108.db2.gz NLCJWMCAFXIEGE-HOTGVXAUSA-N 2 2 352.479 1.324 20 30 FDEDLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830568 963301121 /nfs/dbraw/zinc/30/11/21/963301121.db2.gz FPOMEVSLBOFEPR-WOJBJXKFSA-N 2 2 370.497 1.702 20 30 FDEDLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830568 963301126 /nfs/dbraw/zinc/30/11/26/963301126.db2.gz FPOMEVSLBOFEPR-WOJBJXKFSA-N 2 2 370.497 1.702 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661236 967836297 /nfs/dbraw/zinc/83/62/97/967836297.db2.gz NWXMCIAIKJWZJE-ZRNYENFQSA-N 2 2 359.514 1.765 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661236 967836310 /nfs/dbraw/zinc/83/63/10/967836310.db2.gz NWXMCIAIKJWZJE-ZRNYENFQSA-N 2 2 359.514 1.765 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110661236 967836322 /nfs/dbraw/zinc/83/63/22/967836322.db2.gz NWXMCIAIKJWZJE-ZRNYENFQSA-N 2 2 359.514 1.765 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110661236 967836332 /nfs/dbraw/zinc/83/63/32/967836332.db2.gz NWXMCIAIKJWZJE-ZRNYENFQSA-N 2 2 359.514 1.765 20 30 FDEDLP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198729389 973428657 /nfs/dbraw/zinc/42/86/57/973428657.db2.gz MXOIQQAKLYIRGG-NHCUHLMSSA-N 2 2 369.509 1.466 20 30 FDEDLP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001198729389 973428661 /nfs/dbraw/zinc/42/86/61/973428661.db2.gz MXOIQQAKLYIRGG-NHCUHLMSSA-N 2 2 369.509 1.466 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000866667412 975889054 /nfs/dbraw/zinc/88/90/54/975889054.db2.gz LKCDTDXHOLJUOC-RDGPPVDQSA-N 2 2 357.454 1.991 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000866667412 975889065 /nfs/dbraw/zinc/88/90/65/975889065.db2.gz LKCDTDXHOLJUOC-RDGPPVDQSA-N 2 2 357.454 1.991 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000866667413 975889574 /nfs/dbraw/zinc/88/95/74/975889574.db2.gz LKCDTDXHOLJUOC-VJANTYMQSA-N 2 2 357.454 1.991 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000866667413 975889588 /nfs/dbraw/zinc/88/95/88/975889588.db2.gz LKCDTDXHOLJUOC-VJANTYMQSA-N 2 2 357.454 1.991 20 30 FDEDLP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)n2c1 ZINC000883372368 982102070 /nfs/dbraw/zinc/10/20/70/982102070.db2.gz YJJRKOPRSAGRGZ-GOSISDBHSA-N 2 2 368.485 1.092 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000884044398 982748333 /nfs/dbraw/zinc/74/83/33/982748333.db2.gz GYQTUNXOSOJKRH-IBGZPJMESA-N 2 2 351.454 1.828 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000884044398 982748342 /nfs/dbraw/zinc/74/83/42/982748342.db2.gz GYQTUNXOSOJKRH-IBGZPJMESA-N 2 2 351.454 1.828 20 30 FDEDLP C[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000884319696 983081241 /nfs/dbraw/zinc/08/12/41/983081241.db2.gz BGOREZQGPULTGK-BHUKSZIXSA-N 2 2 374.435 1.966 20 30 FDEDLP C[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000884319696 983081254 /nfs/dbraw/zinc/08/12/54/983081254.db2.gz BGOREZQGPULTGK-BHUKSZIXSA-N 2 2 374.435 1.966 20 30 FDEDLP C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872359562 987619149 /nfs/dbraw/zinc/61/91/49/987619149.db2.gz IYLMFFBDDMEECQ-RTBURBONSA-N 2 2 371.485 1.592 20 30 FDEDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000371508494 990489193 /nfs/dbraw/zinc/48/91/93/990489193.db2.gz JUKMDHXWLOTZMY-PKOBYXMFSA-N 2 2 358.486 1.646 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000876895384 992954332 /nfs/dbraw/zinc/95/43/32/992954332.db2.gz ADCCXZWKMVGKEG-QGZVFWFLSA-N 2 2 364.877 1.759 20 30 FDEDLP C=CC[C@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000878089398 993698446 /nfs/dbraw/zinc/69/84/46/993698446.db2.gz FVYXXBHMCVGZSD-QGZVFWFLSA-N 2 2 351.491 1.370 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001095684504 994021062 /nfs/dbraw/zinc/02/10/62/994021062.db2.gz INKPZFJYJHXKFF-OWSLCNJRSA-N 2 2 372.513 1.123 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001095684504 994021071 /nfs/dbraw/zinc/02/10/71/994021071.db2.gz INKPZFJYJHXKFF-OWSLCNJRSA-N 2 2 372.513 1.123 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCc2cccc(C#N)c2)C1 ZINC000879434177 994910123 /nfs/dbraw/zinc/91/01/23/994910123.db2.gz DRKQDHNQQDXZQC-HXUWFJFHSA-N 2 2 372.513 1.506 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCc2cccc(C#N)c2)C1 ZINC000879434177 994910134 /nfs/dbraw/zinc/91/01/34/994910134.db2.gz DRKQDHNQQDXZQC-HXUWFJFHSA-N 2 2 372.513 1.506 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCc2cccc(C#N)c2)C1 ZINC000879434177 994910136 /nfs/dbraw/zinc/91/01/36/994910136.db2.gz DRKQDHNQQDXZQC-HXUWFJFHSA-N 2 2 372.513 1.506 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCc2cccc(C#N)c2)C1 ZINC000879434177 994910137 /nfs/dbraw/zinc/91/01/37/994910137.db2.gz DRKQDHNQQDXZQC-HXUWFJFHSA-N 2 2 372.513 1.506 20 30 FDEDLP C#CCC1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000887124645 996955000 /nfs/dbraw/zinc/95/50/00/996955000.db2.gz MXJBESQKGVYXOX-UHFFFAOYSA-N 2 2 356.470 1.282 20 30 FDEDLP C#CCC1(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000888014422 998020233 /nfs/dbraw/zinc/02/02/33/998020233.db2.gz FFLNMTFYPZWTOE-UHFFFAOYSA-N 2 2 362.518 1.417 20 30 FDEDLP O=c1[nH]ccc2c1C[NH+](CC#CC[N@@H+]1CCc3cc[nH]c(=O)c3C1)CC2 ZINC000284056003 999775681 /nfs/dbraw/zinc/77/56/81/999775681.db2.gz JWVDHNGPICJMEF-UHFFFAOYSA-N 2 2 350.422 1.308 20 30 FDEDLP O=c1[nH]ccc2c1C[NH+](CC#CC[N@H+]1CCc3cc[nH]c(=O)c3C1)CC2 ZINC000284056003 999775683 /nfs/dbraw/zinc/77/56/83/999775683.db2.gz JWVDHNGPICJMEF-UHFFFAOYSA-N 2 2 350.422 1.308 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000286698267 999946349 /nfs/dbraw/zinc/94/63/49/999946349.db2.gz PTHAKDAADXZLGF-WBVHZDCISA-N 2 2 359.474 1.059 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097158 1005924069 /nfs/dbraw/zinc/92/40/69/1005924069.db2.gz NEBKFNYPQGVFMM-MLHJIOFPSA-N 2 2 362.518 1.275 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097158 1005924070 /nfs/dbraw/zinc/92/40/70/1005924070.db2.gz NEBKFNYPQGVFMM-MLHJIOFPSA-N 2 2 362.518 1.275 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)cc1 ZINC000268394912 180070430 /nfs/dbraw/zinc/07/04/30/180070430.db2.gz LQLVLJTUXRSPTA-UHFFFAOYSA-N 2 2 374.452 1.828 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)cc1 ZINC000268394912 180070431 /nfs/dbraw/zinc/07/04/31/180070431.db2.gz LQLVLJTUXRSPTA-UHFFFAOYSA-N 2 2 374.452 1.828 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C(=O)OC)c3C#N)C2)CC1 ZINC000534471298 540371744 /nfs/dbraw/zinc/37/17/44/540371744.db2.gz DUXVOGAKSXITRI-KRWDZBQOSA-N 2 2 356.470 1.557 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(=O)OC)c3C#N)C2)CC1 ZINC000534471298 540371746 /nfs/dbraw/zinc/37/17/46/540371746.db2.gz DUXVOGAKSXITRI-KRWDZBQOSA-N 2 2 356.470 1.557 20 30 FDEDLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000278367329 258487470 /nfs/dbraw/zinc/48/74/70/258487470.db2.gz BWBGTCKBLHKEMA-RBUKOAKNSA-N 2 2 356.470 1.532 20 30 FDEDLP C=CCCCN(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000557236892 544267234 /nfs/dbraw/zinc/26/72/34/544267234.db2.gz IACVGNZAOIIRFU-UHFFFAOYSA-N 2 2 350.507 1.086 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000559424670 544679965 /nfs/dbraw/zinc/67/99/65/544679965.db2.gz CXBNUSVKFLIJOQ-UHFFFAOYSA-N 2 2 355.442 1.107 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332409585 259264647 /nfs/dbraw/zinc/26/46/47/259264647.db2.gz ZQTQTZGACVIROX-JXFKEZNVSA-N 2 2 370.497 1.873 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332409585 259264648 /nfs/dbraw/zinc/26/46/48/259264648.db2.gz ZQTQTZGACVIROX-JXFKEZNVSA-N 2 2 370.497 1.873 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2cccc(C#N)c2)C1 ZINC000046518185 522317530 /nfs/dbraw/zinc/31/75/30/522317530.db2.gz UCHHDASIFOOSRG-LJQANCHMSA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2cccc(C#N)c2)C1 ZINC000046518185 522317535 /nfs/dbraw/zinc/31/75/35/522317535.db2.gz UCHHDASIFOOSRG-LJQANCHMSA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000046518185 522317546 /nfs/dbraw/zinc/31/75/46/522317546.db2.gz UCHHDASIFOOSRG-LJQANCHMSA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000046518185 522317555 /nfs/dbraw/zinc/31/75/55/522317555.db2.gz UCHHDASIFOOSRG-LJQANCHMSA-N 2 2 358.486 1.463 20 30 FDEDLP CCC[NH+]1CCC(N2CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC2)CC1 ZINC000112358640 524468295 /nfs/dbraw/zinc/46/82/95/524468295.db2.gz VMWMPOSOHSBDJY-SFHVURJKSA-N 2 2 363.550 1.487 20 30 FDEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)c(C#N)c1C ZINC000174717119 524703440 /nfs/dbraw/zinc/70/34/40/524703440.db2.gz OHAVBYZICJJDMN-OAHLLOKOSA-N 2 2 361.490 1.664 20 30 FDEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)c(C#N)c1C ZINC000174717119 524703446 /nfs/dbraw/zinc/70/34/46/524703446.db2.gz OHAVBYZICJJDMN-OAHLLOKOSA-N 2 2 361.490 1.664 20 30 FDEDLP CC(C)(C#N)CCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000174871075 524771251 /nfs/dbraw/zinc/77/12/51/524771251.db2.gz COJAXYXOWIYARC-UHFFFAOYSA-N 2 2 358.490 1.765 20 30 FDEDLP C#CCOc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000162471848 525266541 /nfs/dbraw/zinc/26/65/41/525266541.db2.gz ALXCHDXUKYJOFT-UHFFFAOYSA-N 2 2 355.482 1.987 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000162567540 525280760 /nfs/dbraw/zinc/28/07/60/525280760.db2.gz BUPYYHVOILPVSQ-IBGZPJMESA-N 2 2 356.470 1.566 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000162567540 525280775 /nfs/dbraw/zinc/28/07/75/525280775.db2.gz BUPYYHVOILPVSQ-IBGZPJMESA-N 2 2 356.470 1.566 20 30 FDEDLP CS(=O)(=O)CCCO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000103136177 525328561 /nfs/dbraw/zinc/32/85/61/525328561.db2.gz MPODRZDOKXQRHG-UHFFFAOYSA-N 2 2 353.488 1.744 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000170904875 525761431 /nfs/dbraw/zinc/76/14/31/525761431.db2.gz WIQOYXPYRVZTFO-CQSZACIVSA-N 2 2 372.922 1.502 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000170904875 525761439 /nfs/dbraw/zinc/76/14/39/525761439.db2.gz WIQOYXPYRVZTFO-CQSZACIVSA-N 2 2 372.922 1.502 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CCC#N)CC(C)(C)C)C1 ZINC000109812567 526190225 /nfs/dbraw/zinc/19/02/25/526190225.db2.gz WSGYHBNWAHKYPM-KRWDZBQOSA-N 2 2 352.523 1.721 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CCC#N)CC(C)(C)C)C1 ZINC000109812567 526190231 /nfs/dbraw/zinc/19/02/31/526190231.db2.gz WSGYHBNWAHKYPM-KRWDZBQOSA-N 2 2 352.523 1.721 20 30 FDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CCC#N)CC(C)(C)C)C1 ZINC000109812567 526190239 /nfs/dbraw/zinc/19/02/39/526190239.db2.gz WSGYHBNWAHKYPM-KRWDZBQOSA-N 2 2 352.523 1.721 20 30 FDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)C1 ZINC000109812567 526190245 /nfs/dbraw/zinc/19/02/45/526190245.db2.gz WSGYHBNWAHKYPM-KRWDZBQOSA-N 2 2 352.523 1.721 20 30 FDEDLP Cc1nc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cc[nH+]1 ZINC000183797123 536051020 /nfs/dbraw/zinc/05/10/20/536051020.db2.gz CHJFAKHYQSDKGS-UHFFFAOYSA-N 2 2 350.426 1.808 20 30 FDEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000185816018 536218300 /nfs/dbraw/zinc/21/83/00/536218300.db2.gz XLTBGMWGNLPOEW-RCCFBDPRSA-N 2 2 370.501 1.954 20 30 FDEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188297639 536289115 /nfs/dbraw/zinc/28/91/15/536289115.db2.gz BXLORIBWXGGFND-LEWJYISDSA-N 2 2 370.497 1.364 20 30 FDEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188297639 536289116 /nfs/dbraw/zinc/28/91/16/536289116.db2.gz BXLORIBWXGGFND-LEWJYISDSA-N 2 2 370.497 1.364 20 30 FDEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188297639 536289117 /nfs/dbraw/zinc/28/91/17/536289117.db2.gz BXLORIBWXGGFND-LEWJYISDSA-N 2 2 370.497 1.364 20 30 FDEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188297639 536289118 /nfs/dbraw/zinc/28/91/18/536289118.db2.gz BXLORIBWXGGFND-LEWJYISDSA-N 2 2 370.497 1.364 20 30 FDEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188297617 536289205 /nfs/dbraw/zinc/28/92/05/536289205.db2.gz BXLORIBWXGGFND-NHCUHLMSSA-N 2 2 370.497 1.364 20 30 FDEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188297617 536289206 /nfs/dbraw/zinc/28/92/06/536289206.db2.gz BXLORIBWXGGFND-NHCUHLMSSA-N 2 2 370.497 1.364 20 30 FDEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188297617 536289207 /nfs/dbraw/zinc/28/92/07/536289207.db2.gz BXLORIBWXGGFND-NHCUHLMSSA-N 2 2 370.497 1.364 20 30 FDEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188297617 536289208 /nfs/dbraw/zinc/28/92/08/536289208.db2.gz BXLORIBWXGGFND-NHCUHLMSSA-N 2 2 370.497 1.364 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371265888 537797409 /nfs/dbraw/zinc/79/74/09/537797409.db2.gz GLFVZZMUYDFQFE-MSOLQXFVSA-N 2 2 369.513 1.845 20 30 FDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000577638459 550678712 /nfs/dbraw/zinc/67/87/12/550678712.db2.gz VXSCPGHORWZIKV-OAHLLOKOSA-N 2 2 370.457 1.397 20 30 FDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000577638459 550678713 /nfs/dbraw/zinc/67/87/13/550678713.db2.gz VXSCPGHORWZIKV-OAHLLOKOSA-N 2 2 370.457 1.397 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000590193175 551764196 /nfs/dbraw/zinc/76/41/96/551764196.db2.gz ICUJGRFCDSYLTE-QUCCMNQESA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000590193175 551764198 /nfs/dbraw/zinc/76/41/98/551764198.db2.gz ICUJGRFCDSYLTE-QUCCMNQESA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000590193175 551764199 /nfs/dbraw/zinc/76/41/99/551764199.db2.gz ICUJGRFCDSYLTE-QUCCMNQESA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000590193175 551764201 /nfs/dbraw/zinc/76/42/01/551764201.db2.gz ICUJGRFCDSYLTE-QUCCMNQESA-N 2 2 361.534 1.096 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(C#N)c(F)c3)C2)CC1 ZINC000590806465 551818915 /nfs/dbraw/zinc/81/89/15/551818915.db2.gz IIQPDAGWHVITDJ-INIZCTEOSA-N 2 2 359.449 1.665 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(C#N)c(F)c3)C2)CC1 ZINC000590806465 551818916 /nfs/dbraw/zinc/81/89/16/551818916.db2.gz IIQPDAGWHVITDJ-INIZCTEOSA-N 2 2 359.449 1.665 20 30 FDEDLP COc1cc(OC)cc([C@H](NC(=O)[C@H]([NH3+])CCCC#N)c2[nH+]ccn2C)c1 ZINC000591967308 551921434 /nfs/dbraw/zinc/92/14/34/551921434.db2.gz KURXZDQJKFDFTJ-SJORKVTESA-N 2 2 371.441 1.664 20 30 FDEDLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@](O)(CC#N)C3)CC2)cc1 ZINC000592148215 551949477 /nfs/dbraw/zinc/94/94/77/551949477.db2.gz WPEQHHOLFUFFRZ-NRFANRHFSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@](O)(CC#N)C3)CC2)cc1 ZINC000592148215 551949479 /nfs/dbraw/zinc/94/94/79/551949479.db2.gz WPEQHHOLFUFFRZ-NRFANRHFSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@](O)(CC#N)C3)CC2)cc1 ZINC000592148215 551949480 /nfs/dbraw/zinc/94/94/80/551949480.db2.gz WPEQHHOLFUFFRZ-NRFANRHFSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@](O)(CC#N)C3)CC2)cc1 ZINC000592148215 551949482 /nfs/dbraw/zinc/94/94/82/551949482.db2.gz WPEQHHOLFUFFRZ-NRFANRHFSA-N 2 2 370.497 1.380 20 30 FDEDLP N#CC[C@@]1(O)CC[NH+](Cc2cc(C[N@H+]3CC[C@](O)(CC#N)C3)ccc2F)C1 ZINC000592154517 551950957 /nfs/dbraw/zinc/95/09/57/551950957.db2.gz SDRPRZVVCRYGBB-WOJBJXKFSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@@]1(O)CC[NH+](Cc2cc(C[N@@H+]3CC[C@](O)(CC#N)C3)ccc2F)C1 ZINC000592154517 551950959 /nfs/dbraw/zinc/95/09/59/551950959.db2.gz SDRPRZVVCRYGBB-WOJBJXKFSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@@]1(O)CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592154517 551950960 /nfs/dbraw/zinc/95/09/60/551950960.db2.gz SDRPRZVVCRYGBB-WOJBJXKFSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@@]1(O)CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592154517 551950962 /nfs/dbraw/zinc/95/09/62/551950962.db2.gz SDRPRZVVCRYGBB-WOJBJXKFSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@]1(O)CC[N@H+](Cc2ccc(F)c(C[NH+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592154516 551951149 /nfs/dbraw/zinc/95/11/49/551951149.db2.gz SDRPRZVVCRYGBB-VQTJNVASSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592154516 551951151 /nfs/dbraw/zinc/95/11/51/551951151.db2.gz SDRPRZVVCRYGBB-VQTJNVASSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592154516 551951152 /nfs/dbraw/zinc/95/11/52/551951152.db2.gz SDRPRZVVCRYGBB-VQTJNVASSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592154516 551951154 /nfs/dbraw/zinc/95/11/54/551951154.db2.gz SDRPRZVVCRYGBB-VQTJNVASSA-N 2 2 372.444 1.527 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cnc12 ZINC000592504242 552002894 /nfs/dbraw/zinc/00/28/94/552002894.db2.gz RDNFKYTUKQUMEX-QZTJIDSGSA-N 2 2 354.458 1.458 20 30 FDEDLP N#Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2=O)cc1 ZINC000594500289 552326619 /nfs/dbraw/zinc/32/66/19/552326619.db2.gz MGXZNVRZDWZNEJ-PMACEKPBSA-N 2 2 368.481 1.502 20 30 FDEDLP N#CC[C@@H]1CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000595610283 552592091 /nfs/dbraw/zinc/59/20/91/552592091.db2.gz VPDSILKUFQMRDA-SFHVURJKSA-N 2 2 362.518 1.763 20 30 FDEDLP N#CC[C@@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000595610283 552592092 /nfs/dbraw/zinc/59/20/92/552592092.db2.gz VPDSILKUFQMRDA-SFHVURJKSA-N 2 2 362.518 1.763 20 30 FDEDLP COC(=O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000595819228 552619493 /nfs/dbraw/zinc/61/94/93/552619493.db2.gz DGDIPZACRVRWFP-FZDBZEDMSA-N 2 2 364.486 1.252 20 30 FDEDLP COC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000595819228 552619495 /nfs/dbraw/zinc/61/94/95/552619495.db2.gz DGDIPZACRVRWFP-FZDBZEDMSA-N 2 2 364.486 1.252 20 30 FDEDLP COC(=O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000595819228 552619496 /nfs/dbraw/zinc/61/94/96/552619496.db2.gz DGDIPZACRVRWFP-FZDBZEDMSA-N 2 2 364.486 1.252 20 30 FDEDLP COC(=O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000595819228 552619498 /nfs/dbraw/zinc/61/94/98/552619498.db2.gz DGDIPZACRVRWFP-FZDBZEDMSA-N 2 2 364.486 1.252 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000597990493 552853113 /nfs/dbraw/zinc/85/31/13/552853113.db2.gz XEKWLSGEFDRTPW-LJQANCHMSA-N 2 2 357.502 1.527 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000597990493 552853114 /nfs/dbraw/zinc/85/31/14/552853114.db2.gz XEKWLSGEFDRTPW-LJQANCHMSA-N 2 2 357.502 1.527 20 30 FDEDLP N#Cc1cccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000602530776 553599672 /nfs/dbraw/zinc/59/96/72/553599672.db2.gz QIVNNGJXLRALHL-UHFFFAOYSA-N 2 2 352.438 1.954 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000602847942 553649948 /nfs/dbraw/zinc/64/99/48/553649948.db2.gz LZDJMUMAWWCSJC-UHFFFAOYSA-N 2 2 371.466 1.334 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000602847942 553649949 /nfs/dbraw/zinc/64/99/49/553649949.db2.gz LZDJMUMAWWCSJC-UHFFFAOYSA-N 2 2 371.466 1.334 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000603269749 553748488 /nfs/dbraw/zinc/74/84/88/553748488.db2.gz ZCFFOEWDMQVGKO-UHFFFAOYSA-N 2 2 373.482 1.292 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000603269749 553748490 /nfs/dbraw/zinc/74/84/90/553748490.db2.gz ZCFFOEWDMQVGKO-UHFFFAOYSA-N 2 2 373.482 1.292 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000619723009 555826316 /nfs/dbraw/zinc/82/63/16/555826316.db2.gz SUKVQHFQNRBKME-UHFFFAOYSA-N 2 2 355.486 1.539 20 30 FDEDLP FC(F)[C@@H]1CC[NH+](CC#CC[N@@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634758411 558522951 /nfs/dbraw/zinc/52/29/51/558522951.db2.gz OGXCGKCKFLDCRK-KBPBESRZSA-N 2 2 352.372 1.702 20 30 FDEDLP FC(F)[C@@H]1CC[NH+](CC#CC[N@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634758411 558522954 /nfs/dbraw/zinc/52/29/54/558522954.db2.gz OGXCGKCKFLDCRK-KBPBESRZSA-N 2 2 352.372 1.702 20 30 FDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262778819 672847902 /nfs/dbraw/zinc/84/79/02/672847902.db2.gz KDUORMSHJNOZQI-ARFHVFGLSA-N 2 2 354.564 1.794 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000371600002 677735679 /nfs/dbraw/zinc/73/56/79/677735679.db2.gz SSSIMIFEUIAWSD-GOSISDBHSA-N 2 2 368.547 1.144 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000376327844 678275974 /nfs/dbraw/zinc/27/59/74/678275974.db2.gz NAJOQXVPPVWCKV-AEFFLSMTSA-N 2 2 350.507 1.532 20 30 FDEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347460 680434444 /nfs/dbraw/zinc/43/44/44/680434444.db2.gz GTIVYWJKAMIEJW-INIZCTEOSA-N 2 2 360.527 1.883 20 30 FDEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347460 680434446 /nfs/dbraw/zinc/43/44/46/680434446.db2.gz GTIVYWJKAMIEJW-INIZCTEOSA-N 2 2 360.527 1.883 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437934035 681823123 /nfs/dbraw/zinc/82/31/23/681823123.db2.gz PCOIMMGDEKZVLU-AEFFLSMTSA-N 2 2 352.523 1.635 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437934035 681823133 /nfs/dbraw/zinc/82/31/33/681823133.db2.gz PCOIMMGDEKZVLU-AEFFLSMTSA-N 2 2 352.523 1.635 20 30 FDEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489909136 687121405 /nfs/dbraw/zinc/12/14/05/687121405.db2.gz STDNMRHAYOXHSB-IRXDYDNUSA-N 2 2 362.543 1.631 20 30 FDEDLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@@H]2C1 ZINC001164852108 720869996 /nfs/dbraw/zinc/86/99/96/720869996.db2.gz CBQHXMHWSMBLAX-PBHICJAKSA-N 2 2 355.442 1.608 20 30 FDEDLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@@H]2C1 ZINC001164852108 720869999 /nfs/dbraw/zinc/86/99/99/720869999.db2.gz CBQHXMHWSMBLAX-PBHICJAKSA-N 2 2 355.442 1.608 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001022734052 782766759 /nfs/dbraw/zinc/76/67/59/782766759.db2.gz IMOOLWICDMIAQA-YYIAUSFCSA-N 2 2 367.428 1.971 20 30 FDEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193721 771201290 /nfs/dbraw/zinc/20/12/90/771201290.db2.gz FVOHNPMATZYBPA-FRQCXROJSA-N 2 2 351.466 1.134 20 30 FDEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193721 771201301 /nfs/dbraw/zinc/20/13/01/771201301.db2.gz FVOHNPMATZYBPA-FRQCXROJSA-N 2 2 351.466 1.134 20 30 FDEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193721 771201308 /nfs/dbraw/zinc/20/13/08/771201308.db2.gz FVOHNPMATZYBPA-FRQCXROJSA-N 2 2 351.466 1.134 20 30 FDEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193721 771201313 /nfs/dbraw/zinc/20/13/13/771201313.db2.gz FVOHNPMATZYBPA-FRQCXROJSA-N 2 2 351.466 1.134 20 30 FDEDLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC001083195893 771422172 /nfs/dbraw/zinc/42/21/72/771422172.db2.gz UKMJBTHQEPZBAC-SLFFLAALSA-N 2 2 355.482 1.290 20 30 FDEDLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC001083195893 771422176 /nfs/dbraw/zinc/42/21/76/771422176.db2.gz UKMJBTHQEPZBAC-SLFFLAALSA-N 2 2 355.482 1.290 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2csnn2)C1 ZINC001104305976 774436799 /nfs/dbraw/zinc/43/67/99/774436799.db2.gz DAYDWPJBDJWARL-INMHGKMJSA-N 2 2 361.515 1.210 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2csnn2)C1 ZINC001104305976 774436805 /nfs/dbraw/zinc/43/68/05/774436805.db2.gz DAYDWPJBDJWARL-INMHGKMJSA-N 2 2 361.515 1.210 20 30 FDEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024571604 785295736 /nfs/dbraw/zinc/29/57/36/785295736.db2.gz HPEHUQWDOMETMB-KURKYZTESA-N 2 2 351.491 1.023 20 30 FDEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024571604 785295741 /nfs/dbraw/zinc/29/57/41/785295741.db2.gz HPEHUQWDOMETMB-KURKYZTESA-N 2 2 351.491 1.023 20 30 FDEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024571944 785303409 /nfs/dbraw/zinc/30/34/09/785303409.db2.gz MJUUHFNLMAOYRU-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024571944 785303415 /nfs/dbraw/zinc/30/34/15/785303415.db2.gz MJUUHFNLMAOYRU-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)cc1 ZINC000415994174 793469914 /nfs/dbraw/zinc/46/99/14/793469914.db2.gz KURLOWFLKSIVJD-HNNXBMFYSA-N 2 2 369.391 1.665 20 30 FDEDLP CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364142395 795273474 /nfs/dbraw/zinc/27/34/74/795273474.db2.gz KYLSUKXLDXGXBK-GOSISDBHSA-N 2 2 369.469 1.124 20 30 FDEDLP CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364142395 795273478 /nfs/dbraw/zinc/27/34/78/795273478.db2.gz KYLSUKXLDXGXBK-GOSISDBHSA-N 2 2 369.469 1.124 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974879057 800472839 /nfs/dbraw/zinc/47/28/39/800472839.db2.gz NCRBVBRCQQYMBG-FGTMMUONSA-N 2 2 365.518 1.269 20 30 FDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974879057 800472843 /nfs/dbraw/zinc/47/28/43/800472843.db2.gz NCRBVBRCQQYMBG-FGTMMUONSA-N 2 2 365.518 1.269 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001087453533 810044078 /nfs/dbraw/zinc/04/40/78/810044078.db2.gz YZGJDWWQZLEYML-GUDVDZBRSA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001087453533 810044079 /nfs/dbraw/zinc/04/40/79/810044079.db2.gz YZGJDWWQZLEYML-GUDVDZBRSA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087453533 810044082 /nfs/dbraw/zinc/04/40/82/810044082.db2.gz YZGJDWWQZLEYML-GUDVDZBRSA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087453533 810044086 /nfs/dbraw/zinc/04/40/86/810044086.db2.gz YZGJDWWQZLEYML-GUDVDZBRSA-N 2 2 361.461 1.616 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261663513 811293625 /nfs/dbraw/zinc/29/36/25/811293625.db2.gz BALWQFMZRXGCOY-GOEBONIOSA-N 2 2 358.494 1.341 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262004583 811364782 /nfs/dbraw/zinc/36/47/82/811364782.db2.gz VGWRFSJVQDFTRC-KBXCAEBGSA-N 3 2 367.501 1.723 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262004583 811364794 /nfs/dbraw/zinc/36/47/94/811364794.db2.gz VGWRFSJVQDFTRC-KBXCAEBGSA-N 3 2 367.501 1.723 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)[C@@H]1CC ZINC001087607295 821716650 /nfs/dbraw/zinc/71/66/50/821716650.db2.gz WOSCNLCBLGFFSQ-OTWHNJEPSA-N 2 2 357.502 1.029 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccnn2C)[C@@H]1CC ZINC001087607295 821716653 /nfs/dbraw/zinc/71/66/53/821716653.db2.gz WOSCNLCBLGFFSQ-OTWHNJEPSA-N 2 2 357.502 1.029 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccnn2C)[C@@H]1CC ZINC001087607295 821716659 /nfs/dbraw/zinc/71/66/59/821716659.db2.gz WOSCNLCBLGFFSQ-OTWHNJEPSA-N 2 2 357.502 1.029 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccnn2C)[C@@H]1CC ZINC001087607295 821716662 /nfs/dbraw/zinc/71/66/62/821716662.db2.gz WOSCNLCBLGFFSQ-OTWHNJEPSA-N 2 2 357.502 1.029 20 30 FDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668224 821968694 /nfs/dbraw/zinc/96/86/94/821968694.db2.gz JVNCCLGSGZEHQY-HCXYKTFWSA-N 2 2 365.518 1.411 20 30 FDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668224 821968698 /nfs/dbraw/zinc/96/86/98/821968698.db2.gz JVNCCLGSGZEHQY-HCXYKTFWSA-N 2 2 365.518 1.411 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)o3)[C@@H]2CC)CC1 ZINC001087840151 822559236 /nfs/dbraw/zinc/55/92/36/822559236.db2.gz KEIRNIRAOIIPLM-ZWKOTPCHSA-N 2 2 358.486 1.797 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)o3)[C@@H]2CC)CC1 ZINC001087840151 822559238 /nfs/dbraw/zinc/55/92/38/822559238.db2.gz KEIRNIRAOIIPLM-ZWKOTPCHSA-N 2 2 358.486 1.797 20 30 FDEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC1CCN(C(C)=O)CC1 ZINC000262235111 822614464 /nfs/dbraw/zinc/61/44/64/822614464.db2.gz MYMSOUDDVWVJFB-UHFFFAOYSA-N 2 2 360.506 1.328 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)nc3)CC[C@@H]2C1 ZINC001087997913 825073245 /nfs/dbraw/zinc/07/32/45/825073245.db2.gz GRUYPYQVAWJUGP-AABGKKOBSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnc(C)nc3)CC[C@@H]2C1 ZINC001087997913 825073255 /nfs/dbraw/zinc/07/32/55/825073255.db2.gz GRUYPYQVAWJUGP-AABGKKOBSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnc(C)nc3)CC[C@@H]2C1 ZINC001087997913 825073267 /nfs/dbraw/zinc/07/32/67/825073267.db2.gz GRUYPYQVAWJUGP-AABGKKOBSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnc(C)nc3)CC[C@@H]2C1 ZINC001087997913 825073273 /nfs/dbraw/zinc/07/32/73/825073273.db2.gz GRUYPYQVAWJUGP-AABGKKOBSA-N 2 2 367.497 1.163 20 30 FDEDLP Cn1cc(C[N@@H+]2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000330274103 825784309 /nfs/dbraw/zinc/78/43/09/825784309.db2.gz JOWXCDNUYIDXMH-INIZCTEOSA-N 2 2 357.462 1.053 20 30 FDEDLP Cn1cc(C[N@H+]2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000330274103 825784312 /nfs/dbraw/zinc/78/43/12/825784312.db2.gz JOWXCDNUYIDXMH-INIZCTEOSA-N 2 2 357.462 1.053 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)O1 ZINC001075943623 841050366 /nfs/dbraw/zinc/05/03/66/841050366.db2.gz ZBCYGKUPQZITGQ-XWPNQZOQSA-N 2 2 368.481 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)O1 ZINC001075943623 841050373 /nfs/dbraw/zinc/05/03/73/841050373.db2.gz ZBCYGKUPQZITGQ-XWPNQZOQSA-N 2 2 368.481 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)O1 ZINC001075943623 841050384 /nfs/dbraw/zinc/05/03/84/841050384.db2.gz ZBCYGKUPQZITGQ-XWPNQZOQSA-N 2 2 368.481 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)O1 ZINC001075943623 841050392 /nfs/dbraw/zinc/05/03/92/841050392.db2.gz ZBCYGKUPQZITGQ-XWPNQZOQSA-N 2 2 368.481 1.310 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105637239 842271045 /nfs/dbraw/zinc/27/10/45/842271045.db2.gz LWEAXSPLDDNMIH-IZBJGVDFSA-N 2 2 358.486 1.332 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105637239 842271053 /nfs/dbraw/zinc/27/10/53/842271053.db2.gz LWEAXSPLDDNMIH-IZBJGVDFSA-N 2 2 358.486 1.332 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673698 845414071 /nfs/dbraw/zinc/41/40/71/845414071.db2.gz OEMIMBJVJBFWOO-JYBIWHBTSA-N 2 2 360.502 1.815 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088814632 845545324 /nfs/dbraw/zinc/54/53/24/845545324.db2.gz CGNJBRPZCDJUEX-LSTHTHJFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088814632 845545333 /nfs/dbraw/zinc/54/53/33/845545333.db2.gz CGNJBRPZCDJUEX-LSTHTHJFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088814632 845545340 /nfs/dbraw/zinc/54/53/40/845545340.db2.gz CGNJBRPZCDJUEX-LSTHTHJFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088814632 845545352 /nfs/dbraw/zinc/54/53/52/845545352.db2.gz CGNJBRPZCDJUEX-LSTHTHJFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083524519 846266840 /nfs/dbraw/zinc/26/68/40/846266840.db2.gz XZQCIIQRLUIRSW-ZCNNSNEGSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083524519 846266848 /nfs/dbraw/zinc/26/68/48/846266848.db2.gz XZQCIIQRLUIRSW-ZCNNSNEGSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083524519 846266853 /nfs/dbraw/zinc/26/68/53/846266853.db2.gz XZQCIIQRLUIRSW-ZCNNSNEGSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083524519 846266862 /nfs/dbraw/zinc/26/68/62/846266862.db2.gz XZQCIIQRLUIRSW-ZCNNSNEGSA-N 2 2 370.497 1.482 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076344917 847919274 /nfs/dbraw/zinc/91/92/74/847919274.db2.gz GGKSDTTWSFRUQH-GOEBONIOSA-N 2 2 351.882 1.344 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076344917 847919277 /nfs/dbraw/zinc/91/92/77/847919277.db2.gz GGKSDTTWSFRUQH-GOEBONIOSA-N 2 2 351.882 1.344 20 30 FDEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127608 849833571 /nfs/dbraw/zinc/83/35/71/849833571.db2.gz BNNRNXHXMFJTQQ-PWRODBHTSA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127608 849833581 /nfs/dbraw/zinc/83/35/81/849833581.db2.gz BNNRNXHXMFJTQQ-PWRODBHTSA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127608 849833585 /nfs/dbraw/zinc/83/35/85/849833585.db2.gz BNNRNXHXMFJTQQ-PWRODBHTSA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127608 849833593 /nfs/dbraw/zinc/83/35/93/849833593.db2.gz BNNRNXHXMFJTQQ-PWRODBHTSA-N 2 2 369.509 1.177 20 30 FDEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668619193 854564863 /nfs/dbraw/zinc/56/48/63/854564863.db2.gz ZVWVBXKYPNHZHO-ZWKOTPCHSA-N 2 2 350.507 1.084 20 30 FDEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668619193 854564867 /nfs/dbraw/zinc/56/48/67/854564867.db2.gz ZVWVBXKYPNHZHO-ZWKOTPCHSA-N 2 2 350.507 1.084 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001088981533 865908136 /nfs/dbraw/zinc/90/81/36/865908136.db2.gz ZQKMAOSRDJPBSV-BEFAXECRSA-N 2 2 367.453 1.644 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001088981533 865908141 /nfs/dbraw/zinc/90/81/41/865908141.db2.gz ZQKMAOSRDJPBSV-BEFAXECRSA-N 2 2 367.453 1.644 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000913926530 870028219 /nfs/dbraw/zinc/02/82/19/870028219.db2.gz FTTFGABWAKOESG-UHFFFAOYSA-N 2 2 370.497 1.416 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672781952 871707382 /nfs/dbraw/zinc/70/73/82/871707382.db2.gz UFSQKSZGVJLYMO-FUHWJXTLSA-N 2 2 364.534 1.474 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672781952 871707391 /nfs/dbraw/zinc/70/73/91/871707391.db2.gz UFSQKSZGVJLYMO-FUHWJXTLSA-N 2 2 364.534 1.474 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000914323752 872364703 /nfs/dbraw/zinc/36/47/03/872364703.db2.gz YXAJWSIIFLJMMV-UHFFFAOYSA-N 2 2 352.442 1.473 20 30 FDEDLP CNC(=O)CC1CCN(C(NCCc2cn3c([nH+]2)CCCC3)=[NH+]C)CC1 ZINC000153037135 873474741 /nfs/dbraw/zinc/47/47/41/873474741.db2.gz CCSPCFSKCOBFKF-UHFFFAOYSA-N 2 2 360.506 1.185 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106343212 874853121 /nfs/dbraw/zinc/85/31/21/874853121.db2.gz UWSJPNYARBQSCZ-DJIMGWMZSA-N 2 2 358.486 1.157 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106343212 874853131 /nfs/dbraw/zinc/85/31/31/874853131.db2.gz UWSJPNYARBQSCZ-DJIMGWMZSA-N 2 2 358.486 1.157 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419405 875203956 /nfs/dbraw/zinc/20/39/56/875203956.db2.gz JPPXBOGVZMSXMX-BZUAXINKSA-N 2 2 369.469 1.323 20 30 FDEDLP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106499028 875716570 /nfs/dbraw/zinc/71/65/70/875716570.db2.gz XTXVWRRWRCALLU-TZMCWYRMSA-N 2 2 355.280 1.866 20 30 FDEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001005754801 885495155 /nfs/dbraw/zinc/49/51/55/885495155.db2.gz BKLROLGWMFTDFW-MOPGFXCFSA-N 2 2 365.518 1.365 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129049014 885538416 /nfs/dbraw/zinc/53/84/16/885538416.db2.gz OINJJJPXHVRIKH-OIISXLGYSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129049014 885538421 /nfs/dbraw/zinc/53/84/21/885538421.db2.gz OINJJJPXHVRIKH-OIISXLGYSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129049014 885538437 /nfs/dbraw/zinc/53/84/37/885538437.db2.gz OINJJJPXHVRIKH-OIISXLGYSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129049014 885538446 /nfs/dbraw/zinc/53/84/46/885538446.db2.gz OINJJJPXHVRIKH-OIISXLGYSA-N 2 2 357.462 1.330 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CC[N@@H+]1C ZINC001031683807 887447845 /nfs/dbraw/zinc/44/78/45/887447845.db2.gz AAQMKHDWDKSEPR-PKOBYXMFSA-N 2 2 358.461 1.976 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CC[N@H+]1C ZINC001031683807 887447847 /nfs/dbraw/zinc/44/78/47/887447847.db2.gz AAQMKHDWDKSEPR-PKOBYXMFSA-N 2 2 358.461 1.976 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656191566 899011150 /nfs/dbraw/zinc/01/11/50/899011150.db2.gz AZJHDJHERBHLOU-KURKYZTESA-N 2 2 350.507 1.530 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656191566 899011160 /nfs/dbraw/zinc/01/11/60/899011160.db2.gz AZJHDJHERBHLOU-KURKYZTESA-N 2 2 350.507 1.530 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083129027 901858349 /nfs/dbraw/zinc/85/83/49/901858349.db2.gz TZHPPPFWRUPAPO-KRWDZBQOSA-N 3 2 363.550 1.423 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083129027 901858357 /nfs/dbraw/zinc/85/83/57/901858357.db2.gz TZHPPPFWRUPAPO-KRWDZBQOSA-N 3 2 363.550 1.423 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001079135655 902001573 /nfs/dbraw/zinc/00/15/73/902001573.db2.gz FRPMWMHKHMNGKK-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001079135655 902001582 /nfs/dbraw/zinc/00/15/82/902001582.db2.gz FRPMWMHKHMNGKK-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001079135655 902001591 /nfs/dbraw/zinc/00/15/91/902001591.db2.gz FRPMWMHKHMNGKK-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001079135655 902001599 /nfs/dbraw/zinc/00/15/99/902001599.db2.gz FRPMWMHKHMNGKK-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CC)C[C@H]1O ZINC001079136770 902005870 /nfs/dbraw/zinc/00/58/70/902005870.db2.gz BIGPCILNTVAEFI-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CC)C[C@H]1O ZINC001079136770 902005883 /nfs/dbraw/zinc/00/58/83/902005883.db2.gz BIGPCILNTVAEFI-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CC)C[C@H]1O ZINC001079136770 902005892 /nfs/dbraw/zinc/00/58/92/902005892.db2.gz BIGPCILNTVAEFI-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CC)C[C@H]1O ZINC001079136770 902005903 /nfs/dbraw/zinc/00/59/03/902005903.db2.gz BIGPCILNTVAEFI-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079138119 902017221 /nfs/dbraw/zinc/01/72/21/902017221.db2.gz OTABNLFCUIZXPP-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079138119 902017232 /nfs/dbraw/zinc/01/72/32/902017232.db2.gz OTABNLFCUIZXPP-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001079138119 902017245 /nfs/dbraw/zinc/01/72/45/902017245.db2.gz OTABNLFCUIZXPP-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079138119 902017255 /nfs/dbraw/zinc/01/72/55/902017255.db2.gz OTABNLFCUIZXPP-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248068 902262892 /nfs/dbraw/zinc/26/28/92/902262892.db2.gz GNCMMQJOJJDAOS-FGTMMUONSA-N 2 2 370.497 1.571 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248266 902263877 /nfs/dbraw/zinc/26/38/77/902263877.db2.gz OWFWJODLCHDJSF-QFBILLFUSA-N 2 2 364.449 1.749 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265625 902312666 /nfs/dbraw/zinc/31/26/66/902312666.db2.gz STENEOUOGCVLHY-NZSAHSFTSA-N 2 2 370.497 1.551 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265625 902312675 /nfs/dbraw/zinc/31/26/75/902312675.db2.gz STENEOUOGCVLHY-NZSAHSFTSA-N 2 2 370.497 1.551 20 30 FDEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3F)C[C@H]2C)C1 ZINC001080446252 905448588 /nfs/dbraw/zinc/44/85/88/905448588.db2.gz FQWMAXAUPQGBEY-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3F)C[C@H]2C)C1 ZINC001080446252 905448600 /nfs/dbraw/zinc/44/86/00/905448600.db2.gz FQWMAXAUPQGBEY-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)C1 ZINC001080446252 905448609 /nfs/dbraw/zinc/44/86/09/905448609.db2.gz FQWMAXAUPQGBEY-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)C1 ZINC001080446252 905448619 /nfs/dbraw/zinc/44/86/19/905448619.db2.gz FQWMAXAUPQGBEY-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138216 905958157 /nfs/dbraw/zinc/95/81/57/905958157.db2.gz UESOGBFVOVCYSN-RTBURBONSA-N 2 2 370.497 1.606 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138216 905958161 /nfs/dbraw/zinc/95/81/61/905958161.db2.gz UESOGBFVOVCYSN-RTBURBONSA-N 2 2 370.497 1.606 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082138216 905958169 /nfs/dbraw/zinc/95/81/69/905958169.db2.gz UESOGBFVOVCYSN-RTBURBONSA-N 2 2 370.497 1.606 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082138216 905958172 /nfs/dbraw/zinc/95/81/72/905958172.db2.gz UESOGBFVOVCYSN-RTBURBONSA-N 2 2 370.497 1.606 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)CC1 ZINC001080998151 906975597 /nfs/dbraw/zinc/97/55/97/906975597.db2.gz VALXBSDUYZGOBX-DNVCBOLYSA-N 2 2 357.502 1.010 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)C[C@H]2C)CC1 ZINC001080998151 906975601 /nfs/dbraw/zinc/97/56/01/906975601.db2.gz VALXBSDUYZGOBX-DNVCBOLYSA-N 2 2 357.502 1.010 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601358 908967500 /nfs/dbraw/zinc/96/75/00/908967500.db2.gz XXPRFVWBQKCNKA-OSAQELSMSA-N 2 2 367.291 1.791 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409452 911771685 /nfs/dbraw/zinc/77/16/85/911771685.db2.gz GEVNLMNUYASWCX-GUDVDZBRSA-N 2 2 356.470 1.214 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409452 911771695 /nfs/dbraw/zinc/77/16/95/911771695.db2.gz GEVNLMNUYASWCX-GUDVDZBRSA-N 2 2 356.470 1.214 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946441 918660657 /nfs/dbraw/zinc/66/06/57/918660657.db2.gz LJBOCAJHURJONR-MNEFBYGVSA-N 2 2 355.486 1.736 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946441 918660665 /nfs/dbraw/zinc/66/06/65/918660665.db2.gz LJBOCAJHURJONR-MNEFBYGVSA-N 2 2 355.486 1.736 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946441 918660669 /nfs/dbraw/zinc/66/06/69/918660669.db2.gz LJBOCAJHURJONR-MNEFBYGVSA-N 2 2 355.486 1.736 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946441 918660676 /nfs/dbraw/zinc/66/06/76/918660676.db2.gz LJBOCAJHURJONR-MNEFBYGVSA-N 2 2 355.486 1.736 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(OC)n1 ZINC001085230064 922984910 /nfs/dbraw/zinc/98/49/10/922984910.db2.gz ZQRWIMJZYLUAEC-KURKYZTESA-N 2 2 371.485 1.100 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(OC)n1 ZINC001085230064 922984918 /nfs/dbraw/zinc/98/49/18/922984918.db2.gz ZQRWIMJZYLUAEC-KURKYZTESA-N 2 2 371.485 1.100 20 30 FDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001085406258 924483144 /nfs/dbraw/zinc/48/31/44/924483144.db2.gz XAGXMAHZMRUMSF-OAGGEKHMSA-N 2 2 359.474 1.065 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129322373 925209736 /nfs/dbraw/zinc/20/97/36/925209736.db2.gz UPEUUIBKLBMWHT-SJORKVTESA-N 2 2 357.462 1.181 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109709510 930183635 /nfs/dbraw/zinc/18/36/35/930183635.db2.gz NFOHQSPMANDODG-TWMKSMIVSA-N 2 2 350.507 1.131 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109709510 930183638 /nfs/dbraw/zinc/18/36/38/930183638.db2.gz NFOHQSPMANDODG-TWMKSMIVSA-N 2 2 350.507 1.131 20 30 FDEDLP Cn1ncc2c1nc(N[NH+]=Cc1ccc(N3CC[NH+](C)CC3)cc1)[nH]c2=O ZINC000771559669 930740593 /nfs/dbraw/zinc/74/05/93/930740593.db2.gz KQPBAVUVBUQGMI-UHFFFAOYSA-N 2 2 366.429 1.267 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001130672457 939971456 /nfs/dbraw/zinc/97/14/56/939971456.db2.gz PVXBHUQFMQDFFU-RLFYNMQTSA-N 2 2 366.469 1.171 20 30 FDEDLP C#CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000808304746 940539377 /nfs/dbraw/zinc/53/93/77/940539377.db2.gz QYXLFSJHMBCCQB-MSOLQXFVSA-N 2 2 355.548 1.609 20 30 FDEDLP C#CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000808304746 940539379 /nfs/dbraw/zinc/53/93/79/940539379.db2.gz QYXLFSJHMBCCQB-MSOLQXFVSA-N 2 2 355.548 1.609 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001131522373 940705464 /nfs/dbraw/zinc/70/54/64/940705464.db2.gz DSLCHNFQDJLZEZ-NSHGMRRFSA-N 2 2 370.497 1.455 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001131564572 940740552 /nfs/dbraw/zinc/74/05/52/940740552.db2.gz PNNSQRGCOSHHGC-MLYOOKFZSA-N 2 2 370.497 1.533 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000817656116 942864231 /nfs/dbraw/zinc/86/42/31/942864231.db2.gz AODMPDGQWFEZAF-FQEVSTJZSA-N 2 2 370.497 1.610 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000817656116 942864234 /nfs/dbraw/zinc/86/42/34/942864234.db2.gz AODMPDGQWFEZAF-FQEVSTJZSA-N 2 2 370.497 1.610 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c2[nH]cc(CC(=O)OC)c21 ZINC001171075024 947025573 /nfs/dbraw/zinc/02/55/73/947025573.db2.gz LTHOQAZXWRUOQH-AWEZNQCLSA-N 2 2 374.441 1.917 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccc(OC)cc1 ZINC001090884590 947646075 /nfs/dbraw/zinc/64/60/75/947646075.db2.gz WVKHUHBONZCQOJ-VQTJNVASSA-N 2 2 366.465 1.579 20 30 FDEDLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cncc(C#N)c3)CC[C@@H]21 ZINC001144080595 948201551 /nfs/dbraw/zinc/20/15/51/948201551.db2.gz RMTVHFVOSRIORV-AABGKKOBSA-N 2 2 365.485 1.918 20 30 FDEDLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cncc(C#N)c3)CC[C@@H]21 ZINC001144080595 948201562 /nfs/dbraw/zinc/20/15/62/948201562.db2.gz RMTVHFVOSRIORV-AABGKKOBSA-N 2 2 365.485 1.918 20 30 FDEDLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cncc(C#N)c3)CC[C@@H]21 ZINC001144080595 948201569 /nfs/dbraw/zinc/20/15/69/948201569.db2.gz RMTVHFVOSRIORV-AABGKKOBSA-N 2 2 365.485 1.918 20 30 FDEDLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cncc(C#N)c3)CC[C@@H]21 ZINC001144080595 948201582 /nfs/dbraw/zinc/20/15/82/948201582.db2.gz RMTVHFVOSRIORV-AABGKKOBSA-N 2 2 365.485 1.918 20 30 FDEDLP C=CCc1cc(OCC)cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000844714099 948322064 /nfs/dbraw/zinc/32/20/64/948322064.db2.gz ILDXLOMTPJURDE-UHFFFAOYSA-N 2 2 361.486 1.725 20 30 FDEDLP C=CCc1cc(OCC)cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000844714099 948322075 /nfs/dbraw/zinc/32/20/75/948322075.db2.gz ILDXLOMTPJURDE-UHFFFAOYSA-N 2 2 361.486 1.725 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000846444345 951122416 /nfs/dbraw/zinc/12/24/16/951122416.db2.gz UQSZLKCLMZYSTL-ACRUOGEOSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000846444345 951122421 /nfs/dbraw/zinc/12/24/21/951122421.db2.gz UQSZLKCLMZYSTL-ACRUOGEOSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000846444345 951122429 /nfs/dbraw/zinc/12/24/29/951122429.db2.gz UQSZLKCLMZYSTL-ACRUOGEOSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000846444345 951122433 /nfs/dbraw/zinc/12/24/33/951122433.db2.gz UQSZLKCLMZYSTL-ACRUOGEOSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1c1cnn(C)c1 ZINC001086978951 952991768 /nfs/dbraw/zinc/99/17/68/952991768.db2.gz AKPTYYAFIGDWGO-ZWKOTPCHSA-N 2 2 362.437 1.207 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC001092317296 954822998 /nfs/dbraw/zinc/82/29/98/954822998.db2.gz PJYAEEMKEFARRC-NQIIRXRSSA-N 2 2 366.440 1.854 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC001092317296 954823007 /nfs/dbraw/zinc/82/30/07/954823007.db2.gz PJYAEEMKEFARRC-NQIIRXRSSA-N 2 2 366.440 1.854 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092291770 954888385 /nfs/dbraw/zinc/88/83/85/954888385.db2.gz JSZKOZNUWIYVLX-SBHAEUEKSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092291770 954888399 /nfs/dbraw/zinc/88/83/99/954888399.db2.gz JSZKOZNUWIYVLX-SBHAEUEKSA-N 2 2 361.530 1.844 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001092689295 956194393 /nfs/dbraw/zinc/19/43/93/956194393.db2.gz HTUMQIKRJWWUPZ-NUJGCVRESA-N 2 2 358.486 1.519 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001092689295 956194400 /nfs/dbraw/zinc/19/44/00/956194400.db2.gz HTUMQIKRJWWUPZ-NUJGCVRESA-N 2 2 358.486 1.519 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ncc(CC)o2)C[C@H]1C ZINC001092689295 956194408 /nfs/dbraw/zinc/19/44/08/956194408.db2.gz HTUMQIKRJWWUPZ-NUJGCVRESA-N 2 2 358.486 1.519 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ncc(CC)o2)C[C@H]1C ZINC001092689295 956194412 /nfs/dbraw/zinc/19/44/12/956194412.db2.gz HTUMQIKRJWWUPZ-NUJGCVRESA-N 2 2 358.486 1.519 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093474620 958249021 /nfs/dbraw/zinc/24/90/21/958249021.db2.gz SWFAMLZMCNFNDU-MXHNKVEKSA-N 2 2 358.486 1.287 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094132567 959856275 /nfs/dbraw/zinc/85/62/75/959856275.db2.gz LPWHKHZAFLVEQJ-CZUORRHYSA-N 2 2 355.417 1.847 20 30 FDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCC[NH+]3CC3CCC3)CCC[C@@H]12 ZINC001094477970 960651230 /nfs/dbraw/zinc/65/12/30/960651230.db2.gz NLKXHMHQBQXNMH-QKNQBKEWSA-N 2 2 359.514 1.481 20 30 FDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCC[NH+]3CC3CCC3)CCC[C@@H]12 ZINC001094477970 960651243 /nfs/dbraw/zinc/65/12/43/960651243.db2.gz NLKXHMHQBQXNMH-QKNQBKEWSA-N 2 2 359.514 1.481 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)CCC[C@@H]12 ZINC001094477970 960651251 /nfs/dbraw/zinc/65/12/51/960651251.db2.gz NLKXHMHQBQXNMH-QKNQBKEWSA-N 2 2 359.514 1.481 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3COCC[N@H+]3CC3CCC3)CCC[C@@H]12 ZINC001094477970 960651258 /nfs/dbraw/zinc/65/12/58/960651258.db2.gz NLKXHMHQBQXNMH-QKNQBKEWSA-N 2 2 359.514 1.481 20 30 FDEDLP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426580 962136053 /nfs/dbraw/zinc/13/60/53/962136053.db2.gz JNZFJKVJJQAJAG-UHFFFAOYSA-N 3 2 371.529 1.765 20 30 FDEDLP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426580 962136061 /nfs/dbraw/zinc/13/60/61/962136061.db2.gz JNZFJKVJJQAJAG-UHFFFAOYSA-N 3 2 371.529 1.765 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187978818 965937774 /nfs/dbraw/zinc/93/77/74/965937774.db2.gz OBJSJOWXXLIYQN-FUHWJXTLSA-N 2 2 358.486 1.497 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187978818 965937777 /nfs/dbraw/zinc/93/77/77/965937777.db2.gz OBJSJOWXXLIYQN-FUHWJXTLSA-N 2 2 358.486 1.497 20 30 FDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCO1 ZINC001200528759 974807616 /nfs/dbraw/zinc/80/76/16/974807616.db2.gz OBHPSXKPFPHSJI-CEXWTWQISA-N 2 2 370.497 1.384 20 30 FDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001201737258 975137497 /nfs/dbraw/zinc/13/74/97/975137497.db2.gz WIRXOFTUQOTNMQ-MSOLQXFVSA-N 2 2 351.491 1.023 20 30 FDEDLP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC[NH+]3CCOCC3)CC1)C2 ZINC000866617509 975836785 /nfs/dbraw/zinc/83/67/85/975836785.db2.gz KLKAXBJBJWXMSG-NRFANRHFSA-N 2 2 354.498 1.412 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000866667410 975889910 /nfs/dbraw/zinc/88/99/10/975889910.db2.gz LKCDTDXHOLJUOC-MANSERQUSA-N 2 2 357.454 1.991 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000866667410 975889922 /nfs/dbraw/zinc/88/99/22/975889922.db2.gz LKCDTDXHOLJUOC-MANSERQUSA-N 2 2 357.454 1.991 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000884204925 982980029 /nfs/dbraw/zinc/98/00/29/982980029.db2.gz IFLVKZQAFMJGAY-SJORKVTESA-N 2 2 351.491 1.404 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC000870155993 985738782 /nfs/dbraw/zinc/73/87/82/985738782.db2.gz FWWIBONIKVEQSM-UHFFFAOYSA-N 2 2 355.482 1.685 20 30 FDEDLP CN(C(=O)COc1ccccc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829366 990023542 /nfs/dbraw/zinc/02/35/42/990023542.db2.gz GAWNXBCHZKUPPF-SFHVURJKSA-N 2 2 356.470 1.564 20 30 FDEDLP CN(C(=O)COc1ccccc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829366 990023563 /nfs/dbraw/zinc/02/35/63/990023563.db2.gz GAWNXBCHZKUPPF-SFHVURJKSA-N 2 2 356.470 1.564 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000372339897 991024460 /nfs/dbraw/zinc/02/44/60/991024460.db2.gz XDYMMVVMBCHPOR-MNEFBYGVSA-N 2 2 356.470 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000372339897 991024466 /nfs/dbraw/zinc/02/44/66/991024466.db2.gz XDYMMVVMBCHPOR-MNEFBYGVSA-N 2 2 356.470 1.976 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000876709581 992815049 /nfs/dbraw/zinc/81/50/49/992815049.db2.gz VHLQNZLYVQZDCB-HKUYNNGSSA-N 2 2 354.454 1.068 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000876759688 992882074 /nfs/dbraw/zinc/88/20/74/992882074.db2.gz QFBAGNYNIHHDDD-SJORKVTESA-N 2 2 351.878 1.516 20 30 FDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000264066326 997393314 /nfs/dbraw/zinc/39/33/14/997393314.db2.gz BIJXGGBPRNTUCC-KRWDZBQOSA-N 2 2 371.464 1.355 20 30 FDEDLP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000267457905 999341230 /nfs/dbraw/zinc/34/12/30/999341230.db2.gz UBOMXHOSIBRSNQ-QGZVFWFLSA-N 3 2 361.534 1.742 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000284290926 999798913 /nfs/dbraw/zinc/79/89/13/999798913.db2.gz BBGFTMUOEHPUQZ-UHFFFAOYSA-N 2 2 367.453 1.255 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001111262593 1007329470 /nfs/dbraw/zinc/32/94/70/1007329470.db2.gz YNAQZVKKBHBGRY-AKHDSKFASA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001111262593 1007329481 /nfs/dbraw/zinc/32/94/81/1007329481.db2.gz YNAQZVKKBHBGRY-AKHDSKFASA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001111262593 1007329495 /nfs/dbraw/zinc/32/94/95/1007329495.db2.gz YNAQZVKKBHBGRY-AKHDSKFASA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001111262593 1007329505 /nfs/dbraw/zinc/32/95/05/1007329505.db2.gz YNAQZVKKBHBGRY-AKHDSKFASA-N 2 2 374.529 1.112 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000303887006 1009674100 /nfs/dbraw/zinc/67/41/00/1009674100.db2.gz KQFJZUDJTPJNIJ-AZUAARDMSA-N 3 2 372.561 1.586 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000303887006 1009674107 /nfs/dbraw/zinc/67/41/07/1009674107.db2.gz KQFJZUDJTPJNIJ-AZUAARDMSA-N 3 2 372.561 1.586 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000303887008 1009674423 /nfs/dbraw/zinc/67/44/23/1009674423.db2.gz KQFJZUDJTPJNIJ-ICSRJNTNSA-N 3 2 372.561 1.586 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000303887008 1009674429 /nfs/dbraw/zinc/67/44/29/1009674429.db2.gz KQFJZUDJTPJNIJ-ICSRJNTNSA-N 3 2 372.561 1.586 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000528515711 539765414 /nfs/dbraw/zinc/76/54/14/539765414.db2.gz ITFZOBJUWXLVRC-SFHVURJKSA-N 2 2 359.470 1.124 20 30 FDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1=O ZINC000551803187 543343476 /nfs/dbraw/zinc/34/34/76/543343476.db2.gz LIZJOPHPXJZOJO-INIZCTEOSA-N 2 2 363.425 1.220 20 30 FDEDLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000104718037 172383216 /nfs/dbraw/zinc/38/32/16/172383216.db2.gz ISBNWBHXYMMAPY-QGZVFWFLSA-N 2 2 368.437 1.524 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000554863636 543883435 /nfs/dbraw/zinc/88/34/35/543883435.db2.gz UXPADMRAMIJHQU-GOSISDBHSA-N 2 2 352.438 1.952 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000047675982 522584262 /nfs/dbraw/zinc/58/42/62/522584262.db2.gz JJEDJJNTLBCRQX-MRXNPFEDSA-N 2 2 358.486 1.810 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000047675982 522584282 /nfs/dbraw/zinc/58/42/82/522584282.db2.gz JJEDJJNTLBCRQX-MRXNPFEDSA-N 2 2 358.486 1.810 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000050023937 522878289 /nfs/dbraw/zinc/87/82/89/522878289.db2.gz VPTLSAPUUAAWBA-UHFFFAOYSA-N 2 2 350.466 1.548 20 30 FDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618978 524901122 /nfs/dbraw/zinc/90/11/22/524901122.db2.gz QDCJQGAPNPEZGZ-OALUTQOASA-N 2 2 363.550 1.342 20 30 FDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618978 524901130 /nfs/dbraw/zinc/90/11/30/524901130.db2.gz QDCJQGAPNPEZGZ-OALUTQOASA-N 2 2 363.550 1.342 20 30 FDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618978 524901140 /nfs/dbraw/zinc/90/11/40/524901140.db2.gz QDCJQGAPNPEZGZ-OALUTQOASA-N 2 2 363.550 1.342 20 30 FDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618978 524901154 /nfs/dbraw/zinc/90/11/54/524901154.db2.gz QDCJQGAPNPEZGZ-OALUTQOASA-N 2 2 363.550 1.342 20 30 FDEDLP C=CCc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc(OC)c1O ZINC000093821060 525002597 /nfs/dbraw/zinc/00/25/97/525002597.db2.gz BZWBITWBNFHBGW-GOSISDBHSA-N 2 2 373.497 1.868 20 30 FDEDLP C=CCc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc(OC)c1O ZINC000093821060 525002608 /nfs/dbraw/zinc/00/26/08/525002608.db2.gz BZWBITWBNFHBGW-GOSISDBHSA-N 2 2 373.497 1.868 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000104164648 525398058 /nfs/dbraw/zinc/39/80/58/525398058.db2.gz UJZZALBKVRHCJM-LJQANCHMSA-N 3 2 359.518 1.407 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000104164648 525398067 /nfs/dbraw/zinc/39/80/67/525398067.db2.gz UJZZALBKVRHCJM-LJQANCHMSA-N 3 2 359.518 1.407 20 30 FDEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)N1CCO[C@H](COC)C1 ZINC000179260938 525550078 /nfs/dbraw/zinc/55/00/78/525550078.db2.gz JSLLQLXDACLEJN-ZBFHGGJFSA-N 2 2 366.531 1.417 20 30 FDEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)N1CCO[C@H](COC)C1 ZINC000179260938 525550085 /nfs/dbraw/zinc/55/00/85/525550085.db2.gz JSLLQLXDACLEJN-ZBFHGGJFSA-N 2 2 366.531 1.417 20 30 FDEDLP COC(=O)C1([NH+](C)CC#CC[N@@H+](C)C2(C(=O)OC)CCCC2)CCCC1 ZINC000170607496 525641960 /nfs/dbraw/zinc/64/19/60/525641960.db2.gz CJRZTQRTFBJDAV-UHFFFAOYSA-N 2 2 364.486 1.825 20 30 FDEDLP COC(=O)C1([NH+](C)CC#CC[N@H+](C)C2(C(=O)OC)CCCC2)CCCC1 ZINC000170607496 525641968 /nfs/dbraw/zinc/64/19/68/525641968.db2.gz CJRZTQRTFBJDAV-UHFFFAOYSA-N 2 2 364.486 1.825 20 30 FDEDLP N#Cc1cccc(NC(=O)CC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131219138 525836422 /nfs/dbraw/zinc/83/64/22/525836422.db2.gz SHKXHVXHGXJWMG-GOSISDBHSA-N 2 2 369.469 1.301 20 30 FDEDLP N#Cc1cccc(NC(=O)CC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131219138 525836431 /nfs/dbraw/zinc/83/64/31/525836431.db2.gz SHKXHVXHGXJWMG-GOSISDBHSA-N 2 2 369.469 1.301 20 30 FDEDLP N#Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000171410288 525983986 /nfs/dbraw/zinc/98/39/86/525983986.db2.gz INOFFFBUWFRRHA-UHFFFAOYSA-N 2 2 369.469 1.127 20 30 FDEDLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCCC1OCCO1 ZINC000120235578 526002844 /nfs/dbraw/zinc/00/28/44/526002844.db2.gz DTTJLIDFPKFVMP-UHFFFAOYSA-N 2 2 362.474 1.246 20 30 FDEDLP NC(CC[NH+]1CCN(Cc2ccccc2)CC1)=[NH+]OCCC1OCCO1 ZINC000120235578 526002854 /nfs/dbraw/zinc/00/28/54/526002854.db2.gz DTTJLIDFPKFVMP-UHFFFAOYSA-N 2 2 362.474 1.246 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109673908 526162570 /nfs/dbraw/zinc/16/25/70/526162570.db2.gz TYRKRRCMTXGVJG-SFHVURJKSA-N 2 2 357.502 1.218 20 30 FDEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109673908 526162583 /nfs/dbraw/zinc/16/25/83/526162583.db2.gz TYRKRRCMTXGVJG-SFHVURJKSA-N 2 2 357.502 1.218 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000188687552 536926632 /nfs/dbraw/zinc/92/66/32/536926632.db2.gz AATIUKPVPMMDDO-UHFFFAOYSA-N 2 2 374.489 1.912 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000271605843 537464330 /nfs/dbraw/zinc/46/43/30/537464330.db2.gz JIXAPYDFJOFSGI-IAGOWNOFSA-N 2 2 358.490 1.281 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000271605843 537464336 /nfs/dbraw/zinc/46/43/36/537464336.db2.gz JIXAPYDFJOFSGI-IAGOWNOFSA-N 2 2 358.490 1.281 20 30 FDEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000275346540 537555783 /nfs/dbraw/zinc/55/57/83/537555783.db2.gz YTQVYZKSAVRXKP-IBGZPJMESA-N 2 2 355.486 1.033 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000330357197 537655394 /nfs/dbraw/zinc/65/53/94/537655394.db2.gz SNASOWCBWVPTHM-ZDUSSCGKSA-N 2 2 359.478 1.163 20 30 FDEDLP Cc1cc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000292138830 537711800 /nfs/dbraw/zinc/71/18/00/537711800.db2.gz UAWPBJGQIRWRCV-UHFFFAOYSA-N 2 2 368.485 1.782 20 30 FDEDLP Cc1cc(CO[NH+]=C(N)CC[NH+]2CCN(Cc3ccccc3)CC2)ncn1 ZINC000292138830 537711802 /nfs/dbraw/zinc/71/18/02/537711802.db2.gz UAWPBJGQIRWRCV-UHFFFAOYSA-N 2 2 368.485 1.782 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369375058 538015582 /nfs/dbraw/zinc/01/55/82/538015582.db2.gz VMKJKUGWCALPDJ-GOSISDBHSA-N 3 2 363.550 1.495 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369375058 538015590 /nfs/dbraw/zinc/01/55/90/538015590.db2.gz VMKJKUGWCALPDJ-GOSISDBHSA-N 3 2 363.550 1.495 20 30 FDEDLP C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1C#N ZINC000562656673 546212340 /nfs/dbraw/zinc/21/23/40/546212340.db2.gz FDYKJNCAIGUDPV-KRWDZBQOSA-N 2 2 358.490 2.169 20 30 FDEDLP C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1C#N ZINC000562656673 546212342 /nfs/dbraw/zinc/21/23/42/546212342.db2.gz FDYKJNCAIGUDPV-KRWDZBQOSA-N 2 2 358.490 2.169 20 30 FDEDLP COc1cc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)ccc1C#N ZINC000564419247 546908837 /nfs/dbraw/zinc/90/88/37/546908837.db2.gz NGGJFYBVSBQFBP-UHFFFAOYSA-N 2 2 352.442 1.398 20 30 FDEDLP CC(C)[NH+]1CCN(c2cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c2)CC1 ZINC000573480346 550147950 /nfs/dbraw/zinc/14/79/50/550147950.db2.gz LUYSTGJWWGXRFP-HXUWFJFHSA-N 2 2 359.518 1.835 20 30 FDEDLP CC(C)[NH+]1CCN(c2cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c2)CC1 ZINC000573480346 550147952 /nfs/dbraw/zinc/14/79/52/550147952.db2.gz LUYSTGJWWGXRFP-HXUWFJFHSA-N 2 2 359.518 1.835 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)c(C#N)cn3)CC2)CC1 ZINC000579700290 550901056 /nfs/dbraw/zinc/90/10/56/550901056.db2.gz BLLKLPTYWJFODN-UHFFFAOYSA-N 2 2 355.486 1.894 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)c(C#N)cn3)CC2)CC1 ZINC000579700290 550901057 /nfs/dbraw/zinc/90/10/57/550901057.db2.gz BLLKLPTYWJFODN-UHFFFAOYSA-N 2 2 355.486 1.894 20 30 FDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000579854495 550917565 /nfs/dbraw/zinc/91/75/65/550917565.db2.gz AXJISDQQWBSKRK-SFHVURJKSA-N 2 2 356.470 1.548 20 30 FDEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000593941919 552230889 /nfs/dbraw/zinc/23/08/89/552230889.db2.gz CIUAFHGFKVIODS-UHFFFAOYSA-N 2 2 373.482 1.231 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000597993381 552853823 /nfs/dbraw/zinc/85/38/23/552853823.db2.gz SOPIAXNRWKXMNO-UHFFFAOYSA-N 2 2 357.380 1.585 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000597993381 552853825 /nfs/dbraw/zinc/85/38/25/552853825.db2.gz SOPIAXNRWKXMNO-UHFFFAOYSA-N 2 2 357.380 1.585 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000601322004 553375444 /nfs/dbraw/zinc/37/54/44/553375444.db2.gz WSCLKQCVJWWCSO-UHFFFAOYSA-N 2 2 364.515 1.346 20 30 FDEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCN(CCC#N)CC2)CC1 ZINC000611173674 554611962 /nfs/dbraw/zinc/61/19/62/554611962.db2.gz GDABESFNKFWPOA-LJQANCHMSA-N 2 2 369.513 1.423 20 30 FDEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000611394869 554630583 /nfs/dbraw/zinc/63/05/83/554630583.db2.gz OHKQBZMEYQDNKE-ICSRJNTNSA-N 2 2 368.481 1.458 20 30 FDEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000619781313 555833197 /nfs/dbraw/zinc/83/31/97/555833197.db2.gz SPBRJVMSWCEFJY-IBGZPJMESA-N 2 2 373.476 1.172 20 30 FDEDLP CC[NH+](CC)[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccsc1 ZINC000104166790 671594719 /nfs/dbraw/zinc/59/47/19/671594719.db2.gz AXZPZRSERVGCTR-KRWDZBQOSA-N 2 2 367.563 1.628 20 30 FDEDLP C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261987189 672707509 /nfs/dbraw/zinc/70/75/09/672707509.db2.gz QKJTWTBOYXKRCS-OWWKKJFISA-N 2 2 353.536 1.889 20 30 FDEDLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000329161859 676623334 /nfs/dbraw/zinc/62/33/34/676623334.db2.gz FMTLZRGSVORLPT-HZPDHXFCSA-N 2 2 364.515 1.737 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](O)C(C)(C)C3)CC2)CC1 ZINC000329414840 676637758 /nfs/dbraw/zinc/63/77/58/676637758.db2.gz FFDWRBIJCSHGRN-QGZVFWFLSA-N 2 2 352.523 1.552 20 30 FDEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193720 771201550 /nfs/dbraw/zinc/20/15/50/771201550.db2.gz FVOHNPMATZYBPA-FCEWJHQRSA-N 2 2 351.466 1.134 20 30 FDEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193720 771201552 /nfs/dbraw/zinc/20/15/52/771201552.db2.gz FVOHNPMATZYBPA-FCEWJHQRSA-N 2 2 351.466 1.134 20 30 FDEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193720 771201556 /nfs/dbraw/zinc/20/15/56/771201556.db2.gz FVOHNPMATZYBPA-FCEWJHQRSA-N 2 2 351.466 1.134 20 30 FDEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193720 771201559 /nfs/dbraw/zinc/20/15/59/771201559.db2.gz FVOHNPMATZYBPA-FCEWJHQRSA-N 2 2 351.466 1.134 20 30 FDEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970197691 772041990 /nfs/dbraw/zinc/04/19/90/772041990.db2.gz FAQAHIBMYCGQGZ-UHOSZYNNSA-N 2 2 365.518 1.269 20 30 FDEDLP CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893024801 792502691 /nfs/dbraw/zinc/50/26/91/792502691.db2.gz VZXWQTURZFFYMD-OAHLLOKOSA-N 2 2 361.515 1.930 20 30 FDEDLP CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893024801 792502698 /nfs/dbraw/zinc/50/26/98/792502698.db2.gz VZXWQTURZFFYMD-OAHLLOKOSA-N 2 2 361.515 1.930 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000663668630 808406201 /nfs/dbraw/zinc/40/62/01/808406201.db2.gz PWNMCUVSNBGQFO-MOPGFXCFSA-N 2 2 364.534 1.801 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001087443937 809805094 /nfs/dbraw/zinc/80/50/94/809805094.db2.gz NUBWBWIQAKXMIJ-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001087443937 809805102 /nfs/dbraw/zinc/80/51/02/809805102.db2.gz NUBWBWIQAKXMIJ-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001087443937 809805110 /nfs/dbraw/zinc/80/51/10/809805110.db2.gz NUBWBWIQAKXMIJ-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001087443937 809805118 /nfs/dbraw/zinc/80/51/18/809805118.db2.gz NUBWBWIQAKXMIJ-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261983427 811360405 /nfs/dbraw/zinc/36/04/05/811360405.db2.gz PMWPULLFDMOXTJ-HUUCEWRRSA-N 2 2 356.478 1.469 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)[C@@H]2CC)CC1 ZINC001087840221 822559286 /nfs/dbraw/zinc/55/92/86/822559286.db2.gz MQBYBQNEDWQVQC-DLBZAZTESA-N 2 2 359.474 1.192 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@@H]2CC)CC1 ZINC001087840221 822559287 /nfs/dbraw/zinc/55/92/87/822559287.db2.gz MQBYBQNEDWQVQC-DLBZAZTESA-N 2 2 359.474 1.192 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3[nH]c4ccccc4c3C#N)C2)CC1 ZINC000896325161 824300539 /nfs/dbraw/zinc/30/05/39/824300539.db2.gz NVAJOHHTVLHIBF-CQSZACIVSA-N 2 2 351.454 1.938 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3[nH]c4ccccc4c3C#N)C2)CC1 ZINC000896325161 824300542 /nfs/dbraw/zinc/30/05/42/824300542.db2.gz NVAJOHHTVLHIBF-CQSZACIVSA-N 2 2 351.454 1.938 20 30 FDEDLP C[C@@H]1[C@H](C)N(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000329827194 825488168 /nfs/dbraw/zinc/48/81/68/825488168.db2.gz ISOKGWAOSYNFNE-CABCVRRESA-N 2 2 374.489 1.039 20 30 FDEDLP C[C@@H]1[C@H](C)N(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000329827194 825488169 /nfs/dbraw/zinc/48/81/69/825488169.db2.gz ISOKGWAOSYNFNE-CABCVRRESA-N 2 2 374.489 1.039 20 30 FDEDLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961690 825567866 /nfs/dbraw/zinc/56/78/66/825567866.db2.gz RSXYSWBNNFXYSO-CVEARBPZSA-N 2 2 361.490 1.545 20 30 FDEDLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961690 825567871 /nfs/dbraw/zinc/56/78/71/825567871.db2.gz RSXYSWBNNFXYSO-CVEARBPZSA-N 2 2 361.490 1.545 20 30 FDEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330247938 825765062 /nfs/dbraw/zinc/76/50/62/825765062.db2.gz FWGIWGNNNZSTHW-FGTMMUONSA-N 2 2 374.533 1.602 20 30 FDEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330247938 825765065 /nfs/dbraw/zinc/76/50/65/825765065.db2.gz FWGIWGNNNZSTHW-FGTMMUONSA-N 2 2 374.533 1.602 20 30 FDEDLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000330258842 825771320 /nfs/dbraw/zinc/77/13/20/825771320.db2.gz MUMSEGNYALEODU-AWEZNQCLSA-N 2 2 364.494 1.085 20 30 FDEDLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000330258842 825771323 /nfs/dbraw/zinc/77/13/23/825771323.db2.gz MUMSEGNYALEODU-AWEZNQCLSA-N 2 2 364.494 1.085 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280918728 825828740 /nfs/dbraw/zinc/82/87/40/825828740.db2.gz OCTPIANYWWMQLR-IBGZPJMESA-N 2 2 367.497 1.725 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280918728 825828756 /nfs/dbraw/zinc/82/87/56/825828756.db2.gz OCTPIANYWWMQLR-IBGZPJMESA-N 2 2 367.497 1.725 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281967237 826360163 /nfs/dbraw/zinc/36/01/63/826360163.db2.gz GPNPDIWUQYRSLW-HUUCEWRRSA-N 2 2 359.474 1.799 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281967237 826360165 /nfs/dbraw/zinc/36/01/65/826360165.db2.gz GPNPDIWUQYRSLW-HUUCEWRRSA-N 2 2 359.474 1.799 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000532986682 835605707 /nfs/dbraw/zinc/60/57/07/835605707.db2.gz UDYQOAYIBAENLL-RBUKOAKNSA-N 2 2 355.486 1.185 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000532986682 835605714 /nfs/dbraw/zinc/60/57/14/835605714.db2.gz UDYQOAYIBAENLL-RBUKOAKNSA-N 2 2 355.486 1.185 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105636706 842267784 /nfs/dbraw/zinc/26/77/84/842267784.db2.gz BUPOVMZRFPFTOU-HNBVOPMISA-N 2 2 360.502 1.885 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105636706 842267794 /nfs/dbraw/zinc/26/77/94/842267794.db2.gz BUPOVMZRFPFTOU-HNBVOPMISA-N 2 2 360.502 1.885 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105667939 843724035 /nfs/dbraw/zinc/72/40/35/843724035.db2.gz GRAYKLSKIMOFMG-LFGUQSLTSA-N 2 2 358.486 1.250 20 30 FDEDLP COc1ccc(CC(N)=[NH+]OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000151290828 861908628 /nfs/dbraw/zinc/90/86/28/861908628.db2.gz KNXDOMNQCVPIQH-UHFFFAOYSA-N 2 2 360.458 1.270 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4ncc(C)o4)C[C@H]32)CC1 ZINC001076604870 848554788 /nfs/dbraw/zinc/55/47/88/848554788.db2.gz VLDYHCUFWNRNBQ-NZSAHSFTSA-N 2 2 370.497 1.922 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4ncc(C)o4)C[C@H]32)CC1 ZINC001076604870 848554793 /nfs/dbraw/zinc/55/47/93/848554793.db2.gz VLDYHCUFWNRNBQ-NZSAHSFTSA-N 2 2 370.497 1.922 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(C#CCO)c3)CC2)CC1 ZINC000911190003 858268797 /nfs/dbraw/zinc/26/87/97/858268797.db2.gz DXJJFMFPOXNIPL-UHFFFAOYSA-N 2 2 369.509 1.663 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(C#CCO)c3)CC2)CC1 ZINC000911190003 858268802 /nfs/dbraw/zinc/26/88/02/858268802.db2.gz DXJJFMFPOXNIPL-UHFFFAOYSA-N 2 2 369.509 1.663 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106876981 881880565 /nfs/dbraw/zinc/88/05/65/881880565.db2.gz HQWOPFKWLNNRJY-RBSFLKMASA-N 2 2 361.490 1.062 20 30 FDEDLP C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@H]2C)c1 ZINC001089039044 866215704 /nfs/dbraw/zinc/21/57/04/866215704.db2.gz UTVVPVIYKMVEFS-AYBZRNKSSA-N 2 2 368.481 1.137 20 30 FDEDLP C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@H]2C)c1 ZINC001089039044 866215721 /nfs/dbraw/zinc/21/57/21/866215721.db2.gz UTVVPVIYKMVEFS-AYBZRNKSSA-N 2 2 368.481 1.137 20 30 FDEDLP C#Cc1cccc(NC(=O)C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)c1 ZINC001089039044 866215732 /nfs/dbraw/zinc/21/57/32/866215732.db2.gz UTVVPVIYKMVEFS-AYBZRNKSSA-N 2 2 368.481 1.137 20 30 FDEDLP C#Cc1cccc(NC(=O)C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)c1 ZINC001089039044 866215748 /nfs/dbraw/zinc/21/57/48/866215748.db2.gz UTVVPVIYKMVEFS-AYBZRNKSSA-N 2 2 368.481 1.137 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cc1C#N ZINC001089074001 866524435 /nfs/dbraw/zinc/52/44/35/866524435.db2.gz QQCYEFYJNYVCLO-PBHICJAKSA-N 2 2 353.426 1.543 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cc1C#N ZINC001089074001 866524447 /nfs/dbraw/zinc/52/44/47/866524447.db2.gz QQCYEFYJNYVCLO-PBHICJAKSA-N 2 2 353.426 1.543 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000246104565 884807476 /nfs/dbraw/zinc/80/74/76/884807476.db2.gz CSCOUWPOJVKXMO-VQIMIIECSA-N 2 2 355.486 1.597 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000246104565 884807497 /nfs/dbraw/zinc/80/74/97/884807497.db2.gz CSCOUWPOJVKXMO-VQIMIIECSA-N 2 2 355.486 1.597 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129289069 890067613 /nfs/dbraw/zinc/06/76/13/890067613.db2.gz PXDNTRISTFZUGC-BBWFWOEESA-N 2 2 357.462 1.434 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129289069 890067633 /nfs/dbraw/zinc/06/76/33/890067633.db2.gz PXDNTRISTFZUGC-BBWFWOEESA-N 2 2 357.462 1.434 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129288629 890072892 /nfs/dbraw/zinc/07/28/92/890072892.db2.gz GKDIJLIEJLYNKC-ZACQAIPSSA-N 2 2 357.462 1.434 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129288629 890072914 /nfs/dbraw/zinc/07/29/14/890072914.db2.gz GKDIJLIEJLYNKC-ZACQAIPSSA-N 2 2 357.462 1.434 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637348 894347631 /nfs/dbraw/zinc/34/76/31/894347631.db2.gz FGRQGNCNYNXGNJ-JKSUJKDBSA-N 2 2 350.507 1.132 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637348 894347658 /nfs/dbraw/zinc/34/76/58/894347658.db2.gz FGRQGNCNYNXGNJ-JKSUJKDBSA-N 2 2 350.507 1.132 20 30 FDEDLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077582830 901280661 /nfs/dbraw/zinc/28/06/61/901280661.db2.gz UVVYTAMFYREDCM-QZTJIDSGSA-N 2 2 368.437 1.188 20 30 FDEDLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077582830 901280671 /nfs/dbraw/zinc/28/06/71/901280671.db2.gz UVVYTAMFYREDCM-QZTJIDSGSA-N 2 2 368.437 1.188 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cccc(F)c1 ZINC001079188704 902136984 /nfs/dbraw/zinc/13/69/84/902136984.db2.gz MQFJBYIZEPVYSN-YTQUADARSA-N 2 2 366.440 1.802 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265564 902312729 /nfs/dbraw/zinc/31/27/29/902312729.db2.gz PBOPOZBMINFRTF-BPQIPLTHSA-N 2 2 358.486 1.714 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265564 902312735 /nfs/dbraw/zinc/31/27/35/902312735.db2.gz PBOPOZBMINFRTF-BPQIPLTHSA-N 2 2 358.486 1.714 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1ccccc1F ZINC001079312103 902447816 /nfs/dbraw/zinc/44/78/16/902447816.db2.gz KHAFCXAGCIPVCS-VXIBKDFQSA-N 2 2 366.440 1.880 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726119 903144129 /nfs/dbraw/zinc/14/41/29/903144129.db2.gz CPIDZNXEHQVNPC-TWKYDXJASA-N 2 2 358.461 1.974 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726119 903144136 /nfs/dbraw/zinc/14/41/36/903144136.db2.gz CPIDZNXEHQVNPC-TWKYDXJASA-N 2 2 358.461 1.974 20 30 FDEDLP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726119 903144143 /nfs/dbraw/zinc/14/41/43/903144143.db2.gz CPIDZNXEHQVNPC-TWKYDXJASA-N 2 2 358.461 1.974 20 30 FDEDLP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726119 903144145 /nfs/dbraw/zinc/14/41/45/903144145.db2.gz CPIDZNXEHQVNPC-TWKYDXJASA-N 2 2 358.461 1.974 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)nsc2C)C[C@H]1C ZINC001079878233 903602117 /nfs/dbraw/zinc/60/21/17/903602117.db2.gz NKFFEXQHBCUIOO-XWIAVFTESA-N 2 2 360.527 1.794 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)nsc2C)C[C@H]1C ZINC001079878233 903602125 /nfs/dbraw/zinc/60/21/25/903602125.db2.gz NKFFEXQHBCUIOO-XWIAVFTESA-N 2 2 360.527 1.794 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)nsc2C)C[C@H]1C ZINC001079878233 903602139 /nfs/dbraw/zinc/60/21/39/903602139.db2.gz NKFFEXQHBCUIOO-XWIAVFTESA-N 2 2 360.527 1.794 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)nsc2C)C[C@H]1C ZINC001079878233 903602146 /nfs/dbraw/zinc/60/21/46/903602146.db2.gz NKFFEXQHBCUIOO-XWIAVFTESA-N 2 2 360.527 1.794 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951272 903749836 /nfs/dbraw/zinc/74/98/36/903749836.db2.gz DJFYYOBJECMKBB-OHDICMOHSA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951272 903749842 /nfs/dbraw/zinc/74/98/42/903749842.db2.gz DJFYYOBJECMKBB-OHDICMOHSA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951272 903749847 /nfs/dbraw/zinc/74/98/47/903749847.db2.gz DJFYYOBJECMKBB-OHDICMOHSA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951272 903749852 /nfs/dbraw/zinc/74/98/52/903749852.db2.gz DJFYYOBJECMKBB-OHDICMOHSA-N 2 2 356.470 1.214 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001082492256 908011922 /nfs/dbraw/zinc/01/19/22/908011922.db2.gz NFDRIVYFSAWOKS-RHSMWYFYSA-N 2 2 367.453 1.859 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](Cc3cccc(C#N)c3)CCO2)CC[N@@H+]1C ZINC001107954201 908481112 /nfs/dbraw/zinc/48/11/12/908481112.db2.gz KADZTPKSLTVGFU-OZOXKJRCSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](Cc3cccc(C#N)c3)CCO2)CC[N@H+]1C ZINC001107954201 908481121 /nfs/dbraw/zinc/48/11/21/908481121.db2.gz KADZTPKSLTVGFU-OZOXKJRCSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@H+](Cc3cccc(C#N)c3)CCO2)CC[NH+]1C ZINC001107954201 908481131 /nfs/dbraw/zinc/48/11/31/908481131.db2.gz KADZTPKSLTVGFU-OZOXKJRCSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@@H+](Cc3cccc(C#N)c3)CCO2)CC[NH+]1C ZINC001107954201 908481145 /nfs/dbraw/zinc/48/11/45/908481145.db2.gz KADZTPKSLTVGFU-OZOXKJRCSA-N 2 2 370.497 1.606 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084523408 915173030 /nfs/dbraw/zinc/17/30/30/915173030.db2.gz FHODXGGVHYZAFO-VQIMIIECSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084523408 915173035 /nfs/dbraw/zinc/17/30/35/915173035.db2.gz FHODXGGVHYZAFO-VQIMIIECSA-N 2 2 367.428 1.935 20 30 FDEDLP CN(C(=O)COc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559801 919794632 /nfs/dbraw/zinc/79/46/32/919794632.db2.gz RLWDOTAMJADTIB-GOSISDBHSA-N 2 2 356.470 1.564 20 30 FDEDLP CN(C(=O)COc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559801 919794648 /nfs/dbraw/zinc/79/46/48/919794648.db2.gz RLWDOTAMJADTIB-GOSISDBHSA-N 2 2 356.470 1.564 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncccn4)[C@H]3C2)CC1 ZINC001085100707 920916233 /nfs/dbraw/zinc/91/62/33/920916233.db2.gz YRXJRLGXBJSPTD-MJGOQNOKSA-N 2 2 367.497 1.245 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncccn4)[C@H]3C2)CC1 ZINC001085100707 920916236 /nfs/dbraw/zinc/91/62/36/920916236.db2.gz YRXJRLGXBJSPTD-MJGOQNOKSA-N 2 2 367.497 1.245 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085158990 921878559 /nfs/dbraw/zinc/87/85/59/921878559.db2.gz DJHBSRLHOPGQRA-QRVBRYPASA-N 2 2 356.470 1.406 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085158990 921878564 /nfs/dbraw/zinc/87/85/64/921878564.db2.gz DJHBSRLHOPGQRA-QRVBRYPASA-N 2 2 356.470 1.406 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326476 926002824 /nfs/dbraw/zinc/00/28/24/926002824.db2.gz IQRISJNIOHUTLZ-FGTMMUONSA-N 2 2 360.506 1.009 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326476 926002835 /nfs/dbraw/zinc/00/28/35/926002835.db2.gz IQRISJNIOHUTLZ-FGTMMUONSA-N 2 2 360.506 1.009 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109720088 930242589 /nfs/dbraw/zinc/24/25/89/930242589.db2.gz TXXLXOJYBSABEQ-YLAKUSLOSA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109720088 930242591 /nfs/dbraw/zinc/24/25/91/930242591.db2.gz TXXLXOJYBSABEQ-YLAKUSLOSA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001109720088 930242597 /nfs/dbraw/zinc/24/25/97/930242597.db2.gz TXXLXOJYBSABEQ-YLAKUSLOSA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001109720088 930242606 /nfs/dbraw/zinc/24/26/06/930242606.db2.gz TXXLXOJYBSABEQ-YLAKUSLOSA-N 2 2 365.493 1.570 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)c1 ZINC001109846763 930584868 /nfs/dbraw/zinc/58/48/68/930584868.db2.gz VGMXHSDSJMDBCO-AABGKKOBSA-N 2 2 368.481 1.502 20 30 FDEDLP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)c1 ZINC001109846763 930584869 /nfs/dbraw/zinc/58/48/69/930584869.db2.gz VGMXHSDSJMDBCO-AABGKKOBSA-N 2 2 368.481 1.502 20 30 FDEDLP N#CCCn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccncc2)n1 ZINC000788512705 932719837 /nfs/dbraw/zinc/71/98/37/932719837.db2.gz MZCASFGCPWWXKF-MOPGFXCFSA-N 2 2 366.469 1.812 20 30 FDEDLP N#CCCn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccncc2)n1 ZINC000788512705 932719844 /nfs/dbraw/zinc/71/98/44/932719844.db2.gz MZCASFGCPWWXKF-MOPGFXCFSA-N 2 2 366.469 1.812 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129917071 938553958 /nfs/dbraw/zinc/55/39/58/938553958.db2.gz KFYHBHDVJJGTST-NXHRZFHOSA-N 2 2 369.473 1.045 20 30 FDEDLP C#CCOc1ccc(F)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000821331503 944424124 /nfs/dbraw/zinc/42/41/24/944424124.db2.gz VVZIHPXEHNWOHY-UHFFFAOYSA-N 2 2 350.438 1.843 20 30 FDEDLP C#CCOc1ccc(F)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000821331503 944424126 /nfs/dbraw/zinc/42/41/26/944424126.db2.gz VVZIHPXEHNWOHY-UHFFFAOYSA-N 2 2 350.438 1.843 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc2[nH]cc(C(=O)OC)c2c[nH+]1 ZINC001171068328 946773102 /nfs/dbraw/zinc/77/31/02/946773102.db2.gz WDBWXUCSWCTTEA-ZDUSSCGKSA-N 2 2 361.402 1.335 20 30 FDEDLP C[N@@H+]1CCc2c(NC(=[NH2+])c3ccc(C(N)=O)cc3)ccc([N+](=O)[O-])c2C1 ZINC001171258794 951727818 /nfs/dbraw/zinc/72/78/18/951727818.db2.gz NPNLFWFSWXHNLM-UHFFFAOYSA-N 2 2 353.382 1.719 20 30 FDEDLP C[N@H+]1CCc2c(NC(=[NH2+])c3ccc(C(N)=O)cc3)ccc([N+](=O)[O-])c2C1 ZINC001171258794 951727822 /nfs/dbraw/zinc/72/78/22/951727822.db2.gz NPNLFWFSWXHNLM-UHFFFAOYSA-N 2 2 353.382 1.719 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC001086987197 953009032 /nfs/dbraw/zinc/00/90/32/953009032.db2.gz FRFVYDLTCOURIV-JKSUJKDBSA-N 2 2 350.426 1.452 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cnn(C)c1 ZINC001086987620 953010496 /nfs/dbraw/zinc/01/04/96/953010496.db2.gz CRRPPHJSLYXQPB-JKSUJKDBSA-N 2 2 362.865 1.262 20 30 FDEDLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087087945 953250031 /nfs/dbraw/zinc/25/00/31/953250031.db2.gz CGSHTBAQIZNKEZ-IEBWSBKVSA-N 2 2 367.453 1.477 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092847742 956488826 /nfs/dbraw/zinc/48/88/26/956488826.db2.gz AGPIPKVMGXNJIW-MKXGPGLRSA-N 2 2 365.518 1.126 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092847742 956488833 /nfs/dbraw/zinc/48/88/33/956488833.db2.gz AGPIPKVMGXNJIW-MKXGPGLRSA-N 2 2 365.518 1.126 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093472034 958237218 /nfs/dbraw/zinc/23/72/18/958237218.db2.gz HYYMMRFWTFFWQQ-LFGUQSLTSA-N 2 2 360.502 1.505 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(OCC#N)cc1 ZINC001095240857 962523528 /nfs/dbraw/zinc/52/35/28/962523528.db2.gz HARCXSRVIXNQAJ-GTAWCEEGSA-N 2 2 368.481 1.905 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(OCC#N)cc1 ZINC001095240857 962523542 /nfs/dbraw/zinc/52/35/42/962523542.db2.gz HARCXSRVIXNQAJ-GTAWCEEGSA-N 2 2 368.481 1.905 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001095240857 962523557 /nfs/dbraw/zinc/52/35/57/962523557.db2.gz HARCXSRVIXNQAJ-GTAWCEEGSA-N 2 2 368.481 1.905 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001095240857 962523565 /nfs/dbraw/zinc/52/35/65/962523565.db2.gz HARCXSRVIXNQAJ-GTAWCEEGSA-N 2 2 368.481 1.905 20 30 FDEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000774732802 963499100 /nfs/dbraw/zinc/49/91/00/963499100.db2.gz ZISDKKLWBNKDQV-LJQANCHMSA-N 2 2 358.486 1.730 20 30 FDEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000774732802 963499106 /nfs/dbraw/zinc/49/91/06/963499106.db2.gz ZISDKKLWBNKDQV-LJQANCHMSA-N 2 2 358.486 1.730 20 30 FDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC12CCOCC2 ZINC001186402274 964473960 /nfs/dbraw/zinc/47/39/60/964473960.db2.gz KCBPYOWDMIORRW-GVDBMIGSSA-N 2 2 358.486 1.934 20 30 FDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC12CCOCC2 ZINC001186402274 964473964 /nfs/dbraw/zinc/47/39/64/964473964.db2.gz KCBPYOWDMIORRW-GVDBMIGSSA-N 2 2 358.486 1.934 20 30 FDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC12CCOCC2 ZINC001186402108 964474491 /nfs/dbraw/zinc/47/44/91/964474491.db2.gz FWOZWJFHPSPJPH-GVDBMIGSSA-N 2 2 356.470 1.381 20 30 FDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC12CCOCC2 ZINC001186402108 964474499 /nfs/dbraw/zinc/47/44/99/964474499.db2.gz FWOZWJFHPSPJPH-GVDBMIGSSA-N 2 2 356.470 1.381 20 30 FDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC12CCOCC2 ZINC001186505783 964534209 /nfs/dbraw/zinc/53/42/09/964534209.db2.gz WGLBKWKFUHQXGD-KZNAEPCWSA-N 2 2 370.497 1.392 20 30 FDEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179097167 964718870 /nfs/dbraw/zinc/71/88/70/964718870.db2.gz FAMSFQXDJWNAEZ-MOPGFXCFSA-N 2 2 367.534 1.709 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001189763156 967246700 /nfs/dbraw/zinc/24/67/00/967246700.db2.gz JQLJHUBGOFXDIR-QFBILLFUSA-N 2 2 367.453 1.616 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001189763156 967246708 /nfs/dbraw/zinc/24/67/08/967246708.db2.gz JQLJHUBGOFXDIR-QFBILLFUSA-N 2 2 367.453 1.616 20 30 FDEDLP O=C(C#CC1CC[NH2+]CC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000852862693 967668407 /nfs/dbraw/zinc/66/84/07/967668407.db2.gz JJHGIIZYULBYQP-UHFFFAOYSA-N 2 2 371.481 1.017 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)C[C@H]1O ZINC001193849831 969895331 /nfs/dbraw/zinc/89/53/31/969895331.db2.gz OXQPIUVQBZDELL-DXEIPNDNSA-N 2 2 367.493 1.349 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C\c2ccccc2)C[C@H]1O ZINC001193849831 969895336 /nfs/dbraw/zinc/89/53/36/969895336.db2.gz OXQPIUVQBZDELL-DXEIPNDNSA-N 2 2 367.493 1.349 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\c2ccccc2)C[C@H]1O ZINC001193849831 969895339 /nfs/dbraw/zinc/89/53/39/969895339.db2.gz OXQPIUVQBZDELL-DXEIPNDNSA-N 2 2 367.493 1.349 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\c2ccccc2)C[C@H]1O ZINC001193849831 969895346 /nfs/dbraw/zinc/89/53/46/969895346.db2.gz OXQPIUVQBZDELL-DXEIPNDNSA-N 2 2 367.493 1.349 20 30 FDEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCO1 ZINC000775795206 972534308 /nfs/dbraw/zinc/53/43/08/972534308.db2.gz VCXKOOQATMYHER-WOJBJXKFSA-N 2 2 355.482 1.410 20 30 FDEDLP CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000865466531 974313932 /nfs/dbraw/zinc/31/39/32/974313932.db2.gz XMNIWNVSJACSKJ-IBGZPJMESA-N 2 2 357.502 1.120 20 30 FDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCO1 ZINC001200528427 974807652 /nfs/dbraw/zinc/80/76/52/974807652.db2.gz KSBPJVQOBZUYPL-GUDVDZBRSA-N 2 2 370.497 1.384 20 30 FDEDLP CC[NH+](CC)CCN1c2ccccc2C(=NNCCCn2cc[nH+]c2)C1=O ZINC000848419267 976724984 /nfs/dbraw/zinc/72/49/84/976724984.db2.gz SGMNIKHXLLIAHF-UHFFFAOYSA-N 2 2 368.485 1.956 20 30 FDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000867962227 977146295 /nfs/dbraw/zinc/14/62/95/977146295.db2.gz MTRQACHEWDGRON-SPYBWZPUSA-N 2 2 370.497 1.749 20 30 FDEDLP CC(C)(C)OC(=O)N1CCN2C(NCCCCn3cc[nH+]c3)=[NH+]C[C@@H]2C1 ZINC000849087238 977307827 /nfs/dbraw/zinc/30/78/27/977307827.db2.gz PFSMWYCZTMWAOC-OAHLLOKOSA-N 2 2 362.478 1.544 20 30 FDEDLP C#CCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000880477909 979218403 /nfs/dbraw/zinc/21/84/03/979218403.db2.gz OUVLXVDSTHCCIV-UHFFFAOYSA-N 2 2 369.509 1.489 20 30 FDEDLP C=CCC1(O)CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000884124168 982906216 /nfs/dbraw/zinc/90/62/16/982906216.db2.gz PHXXQZKQVZFASU-UHFFFAOYSA-N 2 2 364.534 1.658 20 30 FDEDLP C#CCN(C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC000886573594 986373628 /nfs/dbraw/zinc/37/36/28/986373628.db2.gz OHGJPHNSRSPLNA-HXUWFJFHSA-N 2 2 355.482 1.826 20 30 FDEDLP C#CCN(C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC000886573594 986373637 /nfs/dbraw/zinc/37/36/37/986373637.db2.gz OHGJPHNSRSPLNA-HXUWFJFHSA-N 2 2 355.482 1.826 20 30 FDEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000366300039 988605994 /nfs/dbraw/zinc/60/59/94/988605994.db2.gz PZPPDZWVKAQHSM-AZUAARDMSA-N 2 2 357.498 1.756 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCC[NH+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193242 988940112 /nfs/dbraw/zinc/94/01/12/988940112.db2.gz FURQGWUQHGJCJT-OTWHNJEPSA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCC[NH+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193242 988940114 /nfs/dbraw/zinc/94/01/14/988940114.db2.gz FURQGWUQHGJCJT-OTWHNJEPSA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@@H]([NH+](C)[C@H]2CCC[N@@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193242 988940117 /nfs/dbraw/zinc/94/01/17/988940117.db2.gz FURQGWUQHGJCJT-OTWHNJEPSA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@@H]([NH+](C)[C@H]2CCC[N@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193242 988940123 /nfs/dbraw/zinc/94/01/23/988940123.db2.gz FURQGWUQHGJCJT-OTWHNJEPSA-N 2 2 374.529 1.347 20 30 FDEDLP CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364142403 989501279 /nfs/dbraw/zinc/50/12/79/989501279.db2.gz KYLSUKXLDXGXBK-SFHVURJKSA-N 2 2 369.469 1.124 20 30 FDEDLP CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364142403 989501283 /nfs/dbraw/zinc/50/12/83/989501283.db2.gz KYLSUKXLDXGXBK-SFHVURJKSA-N 2 2 369.469 1.124 20 30 FDEDLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876716780 992825915 /nfs/dbraw/zinc/82/59/15/992825915.db2.gz NCCSZKZFRRLFBW-KHYOSLBOSA-N 2 2 356.470 1.361 20 30 FDEDLP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876716780 992825922 /nfs/dbraw/zinc/82/59/22/992825922.db2.gz NCCSZKZFRRLFBW-KHYOSLBOSA-N 2 2 356.470 1.361 20 30 FDEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000930071074 1002785203 /nfs/dbraw/zinc/78/52/03/1002785203.db2.gz BCUKSKLCZHYSBG-IBGZPJMESA-N 2 2 368.481 1.411 20 30 FDEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000930071074 1002785215 /nfs/dbraw/zinc/78/52/15/1002785215.db2.gz BCUKSKLCZHYSBG-IBGZPJMESA-N 2 2 368.481 1.411 20 30 FDEDLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)c1ccccc1 ZINC000933649338 1005598498 /nfs/dbraw/zinc/59/84/98/1005598498.db2.gz ZHCYZFDYNSQIGF-LJQANCHMSA-N 2 2 371.481 1.743 20 30 FDEDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528731562 539781456 /nfs/dbraw/zinc/78/14/56/539781456.db2.gz YNCUXKUYVIABSC-SFHVURJKSA-N 2 2 359.470 1.485 20 30 FDEDLP C=CCC[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000543603935 541619705 /nfs/dbraw/zinc/61/97/05/541619705.db2.gz ZMRDQVKTHOJRIM-MRXNPFEDSA-N 2 2 352.504 1.478 20 30 FDEDLP C[NH+]1CCN(C(=O)CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181686536 174240801 /nfs/dbraw/zinc/24/08/01/174240801.db2.gz IBZTWBLPFRMSMA-UHFFFAOYSA-N 3 2 369.513 1.276 20 30 FDEDLP Cc1cc(C#N)cnc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000556688389 544176164 /nfs/dbraw/zinc/17/61/64/544176164.db2.gz UPZDIXLGHISSTQ-JWTNVVGKSA-N 2 2 353.470 1.645 20 30 FDEDLP Cc1cc(C#N)cnc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000556688389 544176166 /nfs/dbraw/zinc/17/61/66/544176166.db2.gz UPZDIXLGHISSTQ-JWTNVVGKSA-N 2 2 353.470 1.645 20 30 FDEDLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 ZINC000331859350 259225074 /nfs/dbraw/zinc/22/50/74/259225074.db2.gz YEOVXROTZQGXLD-GOSISDBHSA-N 2 2 358.511 1.640 20 30 FDEDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 ZINC000331859350 259225075 /nfs/dbraw/zinc/22/50/75/259225075.db2.gz YEOVXROTZQGXLD-GOSISDBHSA-N 2 2 358.511 1.640 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369271449 260328295 /nfs/dbraw/zinc/32/82/95/260328295.db2.gz QWJCMRCERFKSBT-INIZCTEOSA-N 2 2 372.469 1.044 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)C1 ZINC000374238468 261098340 /nfs/dbraw/zinc/09/83/40/261098340.db2.gz CSZBEWOQTYDUKN-LJQANCHMSA-N 2 2 358.486 1.405 20 30 FDEDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)C1 ZINC000374238468 261098341 /nfs/dbraw/zinc/09/83/41/261098341.db2.gz CSZBEWOQTYDUKN-LJQANCHMSA-N 2 2 358.486 1.405 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069855966 521963124 /nfs/dbraw/zinc/96/31/24/521963124.db2.gz FIPQTNNJZKKFFJ-RTBURBONSA-N 2 2 359.470 1.342 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069855966 521963135 /nfs/dbraw/zinc/96/31/35/521963135.db2.gz FIPQTNNJZKKFFJ-RTBURBONSA-N 2 2 359.470 1.342 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000057175172 522023976 /nfs/dbraw/zinc/02/39/76/522023976.db2.gz KJOVUILJAKFFMY-UHFFFAOYSA-N 2 2 355.482 1.480 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000053510099 523452785 /nfs/dbraw/zinc/45/27/85/523452785.db2.gz JFOUUNJOWBNWKN-UHFFFAOYSA-N 2 2 352.442 1.672 20 30 FDEDLP CCC[NH+]1CCC(N2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)CC1 ZINC000112358912 524468612 /nfs/dbraw/zinc/46/86/12/524468612.db2.gz LSBCXFUSGSIXMT-UHFFFAOYSA-N 2 2 374.533 1.134 20 30 FDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178905643 525502102 /nfs/dbraw/zinc/50/21/02/525502102.db2.gz PEBHGFLXCLFUDB-WMZOPIPTSA-N 2 2 372.469 1.000 20 30 FDEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 ZINC000181871726 525964124 /nfs/dbraw/zinc/96/41/24/525964124.db2.gz UOTYRNWKLYUVGL-FQEVSTJZSA-N 2 2 370.497 1.750 20 30 FDEDLP COc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000266999942 536947657 /nfs/dbraw/zinc/94/76/57/536947657.db2.gz GPHXJJSXBDWSGF-UHFFFAOYSA-N 2 2 370.453 1.710 20 30 FDEDLP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000246426844 536952103 /nfs/dbraw/zinc/95/21/03/536952103.db2.gz CXLQSRSKHUNEMB-JLSDUUJJSA-N 2 2 363.421 1.970 20 30 FDEDLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000246426844 536952104 /nfs/dbraw/zinc/95/21/04/536952104.db2.gz CXLQSRSKHUNEMB-JLSDUUJJSA-N 2 2 363.421 1.970 20 30 FDEDLP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCN(C(C)=O)CC1 ZINC000263258035 537002913 /nfs/dbraw/zinc/00/29/13/537002913.db2.gz RMQMGHXCTAVPSF-KRWDZBQOSA-N 2 2 361.490 1.546 20 30 FDEDLP CN(C)S(=O)(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290088024 537667947 /nfs/dbraw/zinc/66/79/47/537667947.db2.gz HGPXUWGFEBSJHW-UHFFFAOYSA-N 2 2 350.488 1.004 20 30 FDEDLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000290118971 537673979 /nfs/dbraw/zinc/67/39/79/537673979.db2.gz YLGBOTOBPFTQCS-LJQANCHMSA-N 2 2 363.465 1.970 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000285386358 537697520 /nfs/dbraw/zinc/69/75/20/537697520.db2.gz WNXCYZYKDGQFFT-UHFFFAOYSA-N 2 2 359.474 1.157 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000565954292 547545610 /nfs/dbraw/zinc/54/56/10/547545610.db2.gz LLDKBOZJAXOIND-YRNRMSPPSA-N 2 2 358.486 1.869 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000565954292 547545616 /nfs/dbraw/zinc/54/56/16/547545616.db2.gz LLDKBOZJAXOIND-YRNRMSPPSA-N 2 2 358.486 1.869 20 30 FDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000568746566 548663137 /nfs/dbraw/zinc/66/31/37/548663137.db2.gz OVRBPPXJNUENLI-MRXNPFEDSA-N 2 2 364.877 1.884 20 30 FDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000573359636 550120618 /nfs/dbraw/zinc/12/06/18/550120618.db2.gz ZGAAIGNYVYJNEH-GPANFISMSA-N 2 2 362.440 1.588 20 30 FDEDLP CC(C)[N@H+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000576189607 550520827 /nfs/dbraw/zinc/52/08/27/550520827.db2.gz NZBNPLTUKVKRJK-UHFFFAOYSA-N 2 2 364.515 1.779 20 30 FDEDLP CC(C)[N@@H+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000576189607 550520829 /nfs/dbraw/zinc/52/08/29/550520829.db2.gz NZBNPLTUKVKRJK-UHFFFAOYSA-N 2 2 364.515 1.779 20 30 FDEDLP Cc1cc(S(=O)(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1C#N ZINC000582280818 551200304 /nfs/dbraw/zinc/20/03/04/551200304.db2.gz OUNRJXSNRQMPHR-UHFFFAOYSA-N 2 2 371.466 1.814 20 30 FDEDLP C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000592513103 552003940 /nfs/dbraw/zinc/00/39/40/552003940.db2.gz WGSDEMGSKGHYHR-GOSISDBHSA-N 2 2 353.474 1.201 20 30 FDEDLP C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000592513103 552003941 /nfs/dbraw/zinc/00/39/41/552003941.db2.gz WGSDEMGSKGHYHR-GOSISDBHSA-N 2 2 353.474 1.201 20 30 FDEDLP CN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000592513103 552003942 /nfs/dbraw/zinc/00/39/42/552003942.db2.gz WGSDEMGSKGHYHR-GOSISDBHSA-N 2 2 353.474 1.201 20 30 FDEDLP CN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000592513103 552003943 /nfs/dbraw/zinc/00/39/43/552003943.db2.gz WGSDEMGSKGHYHR-GOSISDBHSA-N 2 2 353.474 1.201 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594803932 552390950 /nfs/dbraw/zinc/39/09/50/552390950.db2.gz RLVNLNKSHHGHMH-ZDUSSCGKSA-N 2 2 372.922 1.762 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594803932 552390953 /nfs/dbraw/zinc/39/09/53/552390953.db2.gz RLVNLNKSHHGHMH-ZDUSSCGKSA-N 2 2 372.922 1.762 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000595125858 552459635 /nfs/dbraw/zinc/45/96/35/552459635.db2.gz RCOQTGNKIWHYPM-UHFFFAOYSA-N 2 2 365.865 1.150 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000595125858 552459637 /nfs/dbraw/zinc/45/96/37/552459637.db2.gz RCOQTGNKIWHYPM-UHFFFAOYSA-N 2 2 365.865 1.150 20 30 FDEDLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595948517 552637191 /nfs/dbraw/zinc/63/71/91/552637191.db2.gz MCSYLUYYVLIMKK-OALUTQOASA-N 2 2 357.502 1.330 20 30 FDEDLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595948517 552637192 /nfs/dbraw/zinc/63/71/92/552637192.db2.gz MCSYLUYYVLIMKK-OALUTQOASA-N 2 2 357.502 1.330 20 30 FDEDLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C#N)cc1N(C)C ZINC000596907155 552723585 /nfs/dbraw/zinc/72/35/85/552723585.db2.gz BLOGBGXQZGXTGL-UHFFFAOYSA-N 2 2 360.506 1.938 20 30 FDEDLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C#N)cc1N(C)C ZINC000596907155 552723586 /nfs/dbraw/zinc/72/35/86/552723586.db2.gz BLOGBGXQZGXTGL-UHFFFAOYSA-N 2 2 360.506 1.938 20 30 FDEDLP Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597990172 552853063 /nfs/dbraw/zinc/85/30/63/552853063.db2.gz PTUAHZGGXNRSCL-UHFFFAOYSA-N 2 2 361.490 1.208 20 30 FDEDLP Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597990172 552853064 /nfs/dbraw/zinc/85/30/64/552853064.db2.gz PTUAHZGGXNRSCL-UHFFFAOYSA-N 2 2 361.490 1.208 20 30 FDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000599396080 553044829 /nfs/dbraw/zinc/04/48/29/553044829.db2.gz PHGQZMCGBYWUFT-QZTJIDSGSA-N 2 2 351.491 1.244 20 30 FDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000599396080 553044832 /nfs/dbraw/zinc/04/48/32/553044832.db2.gz PHGQZMCGBYWUFT-QZTJIDSGSA-N 2 2 351.491 1.244 20 30 FDEDLP N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000600723158 553307510 /nfs/dbraw/zinc/30/75/10/553307510.db2.gz WDZAGXBFCWKDOK-GOSISDBHSA-N 2 2 359.470 1.542 20 30 FDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000603429607 553786685 /nfs/dbraw/zinc/78/66/85/553786685.db2.gz ZMEDIOBBBZMMGN-TZIWHRDSSA-N 2 2 354.498 1.932 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)cc1 ZINC000610908697 554579728 /nfs/dbraw/zinc/57/97/28/554579728.db2.gz HLBNVZHZERQAGK-UHFFFAOYSA-N 2 2 364.453 1.507 20 30 FDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000611392686 554630444 /nfs/dbraw/zinc/63/04/44/554630444.db2.gz CXERRGVNURSMHF-TZIWHRDSSA-N 2 2 354.498 1.932 20 30 FDEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381582 555298880 /nfs/dbraw/zinc/29/88/80/555298880.db2.gz VCMFLPKPXUNSIB-LJQANCHMSA-N 2 2 364.534 1.476 20 30 FDEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381582 555298881 /nfs/dbraw/zinc/29/88/81/555298881.db2.gz VCMFLPKPXUNSIB-LJQANCHMSA-N 2 2 364.534 1.476 20 30 FDEDLP C[NH+]=C(NCC[N@H+](C)C1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158590987 671981116 /nfs/dbraw/zinc/98/11/16/671981116.db2.gz MJCGZQNSXAKZHD-UHFFFAOYSA-N 2 2 358.552 1.335 20 30 FDEDLP C[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158590987 671981117 /nfs/dbraw/zinc/98/11/17/671981117.db2.gz MJCGZQNSXAKZHD-UHFFFAOYSA-N 2 2 358.552 1.335 20 30 FDEDLP C[NH+]=C(NCc1ccc(C)s1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261986487 672707658 /nfs/dbraw/zinc/70/76/58/672707658.db2.gz QEUBNUZQCUEFSY-UHFFFAOYSA-N 2 2 351.520 1.228 20 30 FDEDLP C[NH+]=C(NC[C@]1(O)CCSC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262714766 672834177 /nfs/dbraw/zinc/83/41/77/672834177.db2.gz DIHNPNXNBDPDAV-GOSISDBHSA-N 2 2 370.563 1.055 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437934038 681823007 /nfs/dbraw/zinc/82/30/07/681823007.db2.gz PCOIMMGDEKZVLU-WMZOPIPTSA-N 2 2 352.523 1.635 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437934038 681823018 /nfs/dbraw/zinc/82/30/18/681823018.db2.gz PCOIMMGDEKZVLU-WMZOPIPTSA-N 2 2 352.523 1.635 20 30 FDEDLP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969958171 771118984 /nfs/dbraw/zinc/11/89/84/771118984.db2.gz JGZXAQDKQWXCDC-ZRGWGRIASA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969958171 771118988 /nfs/dbraw/zinc/11/89/88/771118988.db2.gz JGZXAQDKQWXCDC-ZRGWGRIASA-N 2 2 356.470 1.214 20 30 FDEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@H]2C1 ZINC001083246071 783036330 /nfs/dbraw/zinc/03/63/30/783036330.db2.gz XVPRVGZMRRASBN-ZWKOTPCHSA-N 2 2 353.426 1.369 20 30 FDEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@H]2C1 ZINC001083246071 783036332 /nfs/dbraw/zinc/03/63/32/783036332.db2.gz XVPRVGZMRRASBN-ZWKOTPCHSA-N 2 2 353.426 1.369 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377770799 792760461 /nfs/dbraw/zinc/76/04/61/792760461.db2.gz QHVOXOXMHAUCNJ-QZTJIDSGSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377770799 792760462 /nfs/dbraw/zinc/76/04/62/792760462.db2.gz QHVOXOXMHAUCNJ-QZTJIDSGSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377770799 792760467 /nfs/dbraw/zinc/76/04/67/792760467.db2.gz QHVOXOXMHAUCNJ-QZTJIDSGSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377770799 792760471 /nfs/dbraw/zinc/76/04/71/792760471.db2.gz QHVOXOXMHAUCNJ-QZTJIDSGSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001105330257 796148623 /nfs/dbraw/zinc/14/86/23/796148623.db2.gz XRUHKYDUTRCZOK-IAGOWNOFSA-N 2 2 369.473 1.254 20 30 FDEDLP C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000636638565 800910760 /nfs/dbraw/zinc/91/07/60/800910760.db2.gz FIGLTOHZYIZZHI-UHFFFAOYSA-N 2 2 364.534 1.380 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](Cc3cccc(C#N)c3)CC2)O1 ZINC000981435595 808040472 /nfs/dbraw/zinc/04/04/72/808040472.db2.gz LXOWJRJPBFDVCF-VQIMIIECSA-N 2 2 356.470 1.312 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](Cc3cccc(C#N)c3)CC2)O1 ZINC000981435595 808040476 /nfs/dbraw/zinc/04/04/76/808040476.db2.gz LXOWJRJPBFDVCF-VQIMIIECSA-N 2 2 356.470 1.312 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)O1 ZINC000981435595 808040488 /nfs/dbraw/zinc/04/04/88/808040488.db2.gz LXOWJRJPBFDVCF-VQIMIIECSA-N 2 2 356.470 1.312 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)O1 ZINC000981435595 808040497 /nfs/dbraw/zinc/04/04/97/808040497.db2.gz LXOWJRJPBFDVCF-VQIMIIECSA-N 2 2 356.470 1.312 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262004589 811364832 /nfs/dbraw/zinc/36/48/32/811364832.db2.gz VGWRFSJVQDFTRC-RDTXWAMCSA-N 3 2 367.501 1.723 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262004589 811364837 /nfs/dbraw/zinc/36/48/37/811364837.db2.gz VGWRFSJVQDFTRC-RDTXWAMCSA-N 3 2 367.501 1.723 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000516870960 817074702 /nfs/dbraw/zinc/07/47/02/817074702.db2.gz SPPKSOOOCMNBRP-GOSISDBHSA-N 2 2 359.470 1.124 20 30 FDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)CC1 ZINC000517561023 817486753 /nfs/dbraw/zinc/48/67/53/817486753.db2.gz HRSBLVRTVBXECQ-UHFFFAOYSA-N 2 2 363.458 1.308 20 30 FDEDLP Cc1ccn(C)c(=O)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000328611773 819517584 /nfs/dbraw/zinc/51/75/84/819517584.db2.gz OTYGYJLJUVTMOQ-UHFFFAOYSA-N 2 2 361.490 1.578 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)[C@@H]2CC)CC1 ZINC001087840472 822559644 /nfs/dbraw/zinc/55/96/44/822559644.db2.gz ZCUAXWZBLLKAEI-ZWKOTPCHSA-N 2 2 357.502 1.234 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)[C@@H]2CC)CC1 ZINC001087840472 822559647 /nfs/dbraw/zinc/55/96/47/822559647.db2.gz ZCUAXWZBLLKAEI-ZWKOTPCHSA-N 2 2 357.502 1.234 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)cc1 ZINC000895527373 822638210 /nfs/dbraw/zinc/63/82/10/822638210.db2.gz YPSOUYADONGNMR-FQEVSTJZSA-N 2 2 368.481 1.313 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)cc1 ZINC000895527373 822638212 /nfs/dbraw/zinc/63/82/12/822638212.db2.gz YPSOUYADONGNMR-FQEVSTJZSA-N 2 2 368.481 1.313 20 30 FDEDLP [O-]C(=[NH+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330298950 825826084 /nfs/dbraw/zinc/82/60/84/825826084.db2.gz HSTGASCHKUVKNE-MSOLQXFVSA-N 2 2 361.490 1.812 20 30 FDEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330298950 825826096 /nfs/dbraw/zinc/82/60/96/825826096.db2.gz HSTGASCHKUVKNE-MSOLQXFVSA-N 2 2 361.490 1.812 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](O)C34CCCC4)CC2)CC1 ZINC000330360908 825982617 /nfs/dbraw/zinc/98/26/17/825982617.db2.gz XRVLMPQKUNRPEM-SFHVURJKSA-N 2 2 364.534 1.838 20 30 FDEDLP CN(C(=O)NCc1nc(C#N)cs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000897282763 827696572 /nfs/dbraw/zinc/69/65/72/827696572.db2.gz UHVAFPUYKRVXTP-OAHLLOKOSA-N 2 2 362.503 1.325 20 30 FDEDLP CN(C(=O)NCc1nc(C#N)cs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000897282763 827696575 /nfs/dbraw/zinc/69/65/75/827696575.db2.gz UHVAFPUYKRVXTP-OAHLLOKOSA-N 2 2 362.503 1.325 20 30 FDEDLP CN(C(=O)c1cnn(C)c1C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000527252657 829004767 /nfs/dbraw/zinc/00/47/67/829004767.db2.gz XDNSGXFUYFSERL-MSOLQXFVSA-N 2 2 372.517 1.701 20 30 FDEDLP CN(C(=O)c1cnn(C)c1C#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000527252657 829004776 /nfs/dbraw/zinc/00/47/76/829004776.db2.gz XDNSGXFUYFSERL-MSOLQXFVSA-N 2 2 372.517 1.701 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105622463 842246201 /nfs/dbraw/zinc/24/62/01/842246201.db2.gz BALFXJWCRMKEAY-XNFNUYLZSA-N 2 2 358.486 1.332 20 30 FDEDLP C[NH+]=C(NCC(=O)NC1CCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160117921 848319412 /nfs/dbraw/zinc/31/94/12/848319412.db2.gz CCBATBZTQHCPLP-RDJZCZTQSA-N 2 2 360.506 1.790 20 30 FDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001106460960 875446302 /nfs/dbraw/zinc/44/63/02/875446302.db2.gz CLKYOMBERHVBDM-MKXGPGLRSA-N 2 2 365.518 1.126 20 30 FDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cccc([C@H](C#N)C(=O)OC(C)(C)C)n2)CC1 ZINC001168735497 879455616 /nfs/dbraw/zinc/45/56/16/879455616.db2.gz RKTIMUDEFVJVQE-ZDUSSCGKSA-N 2 2 358.446 1.625 20 30 FDEDLP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)CC1 ZINC001083182678 912612893 /nfs/dbraw/zinc/61/28/93/912612893.db2.gz RQNJABANKORMRE-LEWJYISDSA-N 2 2 367.493 1.292 20 30 FDEDLP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)CC1 ZINC001083182678 912612898 /nfs/dbraw/zinc/61/28/98/912612898.db2.gz RQNJABANKORMRE-LEWJYISDSA-N 2 2 367.493 1.292 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3C#N)CC2)O1 ZINC001005574097 884669322 /nfs/dbraw/zinc/66/93/22/884669322.db2.gz GZTDXYRTSDLBMT-OXQOHEQNSA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3C#N)CC2)O1 ZINC001005574097 884669334 /nfs/dbraw/zinc/66/93/34/884669334.db2.gz GZTDXYRTSDLBMT-OXQOHEQNSA-N 2 2 370.497 1.700 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000246101320 884799042 /nfs/dbraw/zinc/79/90/42/884799042.db2.gz BUTMQNBLCNGSPW-UXHICEINSA-N 2 2 367.497 1.375 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000246101320 884799050 /nfs/dbraw/zinc/79/90/50/884799050.db2.gz BUTMQNBLCNGSPW-UXHICEINSA-N 2 2 367.497 1.375 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001031684307 887422681 /nfs/dbraw/zinc/42/26/81/887422681.db2.gz KIFMCDUMULMRFY-VQTJNVASSA-N 2 2 357.473 1.956 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC001031684307 887422687 /nfs/dbraw/zinc/42/26/87/887422687.db2.gz KIFMCDUMULMRFY-VQTJNVASSA-N 2 2 357.473 1.956 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656191563 899010884 /nfs/dbraw/zinc/01/08/84/899010884.db2.gz AZJHDJHERBHLOU-KSZLIROESA-N 2 2 350.507 1.530 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656191563 899010903 /nfs/dbraw/zinc/01/09/03/899010903.db2.gz AZJHDJHERBHLOU-KSZLIROESA-N 2 2 350.507 1.530 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001079135656 902001201 /nfs/dbraw/zinc/00/12/01/902001201.db2.gz FRPMWMHKHMNGKK-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001079135656 902001211 /nfs/dbraw/zinc/00/12/11/902001211.db2.gz FRPMWMHKHMNGKK-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001079135656 902001222 /nfs/dbraw/zinc/00/12/22/902001222.db2.gz FRPMWMHKHMNGKK-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001079135656 902001227 /nfs/dbraw/zinc/00/12/27/902001227.db2.gz FRPMWMHKHMNGKK-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081675913 904923722 /nfs/dbraw/zinc/92/37/22/904923722.db2.gz LWQYRFSEZNPHGF-VAMGGRTRSA-N 2 2 368.481 1.215 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081675913 904923726 /nfs/dbraw/zinc/92/37/26/904923726.db2.gz LWQYRFSEZNPHGF-VAMGGRTRSA-N 2 2 368.481 1.215 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1OC ZINC001081810341 905132996 /nfs/dbraw/zinc/13/29/96/905132996.db2.gz VDPKXZPCNLFTNR-HSALFYBXSA-N 2 2 355.482 1.142 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1OC ZINC001081810341 905132998 /nfs/dbraw/zinc/13/29/98/905132998.db2.gz VDPKXZPCNLFTNR-HSALFYBXSA-N 2 2 355.482 1.142 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2)C[C@H]1OC ZINC001081810341 905133002 /nfs/dbraw/zinc/13/30/02/905133002.db2.gz VDPKXZPCNLFTNR-HSALFYBXSA-N 2 2 355.482 1.142 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2)C[C@H]1OC ZINC001081810341 905133004 /nfs/dbraw/zinc/13/30/04/905133004.db2.gz VDPKXZPCNLFTNR-HSALFYBXSA-N 2 2 355.482 1.142 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080446865 905451329 /nfs/dbraw/zinc/45/13/29/905451329.db2.gz RZVROAQYHPKVQH-QMTMVMCOSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080446865 905451342 /nfs/dbraw/zinc/45/13/42/905451342.db2.gz RZVROAQYHPKVQH-QMTMVMCOSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446865 905451349 /nfs/dbraw/zinc/45/13/49/905451349.db2.gz RZVROAQYHPKVQH-QMTMVMCOSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446865 905451358 /nfs/dbraw/zinc/45/13/58/905451358.db2.gz RZVROAQYHPKVQH-QMTMVMCOSA-N 2 2 358.461 1.976 20 30 FDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+]4CCOCC4)CCCC3)CCC[C@@H]12 ZINC001107563803 905605547 /nfs/dbraw/zinc/60/55/47/905605547.db2.gz TWJDQMHSFORULF-UYAOXDASSA-N 2 2 359.514 1.625 20 30 FDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+]4CCOCC4)CCCC3)CCC[C@@H]12 ZINC001107563803 905605557 /nfs/dbraw/zinc/60/55/57/905605557.db2.gz TWJDQMHSFORULF-UYAOXDASSA-N 2 2 359.514 1.625 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271588 906459345 /nfs/dbraw/zinc/45/93/45/906459345.db2.gz IWDKULVZGRBDPK-WOJBJXKFSA-N 2 2 370.497 1.606 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271588 906459355 /nfs/dbraw/zinc/45/93/55/906459355.db2.gz IWDKULVZGRBDPK-WOJBJXKFSA-N 2 2 370.497 1.606 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]2C)CC1 ZINC001080997381 906969645 /nfs/dbraw/zinc/96/96/45/906969645.db2.gz BAQUHDJJKNEKQJ-DNVCBOLYSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]2C)CC1 ZINC001080997381 906969652 /nfs/dbraw/zinc/96/96/52/906969652.db2.gz BAQUHDJJKNEKQJ-DNVCBOLYSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nnc(C)o3)C[C@H]2C)CC1 ZINC001080997729 906972835 /nfs/dbraw/zinc/97/28/35/906972835.db2.gz JVTOUKDBZOKHSD-JKIFEVAISA-N 2 2 359.474 1.221 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nnc(C)o3)C[C@H]2C)CC1 ZINC001080997729 906972841 /nfs/dbraw/zinc/97/28/41/906972841.db2.gz JVTOUKDBZOKHSD-JKIFEVAISA-N 2 2 359.474 1.221 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1c1ccccc1 ZINC001081151223 907264687 /nfs/dbraw/zinc/26/46/87/907264687.db2.gz AWBVPPYJGPVANP-PWRODBHTSA-N 2 2 369.509 1.705 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1c1ccccc1 ZINC001081151223 907264707 /nfs/dbraw/zinc/26/47/07/907264707.db2.gz AWBVPPYJGPVANP-PWRODBHTSA-N 2 2 369.509 1.705 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082658836 909427802 /nfs/dbraw/zinc/42/78/02/909427802.db2.gz ANLKIGDPUIPXDC-CRAIPNDOSA-N 2 2 351.454 1.861 20 30 FDEDLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084662734 915923505 /nfs/dbraw/zinc/92/35/05/915923505.db2.gz VGVRNSJQXVXSQG-HMXCVIKNSA-N 2 2 351.494 1.913 20 30 FDEDLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084662734 915923510 /nfs/dbraw/zinc/92/35/10/915923510.db2.gz VGVRNSJQXVXSQG-HMXCVIKNSA-N 2 2 351.494 1.913 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084662734 915923511 /nfs/dbraw/zinc/92/35/11/915923511.db2.gz VGVRNSJQXVXSQG-HMXCVIKNSA-N 2 2 351.494 1.913 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084662734 915923513 /nfs/dbraw/zinc/92/35/13/915923513.db2.gz VGVRNSJQXVXSQG-HMXCVIKNSA-N 2 2 351.494 1.913 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000732778910 920127542 /nfs/dbraw/zinc/12/75/42/920127542.db2.gz FUFULGJRNRGRQN-IBGZPJMESA-N 2 2 368.481 1.548 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000732778910 920127550 /nfs/dbraw/zinc/12/75/50/920127550.db2.gz FUFULGJRNRGRQN-IBGZPJMESA-N 2 2 368.481 1.548 20 30 FDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231139 925709132 /nfs/dbraw/zinc/70/91/32/925709132.db2.gz MBYKKAVGQBWNME-SVFBPWRDSA-N 2 2 357.498 1.725 20 30 FDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231139 925709139 /nfs/dbraw/zinc/70/91/39/925709139.db2.gz MBYKKAVGQBWNME-SVFBPWRDSA-N 2 2 357.498 1.725 20 30 FDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231139 925709146 /nfs/dbraw/zinc/70/91/46/925709146.db2.gz MBYKKAVGQBWNME-SVFBPWRDSA-N 2 2 357.498 1.725 20 30 FDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231139 925709150 /nfs/dbraw/zinc/70/91/50/925709150.db2.gz MBYKKAVGQBWNME-SVFBPWRDSA-N 2 2 357.498 1.725 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)cc1 ZINC001109848169 930588706 /nfs/dbraw/zinc/58/87/06/930588706.db2.gz ZOSZJLVQPVAKNY-AABGKKOBSA-N 2 2 368.481 1.502 20 30 FDEDLP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)cc1 ZINC001109848169 930588713 /nfs/dbraw/zinc/58/87/13/930588713.db2.gz ZOSZJLVQPVAKNY-AABGKKOBSA-N 2 2 368.481 1.502 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130107182 938687180 /nfs/dbraw/zinc/68/71/80/938687180.db2.gz HZVPUSHMJFXJFE-XKQJLSEDSA-N 2 2 357.462 1.249 20 30 FDEDLP Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCOCCOCC[NH3+])[nH+]1 ZINC001170507186 939914912 /nfs/dbraw/zinc/91/49/12/939914912.db2.gz GVFBSAHYLWNBDC-VGNXUAKHSA-N 2 2 370.519 1.675 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131079439 940492198 /nfs/dbraw/zinc/49/21/98/940492198.db2.gz LLKVTPUSXKBVGG-USXIJHARSA-N 2 2 356.474 1.625 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131106297 940501897 /nfs/dbraw/zinc/50/18/97/940501897.db2.gz TWGXUAPUNLTAOE-HZPDHXFCSA-N 2 2 370.501 1.971 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001131562451 940736094 /nfs/dbraw/zinc/73/60/94/940736094.db2.gz TVTUQPDLVWDWLP-POAQFYNOSA-N 2 2 370.497 1.839 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001131564512 940740423 /nfs/dbraw/zinc/74/04/23/940740423.db2.gz MNYSFXDONPUCKU-MLYOOKFZSA-N 2 2 370.497 1.533 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(F)cc1OCC#N ZINC000821860970 944738257 /nfs/dbraw/zinc/73/82/57/944738257.db2.gz LBLHLDYIJDCZHY-UHFFFAOYSA-N 2 2 351.426 1.733 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(F)cc1OCC#N ZINC000821860970 944738263 /nfs/dbraw/zinc/73/82/63/944738263.db2.gz LBLHLDYIJDCZHY-UHFFFAOYSA-N 2 2 351.426 1.733 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1ccc(OC)cc1 ZINC001090884566 947645402 /nfs/dbraw/zinc/64/54/02/947645402.db2.gz WCZDBIXZRVAPHC-ZWKOTPCHSA-N 2 2 366.465 1.913 20 30 FDEDLP NC(=O)c1ccc(C(=[NH2+])Nc2ccccc2C(=O)NC2CC[NH2+]CC2)cc1 ZINC001171258902 951727871 /nfs/dbraw/zinc/72/78/71/951727871.db2.gz OZLZFYJEXONBTN-UHFFFAOYSA-N 2 2 365.437 1.304 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001086999868 953048824 /nfs/dbraw/zinc/04/88/24/953048824.db2.gz ZJHPUOVXLXYIFF-RYQLBKOJSA-N 2 2 356.474 1.728 20 30 FDEDLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(-c2cccc(C#N)c2)on1 ZINC001196776429 971926804 /nfs/dbraw/zinc/92/68/04/971926804.db2.gz RUSVYWPCHWGHCQ-UHFFFAOYSA-N 2 2 354.414 1.891 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946881 953811955 /nfs/dbraw/zinc/81/19/55/953811955.db2.gz PPEVJMYFQBKYBV-LMNJBCLMSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946881 953811967 /nfs/dbraw/zinc/81/19/67/953811967.db2.gz PPEVJMYFQBKYBV-LMNJBCLMSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946881 953811972 /nfs/dbraw/zinc/81/19/72/953811972.db2.gz PPEVJMYFQBKYBV-LMNJBCLMSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946881 953811989 /nfs/dbraw/zinc/81/19/89/953811989.db2.gz PPEVJMYFQBKYBV-LMNJBCLMSA-N 2 2 361.530 1.986 20 30 FDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@]2(C)C1 ZINC001092098098 954291880 /nfs/dbraw/zinc/29/18/80/954291880.db2.gz NEOFSWMXGSCGLO-UTKZUKDTSA-N 2 2 350.466 1.989 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@]2(C)C1 ZINC001092098098 954291885 /nfs/dbraw/zinc/29/18/85/954291885.db2.gz NEOFSWMXGSCGLO-UTKZUKDTSA-N 2 2 350.466 1.989 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]ccc3OC)[C@@H]2C(C)C)C[C@H]1O ZINC001093451703 958133916 /nfs/dbraw/zinc/13/39/16/958133916.db2.gz XAUWEKFNAQOMBT-DGQTTZFYSA-N 2 2 371.481 1.232 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093455124 958271975 /nfs/dbraw/zinc/27/19/75/958271975.db2.gz KOUZTTXWKMQPSO-XNFNUYLZSA-N 2 2 360.502 1.505 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001186196042 964343519 /nfs/dbraw/zinc/34/35/19/964343519.db2.gz DUBACRIACUWRNR-VQIMIIECSA-N 2 2 354.429 1.946 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001186196042 964343527 /nfs/dbraw/zinc/34/35/27/964343527.db2.gz DUBACRIACUWRNR-VQIMIIECSA-N 2 2 354.429 1.946 20 30 FDEDLP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852869712 967675331 /nfs/dbraw/zinc/67/53/31/967675331.db2.gz DYKGBXCRCLMTHA-YLJYHZDGSA-N 2 2 355.482 1.395 20 30 FDEDLP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852869712 967675336 /nfs/dbraw/zinc/67/53/36/967675336.db2.gz DYKGBXCRCLMTHA-YLJYHZDGSA-N 2 2 355.482 1.395 20 30 FDEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001194243744 970069129 /nfs/dbraw/zinc/06/91/29/970069129.db2.gz CHRHDWIMOFUXJZ-HUUCEWRRSA-N 2 2 350.488 1.011 20 30 FDEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001194243744 970069138 /nfs/dbraw/zinc/06/91/38/970069138.db2.gz CHRHDWIMOFUXJZ-HUUCEWRRSA-N 2 2 350.488 1.011 20 30 FDEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001194243744 970069144 /nfs/dbraw/zinc/06/91/44/970069144.db2.gz CHRHDWIMOFUXJZ-HUUCEWRRSA-N 2 2 350.488 1.011 20 30 FDEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001194243744 970069148 /nfs/dbraw/zinc/06/91/48/970069148.db2.gz CHRHDWIMOFUXJZ-HUUCEWRRSA-N 2 2 350.488 1.011 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001199071189 973889176 /nfs/dbraw/zinc/88/91/76/973889176.db2.gz NILDZEDEBQMXRR-IAGOWNOFSA-N 2 2 362.499 1.157 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001199071189 973889179 /nfs/dbraw/zinc/88/91/79/973889179.db2.gz NILDZEDEBQMXRR-IAGOWNOFSA-N 2 2 362.499 1.157 20 30 FDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110567067 975056738 /nfs/dbraw/zinc/05/67/38/975056738.db2.gz XMPXHXLQBOTKJW-MLHJIOFPSA-N 2 2 374.529 1.110 20 30 FDEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110567067 975056746 /nfs/dbraw/zinc/05/67/46/975056746.db2.gz XMPXHXLQBOTKJW-MLHJIOFPSA-N 2 2 374.529 1.110 20 30 FDEDLP C#CCC1(O)CC[NH+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000880477872 979218213 /nfs/dbraw/zinc/21/82/13/979218213.db2.gz OHLLIJDCAKTTRM-LJQANCHMSA-N 2 2 369.509 1.742 20 30 FDEDLP C=CCC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCO1 ZINC000883371344 982099634 /nfs/dbraw/zinc/09/96/34/982099634.db2.gz HDWRWSALVASVRT-SLFFLAALSA-N 2 2 351.535 1.886 20 30 FDEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883371871 982100459 /nfs/dbraw/zinc/10/04/59/982100459.db2.gz CKNCIASMEPLJQB-HXUWFJFHSA-N 2 2 357.498 1.585 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000884186277 982961998 /nfs/dbraw/zinc/96/19/98/982961998.db2.gz WCMMCGIBBABWCR-IBGZPJMESA-N 2 2 373.497 1.981 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3ccc(OCC#N)cc3)c2)CC1 ZINC000870667738 986214475 /nfs/dbraw/zinc/21/44/75/986214475.db2.gz IMUOIERWEDFPBN-UHFFFAOYSA-N 2 2 365.437 1.917 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000876769768 992892391 /nfs/dbraw/zinc/89/23/91/992892391.db2.gz ZOMHLQZRYPCOIM-GJZGRUSLSA-N 2 2 351.882 1.178 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000876895702 992955707 /nfs/dbraw/zinc/95/57/07/992955707.db2.gz IVSIIWFTUDMXIL-QGZVFWFLSA-N 2 2 364.877 1.759 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886286 994488300 /nfs/dbraw/zinc/48/83/00/994488300.db2.gz VALYLLCHKURKGY-VQHPVUNQSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886286 994488326 /nfs/dbraw/zinc/48/83/26/994488326.db2.gz VALYLLCHKURKGY-VQHPVUNQSA-N 2 2 362.518 1.273 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591157 995056858 /nfs/dbraw/zinc/05/68/58/995056858.db2.gz KMTIYGIUQJSSGL-QGZVFWFLSA-N 2 2 361.534 1.429 20 30 FDEDLP COc1ccc(CNC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC000264147213 997414453 /nfs/dbraw/zinc/41/44/53/997414453.db2.gz YCSPKDUWWHBJLB-MRXNPFEDSA-N 2 2 364.490 1.465 20 30 FDEDLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000266994376 999285251 /nfs/dbraw/zinc/28/52/51/999285251.db2.gz WWFBPJHNCYJCQH-KRWDZBQOSA-N 2 2 370.453 1.899 20 30 FDEDLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1C#N ZINC000285545851 999915108 /nfs/dbraw/zinc/91/51/08/999915108.db2.gz QJSDLBQXWOHISQ-AYHJJNSGSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1C#N ZINC000285545851 999915110 /nfs/dbraw/zinc/91/51/10/999915110.db2.gz QJSDLBQXWOHISQ-AYHJJNSGSA-N 2 2 356.470 1.740 20 30 FDEDLP CN(C(=O)C1(C#N)CCSCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932577279 1005020533 /nfs/dbraw/zinc/02/05/33/1005020533.db2.gz JTJVMLFBQMWFBT-INIZCTEOSA-N 2 2 350.532 1.650 20 30 FDEDLP CN(C(=O)C1(C#N)CCSCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932577279 1005020537 /nfs/dbraw/zinc/02/05/37/1005020537.db2.gz JTJVMLFBQMWFBT-INIZCTEOSA-N 2 2 350.532 1.650 20 30 FDEDLP C#CCC1([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC1 ZINC000933302937 1005535414 /nfs/dbraw/zinc/53/54/14/1005535414.db2.gz KSJKJIRUBJOGEG-UHFFFAOYSA-N 2 2 355.482 1.671 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267975 1007405331 /nfs/dbraw/zinc/40/53/31/1007405331.db2.gz QEMPRCMQOXTPNB-XWSHUIEDSA-N 2 2 369.509 1.835 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267975 1007405337 /nfs/dbraw/zinc/40/53/37/1007405337.db2.gz QEMPRCMQOXTPNB-XWSHUIEDSA-N 2 2 369.509 1.835 20 30 FDEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C#N ZINC000535014263 540439298 /nfs/dbraw/zinc/43/92/98/540439298.db2.gz VATNPYNHWVIECD-OXQOHEQNSA-N 2 2 370.497 1.803 20 30 FDEDLP COC(=O)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C#N ZINC000535014263 540439299 /nfs/dbraw/zinc/43/92/99/540439299.db2.gz VATNPYNHWVIECD-OXQOHEQNSA-N 2 2 370.497 1.803 20 30 FDEDLP C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426923 260706824 /nfs/dbraw/zinc/70/68/24/260706824.db2.gz ZMMQDLJLBWKATD-HXUWFJFHSA-N 2 2 369.513 1.275 20 30 FDEDLP C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426923 260706826 /nfs/dbraw/zinc/70/68/26/260706826.db2.gz ZMMQDLJLBWKATD-HXUWFJFHSA-N 2 2 369.513 1.275 20 30 FDEDLP CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371426923 260706827 /nfs/dbraw/zinc/70/68/27/260706827.db2.gz ZMMQDLJLBWKATD-HXUWFJFHSA-N 2 2 369.513 1.275 20 30 FDEDLP CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371426923 260706828 /nfs/dbraw/zinc/70/68/28/260706828.db2.gz ZMMQDLJLBWKATD-HXUWFJFHSA-N 2 2 369.513 1.275 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000029857880 519327540 /nfs/dbraw/zinc/32/75/40/519327540.db2.gz DAGMXABKCXOLNR-UHFFFAOYSA-N 2 2 373.476 1.420 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974644 522440019 /nfs/dbraw/zinc/44/00/19/522440019.db2.gz SKRXEXRXXUGPGC-IKGGRYGDSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974644 522440020 /nfs/dbraw/zinc/44/00/20/522440020.db2.gz SKRXEXRXXUGPGC-IKGGRYGDSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072974644 522440031 /nfs/dbraw/zinc/44/00/31/522440031.db2.gz SKRXEXRXXUGPGC-IKGGRYGDSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072974644 522440035 /nfs/dbraw/zinc/44/00/35/522440035.db2.gz SKRXEXRXXUGPGC-IKGGRYGDSA-N 2 2 350.507 1.973 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000050025488 522878426 /nfs/dbraw/zinc/87/84/26/522878426.db2.gz GFRGVQXLUXQRIV-UHFFFAOYSA-N 2 2 355.482 1.480 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000051277272 523006078 /nfs/dbraw/zinc/00/60/78/523006078.db2.gz GDCOEHLOGULHNH-UHFFFAOYSA-N 2 2 355.486 1.916 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNc3ccc(C#N)cc3)CC2)CC1 ZINC000051463900 523028835 /nfs/dbraw/zinc/02/88/35/523028835.db2.gz VLIGTVRAHISOTK-UHFFFAOYSA-N 2 2 355.486 1.645 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000111124893 524203880 /nfs/dbraw/zinc/20/38/80/524203880.db2.gz JIJXKYVOQWFGHU-OAQYLSRUSA-N 2 2 369.509 1.391 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1ccc2c(c1)OCO2 ZINC000087233349 524420846 /nfs/dbraw/zinc/42/08/46/524420846.db2.gz JNKUZGKDNZVLQZ-UHFFFAOYSA-N 2 2 358.446 1.422 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000091593639 524735195 /nfs/dbraw/zinc/73/51/95/524735195.db2.gz JNRCOJYFDHAJMI-QRVBRYPASA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000091593639 524735202 /nfs/dbraw/zinc/73/52/02/524735202.db2.gz JNRCOJYFDHAJMI-QRVBRYPASA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000091593639 524735210 /nfs/dbraw/zinc/73/52/10/524735210.db2.gz JNRCOJYFDHAJMI-QRVBRYPASA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000091593639 524735221 /nfs/dbraw/zinc/73/52/21/524735221.db2.gz JNRCOJYFDHAJMI-QRVBRYPASA-N 2 2 361.534 1.095 20 30 FDEDLP N#Cc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(N)=O)cc1 ZINC000115595586 525032910 /nfs/dbraw/zinc/03/29/10/525032910.db2.gz KDQNTQLWDAMPNW-HXUWFJFHSA-N 2 2 364.449 1.707 20 30 FDEDLP N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C(N)=O)cc1 ZINC000115595562 525033532 /nfs/dbraw/zinc/03/35/32/525033532.db2.gz UYLIIKHDMDLVEL-HXUWFJFHSA-N 2 2 364.449 1.707 20 30 FDEDLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000164054044 525475263 /nfs/dbraw/zinc/47/52/63/525475263.db2.gz NDVKEMRPLOKXOC-SFHVURJKSA-N 2 2 352.438 1.824 20 30 FDEDLP C=C(C)COCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000127988121 525489506 /nfs/dbraw/zinc/48/95/06/525489506.db2.gz VLGFRBVNVQMTAI-JWTNVVGKSA-N 2 2 350.507 1.532 20 30 FDEDLP C=C(C)COCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000127988121 525489519 /nfs/dbraw/zinc/48/95/19/525489519.db2.gz VLGFRBVNVQMTAI-JWTNVVGKSA-N 2 2 350.507 1.532 20 30 FDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CCO[C@@H](COC)C1 ZINC000179263631 525549984 /nfs/dbraw/zinc/54/99/84/525549984.db2.gz QLZYYMYCGJUIFT-OAHLLOKOSA-N 2 2 352.504 1.029 20 30 FDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N1CCO[C@@H](COC)C1 ZINC000179263631 525549991 /nfs/dbraw/zinc/54/99/91/525549991.db2.gz QLZYYMYCGJUIFT-OAHLLOKOSA-N 2 2 352.504 1.029 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCO[C@H](COC)C1 ZINC000179265488 525550663 /nfs/dbraw/zinc/55/06/63/525550663.db2.gz QKFURZYBIJBLAQ-HNNXBMFYSA-N 2 2 361.421 1.434 20 30 FDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000170912421 525767605 /nfs/dbraw/zinc/76/76/05/525767605.db2.gz JPKGHQXKJNJPJY-UHFFFAOYSA-N 2 2 371.445 1.293 20 30 FDEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181042842 525796416 /nfs/dbraw/zinc/79/64/16/525796416.db2.gz QXNNDGRSIDGMJW-PKOBYXMFSA-N 2 2 371.481 1.282 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)CC1 ZINC000107371369 525879362 /nfs/dbraw/zinc/87/93/62/525879362.db2.gz GVILZXFPAPNYSH-FQEVSTJZSA-N 2 2 369.513 1.645 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)CC1 ZINC000107371369 525879367 /nfs/dbraw/zinc/87/93/67/525879367.db2.gz GVILZXFPAPNYSH-FQEVSTJZSA-N 2 2 369.513 1.645 20 30 FDEDLP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000171657881 526063210 /nfs/dbraw/zinc/06/32/10/526063210.db2.gz HPOLEFOEARKGHB-UHFFFAOYSA-N 2 2 374.529 1.863 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182571728 535826505 /nfs/dbraw/zinc/82/65/05/535826505.db2.gz GDFMURGIZSGBIJ-GURQWTFNSA-N 2 2 360.546 1.818 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571728 535826508 /nfs/dbraw/zinc/82/65/08/535826508.db2.gz GDFMURGIZSGBIJ-GURQWTFNSA-N 2 2 360.546 1.818 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182571728 535826514 /nfs/dbraw/zinc/82/65/14/535826514.db2.gz GDFMURGIZSGBIJ-GURQWTFNSA-N 2 2 360.546 1.818 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571728 535826519 /nfs/dbraw/zinc/82/65/19/535826519.db2.gz GDFMURGIZSGBIJ-GURQWTFNSA-N 2 2 360.546 1.818 20 30 FDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000183499681 535991913 /nfs/dbraw/zinc/99/19/13/535991913.db2.gz NMARCKZFJCJVKL-MRXNPFEDSA-N 2 2 365.518 1.807 20 30 FDEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000185815995 536218400 /nfs/dbraw/zinc/21/84/00/536218400.db2.gz XLTBGMWGNLPOEW-KSZLIROESA-N 2 2 370.501 1.954 20 30 FDEDLP CCN(CCC#N)C(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188284471 536288503 /nfs/dbraw/zinc/28/85/03/536288503.db2.gz LMPLMYUPFKLCDJ-HXUWFJFHSA-N 2 2 358.486 1.317 20 30 FDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188284471 536288504 /nfs/dbraw/zinc/28/85/04/536288504.db2.gz LMPLMYUPFKLCDJ-HXUWFJFHSA-N 2 2 358.486 1.317 20 30 FDEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188284471 536288505 /nfs/dbraw/zinc/28/85/05/536288505.db2.gz LMPLMYUPFKLCDJ-HXUWFJFHSA-N 2 2 358.486 1.317 20 30 FDEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188284471 536288506 /nfs/dbraw/zinc/28/85/06/536288506.db2.gz LMPLMYUPFKLCDJ-HXUWFJFHSA-N 2 2 358.486 1.317 20 30 FDEDLP C#CCN(Cc1ccc(F)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000270382858 537320562 /nfs/dbraw/zinc/32/05/62/537320562.db2.gz KRAPVQCQBOEFJF-UHFFFAOYSA-N 2 2 360.477 1.997 20 30 FDEDLP C=CCN1CC[C@@H]([NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000286008666 537401179 /nfs/dbraw/zinc/40/11/79/537401179.db2.gz PGTUTZANQBPPCA-NHCUHLMSSA-N 2 2 368.525 1.665 20 30 FDEDLP C=CCN1CC[C@@H]([NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000286008666 537401184 /nfs/dbraw/zinc/40/11/84/537401184.db2.gz PGTUTZANQBPPCA-NHCUHLMSSA-N 2 2 368.525 1.665 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000375900713 537793892 /nfs/dbraw/zinc/79/38/92/537793892.db2.gz HZWKTVSMWMLUNI-SFHVURJKSA-N 2 2 361.534 1.429 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000375900713 537793899 /nfs/dbraw/zinc/79/38/99/537793899.db2.gz HZWKTVSMWMLUNI-SFHVURJKSA-N 2 2 361.534 1.429 20 30 FDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000371293901 537806317 /nfs/dbraw/zinc/80/63/17/537806317.db2.gz IEZZQLJEKDABIW-GUDVDZBRSA-N 2 2 356.470 1.358 20 30 FDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000371293901 537806327 /nfs/dbraw/zinc/80/63/27/537806327.db2.gz IEZZQLJEKDABIW-GUDVDZBRSA-N 2 2 356.470 1.358 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000369187620 538001937 /nfs/dbraw/zinc/00/19/37/538001937.db2.gz IVTRSXHEDFENFS-HXUWFJFHSA-N 3 2 362.562 1.901 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000369187620 538001947 /nfs/dbraw/zinc/00/19/47/538001947.db2.gz IVTRSXHEDFENFS-HXUWFJFHSA-N 3 2 362.562 1.901 20 30 FDEDLP C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1C#N ZINC000562656674 546212027 /nfs/dbraw/zinc/21/20/27/546212027.db2.gz FDYKJNCAIGUDPV-QGZVFWFLSA-N 2 2 358.490 2.169 20 30 FDEDLP C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1C#N ZINC000562656674 546212032 /nfs/dbraw/zinc/21/20/32/546212032.db2.gz FDYKJNCAIGUDPV-QGZVFWFLSA-N 2 2 358.490 2.169 20 30 FDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000565838173 547502372 /nfs/dbraw/zinc/50/23/72/547502372.db2.gz WQZRFWPDMUJWPA-IBGZPJMESA-N 2 2 368.441 1.486 20 30 FDEDLP COC(=O)c1ccc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C#N)n1 ZINC000566478041 547775023 /nfs/dbraw/zinc/77/50/23/547775023.db2.gz FRASVOIZEOOLJM-UHFFFAOYSA-N 2 2 357.458 1.710 20 30 FDEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCSCc2ccccc2C#N)C[C@H](C)O1 ZINC000571396479 549628842 /nfs/dbraw/zinc/62/88/42/549628842.db2.gz FQCLLBLZWXSJGJ-JTDSTZFVSA-N 2 2 363.527 1.851 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCSCc2ccccc2C#N)C[C@H](C)O1 ZINC000571396479 549628847 /nfs/dbraw/zinc/62/88/47/549628847.db2.gz FQCLLBLZWXSJGJ-JTDSTZFVSA-N 2 2 363.527 1.851 20 30 FDEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCSCc2ccccc2C#N)C[C@@H](C)O1 ZINC000571396478 549629176 /nfs/dbraw/zinc/62/91/76/549629176.db2.gz FQCLLBLZWXSJGJ-GPMSIDNRSA-N 2 2 363.527 1.851 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC000574788515 550370933 /nfs/dbraw/zinc/37/09/33/550370933.db2.gz FVFORSLVEZSSQN-KRWDZBQOSA-N 2 2 358.486 1.559 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC000574788515 550370935 /nfs/dbraw/zinc/37/09/35/550370935.db2.gz FVFORSLVEZSSQN-KRWDZBQOSA-N 2 2 358.486 1.559 20 30 FDEDLP COC1CC[NH+](C2(CNC[C@H](O)C[N@H+](C)CCC#N)CCCC2)CC1 ZINC000582900333 551278743 /nfs/dbraw/zinc/27/87/43/551278743.db2.gz LWGBMVROZAHOLF-KRWDZBQOSA-N 2 2 352.523 1.206 20 30 FDEDLP COC1CC[NH+](C2(CNC[C@H](O)C[N@@H+](C)CCC#N)CCCC2)CC1 ZINC000582900333 551278745 /nfs/dbraw/zinc/27/87/45/551278745.db2.gz LWGBMVROZAHOLF-KRWDZBQOSA-N 2 2 352.523 1.206 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000582979691 551287921 /nfs/dbraw/zinc/28/79/21/551287921.db2.gz ZKFRUJFDFKYIHK-UHFFFAOYSA-N 2 2 373.501 1.035 20 30 FDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000584582474 551522019 /nfs/dbraw/zinc/52/20/19/551522019.db2.gz PFSDQCDCQBGMFC-SCTDSRPQSA-N 2 2 361.486 1.581 20 30 FDEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000584582474 551522022 /nfs/dbraw/zinc/52/20/22/551522022.db2.gz PFSDQCDCQBGMFC-SCTDSRPQSA-N 2 2 361.486 1.581 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H](C[NH3+])C1 ZINC000591278189 551855465 /nfs/dbraw/zinc/85/54/65/551855465.db2.gz ZHTBBEGCRNLEEE-INIZCTEOSA-N 2 2 366.425 1.852 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H](C[NH3+])C1 ZINC000591278189 551855466 /nfs/dbraw/zinc/85/54/66/551855466.db2.gz ZHTBBEGCRNLEEE-INIZCTEOSA-N 2 2 366.425 1.852 20 30 FDEDLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594446774 552312244 /nfs/dbraw/zinc/31/22/44/552312244.db2.gz SHLKZLDKDXXSIV-SFHVURJKSA-N 2 2 371.485 1.700 20 30 FDEDLP Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000594803134 552390821 /nfs/dbraw/zinc/39/08/21/552390821.db2.gz JQVWGDMUOPKQRI-HNNXBMFYSA-N 2 2 352.504 1.417 20 30 FDEDLP Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000594803134 552390822 /nfs/dbraw/zinc/39/08/22/552390822.db2.gz JQVWGDMUOPKQRI-HNNXBMFYSA-N 2 2 352.504 1.417 20 30 FDEDLP Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594804307 552391369 /nfs/dbraw/zinc/39/13/69/552391369.db2.gz WLSBJSMVPUWCQG-HNNXBMFYSA-N 2 2 352.504 1.417 20 30 FDEDLP Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594804307 552391370 /nfs/dbraw/zinc/39/13/70/552391370.db2.gz WLSBJSMVPUWCQG-HNNXBMFYSA-N 2 2 352.504 1.417 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000594821947 552398813 /nfs/dbraw/zinc/39/88/13/552398813.db2.gz QVCSBBZEIGAPIA-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000594821947 552398815 /nfs/dbraw/zinc/39/88/15/552398815.db2.gz QVCSBBZEIGAPIA-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP N#CC1(c2ccc(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)CC1 ZINC000594922692 552424109 /nfs/dbraw/zinc/42/41/09/552424109.db2.gz QBVYFZJESUTSSI-LJQANCHMSA-N 2 2 368.481 1.264 20 30 FDEDLP Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000595106843 552452811 /nfs/dbraw/zinc/45/28/11/552452811.db2.gz MWBZWYIICJYIFG-HNNXBMFYSA-N 2 2 359.474 1.193 20 30 FDEDLP Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000595106843 552452814 /nfs/dbraw/zinc/45/28/14/552452814.db2.gz MWBZWYIICJYIFG-HNNXBMFYSA-N 2 2 359.474 1.193 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000596841110 552716594 /nfs/dbraw/zinc/71/65/94/552716594.db2.gz YTRYZYKESMWVTN-UHFFFAOYSA-N 2 2 370.461 1.144 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000596841110 552716595 /nfs/dbraw/zinc/71/65/95/552716595.db2.gz YTRYZYKESMWVTN-UHFFFAOYSA-N 2 2 370.461 1.144 20 30 FDEDLP N#CC1(c2ccc(C[NH+]3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2)CC1 ZINC000596995540 552732445 /nfs/dbraw/zinc/73/24/45/552732445.db2.gz JGLHEEYDDYGAKI-UHFFFAOYSA-N 2 2 352.482 1.982 20 30 FDEDLP C[C@@H](CCC#N)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000602514630 553596717 /nfs/dbraw/zinc/59/67/17/553596717.db2.gz OYJNIQYQACKOOQ-INIZCTEOSA-N 2 2 365.503 1.063 20 30 FDEDLP C[N@H+](CCCC[NH+]1CCCCC1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000603122204 553712790 /nfs/dbraw/zinc/71/27/90/553712790.db2.gz VBZJBOHKVLRFAG-UHFFFAOYSA-N 2 2 364.515 1.925 20 30 FDEDLP C[N@@H+](CCCC[NH+]1CCCCC1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000603122204 553712794 /nfs/dbraw/zinc/71/27/94/553712794.db2.gz VBZJBOHKVLRFAG-UHFFFAOYSA-N 2 2 364.515 1.925 20 30 FDEDLP C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625467753 556816537 /nfs/dbraw/zinc/81/65/37/556816537.db2.gz AHNORMAAGUIONK-QGZVFWFLSA-N 2 2 364.534 1.332 20 30 FDEDLP C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625467753 556816538 /nfs/dbraw/zinc/81/65/38/556816538.db2.gz AHNORMAAGUIONK-QGZVFWFLSA-N 2 2 364.534 1.332 20 30 FDEDLP C[NH+]=C(NC[C@@H](C)[NH+]1CCC(C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262019336 672712547 /nfs/dbraw/zinc/71/25/47/672712547.db2.gz YMEVEZZAWFUCNM-OAHLLOKOSA-N 2 2 358.552 1.191 20 30 FDEDLP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)[C@H]2C1 ZINC000328824324 676608565 /nfs/dbraw/zinc/60/85/65/676608565.db2.gz IRVOAUCZDGEAAW-SQNIBIBYSA-N 2 2 351.491 1.838 20 30 FDEDLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)[C@H]2C1 ZINC000328824324 676608568 /nfs/dbraw/zinc/60/85/68/676608568.db2.gz IRVOAUCZDGEAAW-SQNIBIBYSA-N 2 2 351.491 1.838 20 30 FDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000328945073 676613270 /nfs/dbraw/zinc/61/32/70/676613270.db2.gz LYRDXLWKBCNUNE-FMKPAKJESA-N 2 2 351.495 1.366 20 30 FDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000328945073 676613273 /nfs/dbraw/zinc/61/32/73/676613273.db2.gz LYRDXLWKBCNUNE-FMKPAKJESA-N 2 2 351.495 1.366 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000371600004 677735790 /nfs/dbraw/zinc/73/57/90/677735790.db2.gz SSSIMIFEUIAWSD-SFHVURJKSA-N 2 2 368.547 1.144 20 30 FDEDLP CN(CC(=O)Nc1sccc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372365846 677903625 /nfs/dbraw/zinc/90/36/25/677903625.db2.gz LSEQJUCYDSULGG-INIZCTEOSA-N 2 2 361.515 1.659 20 30 FDEDLP CN(CC(=O)Nc1sccc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372365846 677903627 /nfs/dbraw/zinc/90/36/27/677903627.db2.gz LSEQJUCYDSULGG-INIZCTEOSA-N 2 2 361.515 1.659 20 30 FDEDLP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969957965 771117519 /nfs/dbraw/zinc/11/75/19/771117519.db2.gz IFORECXCPDHGLF-ZRGWGRIASA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969957965 771117524 /nfs/dbraw/zinc/11/75/24/771117524.db2.gz IFORECXCPDHGLF-ZRGWGRIASA-N 2 2 356.470 1.214 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000970013552 771199991 /nfs/dbraw/zinc/19/99/91/771199991.db2.gz YNLLFOKSMHLDML-DAXOMENPSA-N 2 2 355.467 1.847 20 30 FDEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000376739501 790499609 /nfs/dbraw/zinc/49/96/09/790499609.db2.gz ZGEBWFHYQLHKFM-UHFFFAOYSA-N 2 2 369.513 1.928 20 30 FDEDLP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCNc2cccc[nH+]2)CC1 ZINC000170905293 790725463 /nfs/dbraw/zinc/72/54/63/790725463.db2.gz AKXFQWCWMKKUFU-UHFFFAOYSA-N 2 2 362.478 1.751 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC#Cc2ccccc2)O1 ZINC001024507722 784971818 /nfs/dbraw/zinc/97/18/18/784971818.db2.gz XPBIDLRXWVNXBL-HLAWJBBLSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC#Cc2ccccc2)O1 ZINC001024507722 784971819 /nfs/dbraw/zinc/97/18/19/784971819.db2.gz XPBIDLRXWVNXBL-HLAWJBBLSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2)O1 ZINC001024507722 784971820 /nfs/dbraw/zinc/97/18/20/784971820.db2.gz XPBIDLRXWVNXBL-HLAWJBBLSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC#Cc2ccccc2)O1 ZINC001024507722 784971823 /nfs/dbraw/zinc/97/18/23/784971823.db2.gz XPBIDLRXWVNXBL-HLAWJBBLSA-N 2 2 369.509 1.728 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000128581894 806763618 /nfs/dbraw/zinc/76/36/18/806763618.db2.gz LFCUMVSNQXRBHZ-UHFFFAOYSA-N 2 2 355.482 1.555 20 30 FDEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043598 807684578 /nfs/dbraw/zinc/68/45/78/807684578.db2.gz SGUCZWCJAWSEPE-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043598 807684585 /nfs/dbraw/zinc/68/45/85/807684585.db2.gz SGUCZWCJAWSEPE-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087460184 810579372 /nfs/dbraw/zinc/57/93/72/810579372.db2.gz UOYDEIPYRFOBQB-RTBURBONSA-N 2 2 354.429 1.938 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087460184 810579376 /nfs/dbraw/zinc/57/93/76/810579376.db2.gz UOYDEIPYRFOBQB-RTBURBONSA-N 2 2 354.429 1.938 20 30 FDEDLP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262001977 811365414 /nfs/dbraw/zinc/36/54/14/811365414.db2.gz UQDYVPZDCVKNRI-GDBMZVCRSA-N 2 2 356.478 1.535 20 30 FDEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330623476 819628864 /nfs/dbraw/zinc/62/88/64/819628864.db2.gz PQCCYSWDLJJOCL-CVEARBPZSA-N 2 2 367.538 1.161 20 30 FDEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330623476 819628870 /nfs/dbraw/zinc/62/88/70/819628870.db2.gz PQCCYSWDLJJOCL-CVEARBPZSA-N 2 2 367.538 1.161 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccns2)[C@@H]1CC ZINC001087606960 821712835 /nfs/dbraw/zinc/71/28/35/821712835.db2.gz BRSSAUVYAYRKGS-KSZLIROESA-N 2 2 360.527 1.752 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccns2)[C@@H]1CC ZINC001087606960 821712844 /nfs/dbraw/zinc/71/28/44/821712844.db2.gz BRSSAUVYAYRKGS-KSZLIROESA-N 2 2 360.527 1.752 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccns2)[C@@H]1CC ZINC001087606960 821712848 /nfs/dbraw/zinc/71/28/48/821712848.db2.gz BRSSAUVYAYRKGS-KSZLIROESA-N 2 2 360.527 1.752 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccns2)[C@@H]1CC ZINC001087606960 821712855 /nfs/dbraw/zinc/71/28/55/821712855.db2.gz BRSSAUVYAYRKGS-KSZLIROESA-N 2 2 360.527 1.752 20 30 FDEDLP Cc1cc[nH+]c(N2CCN(C(NCC(=O)N(C)C)=[NH+]C3CCCC3)CC2)c1 ZINC000262249121 823781081 /nfs/dbraw/zinc/78/10/81/823781081.db2.gz BNLHJCQQHIHTTI-UHFFFAOYSA-N 2 2 372.517 1.488 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969721 824264028 /nfs/dbraw/zinc/26/40/28/824264028.db2.gz KBAGTZQCDGWDPR-YSTOQKLRSA-N 2 2 366.509 1.958 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969721 824264034 /nfs/dbraw/zinc/26/40/34/824264034.db2.gz KBAGTZQCDGWDPR-YSTOQKLRSA-N 2 2 366.509 1.958 20 30 FDEDLP C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000330256590 825770066 /nfs/dbraw/zinc/77/00/66/825770066.db2.gz KUHJIPDFFPMCEY-IKGGRYGDSA-N 2 2 368.522 1.195 20 30 FDEDLP C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000330256590 825770071 /nfs/dbraw/zinc/77/00/71/825770071.db2.gz KUHJIPDFFPMCEY-IKGGRYGDSA-N 2 2 368.522 1.195 20 30 FDEDLP O=C(CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000330266244 825781061 /nfs/dbraw/zinc/78/10/61/825781061.db2.gz PWFXGNWPANTOJH-KRWDZBQOSA-N 2 2 371.485 1.704 20 30 FDEDLP O=C(CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000330266244 825781071 /nfs/dbraw/zinc/78/10/71/825781071.db2.gz PWFXGNWPANTOJH-KRWDZBQOSA-N 2 2 371.485 1.704 20 30 FDEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC#CCN1C(=O)c3ccccc3C1=O)C2 ZINC000528519785 829436003 /nfs/dbraw/zinc/43/60/03/829436003.db2.gz WCDMFDQKBZILNX-OAQYLSRUSA-N 2 2 351.450 1.704 20 30 FDEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC#CCN1C(=O)c3ccccc3C1=O)C2 ZINC000528519785 829436007 /nfs/dbraw/zinc/43/60/07/829436007.db2.gz WCDMFDQKBZILNX-OAQYLSRUSA-N 2 2 351.450 1.704 20 30 FDEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC#CCN1C(=O)c3ccccc3C1=O)C2 ZINC000528519785 829436010 /nfs/dbraw/zinc/43/60/10/829436010.db2.gz WCDMFDQKBZILNX-OAQYLSRUSA-N 2 2 351.450 1.704 20 30 FDEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC#CCN1C(=O)c3ccccc3C1=O)C2 ZINC000528519785 829436013 /nfs/dbraw/zinc/43/60/13/829436013.db2.gz WCDMFDQKBZILNX-OAQYLSRUSA-N 2 2 351.450 1.704 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262839073 831638449 /nfs/dbraw/zinc/63/84/49/831638449.db2.gz WXJRRLNAKJUGSM-INIZCTEOSA-N 3 2 353.474 1.477 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262839073 831638454 /nfs/dbraw/zinc/63/84/54/831638454.db2.gz WXJRRLNAKJUGSM-INIZCTEOSA-N 3 2 353.474 1.477 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccc(OC)cc2)[C@@H]1C ZINC001088631900 838610808 /nfs/dbraw/zinc/61/08/08/838610808.db2.gz MKWWLXFPVDLMSH-QMMLZNLJSA-N 2 2 369.509 1.914 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccc(OC)cc2)[C@@H]1C ZINC001088631900 838610816 /nfs/dbraw/zinc/61/08/16/838610816.db2.gz MKWWLXFPVDLMSH-QMMLZNLJSA-N 2 2 369.509 1.914 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccc(OC)cc2)[C@@H]1C ZINC001088631900 838610825 /nfs/dbraw/zinc/61/08/25/838610825.db2.gz MKWWLXFPVDLMSH-QMMLZNLJSA-N 2 2 369.509 1.914 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccc(OC)cc2)[C@@H]1C ZINC001088631900 838610828 /nfs/dbraw/zinc/61/08/28/838610828.db2.gz MKWWLXFPVDLMSH-QMMLZNLJSA-N 2 2 369.509 1.914 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OC)cc2)[C@@H]1C ZINC001088631098 838621932 /nfs/dbraw/zinc/62/19/32/838621932.db2.gz QSPNFBIEBSOKFG-UXPWSPDFSA-N 2 2 355.482 1.872 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(OC)cc2)[C@@H]1C ZINC001088631098 838621933 /nfs/dbraw/zinc/62/19/33/838621933.db2.gz QSPNFBIEBSOKFG-UXPWSPDFSA-N 2 2 355.482 1.872 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(OC)cc2)[C@@H]1C ZINC001088631098 838621936 /nfs/dbraw/zinc/62/19/36/838621936.db2.gz QSPNFBIEBSOKFG-UXPWSPDFSA-N 2 2 355.482 1.872 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(OC)cc2)[C@@H]1C ZINC001088631098 838621945 /nfs/dbraw/zinc/62/19/45/838621945.db2.gz QSPNFBIEBSOKFG-UXPWSPDFSA-N 2 2 355.482 1.872 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC001075943542 841033509 /nfs/dbraw/zinc/03/35/09/841033509.db2.gz VWNBESXLYBKGPO-GFOJFJKKSA-N 2 2 367.493 1.290 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC001075943542 841033517 /nfs/dbraw/zinc/03/35/17/841033517.db2.gz VWNBESXLYBKGPO-GFOJFJKKSA-N 2 2 367.493 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC001075943542 841033527 /nfs/dbraw/zinc/03/35/27/841033527.db2.gz VWNBESXLYBKGPO-GFOJFJKKSA-N 2 2 367.493 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC001075943542 841033538 /nfs/dbraw/zinc/03/35/38/841033538.db2.gz VWNBESXLYBKGPO-GFOJFJKKSA-N 2 2 367.493 1.290 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673560 845402415 /nfs/dbraw/zinc/40/24/15/845402415.db2.gz MYHJCBIHACEGFX-LFGUQSLTSA-N 2 2 358.486 1.263 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H](C2CC2)[NH+](C)C)CC1=O ZINC000153983343 881606672 /nfs/dbraw/zinc/60/66/72/881606672.db2.gz YDVBPHZERMAFKX-MRXNPFEDSA-N 2 2 353.470 1.986 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)no3)[C@@H]2C)CC1 ZINC001089059218 866384889 /nfs/dbraw/zinc/38/48/89/866384889.db2.gz DXFNITBVHKJPLI-PBHICJAKSA-N 2 2 360.458 1.107 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)no3)[C@@H]2C)CC1 ZINC001089059218 866384902 /nfs/dbraw/zinc/38/49/02/866384902.db2.gz DXFNITBVHKJPLI-PBHICJAKSA-N 2 2 360.458 1.107 20 30 FDEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106130735 869252491 /nfs/dbraw/zinc/25/24/91/869252491.db2.gz BVIYUQBSLGWJEI-RHSMWYFYSA-N 2 2 369.469 1.243 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000914380577 872610689 /nfs/dbraw/zinc/61/06/89/872610689.db2.gz WMYJFXMUKJYEEO-UHFFFAOYSA-N 2 2 355.417 1.908 20 30 FDEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034322016 884175739 /nfs/dbraw/zinc/17/57/39/884175739.db2.gz DVUMXAGWGRTLLE-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034322016 884175744 /nfs/dbraw/zinc/17/57/44/884175744.db2.gz DVUMXAGWGRTLLE-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000373114326 887109471 /nfs/dbraw/zinc/10/94/71/887109471.db2.gz YMHZGNAZDGPTKP-QZTJIDSGSA-N 2 2 372.517 1.292 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000373114326 887109476 /nfs/dbraw/zinc/10/94/76/887109476.db2.gz YMHZGNAZDGPTKP-QZTJIDSGSA-N 2 2 372.517 1.292 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000921339826 887710214 /nfs/dbraw/zinc/71/02/14/887710214.db2.gz MWDWKGQFFGNLPV-UHFFFAOYSA-N 2 2 370.501 1.459 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084232229 913784136 /nfs/dbraw/zinc/78/41/36/913784136.db2.gz XNESFDHHTCVBSS-ATZDWAIDSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084232229 913784152 /nfs/dbraw/zinc/78/41/52/913784152.db2.gz XNESFDHHTCVBSS-ATZDWAIDSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084232229 913784163 /nfs/dbraw/zinc/78/41/63/913784163.db2.gz XNESFDHHTCVBSS-ATZDWAIDSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084232229 913784177 /nfs/dbraw/zinc/78/41/77/913784177.db2.gz XNESFDHHTCVBSS-ATZDWAIDSA-N 2 2 356.445 1.824 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC001084418174 914381517 /nfs/dbraw/zinc/38/15/17/914381517.db2.gz YXMLWCZFHJRFQU-YZGWKJHDSA-N 2 2 355.457 1.956 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC001084418174 914381531 /nfs/dbraw/zinc/38/15/31/914381531.db2.gz YXMLWCZFHJRFQU-YZGWKJHDSA-N 2 2 355.457 1.956 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(F)c3)C[C@H]21 ZINC001084418174 914381565 /nfs/dbraw/zinc/38/15/65/914381565.db2.gz YXMLWCZFHJRFQU-YZGWKJHDSA-N 2 2 355.457 1.956 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(F)c3)C[C@H]21 ZINC001084418174 914381585 /nfs/dbraw/zinc/38/15/85/914381585.db2.gz YXMLWCZFHJRFQU-YZGWKJHDSA-N 2 2 355.457 1.956 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265626 902312305 /nfs/dbraw/zinc/31/23/05/902312305.db2.gz STENEOUOGCVLHY-YTQUADARSA-N 2 2 370.497 1.551 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265626 902312316 /nfs/dbraw/zinc/31/23/16/902312316.db2.gz STENEOUOGCVLHY-YTQUADARSA-N 2 2 370.497 1.551 20 30 FDEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079268409 902321179 /nfs/dbraw/zinc/32/11/79/902321179.db2.gz ZFFMINWXPGTUSJ-DLBZAZTESA-N 2 2 358.486 1.858 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)O1 ZINC000995960393 902794150 /nfs/dbraw/zinc/79/41/50/902794150.db2.gz TUBQOICZXGNNOI-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)O1 ZINC000995960393 902794163 /nfs/dbraw/zinc/79/41/63/902794163.db2.gz TUBQOICZXGNNOI-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386480 904670024 /nfs/dbraw/zinc/67/00/24/904670024.db2.gz RGQKBDJYZNWUAO-DNVCBOLYSA-N 2 2 359.474 1.005 20 30 FDEDLP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386480 904670033 /nfs/dbraw/zinc/67/00/33/904670033.db2.gz RGQKBDJYZNWUAO-DNVCBOLYSA-N 2 2 359.474 1.005 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107441052 904926178 /nfs/dbraw/zinc/92/61/78/904926178.db2.gz JEFWDWBYVYCFEA-QQTQMKHKSA-N 2 2 356.470 1.524 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107441052 904926185 /nfs/dbraw/zinc/92/61/85/904926185.db2.gz JEFWDWBYVYCFEA-QQTQMKHKSA-N 2 2 356.470 1.524 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699416 904980545 /nfs/dbraw/zinc/98/05/45/904980545.db2.gz VGZDJKBDVBAPJT-DOIPELPJSA-N 2 2 369.509 1.584 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2OC)CC[N@H+]1C ZINC001081699416 904980552 /nfs/dbraw/zinc/98/05/52/904980552.db2.gz VGZDJKBDVBAPJT-DOIPELPJSA-N 2 2 369.509 1.584 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)CC[NH+]1C ZINC001081699416 904980554 /nfs/dbraw/zinc/98/05/54/904980554.db2.gz VGZDJKBDVBAPJT-DOIPELPJSA-N 2 2 369.509 1.584 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)CC[NH+]1C ZINC001081699416 904980561 /nfs/dbraw/zinc/98/05/61/904980561.db2.gz VGZDJKBDVBAPJT-DOIPELPJSA-N 2 2 369.509 1.584 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080325018 905158126 /nfs/dbraw/zinc/15/81/26/905158126.db2.gz MYLQETORWVSHLF-NRSPTQNISA-N 2 2 369.509 1.584 20 30 FDEDLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080325018 905158131 /nfs/dbraw/zinc/15/81/31/905158131.db2.gz MYLQETORWVSHLF-NRSPTQNISA-N 2 2 369.509 1.584 20 30 FDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080325018 905158135 /nfs/dbraw/zinc/15/81/35/905158135.db2.gz MYLQETORWVSHLF-NRSPTQNISA-N 2 2 369.509 1.584 20 30 FDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080325018 905158141 /nfs/dbraw/zinc/15/81/41/905158141.db2.gz MYLQETORWVSHLF-NRSPTQNISA-N 2 2 369.509 1.584 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949502 905423093 /nfs/dbraw/zinc/42/30/93/905423093.db2.gz SAOWQWWYUDMTKO-RTBURBONSA-N 2 2 352.438 1.059 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949502 905423107 /nfs/dbraw/zinc/42/31/07/905423107.db2.gz SAOWQWWYUDMTKO-RTBURBONSA-N 2 2 352.438 1.059 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)CC1 ZINC001080992676 906962153 /nfs/dbraw/zinc/96/21/53/906962153.db2.gz UXSWIOJBKALGAS-JKIFEVAISA-N 2 2 359.474 1.221 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)CC1 ZINC001080992676 906962158 /nfs/dbraw/zinc/96/21/58/906962158.db2.gz UXSWIOJBKALGAS-JKIFEVAISA-N 2 2 359.474 1.221 20 30 FDEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077776593 907844694 /nfs/dbraw/zinc/84/46/94/907844694.db2.gz WUIBKNOWZCPIDF-HSALFYBXSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077776593 907844713 /nfs/dbraw/zinc/84/47/13/907844713.db2.gz WUIBKNOWZCPIDF-HSALFYBXSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077776593 907844714 /nfs/dbraw/zinc/84/47/14/907844714.db2.gz WUIBKNOWZCPIDF-HSALFYBXSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077776593 907844734 /nfs/dbraw/zinc/84/47/34/907844734.db2.gz WUIBKNOWZCPIDF-HSALFYBXSA-N 2 2 370.497 1.482 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001082609250 908990511 /nfs/dbraw/zinc/99/05/11/908990511.db2.gz ZLJKZSGFDZZDAK-QMTHXVAHSA-N 2 2 371.279 1.695 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001082664006 909406161 /nfs/dbraw/zinc/40/61/61/909406161.db2.gz RQBUTDPQQGBJON-KBRIMQKVSA-N 2 2 355.910 1.676 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001082664006 909406167 /nfs/dbraw/zinc/40/61/67/909406167.db2.gz RQBUTDPQQGBJON-KBRIMQKVSA-N 2 2 355.910 1.676 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082823159 910328199 /nfs/dbraw/zinc/32/81/99/910328199.db2.gz MZJHAQWXPGQDRS-RHSMWYFYSA-N 2 2 353.426 1.491 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001082884996 910665288 /nfs/dbraw/zinc/66/52/88/910665288.db2.gz XLHRKPNJDPWSMD-FZKQIMNGSA-N 2 2 367.453 1.778 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000730097435 916120376 /nfs/dbraw/zinc/12/03/76/916120376.db2.gz XNTKQWJRZMTKGJ-NRFANRHFSA-N 2 2 368.525 1.408 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000730097435 916120382 /nfs/dbraw/zinc/12/03/82/916120382.db2.gz XNTKQWJRZMTKGJ-NRFANRHFSA-N 2 2 368.525 1.408 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084833189 917554044 /nfs/dbraw/zinc/55/40/44/917554044.db2.gz SDGJDIWWPLRTOL-RHSMWYFYSA-N 2 2 355.467 1.858 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084833189 917554057 /nfs/dbraw/zinc/55/40/57/917554057.db2.gz SDGJDIWWPLRTOL-RHSMWYFYSA-N 2 2 355.467 1.858 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC)n1 ZINC001085229698 922981915 /nfs/dbraw/zinc/98/19/15/922981915.db2.gz FVRBRGTUQFAVCN-KURKYZTESA-N 2 2 371.485 1.100 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC)n1 ZINC001085229698 922981919 /nfs/dbraw/zinc/98/19/19/922981919.db2.gz FVRBRGTUQFAVCN-KURKYZTESA-N 2 2 371.485 1.100 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109719186 930237830 /nfs/dbraw/zinc/23/78/30/930237830.db2.gz XNQMFXYHUCMYNN-YRXWBPOGSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109719186 930237835 /nfs/dbraw/zinc/23/78/35/930237835.db2.gz XNQMFXYHUCMYNN-YRXWBPOGSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719186 930237843 /nfs/dbraw/zinc/23/78/43/930237843.db2.gz XNQMFXYHUCMYNN-YRXWBPOGSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719186 930237851 /nfs/dbraw/zinc/23/78/51/930237851.db2.gz XNQMFXYHUCMYNN-YRXWBPOGSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109778773 930400875 /nfs/dbraw/zinc/40/08/75/930400875.db2.gz UXESKDXAPFKYBB-NCOADZHNSA-N 2 2 373.501 1.419 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109778773 930400879 /nfs/dbraw/zinc/40/08/79/930400879.db2.gz UXESKDXAPFKYBB-NCOADZHNSA-N 2 2 373.501 1.419 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109977510 930935839 /nfs/dbraw/zinc/93/58/39/930935839.db2.gz MBRSUROKEWQTHV-AABGKKOBSA-N 2 2 373.472 1.477 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109977510 930935843 /nfs/dbraw/zinc/93/58/43/930935843.db2.gz MBRSUROKEWQTHV-AABGKKOBSA-N 2 2 373.472 1.477 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902654 938561746 /nfs/dbraw/zinc/56/17/46/938561746.db2.gz WWOQDCMRMDXKEA-SQNIBIBYSA-N 2 2 371.489 1.680 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001129918551 938567176 /nfs/dbraw/zinc/56/71/76/938567176.db2.gz DCGFOBFCEYCSHE-QGTPRVQTSA-N 2 2 369.473 1.032 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129918551 938567177 /nfs/dbraw/zinc/56/71/77/938567177.db2.gz DCGFOBFCEYCSHE-QGTPRVQTSA-N 2 2 369.473 1.032 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cn(C)cn1 ZINC001130619285 939930050 /nfs/dbraw/zinc/93/00/50/939930050.db2.gz KBISUINHBRDZBB-XYJFISCASA-N 2 2 368.485 1.339 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cncn1C ZINC001131020130 940452612 /nfs/dbraw/zinc/45/26/12/940452612.db2.gz LOVUMWHKUPUXKS-KBAYOESNSA-N 2 2 368.485 1.339 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cncn1C ZINC001131070442 940484583 /nfs/dbraw/zinc/48/45/83/940484583.db2.gz VPUXOADCJRKJDC-ZMSDIMECSA-N 2 2 366.469 1.171 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131105572 940501561 /nfs/dbraw/zinc/50/15/61/940501561.db2.gz AVLOHCVTWQHXNI-HUUCEWRRSA-N 2 2 356.474 1.581 20 30 FDEDLP C[C@H](COc1ccccc1)N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000811664499 941149356 /nfs/dbraw/zinc/14/93/56/941149356.db2.gz FKDJJTZMKWYHPL-MRXNPFEDSA-N 2 2 354.458 1.619 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093471765 958235267 /nfs/dbraw/zinc/23/52/67/958235267.db2.gz GNYDYHQZBPCOCW-YVTWGWGSSA-N 2 2 360.502 1.839 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001094132659 959857951 /nfs/dbraw/zinc/85/79/51/959857951.db2.gz PAQKTSOABDKFES-NVXWUHKLSA-N 2 2 367.453 1.739 20 30 FDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094253868 960196635 /nfs/dbraw/zinc/19/66/35/960196635.db2.gz DHKXGMXGEWMHAF-RHSMWYFYSA-N 2 2 355.417 1.778 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cc(C)no1)CC2 ZINC001094437717 960482424 /nfs/dbraw/zinc/48/24/24/960482424.db2.gz YOIJHZYTHWAFKB-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cc(C)no1)CC2 ZINC001094437717 960482431 /nfs/dbraw/zinc/48/24/31/960482431.db2.gz YOIJHZYTHWAFKB-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cc(C)no1)CC2 ZINC001094437717 960482436 /nfs/dbraw/zinc/48/24/36/960482436.db2.gz YOIJHZYTHWAFKB-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cc(C)no1)CC2 ZINC001094437717 960482447 /nfs/dbraw/zinc/48/24/47/960482447.db2.gz YOIJHZYTHWAFKB-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C[C@@H](CCCC#N)[N@H+]1CCc2[nH+]cc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001172498492 961688168 /nfs/dbraw/zinc/68/81/68/961688168.db2.gz LTYFIQBWQVZRIV-HNNXBMFYSA-N 2 2 369.473 1.487 20 30 FDEDLP C[C@@H](CCCC#N)[N@@H+]1CCc2[nH+]cc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001172498492 961688174 /nfs/dbraw/zinc/68/81/74/961688174.db2.gz LTYFIQBWQVZRIV-HNNXBMFYSA-N 2 2 369.473 1.487 20 30 FDEDLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C3)cc1C#N ZINC001095241099 962526001 /nfs/dbraw/zinc/52/60/01/962526001.db2.gz SHXQXOVPCMLCAH-YDZRNGNQSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C3)cc1C#N ZINC001095241099 962526014 /nfs/dbraw/zinc/52/60/14/962526014.db2.gz SHXQXOVPCMLCAH-YDZRNGNQSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C3)cc1C#N ZINC001095241099 962526024 /nfs/dbraw/zinc/52/60/24/962526024.db2.gz SHXQXOVPCMLCAH-YDZRNGNQSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)cc1C#N ZINC001095241099 962526039 /nfs/dbraw/zinc/52/60/39/962526039.db2.gz SHXQXOVPCMLCAH-YDZRNGNQSA-N 2 2 368.481 1.883 20 30 FDEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001183043260 962755001 /nfs/dbraw/zinc/75/50/01/962755001.db2.gz OAVCERHHVFSCAG-UHFFFAOYSA-N 2 2 370.497 1.931 20 30 FDEDLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838719 963304739 /nfs/dbraw/zinc/30/47/39/963304739.db2.gz LHNYJNMVLFCODM-GOSISDBHSA-N 2 2 364.453 1.696 20 30 FDEDLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838719 963304748 /nfs/dbraw/zinc/30/47/48/963304748.db2.gz LHNYJNMVLFCODM-GOSISDBHSA-N 2 2 364.453 1.696 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187706140 965651080 /nfs/dbraw/zinc/65/10/80/965651080.db2.gz DUWJSXTUUKLRQI-DLBZAZTESA-N 2 2 371.485 1.076 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187706140 965651091 /nfs/dbraw/zinc/65/10/91/965651091.db2.gz DUWJSXTUUKLRQI-DLBZAZTESA-N 2 2 371.485 1.076 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456893 966331178 /nfs/dbraw/zinc/33/11/78/966331178.db2.gz YHGTXKRXFFRZJA-QILLFSRXSA-N 2 2 367.453 1.171 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456893 966331189 /nfs/dbraw/zinc/33/11/89/966331189.db2.gz YHGTXKRXFFRZJA-QILLFSRXSA-N 2 2 367.453 1.171 20 30 FDEDLP C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)c1 ZINC001189054328 966721529 /nfs/dbraw/zinc/72/15/29/966721529.db2.gz CYMMOKYKGGWUFD-PKOBYXMFSA-N 2 2 368.481 1.091 20 30 FDEDLP C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)c1 ZINC001189054328 966721534 /nfs/dbraw/zinc/72/15/34/966721534.db2.gz CYMMOKYKGGWUFD-PKOBYXMFSA-N 2 2 368.481 1.091 20 30 FDEDLP C#CCC[N@@H+](CCOC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000852751524 967578000 /nfs/dbraw/zinc/57/80/00/967578000.db2.gz GSSWBQFUSVCMPS-UHFFFAOYSA-N 2 2 365.518 1.109 20 30 FDEDLP C#CCC[N@H+](CCOC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000852751524 967578002 /nfs/dbraw/zinc/57/80/02/967578002.db2.gz GSSWBQFUSVCMPS-UHFFFAOYSA-N 2 2 365.518 1.109 20 30 FDEDLP COc1cccc(OCC[NH+]2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1 ZINC000852885590 967688490 /nfs/dbraw/zinc/68/84/90/967688490.db2.gz ASQMDLJCIOJAOT-UHFFFAOYSA-N 2 2 371.481 1.221 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661235 967836734 /nfs/dbraw/zinc/83/67/34/967836734.db2.gz NWXMCIAIKJWZJE-YSTOQKLRSA-N 2 2 359.514 1.765 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661235 967836748 /nfs/dbraw/zinc/83/67/48/967836748.db2.gz NWXMCIAIKJWZJE-YSTOQKLRSA-N 2 2 359.514 1.765 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110661235 967836764 /nfs/dbraw/zinc/83/67/64/967836764.db2.gz NWXMCIAIKJWZJE-YSTOQKLRSA-N 2 2 359.514 1.765 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110661235 967836779 /nfs/dbraw/zinc/83/67/79/967836779.db2.gz NWXMCIAIKJWZJE-YSTOQKLRSA-N 2 2 359.514 1.765 20 30 FDEDLP C=C(C)C(=O)OCCNC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198030045 972708039 /nfs/dbraw/zinc/70/80/39/972708039.db2.gz GHUXEKVPYYFOBV-UHFFFAOYSA-N 2 2 361.486 1.919 20 30 FDEDLP C=C(C)C(=O)OCCNC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198030045 972708043 /nfs/dbraw/zinc/70/80/43/972708043.db2.gz GHUXEKVPYYFOBV-UHFFFAOYSA-N 2 2 361.486 1.919 20 30 FDEDLP CN(CCc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000868288790 977452213 /nfs/dbraw/zinc/45/22/13/977452213.db2.gz GCIXBKKBGRIRCU-IBGZPJMESA-N 2 2 369.513 1.911 20 30 FDEDLP CN(CCc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000868288790 977452217 /nfs/dbraw/zinc/45/22/17/977452217.db2.gz GCIXBKKBGRIRCU-IBGZPJMESA-N 2 2 369.513 1.911 20 30 FDEDLP C#CC[C@@H](CCOC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000858189882 981902612 /nfs/dbraw/zinc/90/26/12/981902612.db2.gz VCXZREONYSCZIF-INIZCTEOSA-N 2 2 350.507 1.273 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CCOc3ccccc3)CC1)C2 ZINC000884179218 982951666 /nfs/dbraw/zinc/95/16/66/982951666.db2.gz IMEKBDJPAFYHFP-WBTXTPOCSA-N 2 2 368.481 1.349 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223371 982997391 /nfs/dbraw/zinc/99/73/91/982997391.db2.gz OYKFPPJDRHILDW-WBQJQJEBSA-N 2 2 373.497 1.706 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223371 982997392 /nfs/dbraw/zinc/99/73/92/982997392.db2.gz OYKFPPJDRHILDW-WBQJQJEBSA-N 2 2 373.497 1.706 20 30 FDEDLP C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000886772093 986575824 /nfs/dbraw/zinc/57/58/24/986575824.db2.gz SCWJTUSVIURDFY-KRWDZBQOSA-N 2 2 358.486 1.522 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000297845560 989722951 /nfs/dbraw/zinc/72/29/51/989722951.db2.gz OXMQJXURIBHBIK-LJQANCHMSA-N 2 2 358.486 1.142 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000297845560 989722955 /nfs/dbraw/zinc/72/29/55/989722955.db2.gz OXMQJXURIBHBIK-LJQANCHMSA-N 2 2 358.486 1.142 20 30 FDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000297845560 989722959 /nfs/dbraw/zinc/72/29/59/989722959.db2.gz OXMQJXURIBHBIK-LJQANCHMSA-N 2 2 358.486 1.142 20 30 FDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000297845560 989722963 /nfs/dbraw/zinc/72/29/63/989722963.db2.gz OXMQJXURIBHBIK-LJQANCHMSA-N 2 2 358.486 1.142 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000876709582 992815228 /nfs/dbraw/zinc/81/52/28/992815228.db2.gz VHLQNZLYVQZDCB-IEBWSBKVSA-N 2 2 354.454 1.068 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000876736636 992853695 /nfs/dbraw/zinc/85/36/95/992853695.db2.gz MHSBWTTXNWDDTI-IBGZPJMESA-N 2 2 366.490 1.981 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000876736636 992853713 /nfs/dbraw/zinc/85/37/13/992853713.db2.gz MHSBWTTXNWDDTI-IBGZPJMESA-N 2 2 366.490 1.981 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248136 993144902 /nfs/dbraw/zinc/14/49/02/993144902.db2.gz GTFRMACHEGYUIG-DLBZAZTESA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248136 993144907 /nfs/dbraw/zinc/14/49/07/993144907.db2.gz GTFRMACHEGYUIG-DLBZAZTESA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925328866 995500552 /nfs/dbraw/zinc/50/05/52/995500552.db2.gz IRYLLYZWXITQNF-HNNXBMFYSA-N 2 2 368.909 2.000 20 30 FDEDLP C#CCC1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000887124821 996955524 /nfs/dbraw/zinc/95/55/24/996955524.db2.gz VXARIOJXZHKDHO-UHFFFAOYSA-N 2 2 371.481 1.619 20 30 FDEDLP C[NH+]1CCC(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000929363255 1001970332 /nfs/dbraw/zinc/97/03/32/1001970332.db2.gz OLYPSCKZQUOLEP-UHFFFAOYSA-N 2 2 356.470 1.313 20 30 FDEDLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000931483552 1004200123 /nfs/dbraw/zinc/20/01/23/1004200123.db2.gz HWUQHZPROJKWKN-UHFFFAOYSA-N 2 2 350.850 1.539 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001111020793 1004626300 /nfs/dbraw/zinc/62/63/00/1004626300.db2.gz JNESXAVGGFZCCG-MKXGPGLRSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001111020793 1004626305 /nfs/dbraw/zinc/62/63/05/1004626305.db2.gz JNESXAVGGFZCCG-MKXGPGLRSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111020793 1004626310 /nfs/dbraw/zinc/62/63/10/1004626310.db2.gz JNESXAVGGFZCCG-MKXGPGLRSA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111020793 1004626313 /nfs/dbraw/zinc/62/63/13/1004626313.db2.gz JNESXAVGGFZCCG-MKXGPGLRSA-N 2 2 374.529 1.393 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC000961829208 1012900764 /nfs/dbraw/zinc/90/07/64/1012900764.db2.gz BJOQEFCUWJYLMP-KLBVCGFUSA-N 2 2 361.449 1.642 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC000961829208 1012900768 /nfs/dbraw/zinc/90/07/68/1012900768.db2.gz BJOQEFCUWJYLMP-KLBVCGFUSA-N 2 2 361.449 1.642 20 30 FDEDLP C=CCN1CC[C@H]([N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000510745717 538955653 /nfs/dbraw/zinc/95/56/53/538955653.db2.gz DCOUBJJOUWXKTJ-FQEVSTJZSA-N 2 2 356.514 1.917 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000510745717 538955655 /nfs/dbraw/zinc/95/56/55/538955655.db2.gz DCOUBJJOUWXKTJ-FQEVSTJZSA-N 2 2 356.514 1.917 20 30 FDEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c(F)c1 ZINC000269439197 180302954 /nfs/dbraw/zinc/30/29/54/180302954.db2.gz SEEBMMCQGPWCSR-UHFFFAOYSA-N 2 2 354.433 1.789 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCCN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000539374715 540952930 /nfs/dbraw/zinc/95/29/30/540952930.db2.gz YXERZEOFCSJOCJ-OYRHEFFESA-N 2 2 354.498 1.929 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCCN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000539374715 540952932 /nfs/dbraw/zinc/95/29/32/540952932.db2.gz YXERZEOFCSJOCJ-OYRHEFFESA-N 2 2 354.498 1.929 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000539374715 540952936 /nfs/dbraw/zinc/95/29/36/540952936.db2.gz YXERZEOFCSJOCJ-OYRHEFFESA-N 2 2 354.498 1.929 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000539374715 540952939 /nfs/dbraw/zinc/95/29/39/540952939.db2.gz YXERZEOFCSJOCJ-OYRHEFFESA-N 2 2 354.498 1.929 20 30 FDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000549936044 542971547 /nfs/dbraw/zinc/97/15/47/542971547.db2.gz JPMBBNKLEYJQGD-DLBZAZTESA-N 2 2 359.518 1.777 20 30 FDEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000131218888 173194291 /nfs/dbraw/zinc/19/42/91/173194291.db2.gz DOCLAXMVBLIKEG-SFHVURJKSA-N 2 2 369.469 1.301 20 30 FDEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000131218888 173194293 /nfs/dbraw/zinc/19/42/93/173194293.db2.gz DOCLAXMVBLIKEG-SFHVURJKSA-N 2 2 369.469 1.301 20 30 FDEDLP N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554486721 543808702 /nfs/dbraw/zinc/80/87/02/543808702.db2.gz UEGDHABWWQEZMM-DLBZAZTESA-N 2 2 369.473 1.315 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000555024022 543903089 /nfs/dbraw/zinc/90/30/89/543903089.db2.gz PLAUESONSCJKHU-KRWDZBQOSA-N 2 2 361.490 1.250 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000555024022 543903091 /nfs/dbraw/zinc/90/30/91/543903091.db2.gz PLAUESONSCJKHU-KRWDZBQOSA-N 2 2 361.490 1.250 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332086093 259240486 /nfs/dbraw/zinc/24/04/86/259240486.db2.gz QZLSDMUSPXFONL-IRXDYDNUSA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332086093 259240487 /nfs/dbraw/zinc/24/04/87/259240487.db2.gz QZLSDMUSPXFONL-IRXDYDNUSA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374323376 261111146 /nfs/dbraw/zinc/11/11/46/261111146.db2.gz IBMPZDXQTDXOOF-PXNSSMCTSA-N 2 2 369.513 1.132 20 30 FDEDLP C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374323376 261111147 /nfs/dbraw/zinc/11/11/47/261111147.db2.gz IBMPZDXQTDXOOF-PXNSSMCTSA-N 2 2 369.513 1.132 20 30 FDEDLP Cc1cc(N2CCN(C(=O)C[NH+]3CCC(C#N)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000057874918 522176165 /nfs/dbraw/zinc/17/61/65/522176165.db2.gz AJHCTWQYDKGTRD-UHFFFAOYSA-N 2 2 370.501 1.793 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000172751292 524267245 /nfs/dbraw/zinc/26/72/45/524267245.db2.gz MWEOXRLXNMHIPF-UHFFFAOYSA-N 3 2 360.546 1.398 20 30 FDEDLP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000104173544 525397104 /nfs/dbraw/zinc/39/71/04/525397104.db2.gz QGFGEBOVXFHMPM-HNNXBMFYSA-N 3 2 365.547 1.121 20 30 FDEDLP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000104173544 525397112 /nfs/dbraw/zinc/39/71/12/525397112.db2.gz QGFGEBOVXFHMPM-HNNXBMFYSA-N 3 2 365.547 1.121 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000118835119 525555886 /nfs/dbraw/zinc/55/58/86/525555886.db2.gz CSCOUWPOJVKXMO-LPHOPBHVSA-N 2 2 355.486 1.597 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000118835119 525555896 /nfs/dbraw/zinc/55/58/96/525555896.db2.gz CSCOUWPOJVKXMO-LPHOPBHVSA-N 2 2 355.486 1.597 20 30 FDEDLP COCC[N@H+](C)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000171140551 525867208 /nfs/dbraw/zinc/86/72/08/525867208.db2.gz ONCFXMDHBVRUIY-UHFFFAOYSA-N 2 2 357.458 1.224 20 30 FDEDLP COCC[N@@H+](C)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000171140551 525867215 /nfs/dbraw/zinc/86/72/15/525867215.db2.gz ONCFXMDHBVRUIY-UHFFFAOYSA-N 2 2 357.458 1.224 20 30 FDEDLP CS(=O)(=O)CCOCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181991582 526010895 /nfs/dbraw/zinc/01/08/95/526010895.db2.gz QXVJNJKUGKZXCO-UHFFFAOYSA-N 2 2 365.499 1.173 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000171610694 526049089 /nfs/dbraw/zinc/04/90/89/526049089.db2.gz SBSNGSZHJVOFKZ-KRWDZBQOSA-N 2 2 370.497 1.954 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000182894112 535884032 /nfs/dbraw/zinc/88/40/32/535884032.db2.gz JJDYNIUBKYHMSH-LJQANCHMSA-N 2 2 355.486 1.599 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000182894112 535884036 /nfs/dbraw/zinc/88/40/36/535884036.db2.gz JJDYNIUBKYHMSH-LJQANCHMSA-N 2 2 355.486 1.599 20 30 FDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000183499701 535992375 /nfs/dbraw/zinc/99/23/75/535992375.db2.gz NMARCKZFJCJVKL-INIZCTEOSA-N 2 2 365.518 1.807 20 30 FDEDLP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccc1C#N ZINC000285592200 537734877 /nfs/dbraw/zinc/73/48/77/537734877.db2.gz UQYBPGDDFKMNCT-AYHJJNSGSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)ccc1C#N ZINC000285592200 537734879 /nfs/dbraw/zinc/73/48/79/537734879.db2.gz UQYBPGDDFKMNCT-AYHJJNSGSA-N 2 2 356.470 1.740 20 30 FDEDLP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)CC1 ZINC000441047402 538302451 /nfs/dbraw/zinc/30/24/51/538302451.db2.gz GISSYWGYOKUADL-UHFFFAOYSA-N 2 2 374.533 1.133 20 30 FDEDLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ncc1C#N ZINC000563868091 546714822 /nfs/dbraw/zinc/71/48/22/546714822.db2.gz IQGDPGSQVVPDKX-UHFFFAOYSA-N 2 2 355.486 1.942 20 30 FDEDLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000566197303 547654407 /nfs/dbraw/zinc/65/44/07/547654407.db2.gz UYDLKRNUKUYXGR-LJQANCHMSA-N 3 2 363.550 1.662 20 30 FDEDLP COC[C@@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[NH2+]1 ZINC000568490971 548558075 /nfs/dbraw/zinc/55/80/75/548558075.db2.gz PVFFEUPYRIYLPD-FQEVSTJZSA-N 2 2 371.485 1.154 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000573357601 550119608 /nfs/dbraw/zinc/11/96/08/550119608.db2.gz DSZLMRRDSRWNNT-INIZCTEOSA-N 2 2 350.488 1.437 20 30 FDEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000573357601 550119609 /nfs/dbraw/zinc/11/96/09/550119609.db2.gz DSZLMRRDSRWNNT-INIZCTEOSA-N 2 2 350.488 1.437 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(CC#N)cc3)C2)CC1 ZINC000591939940 551918710 /nfs/dbraw/zinc/91/87/10/551918710.db2.gz ZYKQMJIVIXEEPW-GOSISDBHSA-N 2 2 355.486 1.720 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(CC#N)cc3)C2)CC1 ZINC000591939940 551918711 /nfs/dbraw/zinc/91/87/11/551918711.db2.gz ZYKQMJIVIXEEPW-GOSISDBHSA-N 2 2 355.486 1.720 20 30 FDEDLP N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000592148221 551949779 /nfs/dbraw/zinc/94/97/79/551949779.db2.gz WSUAAPSLWABQKY-FQEVSTJZSA-N 2 2 356.470 1.249 20 30 FDEDLP N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000592148221 551949781 /nfs/dbraw/zinc/94/97/81/551949781.db2.gz WSUAAPSLWABQKY-FQEVSTJZSA-N 2 2 356.470 1.249 20 30 FDEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c[nH+]2)C[C@@H](C)O1 ZINC000594440942 552311220 /nfs/dbraw/zinc/31/12/20/552311220.db2.gz JPVZQXOUIUPCGG-INMHGKMJSA-N 2 2 359.474 1.723 20 30 FDEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000594513258 552327144 /nfs/dbraw/zinc/32/71/44/552327144.db2.gz LXTQPDKTAPOLQS-LJQANCHMSA-N 2 2 370.497 1.510 20 30 FDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000594714994 552361876 /nfs/dbraw/zinc/36/18/76/552361876.db2.gz WJAGDROVEOGPIL-IBGZPJMESA-N 2 2 358.486 1.910 20 30 FDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000594714994 552361879 /nfs/dbraw/zinc/36/18/79/552361879.db2.gz WJAGDROVEOGPIL-IBGZPJMESA-N 2 2 358.486 1.910 20 30 FDEDLP N#CC1(c2ccc(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)CC1 ZINC000594922691 552423981 /nfs/dbraw/zinc/42/39/81/552423981.db2.gz QBVYFZJESUTSSI-IBGZPJMESA-N 2 2 368.481 1.264 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596974579 552730302 /nfs/dbraw/zinc/73/03/02/552730302.db2.gz PYCUHNIIQFMFKD-QGZVFWFLSA-N 2 2 351.454 1.977 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596974579 552730303 /nfs/dbraw/zinc/73/03/03/552730303.db2.gz PYCUHNIIQFMFKD-QGZVFWFLSA-N 2 2 351.454 1.977 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COc3ccccc3C#N)c2)CC1 ZINC000601806794 553477642 /nfs/dbraw/zinc/47/76/42/553477642.db2.gz QIMGRYXYKRCOPW-UHFFFAOYSA-N 2 2 351.410 1.723 20 30 FDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602536588 553600734 /nfs/dbraw/zinc/60/07/34/553600734.db2.gz IDJDAVGUTKWWHC-IAGOWNOFSA-N 2 2 358.490 1.811 20 30 FDEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602536587 553600828 /nfs/dbraw/zinc/60/08/28/553600828.db2.gz IDJDAVGUTKWWHC-DLBZAZTESA-N 2 2 358.490 1.811 20 30 FDEDLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602858209 553652411 /nfs/dbraw/zinc/65/24/11/553652411.db2.gz QBBQVJFFJVYHIN-KDURUIRLSA-N 2 2 369.513 1.249 20 30 FDEDLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602858209 553652412 /nfs/dbraw/zinc/65/24/12/553652412.db2.gz QBBQVJFFJVYHIN-KDURUIRLSA-N 2 2 369.513 1.249 20 30 FDEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000610540356 554525479 /nfs/dbraw/zinc/52/54/79/554525479.db2.gz BPIYMTNNHBHWKD-UHFFFAOYSA-N 2 2 366.469 1.327 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN(CCC#N)CC1 ZINC000611175603 554612456 /nfs/dbraw/zinc/61/24/56/554612456.db2.gz JCLQJDXVJAVYLX-UYAOXDASSA-N 2 2 369.513 1.297 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN(CCC#N)CC1 ZINC000611175603 554612458 /nfs/dbraw/zinc/61/24/58/554612458.db2.gz JCLQJDXVJAVYLX-UYAOXDASSA-N 2 2 369.513 1.297 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)CC1 ZINC000615793477 555241574 /nfs/dbraw/zinc/24/15/74/555241574.db2.gz OCSQJFSCWIVYBH-KRWDZBQOSA-N 2 2 361.534 1.428 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000328971602 676614367 /nfs/dbraw/zinc/61/43/67/676614367.db2.gz BPUNYURBPNZXCW-SJORKVTESA-N 2 2 353.507 1.945 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(c3nc(C)ns3)CC2)CC1 ZINC000329841538 676660289 /nfs/dbraw/zinc/66/02/89/676660289.db2.gz WSXRLZWFHDWDMG-UHFFFAOYSA-N 2 2 366.535 1.799 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCN(c3nc(C)ns3)CC2)CC1 ZINC000329841538 676660290 /nfs/dbraw/zinc/66/02/90/676660290.db2.gz WSXRLZWFHDWDMG-UHFFFAOYSA-N 2 2 366.535 1.799 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414471 782843039 /nfs/dbraw/zinc/84/30/39/782843039.db2.gz YEULGFLTBRJMQG-IAGOWNOFSA-N 2 2 354.454 1.672 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncs2)C1 ZINC001104306071 774439456 /nfs/dbraw/zinc/43/94/56/774439456.db2.gz JFXWJTOTWCJFIB-OAGGEKHMSA-N 2 2 361.515 1.210 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncs2)C1 ZINC001104306071 774439459 /nfs/dbraw/zinc/43/94/59/774439459.db2.gz JFXWJTOTWCJFIB-OAGGEKHMSA-N 2 2 361.515 1.210 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000375900274 785260915 /nfs/dbraw/zinc/26/09/15/785260915.db2.gz GFQDYJGIPMHYRS-FXAWDEMLSA-N 2 2 369.513 1.986 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000375900274 785260921 /nfs/dbraw/zinc/26/09/21/785260921.db2.gz GFQDYJGIPMHYRS-FXAWDEMLSA-N 2 2 369.513 1.986 20 30 FDEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001105042297 795027421 /nfs/dbraw/zinc/02/74/21/795027421.db2.gz VLFRDKZNJDCJAF-ZTFGCOKTSA-N 2 2 369.937 1.924 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)CC[C@@H]1c1ccccc1 ZINC001087429846 807023121 /nfs/dbraw/zinc/02/31/21/807023121.db2.gz HDHJEDDKJBXBKE-AQNXPRMDSA-N 2 2 355.482 1.051 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)CC[C@@H]1c1ccccc1 ZINC001087429846 807023130 /nfs/dbraw/zinc/02/31/30/807023130.db2.gz HDHJEDDKJBXBKE-AQNXPRMDSA-N 2 2 355.482 1.051 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)CC[C@@H]1c1ccccc1 ZINC001087429846 807023140 /nfs/dbraw/zinc/02/31/40/807023140.db2.gz HDHJEDDKJBXBKE-AQNXPRMDSA-N 2 2 355.482 1.051 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)CC[C@@H]1c1ccccc1 ZINC001087429846 807023155 /nfs/dbraw/zinc/02/31/55/807023155.db2.gz HDHJEDDKJBXBKE-AQNXPRMDSA-N 2 2 355.482 1.051 20 30 FDEDLP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001112532355 807220108 /nfs/dbraw/zinc/22/01/08/807220108.db2.gz WSBFJLKJHGMTJB-OOSNJVJTSA-N 2 2 372.513 1.945 20 30 FDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000424142721 815317115 /nfs/dbraw/zinc/31/71/15/815317115.db2.gz DVLFSGKIYXOQDB-GOSISDBHSA-N 2 2 360.458 1.035 20 30 FDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216440 816709162 /nfs/dbraw/zinc/70/91/62/816709162.db2.gz HIFUXLLBOKEMEA-BEFAXECRSA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216440 816709166 /nfs/dbraw/zinc/70/91/66/816709166.db2.gz HIFUXLLBOKEMEA-BEFAXECRSA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216440 816709172 /nfs/dbraw/zinc/70/91/72/816709172.db2.gz HIFUXLLBOKEMEA-BEFAXECRSA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216440 816709181 /nfs/dbraw/zinc/70/91/81/816709181.db2.gz HIFUXLLBOKEMEA-BEFAXECRSA-N 2 2 356.474 1.666 20 30 FDEDLP C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330884689 819647474 /nfs/dbraw/zinc/64/74/74/819647474.db2.gz KZUJJTLPABEFTG-AWEZNQCLSA-N 2 2 362.478 1.135 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799879 820485240 /nfs/dbraw/zinc/48/52/40/820485240.db2.gz LLXCZZPZFRREHG-HRCADAONSA-N 2 2 368.319 1.770 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799879 820485245 /nfs/dbraw/zinc/48/52/45/820485245.db2.gz LLXCZZPZFRREHG-HRCADAONSA-N 2 2 368.319 1.770 20 30 FDEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC000895158466 821194590 /nfs/dbraw/zinc/19/45/90/821194590.db2.gz JRXDUBHBGMITLX-HNNXBMFYSA-N 2 2 352.866 1.562 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001112167962 822461600 /nfs/dbraw/zinc/46/16/00/822461600.db2.gz ONWMYJBJPAVCCR-AAVRWANBSA-N 2 2 354.376 1.526 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3[nH]c4ccccc4c3C#N)C2)CC1 ZINC000896325139 824300613 /nfs/dbraw/zinc/30/06/13/824300613.db2.gz NVAJOHHTVLHIBF-AWEZNQCLSA-N 2 2 351.454 1.938 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3[nH]c4ccccc4c3C#N)C2)CC1 ZINC000896325139 824300617 /nfs/dbraw/zinc/30/06/17/824300617.db2.gz NVAJOHHTVLHIBF-AWEZNQCLSA-N 2 2 351.454 1.938 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000329953297 825562041 /nfs/dbraw/zinc/56/20/41/825562041.db2.gz NTRATAUHCSEGNZ-INIZCTEOSA-N 2 2 360.458 1.715 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000329953297 825562045 /nfs/dbraw/zinc/56/20/45/825562045.db2.gz NTRATAUHCSEGNZ-INIZCTEOSA-N 2 2 360.458 1.715 20 30 FDEDLP C[C@@H]1C[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000330145111 825674691 /nfs/dbraw/zinc/67/46/91/825674691.db2.gz HENHGMGOVHNTTM-SJORKVTESA-N 2 2 373.501 1.950 20 30 FDEDLP C[C@@H]1C[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000330145111 825674698 /nfs/dbraw/zinc/67/46/98/825674698.db2.gz HENHGMGOVHNTTM-SJORKVTESA-N 2 2 373.501 1.950 20 30 FDEDLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)O1 ZINC000330267910 825782744 /nfs/dbraw/zinc/78/27/44/825782744.db2.gz IIVOXOYNFJQIPW-VQHPVUNQSA-N 2 2 361.490 1.686 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460765 837454733 /nfs/dbraw/zinc/45/47/33/837454733.db2.gz XUDSKRWMSFTKHC-MOPGFXCFSA-N 2 2 370.497 1.484 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460765 837454743 /nfs/dbraw/zinc/45/47/43/837454743.db2.gz XUDSKRWMSFTKHC-MOPGFXCFSA-N 2 2 370.497 1.484 20 30 FDEDLP C=CCOCCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000666514520 833875461 /nfs/dbraw/zinc/87/54/61/833875461.db2.gz BWISOPZEYMUFQU-UHFFFAOYSA-N 2 2 352.523 1.781 20 30 FDEDLP C=CCOCCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000666514520 833875469 /nfs/dbraw/zinc/87/54/69/833875469.db2.gz BWISOPZEYMUFQU-UHFFFAOYSA-N 2 2 352.523 1.781 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474410 843430573 /nfs/dbraw/zinc/43/05/73/843430573.db2.gz FTZUSQJNMFOTDC-AITUJVMLSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083474410 843430588 /nfs/dbraw/zinc/43/05/88/843430588.db2.gz FTZUSQJNMFOTDC-AITUJVMLSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474410 843430615 /nfs/dbraw/zinc/43/06/15/843430615.db2.gz FTZUSQJNMFOTDC-AITUJVMLSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474410 843430646 /nfs/dbraw/zinc/43/06/46/843430646.db2.gz FTZUSQJNMFOTDC-AITUJVMLSA-N 2 2 374.460 1.089 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673005 845265009 /nfs/dbraw/zinc/26/50/09/845265009.db2.gz GDIJHBIFQHXAAC-LFGUQSLTSA-N 2 2 360.502 1.815 20 30 FDEDLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001076078185 847198787 /nfs/dbraw/zinc/19/87/87/847198787.db2.gz RILPUJXVFVPIQZ-RBUKOAKNSA-N 2 2 363.465 1.957 20 30 FDEDLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001076078185 847198790 /nfs/dbraw/zinc/19/87/90/847198790.db2.gz RILPUJXVFVPIQZ-RBUKOAKNSA-N 2 2 363.465 1.957 20 30 FDEDLP N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001076632517 848616726 /nfs/dbraw/zinc/61/67/26/848616726.db2.gz DEXOYUPGTMPTIS-PKOBYXMFSA-N 2 2 365.437 1.518 20 30 FDEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001076632517 848616736 /nfs/dbraw/zinc/61/67/36/848616736.db2.gz DEXOYUPGTMPTIS-PKOBYXMFSA-N 2 2 365.437 1.518 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CCC)cc2)C[C@H]1O ZINC001077159230 849955423 /nfs/dbraw/zinc/95/54/23/849955423.db2.gz UPDWUJCNNRBZEG-QHAWAJNXSA-N 2 2 369.509 1.398 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CCC)cc2)C[C@H]1O ZINC001077159230 849955425 /nfs/dbraw/zinc/95/54/25/849955425.db2.gz UPDWUJCNNRBZEG-QHAWAJNXSA-N 2 2 369.509 1.398 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CCC)cc2)C[C@H]1O ZINC001077159230 849955434 /nfs/dbraw/zinc/95/54/34/849955434.db2.gz UPDWUJCNNRBZEG-QHAWAJNXSA-N 2 2 369.509 1.398 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CCC)cc2)C[C@H]1O ZINC001077159230 849955436 /nfs/dbraw/zinc/95/54/36/849955436.db2.gz UPDWUJCNNRBZEG-QHAWAJNXSA-N 2 2 369.509 1.398 20 30 FDEDLP C=CCN1CC[N@@H+](C)C2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)C1=O ZINC001168377602 862433384 /nfs/dbraw/zinc/43/33/84/862433384.db2.gz JUIXEAPCWPACFX-UHFFFAOYSA-N 2 2 360.546 1.655 20 30 FDEDLP C=CCN1CC[N@H+](C)C2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)C1=O ZINC001168377602 862433390 /nfs/dbraw/zinc/43/33/90/862433390.db2.gz JUIXEAPCWPACFX-UHFFFAOYSA-N 2 2 360.546 1.655 20 30 FDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991976048 866694292 /nfs/dbraw/zinc/69/42/92/866694292.db2.gz QFXHMRCDOCFHSG-RMJJICAUSA-N 2 2 363.502 1.165 20 30 FDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991976048 866694301 /nfs/dbraw/zinc/69/43/01/866694301.db2.gz QFXHMRCDOCFHSG-RMJJICAUSA-N 2 2 363.502 1.165 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696308 869341914 /nfs/dbraw/zinc/34/19/14/869341914.db2.gz UWJFGRQKMNMVPX-MSOLQXFVSA-N 2 2 356.470 1.094 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696308 869341918 /nfs/dbraw/zinc/34/19/18/869341918.db2.gz UWJFGRQKMNMVPX-MSOLQXFVSA-N 2 2 356.470 1.094 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419406 875203567 /nfs/dbraw/zinc/20/35/67/875203567.db2.gz JPPXBOGVZMSXMX-OWCLPIDISA-N 2 2 369.469 1.323 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(C4CC4)nn3)CC2)CC1 ZINC000328613250 887593275 /nfs/dbraw/zinc/59/32/75/887593275.db2.gz QEJYCEXCFRCTKQ-UHFFFAOYSA-N 2 2 358.490 2.239 20 30 FDEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000941571080 895288729 /nfs/dbraw/zinc/28/87/29/895288729.db2.gz KVKSQGFXGBUYKA-QZTJIDSGSA-N 2 2 357.502 1.318 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129312690 901276933 /nfs/dbraw/zinc/27/69/33/901276933.db2.gz LOYXDURARXAHKZ-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129312690 901276941 /nfs/dbraw/zinc/27/69/41/901276941.db2.gz LOYXDURARXAHKZ-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129312690 901276949 /nfs/dbraw/zinc/27/69/49/901276949.db2.gz LOYXDURARXAHKZ-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129312690 901276961 /nfs/dbraw/zinc/27/69/61/901276961.db2.gz LOYXDURARXAHKZ-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248010 902262607 /nfs/dbraw/zinc/26/26/07/902262607.db2.gz BYWVMFPCAWTXBM-NZSAHSFTSA-N 2 2 370.497 1.571 20 30 FDEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079262808 902304072 /nfs/dbraw/zinc/30/40/72/902304072.db2.gz BXFABQOORGXNQS-ZWKOTPCHSA-N 2 2 358.486 1.858 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079272176 902335075 /nfs/dbraw/zinc/33/50/75/902335075.db2.gz FZIRPEXZAXNHPU-RBUKOAKNSA-N 2 2 370.497 1.315 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107480989 905132925 /nfs/dbraw/zinc/13/29/25/905132925.db2.gz ADGUMZFKTIQZBE-YLJYHZDGSA-N 2 2 358.486 1.363 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107480989 905132936 /nfs/dbraw/zinc/13/29/36/905132936.db2.gz ADGUMZFKTIQZBE-YLJYHZDGSA-N 2 2 358.486 1.363 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066369 905705210 /nfs/dbraw/zinc/70/52/10/905705210.db2.gz NURJXRCDCYKLOT-XAMWDVODSA-N 2 2 370.497 1.604 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066369 905705222 /nfs/dbraw/zinc/70/52/22/905705222.db2.gz NURJXRCDCYKLOT-XAMWDVODSA-N 2 2 370.497 1.604 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066369 905705234 /nfs/dbraw/zinc/70/52/34/905705234.db2.gz NURJXRCDCYKLOT-XAMWDVODSA-N 2 2 370.497 1.604 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066369 905705246 /nfs/dbraw/zinc/70/52/46/905705246.db2.gz NURJXRCDCYKLOT-XAMWDVODSA-N 2 2 370.497 1.604 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082134935 905941744 /nfs/dbraw/zinc/94/17/44/905941744.db2.gz IYYZNOSLQTUULB-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082134935 905941745 /nfs/dbraw/zinc/94/17/45/905941745.db2.gz IYYZNOSLQTUULB-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082134935 905941748 /nfs/dbraw/zinc/94/17/48/905941748.db2.gz IYYZNOSLQTUULB-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082134935 905941755 /nfs/dbraw/zinc/94/17/55/905941755.db2.gz IYYZNOSLQTUULB-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080979081 906842918 /nfs/dbraw/zinc/84/29/18/906842918.db2.gz AVMJEINGPWMPSW-LZQZEXGQSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080979081 906842934 /nfs/dbraw/zinc/84/29/34/906842934.db2.gz AVMJEINGPWMPSW-LZQZEXGQSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080979081 906842948 /nfs/dbraw/zinc/84/29/48/906842948.db2.gz AVMJEINGPWMPSW-LZQZEXGQSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080979081 906842965 /nfs/dbraw/zinc/84/29/65/906842965.db2.gz AVMJEINGPWMPSW-LZQZEXGQSA-N 2 2 356.470 1.215 20 30 FDEDLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082673500 909514103 /nfs/dbraw/zinc/51/41/03/909514103.db2.gz SPCUZGYQXXTQCK-RDTXWAMCSA-N 2 2 355.417 1.921 20 30 FDEDLP CON=Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732559823 919795061 /nfs/dbraw/zinc/79/50/61/919795061.db2.gz RRUNNFUKTKQTGB-IBGZPJMESA-N 2 2 358.486 1.907 20 30 FDEDLP CON=Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732559823 919795074 /nfs/dbraw/zinc/79/50/74/919795074.db2.gz RRUNNFUKTKQTGB-IBGZPJMESA-N 2 2 358.486 1.907 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737468 925120997 /nfs/dbraw/zinc/12/09/97/925120997.db2.gz OHNWMLUZPHSXQB-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737468 925120999 /nfs/dbraw/zinc/12/09/99/925120999.db2.gz OHNWMLUZPHSXQB-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001112582797 931750892 /nfs/dbraw/zinc/75/08/92/931750892.db2.gz OSNYQNZJQMLXNU-ZVDOUQERSA-N 2 2 359.514 1.339 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1n1ccnn1 ZINC001129910435 938550245 /nfs/dbraw/zinc/55/02/45/938550245.db2.gz SVDXJIBZOJSKEL-SJORKVTESA-N 2 2 371.489 1.526 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130107183 938687314 /nfs/dbraw/zinc/68/73/14/938687314.db2.gz HZVPUSHMJFXJFE-XYPHTWIQSA-N 2 2 357.462 1.249 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130685359 939975310 /nfs/dbraw/zinc/97/53/10/939975310.db2.gz PVDPSOZOVGSDOU-UWWQBHOKSA-N 2 2 356.474 1.625 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117736 940504665 /nfs/dbraw/zinc/50/46/65/940504665.db2.gz PCCVJLOHNSQAGF-YXJHDRRASA-N 2 2 370.501 1.933 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001134043083 941533373 /nfs/dbraw/zinc/53/33/73/941533373.db2.gz RZQABKHZIMMMGI-HZPDHXFCSA-N 2 2 356.857 1.935 20 30 FDEDLP COC(=O)c1ccc(C(=[NH2+])Nc2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)cc1 ZINC001170989446 945041530 /nfs/dbraw/zinc/04/15/30/945041530.db2.gz WJRBRCQMYUUAIT-CQSZACIVSA-N 2 2 364.409 1.630 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985090 953001723 /nfs/dbraw/zinc/00/17/23/953001723.db2.gz TVTXGLNNKYEJHG-BPQIPLTHSA-N 2 2 368.485 1.339 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001086989734 953015736 /nfs/dbraw/zinc/01/57/36/953015736.db2.gz QYJGSOHOHRHSEH-JKSUJKDBSA-N 2 2 362.865 1.343 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cnn(C)c1 ZINC001086995905 953035431 /nfs/dbraw/zinc/03/54/31/953035431.db2.gz CINWORLHTNECLC-YQQAZPJKSA-N 2 2 354.458 1.333 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093471731 958235897 /nfs/dbraw/zinc/23/58/97/958235897.db2.gz GKKXGFADZWSWRP-LFGUQSLTSA-N 2 2 360.502 1.803 20 30 FDEDLP N#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093487546 958310839 /nfs/dbraw/zinc/31/08/39/958310839.db2.gz HMPOVXCPIIQYJQ-XMTFNYHQSA-N 2 2 368.485 1.176 20 30 FDEDLP N#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093487546 958310858 /nfs/dbraw/zinc/31/08/58/958310858.db2.gz HMPOVXCPIIQYJQ-XMTFNYHQSA-N 2 2 368.485 1.176 20 30 FDEDLP N#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093487546 958310869 /nfs/dbraw/zinc/31/08/69/958310869.db2.gz HMPOVXCPIIQYJQ-XMTFNYHQSA-N 2 2 368.485 1.176 20 30 FDEDLP N#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093487546 958310878 /nfs/dbraw/zinc/31/08/78/958310878.db2.gz HMPOVXCPIIQYJQ-XMTFNYHQSA-N 2 2 368.485 1.176 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001094132362 959856059 /nfs/dbraw/zinc/85/60/59/959856059.db2.gz DYBDSKJVJMHJCC-CZUORRHYSA-N 2 2 355.417 1.847 20 30 FDEDLP CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+](CCC[NH3+])CC2)C[C@H]1C#N ZINC001172982508 961866167 /nfs/dbraw/zinc/86/61/67/961866167.db2.gz DBIHXCWGHCMJSZ-CVEARBPZSA-N 2 2 351.495 1.244 20 30 FDEDLP CCCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000774774346 963693485 /nfs/dbraw/zinc/69/34/85/963693485.db2.gz YJJMKCMKLNEIBP-QGZVFWFLSA-N 2 2 366.550 1.748 20 30 FDEDLP CCCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000774774346 963693489 /nfs/dbraw/zinc/69/34/89/963693489.db2.gz YJJMKCMKLNEIBP-QGZVFWFLSA-N 2 2 366.550 1.748 20 30 FDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC12CCOCC2 ZINC001186505028 964533098 /nfs/dbraw/zinc/53/30/98/964533098.db2.gz OXSQXFJPGUHOLD-KZNAEPCWSA-N 2 2 370.497 1.392 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188723744 966536425 /nfs/dbraw/zinc/53/64/25/966536425.db2.gz DJJQMDSZIWFERU-ZWKOTPCHSA-N 2 2 371.485 1.007 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188723744 966536430 /nfs/dbraw/zinc/53/64/30/966536430.db2.gz DJJQMDSZIWFERU-ZWKOTPCHSA-N 2 2 371.485 1.007 20 30 FDEDLP C=CC[C@@]1(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000852872643 967679258 /nfs/dbraw/zinc/67/92/58/967679258.db2.gz JLAMVWSKCTYQIS-NRFANRHFSA-N 2 2 372.513 1.632 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2nnccc2C#N)cc1 ZINC001198017179 972643235 /nfs/dbraw/zinc/64/32/35/972643235.db2.gz GXQFLYUKBPBVQR-UHFFFAOYSA-N 2 2 352.442 1.984 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2nnccc2C#N)cc1 ZINC001198017179 972643245 /nfs/dbraw/zinc/64/32/45/972643245.db2.gz GXQFLYUKBPBVQR-UHFFFAOYSA-N 2 2 352.442 1.984 20 30 FDEDLP N#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC000865537833 974348012 /nfs/dbraw/zinc/34/80/12/974348012.db2.gz OJELRVOHCVFYGC-UHFFFAOYSA-N 2 2 352.438 1.954 20 30 FDEDLP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001200628528 974847100 /nfs/dbraw/zinc/84/71/00/974847100.db2.gz LNQVXMPWBCPJDJ-IEBWSBKVSA-N 2 2 370.497 1.384 20 30 FDEDLP C(=[NH+]NCCCn1cc[nH+]c1)c1c(N2CCOCC2)nc2ccccn12 ZINC000848419069 976725014 /nfs/dbraw/zinc/72/50/14/976725014.db2.gz XYXWSSCZSQUBKW-UHFFFAOYSA-N 2 2 353.430 1.381 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000884073737 982821746 /nfs/dbraw/zinc/82/17/46/982821746.db2.gz TUIOOXZWDYHIEM-FQEVSTJZSA-N 2 2 370.497 1.416 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000884073737 982821756 /nfs/dbraw/zinc/82/17/56/982821756.db2.gz TUIOOXZWDYHIEM-FQEVSTJZSA-N 2 2 370.497 1.416 20 30 FDEDLP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876736317 992852733 /nfs/dbraw/zinc/85/27/33/992852733.db2.gz LSAHXEWQHSLTPS-HXUWFJFHSA-N 2 2 369.513 1.135 20 30 FDEDLP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876736317 992852741 /nfs/dbraw/zinc/85/27/41/992852741.db2.gz LSAHXEWQHSLTPS-HXUWFJFHSA-N 2 2 369.513 1.135 20 30 FDEDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876889310 992950315 /nfs/dbraw/zinc/95/03/15/992950315.db2.gz JUSZTPXQAFCJHW-LJQANCHMSA-N 2 2 370.497 1.562 20 30 FDEDLP C[NH+]=C(NCC1CC[NH+](C)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000103909743 998252282 /nfs/dbraw/zinc/25/22/82/998252282.db2.gz AWUJNCAQGKARBJ-UHFFFAOYSA-N 3 2 365.566 1.528 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111012349 1004195282 /nfs/dbraw/zinc/19/52/82/1004195282.db2.gz NFOHQSPMANDODG-NCOADZHNSA-N 2 2 350.507 1.131 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111012349 1004195286 /nfs/dbraw/zinc/19/52/86/1004195286.db2.gz NFOHQSPMANDODG-NCOADZHNSA-N 2 2 350.507 1.131 20 30 FDEDLP C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000303878076 1009647225 /nfs/dbraw/zinc/64/72/25/1009647225.db2.gz IZBMCZKYKJOOMA-QGZVFWFLSA-N 2 2 360.502 1.944 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000507833448 538923320 /nfs/dbraw/zinc/92/33/20/538923320.db2.gz MFPRQLSAZQBVHC-KRWDZBQOSA-N 2 2 370.497 1.954 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000510745718 538955789 /nfs/dbraw/zinc/95/57/89/538955789.db2.gz DCOUBJJOUWXKTJ-HXUWFJFHSA-N 2 2 356.514 1.917 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000510745718 538955790 /nfs/dbraw/zinc/95/57/90/538955790.db2.gz DCOUBJJOUWXKTJ-HXUWFJFHSA-N 2 2 356.514 1.917 20 30 FDEDLP C=CCOc1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1OC ZINC000530244406 539920819 /nfs/dbraw/zinc/92/08/19/539920819.db2.gz LHTAGMYATIFKFX-UHFFFAOYSA-N 2 2 374.485 1.403 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNC(=O)c3cnccn3)CC2)cc1 ZINC000539496866 540966354 /nfs/dbraw/zinc/96/63/54/540966354.db2.gz NFMISYXSERHHJS-UHFFFAOYSA-N 2 2 364.453 1.332 20 30 FDEDLP CCS(=O)(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181590853 174235116 /nfs/dbraw/zinc/23/51/16/174235116.db2.gz SNUBNKVSWWRLNV-UHFFFAOYSA-N 2 2 350.488 1.052 20 30 FDEDLP Cc1cccc2[nH+]c(Cn3cc(C[NH+]4CCOCC4)cc(C#N)c3=O)cn21 ZINC000559630361 544748738 /nfs/dbraw/zinc/74/87/38/544748738.db2.gz MZRDBCTZHYXRNO-UHFFFAOYSA-N 2 2 363.421 1.557 20 30 FDEDLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000328815385 259060074 /nfs/dbraw/zinc/06/00/74/259060074.db2.gz CJOCVAHLTQJGTM-APWZRJJASA-N 2 2 359.470 1.483 20 30 FDEDLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000328815385 259060075 /nfs/dbraw/zinc/06/00/75/259060075.db2.gz CJOCVAHLTQJGTM-APWZRJJASA-N 2 2 359.470 1.483 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332409588 259264349 /nfs/dbraw/zinc/26/43/49/259264349.db2.gz ZQTQTZGACVIROX-UZLBHIALSA-N 2 2 370.497 1.873 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332409588 259264350 /nfs/dbraw/zinc/26/43/50/259264350.db2.gz ZQTQTZGACVIROX-UZLBHIALSA-N 2 2 370.497 1.873 20 30 FDEDLP C[N@@H+]1CCN(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000374735952 261185242 /nfs/dbraw/zinc/18/52/42/261185242.db2.gz QJUNFXUPVWXWKG-UHFFFAOYSA-N 2 2 369.469 1.125 20 30 FDEDLP C[N@H+]1CCN(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000374735952 261185244 /nfs/dbraw/zinc/18/52/44/261185244.db2.gz QJUNFXUPVWXWKG-UHFFFAOYSA-N 2 2 369.469 1.125 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000057170561 522022054 /nfs/dbraw/zinc/02/20/54/522022054.db2.gz RPKHKSDLORXBDU-UHFFFAOYSA-N 2 2 372.488 1.409 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869309 522412038 /nfs/dbraw/zinc/41/20/38/522412038.db2.gz INCBSRRBPDGNIT-WMZOPIPTSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869309 522412051 /nfs/dbraw/zinc/41/20/51/522412051.db2.gz INCBSRRBPDGNIT-WMZOPIPTSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072869309 522412059 /nfs/dbraw/zinc/41/20/59/522412059.db2.gz INCBSRRBPDGNIT-WMZOPIPTSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072869309 522412073 /nfs/dbraw/zinc/41/20/73/522412073.db2.gz INCBSRRBPDGNIT-WMZOPIPTSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156958373 524182110 /nfs/dbraw/zinc/18/21/10/524182110.db2.gz HHVFXBHUDUTVKB-SJLPKXTDSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156958373 524182117 /nfs/dbraw/zinc/18/21/17/524182117.db2.gz HHVFXBHUDUTVKB-SJLPKXTDSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156958373 524182124 /nfs/dbraw/zinc/18/21/24/524182124.db2.gz HHVFXBHUDUTVKB-SJLPKXTDSA-N 2 2 358.486 1.983 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156958373 524182131 /nfs/dbraw/zinc/18/21/31/524182131.db2.gz HHVFXBHUDUTVKB-SJLPKXTDSA-N 2 2 358.486 1.983 20 30 FDEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926375 524545357 /nfs/dbraw/zinc/54/53/57/524545357.db2.gz JIKLUFBQGYENSZ-GNZRSQJKSA-N 2 2 372.517 1.861 20 30 FDEDLP CC(C)NC(=O)CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000108351941 525957442 /nfs/dbraw/zinc/95/74/42/525957442.db2.gz QWVPTDFTZWVTOV-UHFFFAOYSA-N 2 2 361.490 1.008 20 30 FDEDLP CC(C)NC(=O)CO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000108351941 525957452 /nfs/dbraw/zinc/95/74/52/525957452.db2.gz QWVPTDFTZWVTOV-UHFFFAOYSA-N 2 2 361.490 1.008 20 30 FDEDLP CS(=O)(=O)N1CC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000187825058 536275720 /nfs/dbraw/zinc/27/57/20/536275720.db2.gz ZEFKBZFDRSHIRJ-UHFFFAOYSA-N 2 2 362.499 1.004 20 30 FDEDLP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000483216240 538688109 /nfs/dbraw/zinc/68/81/09/538688109.db2.gz KAMAUHKRUZAZFG-INIZCTEOSA-N 2 2 371.485 1.943 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000590242025 551766795 /nfs/dbraw/zinc/76/67/95/551766795.db2.gz KKRHEIXOAPYDGP-IBGZPJMESA-N 2 2 369.513 1.865 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000590242025 551766797 /nfs/dbraw/zinc/76/67/97/551766797.db2.gz KKRHEIXOAPYDGP-IBGZPJMESA-N 2 2 369.513 1.865 20 30 FDEDLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592069241 551935822 /nfs/dbraw/zinc/93/58/22/551935822.db2.gz NLOSAAQAJYYLIY-UHFFFAOYSA-N 2 2 357.502 1.869 20 30 FDEDLP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000600721037 553307203 /nfs/dbraw/zinc/30/72/03/553307203.db2.gz KCNBVBJIKDDQGT-SFHVURJKSA-N 2 2 359.470 1.542 20 30 FDEDLP Cc1cc(C#N)ccc1S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000610149782 554468537 /nfs/dbraw/zinc/46/85/37/554468537.db2.gz YIMPUUDFDUYKJS-UHFFFAOYSA-N 2 2 371.466 1.814 20 30 FDEDLP COc1ccc([C@@H](CNC(=[NH2+])N2CCSCC2)[NH+](C)C)cc1OC ZINC000303774888 676542815 /nfs/dbraw/zinc/54/28/15/676542815.db2.gz GHTSITOCMARKSS-CQSZACIVSA-N 2 2 352.504 1.670 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303783084 676542983 /nfs/dbraw/zinc/54/29/83/676542983.db2.gz NWEKLCLDWZQHAW-QGZVFWFLSA-N 3 2 351.539 1.410 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303783084 676542986 /nfs/dbraw/zinc/54/29/86/676542986.db2.gz NWEKLCLDWZQHAW-QGZVFWFLSA-N 3 2 351.539 1.410 20 30 FDEDLP CC[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000329987750 676667507 /nfs/dbraw/zinc/66/75/07/676667507.db2.gz GLRVSXBDMSJIIM-UHFFFAOYSA-N 2 2 350.467 1.026 20 30 FDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489909134 687121478 /nfs/dbraw/zinc/12/14/78/687121478.db2.gz STDNMRHAYOXHSB-IAGOWNOFSA-N 2 2 362.543 1.631 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020604036 770978305 /nfs/dbraw/zinc/97/83/05/770978305.db2.gz UDZJANXZDSBXTN-CZPYZCIJSA-N 2 2 355.467 1.894 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nonc2C)C1 ZINC001104306266 774442013 /nfs/dbraw/zinc/44/20/13/774442013.db2.gz UMULTKPTEKVMOF-KYJSFNMBSA-N 2 2 359.474 1.050 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nonc2C)C1 ZINC001104306266 774442015 /nfs/dbraw/zinc/44/20/15/774442015.db2.gz UMULTKPTEKVMOF-KYJSFNMBSA-N 2 2 359.474 1.050 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104367513 777952045 /nfs/dbraw/zinc/95/20/45/777952045.db2.gz WSUKLJHJKMYAFP-KURKYZTESA-N 2 2 358.486 1.170 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC#Cc2ccccc2)O1 ZINC001024507723 784971987 /nfs/dbraw/zinc/97/19/87/784971987.db2.gz XPBIDLRXWVNXBL-HMXCVIKNSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC#Cc2ccccc2)O1 ZINC001024507723 784971990 /nfs/dbraw/zinc/97/19/90/784971990.db2.gz XPBIDLRXWVNXBL-HMXCVIKNSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC#Cc2ccccc2)O1 ZINC001024507723 784971992 /nfs/dbraw/zinc/97/19/92/784971992.db2.gz XPBIDLRXWVNXBL-HMXCVIKNSA-N 2 2 369.509 1.728 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC#Cc2ccccc2)O1 ZINC001024507723 784971995 /nfs/dbraw/zinc/97/19/95/784971995.db2.gz XPBIDLRXWVNXBL-HMXCVIKNSA-N 2 2 369.509 1.728 20 30 FDEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211645094 788824876 /nfs/dbraw/zinc/82/48/76/788824876.db2.gz QGDXHJGPRHWOTD-VQTJNVASSA-N 2 2 366.465 1.507 20 30 FDEDLP CCC1([NH3+])CCN(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000892917808 791679125 /nfs/dbraw/zinc/67/91/25/791679125.db2.gz TVZGXZUGLWFTFO-UHFFFAOYSA-N 2 2 355.486 1.999 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)cc1 ZINC000415994177 793469830 /nfs/dbraw/zinc/46/98/30/793469830.db2.gz KURLOWFLKSIVJD-OAHLLOKOSA-N 2 2 369.391 1.665 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001087443936 809805406 /nfs/dbraw/zinc/80/54/06/809805406.db2.gz NUBWBWIQAKXMIJ-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001087443936 809805411 /nfs/dbraw/zinc/80/54/11/809805411.db2.gz NUBWBWIQAKXMIJ-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001087443936 809805417 /nfs/dbraw/zinc/80/54/17/809805417.db2.gz NUBWBWIQAKXMIJ-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001087443936 809805423 /nfs/dbraw/zinc/80/54/23/809805423.db2.gz NUBWBWIQAKXMIJ-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP N#Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C(N)=O)cc1 ZINC000513448025 811523247 /nfs/dbraw/zinc/52/32/47/811523247.db2.gz PTIHVFVEIYJSLE-PMACEKPBSA-N 2 2 364.449 1.441 20 30 FDEDLP N#Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C(N)=O)cc1 ZINC000513448025 811523255 /nfs/dbraw/zinc/52/32/55/811523255.db2.gz PTIHVFVEIYJSLE-PMACEKPBSA-N 2 2 364.449 1.441 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COc3ccccc3C#N)CC2)CC1 ZINC000515346148 816213940 /nfs/dbraw/zinc/21/39/40/816213940.db2.gz NQVATQBTKJXMOI-UHFFFAOYSA-N 2 2 370.497 1.956 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COc3ccccc3C#N)CC2)CC1 ZINC000515346148 816213944 /nfs/dbraw/zinc/21/39/44/816213944.db2.gz NQVATQBTKJXMOI-UHFFFAOYSA-N 2 2 370.497 1.956 20 30 FDEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506006482 816973977 /nfs/dbraw/zinc/97/39/77/816973977.db2.gz HGSWORPQGGAPDJ-FQEVSTJZSA-N 2 2 370.497 1.909 20 30 FDEDLP N#CCC(=O)N1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000895068084 819860929 /nfs/dbraw/zinc/86/09/29/819860929.db2.gz IHVXKHNTQSTCDD-UHFFFAOYSA-N 2 2 356.470 1.719 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1CC ZINC001087607185 821715123 /nfs/dbraw/zinc/71/51/23/821715123.db2.gz PRGKRGZOKHBEQN-ZCNNSNEGSA-N 2 2 361.530 1.870 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1CC ZINC001087607185 821715134 /nfs/dbraw/zinc/71/51/34/821715134.db2.gz PRGKRGZOKHBEQN-ZCNNSNEGSA-N 2 2 361.530 1.870 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCOCC2)[C@@H]1CC ZINC001087607185 821715142 /nfs/dbraw/zinc/71/51/42/821715142.db2.gz PRGKRGZOKHBEQN-ZCNNSNEGSA-N 2 2 361.530 1.870 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCOCC2)[C@@H]1CC ZINC001087607185 821715147 /nfs/dbraw/zinc/71/51/47/821715147.db2.gz PRGKRGZOKHBEQN-ZCNNSNEGSA-N 2 2 361.530 1.870 20 30 FDEDLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329961694 825568044 /nfs/dbraw/zinc/56/80/44/825568044.db2.gz RSXYSWBNNFXYSO-HZPDHXFCSA-N 2 2 361.490 1.545 20 30 FDEDLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329961694 825568050 /nfs/dbraw/zinc/56/80/50/825568050.db2.gz RSXYSWBNNFXYSO-HZPDHXFCSA-N 2 2 361.490 1.545 20 30 FDEDLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000330204575 825732216 /nfs/dbraw/zinc/73/22/16/825732216.db2.gz BSQZEAPYSYAEBR-UHFFFAOYSA-N 2 2 358.490 1.430 20 30 FDEDLP Cn1cc(C[N@@H+]2CCCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000330274104 825784961 /nfs/dbraw/zinc/78/49/61/825784961.db2.gz JOWXCDNUYIDXMH-MRXNPFEDSA-N 2 2 357.462 1.053 20 30 FDEDLP Cn1cc(C[N@H+]2CCCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000330274104 825784963 /nfs/dbraw/zinc/78/49/63/825784963.db2.gz JOWXCDNUYIDXMH-MRXNPFEDSA-N 2 2 357.462 1.053 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000246003847 835790895 /nfs/dbraw/zinc/79/08/95/835790895.db2.gz JNRCOJYFDHAJMI-OTWHNJEPSA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000246003847 835790909 /nfs/dbraw/zinc/79/09/09/835790909.db2.gz JNRCOJYFDHAJMI-OTWHNJEPSA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000246003847 835790921 /nfs/dbraw/zinc/79/09/21/835790921.db2.gz JNRCOJYFDHAJMI-OTWHNJEPSA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000246003847 835790936 /nfs/dbraw/zinc/79/09/36/835790936.db2.gz JNRCOJYFDHAJMI-OTWHNJEPSA-N 2 2 361.534 1.095 20 30 FDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088764337 843482436 /nfs/dbraw/zinc/48/24/36/843482436.db2.gz WLNPDSJZXIJPME-BDXSIMOUSA-N 2 2 351.491 1.021 20 30 FDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088764337 843482442 /nfs/dbraw/zinc/48/24/42/843482442.db2.gz WLNPDSJZXIJPME-BDXSIMOUSA-N 2 2 351.491 1.021 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668085 843753812 /nfs/dbraw/zinc/75/38/12/843753812.db2.gz WCTNFHPLIXRZTG-LFGUQSLTSA-N 2 2 360.502 1.505 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070607 847202337 /nfs/dbraw/zinc/20/23/37/847202337.db2.gz RKRBSZNPQJHKBE-SYGRHNPNSA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070607 847202351 /nfs/dbraw/zinc/20/23/51/847202351.db2.gz RKRBSZNPQJHKBE-SYGRHNPNSA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070607 847202354 /nfs/dbraw/zinc/20/23/54/847202354.db2.gz RKRBSZNPQJHKBE-SYGRHNPNSA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070607 847202366 /nfs/dbraw/zinc/20/23/66/847202366.db2.gz RKRBSZNPQJHKBE-SYGRHNPNSA-N 2 2 351.878 1.135 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cc1C#N ZINC001076294591 847794156 /nfs/dbraw/zinc/79/41/56/847794156.db2.gz SXLVBYLESQWAKZ-MAUKXSAKSA-N 2 2 365.437 1.565 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cc1C#N ZINC001076294591 847794162 /nfs/dbraw/zinc/79/41/62/847794162.db2.gz SXLVBYLESQWAKZ-MAUKXSAKSA-N 2 2 365.437 1.565 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4ncccn4)C[C@H]32)CC1 ZINC001076605508 848555825 /nfs/dbraw/zinc/55/58/25/848555825.db2.gz DNNQMWFFTUYHCW-NZSAHSFTSA-N 2 2 367.497 1.416 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4ncccn4)C[C@H]32)CC1 ZINC001076605508 848555834 /nfs/dbraw/zinc/55/58/34/848555834.db2.gz DNNQMWFFTUYHCW-NZSAHSFTSA-N 2 2 367.497 1.416 20 30 FDEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083593056 852221871 /nfs/dbraw/zinc/22/18/71/852221871.db2.gz CAKYHVPNDVVBRC-AABGKKOBSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083593056 852221886 /nfs/dbraw/zinc/22/18/86/852221886.db2.gz CAKYHVPNDVVBRC-AABGKKOBSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083593056 852221915 /nfs/dbraw/zinc/22/19/15/852221915.db2.gz CAKYHVPNDVVBRC-AABGKKOBSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(=O)N1CCN(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271890433 869424260 /nfs/dbraw/zinc/42/42/60/869424260.db2.gz RWXNPUWLWSZEPT-UHFFFAOYSA-N 2 2 369.513 1.276 20 30 FDEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106317841 874764543 /nfs/dbraw/zinc/76/45/43/874764543.db2.gz WLHUGOWOYARQJL-UKRRQHHQSA-N 2 2 355.442 1.163 20 30 FDEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455357 875400566 /nfs/dbraw/zinc/40/05/66/875400566.db2.gz PFQSFZXCHBKMCV-FHLIZLRMSA-N 2 2 370.497 1.442 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083144686 912267074 /nfs/dbraw/zinc/26/70/74/912267074.db2.gz UHIWWSGPIOPZIC-RBUKOAKNSA-N 2 2 365.437 1.175 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083144686 912267087 /nfs/dbraw/zinc/26/70/87/912267087.db2.gz UHIWWSGPIOPZIC-RBUKOAKNSA-N 2 2 365.437 1.175 20 30 FDEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001034697532 884816807 /nfs/dbraw/zinc/81/68/07/884816807.db2.gz OLIULGRBDHSBKB-MKXGPGLRSA-N 2 2 365.518 1.459 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248115 902263064 /nfs/dbraw/zinc/26/30/64/902263064.db2.gz ISZUFXCEHLCBRF-FGTMMUONSA-N 2 2 368.481 1.018 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1ccccc1F ZINC001079299284 902342164 /nfs/dbraw/zinc/34/21/64/902342164.db2.gz HWRASXQUGSBLDX-MOXGXCLJSA-N 2 2 366.440 1.802 20 30 FDEDLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C1CC1 ZINC001084406771 914630009 /nfs/dbraw/zinc/63/00/09/914630009.db2.gz YMTJBWBNRAZBMJ-VAMGGRTRSA-N 2 2 352.482 1.931 20 30 FDEDLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C1CC1 ZINC001084406771 914630021 /nfs/dbraw/zinc/63/00/21/914630021.db2.gz YMTJBWBNRAZBMJ-VAMGGRTRSA-N 2 2 352.482 1.931 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)C1=O ZINC001107562235 905639524 /nfs/dbraw/zinc/63/95/24/905639524.db2.gz ZZKFCWSFMNLEHW-SQGPQFPESA-N 2 2 371.485 1.100 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)C1=O ZINC001107562235 905639531 /nfs/dbraw/zinc/63/95/31/905639531.db2.gz ZZKFCWSFMNLEHW-SQGPQFPESA-N 2 2 371.485 1.100 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133821 905934047 /nfs/dbraw/zinc/93/40/47/905934047.db2.gz RFWZQRYJWIWAGF-KFKAGJAMSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133821 905934051 /nfs/dbraw/zinc/93/40/51/905934051.db2.gz RFWZQRYJWIWAGF-KFKAGJAMSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082133821 905934055 /nfs/dbraw/zinc/93/40/55/905934055.db2.gz RFWZQRYJWIWAGF-KFKAGJAMSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082133821 905934062 /nfs/dbraw/zinc/93/40/62/905934062.db2.gz RFWZQRYJWIWAGF-KFKAGJAMSA-N 2 2 356.470 1.358 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001080946564 906780196 /nfs/dbraw/zinc/78/01/96/906780196.db2.gz FRKGUTLROZKZAQ-DNVCBOLYSA-N 2 2 354.429 1.819 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001080946564 906780221 /nfs/dbraw/zinc/78/02/21/906780221.db2.gz FRKGUTLROZKZAQ-DNVCBOLYSA-N 2 2 354.429 1.819 20 30 FDEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077776176 907837039 /nfs/dbraw/zinc/83/70/39/907837039.db2.gz GKGPDPCZHJGIPL-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077776176 907837055 /nfs/dbraw/zinc/83/70/55/907837055.db2.gz GKGPDPCZHJGIPL-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077776176 907837088 /nfs/dbraw/zinc/83/70/88/907837088.db2.gz GKGPDPCZHJGIPL-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077776176 907837106 /nfs/dbraw/zinc/83/71/06/907837106.db2.gz GKGPDPCZHJGIPL-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082492354 908011378 /nfs/dbraw/zinc/01/13/78/908011378.db2.gz QRFDXVULCKEAKM-CRAIPNDOSA-N 2 2 367.453 1.881 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC001082568231 908709359 /nfs/dbraw/zinc/70/93/59/908709359.db2.gz GRFPSAAIERUMIY-MCIONIFRSA-N 2 2 366.918 1.831 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC001082568231 908709366 /nfs/dbraw/zinc/70/93/66/908709366.db2.gz GRFPSAAIERUMIY-MCIONIFRSA-N 2 2 366.918 1.831 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082604131 908923360 /nfs/dbraw/zinc/92/33/60/908923360.db2.gz DQTITZDGIBBTCD-MOXGXCLJSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082601064 908965716 /nfs/dbraw/zinc/96/57/16/908965716.db2.gz KQDUEWKVQYROAG-MOXGXCLJSA-N 2 2 363.465 1.954 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001082884722 910663770 /nfs/dbraw/zinc/66/37/70/910663770.db2.gz BXBVKTZVPPBNLB-KZULUSFZSA-N 2 2 355.417 1.908 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129476593 938432335 /nfs/dbraw/zinc/43/23/35/938432335.db2.gz KNFRADFDDGSODG-SJORKVTESA-N 2 2 357.462 1.263 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129476593 938432339 /nfs/dbraw/zinc/43/23/39/938432339.db2.gz KNFRADFDDGSODG-SJORKVTESA-N 2 2 357.462 1.263 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129952143 938575239 /nfs/dbraw/zinc/57/52/39/938575239.db2.gz JQTLMHZRRVEPKP-MSOLQXFVSA-N 2 2 371.489 1.653 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739571 940041138 /nfs/dbraw/zinc/04/11/38/940041138.db2.gz GIXJPBIBQAEITL-FUHWJXTLSA-N 2 2 354.458 1.004 20 30 FDEDLP COc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1C#N ZINC000747436051 940497849 /nfs/dbraw/zinc/49/78/49/940497849.db2.gz XBKAKCOGLFCFKJ-UHFFFAOYSA-N 2 2 373.501 1.734 20 30 FDEDLP COc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1C#N ZINC000747436051 940497850 /nfs/dbraw/zinc/49/78/50/940497850.db2.gz XBKAKCOGLFCFKJ-UHFFFAOYSA-N 2 2 373.501 1.734 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001131533795 940704561 /nfs/dbraw/zinc/70/45/61/940704561.db2.gz SZTJRQSEHOCUOQ-XLIONFOSSA-N 2 2 358.486 1.362 20 30 FDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000820809906 944203317 /nfs/dbraw/zinc/20/33/17/944203317.db2.gz KPULXPVBVGFCLQ-CQSZACIVSA-N 2 2 365.499 1.247 20 30 FDEDLP C#CC[N@H+]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC001136863345 946359316 /nfs/dbraw/zinc/35/93/16/946359316.db2.gz YLLSKNIGSUJWLG-UHFFFAOYSA-N 2 2 354.498 1.215 20 30 FDEDLP C#CC[N@@H+]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC001136863345 946359337 /nfs/dbraw/zinc/35/93/37/946359337.db2.gz YLLSKNIGSUJWLG-UHFFFAOYSA-N 2 2 354.498 1.215 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cn3)C[C@@]2(C)C1 ZINC001091748823 952795434 /nfs/dbraw/zinc/79/54/34/952795434.db2.gz WZKZRULKSRWHOW-PBEJRMEISA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@@]2(C)C1 ZINC001091748823 952795436 /nfs/dbraw/zinc/79/54/36/952795436.db2.gz WZKZRULKSRWHOW-PBEJRMEISA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccc(F)cn3)C[C@@]2(C)C1 ZINC001091748823 952795438 /nfs/dbraw/zinc/79/54/38/952795438.db2.gz WZKZRULKSRWHOW-PBEJRMEISA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccc(F)cn3)C[C@@]2(C)C1 ZINC001091748823 952795440 /nfs/dbraw/zinc/79/54/40/952795440.db2.gz WZKZRULKSRWHOW-PBEJRMEISA-N 2 2 370.472 1.599 20 30 FDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092062968 954182195 /nfs/dbraw/zinc/18/21/95/954182195.db2.gz FCMWTNKVILEVSN-QUCCMNQESA-N 2 2 361.530 1.988 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092062968 954182200 /nfs/dbraw/zinc/18/22/00/954182200.db2.gz FCMWTNKVILEVSN-QUCCMNQESA-N 2 2 361.530 1.988 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001093472032 958236823 /nfs/dbraw/zinc/23/68/23/958236823.db2.gz HYYMMRFWTFFWQQ-IZBJGVDFSA-N 2 2 360.502 1.505 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197751968 972413511 /nfs/dbraw/zinc/41/35/11/972413511.db2.gz GLJZCYMXZVWLSA-ZTFGCOKTSA-N 2 2 355.442 1.397 20 30 FDEDLP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1C#N ZINC001094074987 959703410 /nfs/dbraw/zinc/70/34/10/959703410.db2.gz RXUNOBWHHMKYBF-RHSMWYFYSA-N 2 2 367.453 1.717 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094133194 959859189 /nfs/dbraw/zinc/85/91/89/959859189.db2.gz ZVFJHILRNIMKKM-CZUORRHYSA-N 2 2 355.417 1.847 20 30 FDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094254096 960197751 /nfs/dbraw/zinc/19/77/51/960197751.db2.gz SAQBQRMMUUDSIA-RHSMWYFYSA-N 2 2 355.417 1.778 20 30 FDEDLP C[C@H](CCCC#N)[N@H+]1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001172498475 961687683 /nfs/dbraw/zinc/68/76/83/961687683.db2.gz LJOLLAXCWOOZRH-OAHLLOKOSA-N 2 2 369.473 1.487 20 30 FDEDLP C[C@H](CCCC#N)[N@@H+]1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001172498475 961687690 /nfs/dbraw/zinc/68/76/90/961687690.db2.gz LJOLLAXCWOOZRH-OAHLLOKOSA-N 2 2 369.473 1.487 20 30 FDEDLP CN(C)c1ccc([NH+]2CCC(NC(=O)C#CC3CC[NH2+]CC3)CC2)cc1 ZINC000852872401 967679115 /nfs/dbraw/zinc/67/91/15/967679115.db2.gz GBGOHAXCNHPYQT-UHFFFAOYSA-N 2 2 354.498 1.841 20 30 FDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194308723 970097115 /nfs/dbraw/zinc/09/71/15/970097115.db2.gz OEAYGOFJLDCTTD-IAGOWNOFSA-N 2 2 352.479 1.482 20 30 FDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194308723 970097126 /nfs/dbraw/zinc/09/71/26/970097126.db2.gz OEAYGOFJLDCTTD-IAGOWNOFSA-N 2 2 352.479 1.482 20 30 FDEDLP C[NH+]1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)([NH+]2CCCCC2)CC1 ZINC000884235661 983013063 /nfs/dbraw/zinc/01/30/63/983013063.db2.gz AZHKQWVKZYZLDI-FDYSRKEFSA-N 3 2 373.545 1.192 20 30 FDEDLP C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872359560 987618693 /nfs/dbraw/zinc/61/86/93/987618693.db2.gz IYLMFFBDDMEECQ-KDURUIRLSA-N 2 2 371.485 1.592 20 30 FDEDLP Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364755399 989770090 /nfs/dbraw/zinc/77/00/90/989770090.db2.gz MJAFCJAJFSLIRY-MRXNPFEDSA-N 2 2 369.469 1.090 20 30 FDEDLP Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364755399 989770097 /nfs/dbraw/zinc/77/00/97/989770097.db2.gz MJAFCJAJFSLIRY-MRXNPFEDSA-N 2 2 369.469 1.090 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000876717134 992827026 /nfs/dbraw/zinc/82/70/26/992827026.db2.gz XHYWDADYKRGNCN-MRXNPFEDSA-N 2 2 364.877 1.676 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)O1 ZINC001095610380 993777554 /nfs/dbraw/zinc/77/75/54/993777554.db2.gz MASLERNOQCXSRC-KAEUXLIGSA-N 2 2 374.510 1.560 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)O1 ZINC001095610380 993777560 /nfs/dbraw/zinc/77/75/60/993777560.db2.gz MASLERNOQCXSRC-KAEUXLIGSA-N 2 2 374.510 1.560 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)O1 ZINC001095610380 993777566 /nfs/dbraw/zinc/77/75/66/993777566.db2.gz MASLERNOQCXSRC-KAEUXLIGSA-N 2 2 374.510 1.560 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)O1 ZINC001095610380 993777572 /nfs/dbraw/zinc/77/75/72/993777572.db2.gz MASLERNOQCXSRC-KAEUXLIGSA-N 2 2 374.510 1.560 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266937995 999270459 /nfs/dbraw/zinc/27/04/59/999270459.db2.gz QLBMDTAOPGHHJU-KRWDZBQOSA-N 2 2 360.502 1.440 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000286855290 999952914 /nfs/dbraw/zinc/95/29/14/999952914.db2.gz ZCCJEMVEOBYVSB-OAHLLOKOSA-N 2 2 359.474 1.272 20 30 FDEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C#N ZINC000535014262 540439386 /nfs/dbraw/zinc/43/93/86/540439386.db2.gz VATNPYNHWVIECD-OXJNMPFZSA-N 2 2 370.497 1.803 20 30 FDEDLP COC(=O)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C#N ZINC000535014262 540439389 /nfs/dbraw/zinc/43/93/89/540439389.db2.gz VATNPYNHWVIECD-OXJNMPFZSA-N 2 2 370.497 1.803 20 30 FDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C2 ZINC000550977909 543209565 /nfs/dbraw/zinc/20/95/65/543209565.db2.gz KSODUTSBWCRJLU-UHOSZYNNSA-N 2 2 366.469 1.021 20 30 FDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C2 ZINC000550977909 543209567 /nfs/dbraw/zinc/20/95/67/543209567.db2.gz KSODUTSBWCRJLU-UHOSZYNNSA-N 2 2 366.469 1.021 20 30 FDEDLP Cc1oc(NC(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C#N)c1C ZINC000177385942 174127245 /nfs/dbraw/zinc/12/72/45/174127245.db2.gz ALUCCMUNDOTLCY-UHFFFAOYSA-N 2 2 361.490 1.664 20 30 FDEDLP Cc1oc(NC(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C#N)c1C ZINC000177385942 174127247 /nfs/dbraw/zinc/12/72/47/174127247.db2.gz ALUCCMUNDOTLCY-UHFFFAOYSA-N 2 2 361.490 1.664 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000554863642 543883293 /nfs/dbraw/zinc/88/32/93/543883293.db2.gz UXPADMRAMIJHQU-SFHVURJKSA-N 2 2 352.438 1.952 20 30 FDEDLP Cc1cc(C#N)cnc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000556358835 544135920 /nfs/dbraw/zinc/13/59/20/544135920.db2.gz BCFJECLQJLYWHK-UHFFFAOYSA-N 2 2 355.486 1.942 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000558296344 544408292 /nfs/dbraw/zinc/40/82/92/544408292.db2.gz WVWQIILIFCOOQU-MRXNPFEDSA-N 2 2 373.476 1.440 20 30 FDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000558718269 544514247 /nfs/dbraw/zinc/51/42/47/544514247.db2.gz MHCIWRWBGNQMCB-UHFFFAOYSA-N 2 2 351.472 1.034 20 30 FDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000299710407 259018555 /nfs/dbraw/zinc/01/85/55/259018555.db2.gz QGFMICMMFCKDAL-INIZCTEOSA-N 2 2 361.515 1.294 20 30 FDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000299710407 259018556 /nfs/dbraw/zinc/01/85/56/259018556.db2.gz QGFMICMMFCKDAL-INIZCTEOSA-N 2 2 361.515 1.294 20 30 FDEDLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000328815392 259059982 /nfs/dbraw/zinc/05/99/82/259059982.db2.gz CJOCVAHLTQJGTM-VQIMIIECSA-N 2 2 359.470 1.483 20 30 FDEDLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000328815392 259059983 /nfs/dbraw/zinc/05/99/83/259059983.db2.gz CJOCVAHLTQJGTM-VQIMIIECSA-N 2 2 359.470 1.483 20 30 FDEDLP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332331565 259257925 /nfs/dbraw/zinc/25/79/25/259257925.db2.gz QWDQFOKGXVDSPL-MOPGFXCFSA-N 2 2 355.486 1.868 20 30 FDEDLP C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367536006 260057794 /nfs/dbraw/zinc/05/77/94/260057794.db2.gz OKDBHBLAAAFAOM-INIZCTEOSA-N 2 2 355.486 1.868 20 30 FDEDLP C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367536006 260057795 /nfs/dbraw/zinc/05/77/95/260057795.db2.gz OKDBHBLAAAFAOM-INIZCTEOSA-N 2 2 355.486 1.868 20 30 FDEDLP C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374323378 261111044 /nfs/dbraw/zinc/11/10/44/261111044.db2.gz IBMPZDXQTDXOOF-YLJYHZDGSA-N 2 2 369.513 1.132 20 30 FDEDLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374323378 261111045 /nfs/dbraw/zinc/11/10/45/261111045.db2.gz IBMPZDXQTDXOOF-YLJYHZDGSA-N 2 2 369.513 1.132 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000073228491 522491899 /nfs/dbraw/zinc/49/18/99/522491899.db2.gz DVGYNOLXIBIBIT-UHFFFAOYSA-N 2 2 354.498 1.215 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000047675980 522584958 /nfs/dbraw/zinc/58/49/58/522584958.db2.gz JJEDJJNTLBCRQX-INIZCTEOSA-N 2 2 358.486 1.810 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000047675980 522584960 /nfs/dbraw/zinc/58/49/60/522584960.db2.gz JJEDJJNTLBCRQX-INIZCTEOSA-N 2 2 358.486 1.810 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000074130167 522687714 /nfs/dbraw/zinc/68/77/14/522687714.db2.gz OSIHMHDQKULNSN-LJQANCHMSA-N 2 2 364.534 1.923 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108673 523024818 /nfs/dbraw/zinc/02/48/18/523024818.db2.gz ROQZUXPJEUUMFQ-UHFFFAOYSA-N 2 2 359.474 1.632 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108673 523024823 /nfs/dbraw/zinc/02/48/23/523024823.db2.gz ROQZUXPJEUUMFQ-UHFFFAOYSA-N 2 2 359.474 1.632 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CC1 ZINC000068326073 523760155 /nfs/dbraw/zinc/76/01/55/523760155.db2.gz ZATCMJVEBXBBGU-UHFFFAOYSA-N 2 2 360.527 1.831 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000121304297 524213675 /nfs/dbraw/zinc/21/36/75/524213675.db2.gz MTZVSPBOHTYYAP-UHFFFAOYSA-N 2 2 370.497 1.943 20 30 FDEDLP Cn1cc[nH+]c1CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000113253450 524649454 /nfs/dbraw/zinc/64/94/54/524649454.db2.gz MIHUNQHOPCWBSG-UHFFFAOYSA-N 2 2 352.442 1.438 20 30 FDEDLP COc1ccc(CNC(=[NH2+])NCc2cccnc2-n2cc[nH+]c2)cc1OC ZINC000170912445 525766836 /nfs/dbraw/zinc/76/68/36/525766836.db2.gz FZPAXRXBXQWEAS-UHFFFAOYSA-N 2 2 366.425 1.889 20 30 FDEDLP Cc1cccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000188954521 536976659 /nfs/dbraw/zinc/97/66/59/536976659.db2.gz FXFXFGBNZMOWOF-UHFFFAOYSA-N 2 2 371.485 1.290 20 30 FDEDLP Cc1cccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000188954521 536976662 /nfs/dbraw/zinc/97/66/62/536976662.db2.gz FXFXFGBNZMOWOF-UHFFFAOYSA-N 2 2 371.485 1.290 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304776149 537599128 /nfs/dbraw/zinc/59/91/28/537599128.db2.gz CYJAUJCUWMZKQX-GOSISDBHSA-N 4 2 364.582 1.325 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304776149 537599140 /nfs/dbraw/zinc/59/91/40/537599140.db2.gz CYJAUJCUWMZKQX-GOSISDBHSA-N 4 2 364.582 1.325 20 30 FDEDLP COCCNC(=O)C1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000414195843 537770767 /nfs/dbraw/zinc/77/07/67/537770767.db2.gz ZHBXYMDSIHQZFK-UHFFFAOYSA-N 2 2 356.470 1.407 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369375059 538016803 /nfs/dbraw/zinc/01/68/03/538016803.db2.gz VMKJKUGWCALPDJ-SFHVURJKSA-N 3 2 363.550 1.495 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369375059 538016808 /nfs/dbraw/zinc/01/68/08/538016808.db2.gz VMKJKUGWCALPDJ-SFHVURJKSA-N 3 2 363.550 1.495 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000441378565 538325122 /nfs/dbraw/zinc/32/51/22/538325122.db2.gz CKWBRNFQQQELCL-UHFFFAOYSA-N 2 2 373.497 1.829 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000441378565 538325126 /nfs/dbraw/zinc/32/51/26/538325126.db2.gz CKWBRNFQQQELCL-UHFFFAOYSA-N 2 2 373.497 1.829 20 30 FDEDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567896538 548315110 /nfs/dbraw/zinc/31/51/10/548315110.db2.gz ZUROVLLOYRWRRF-SFHVURJKSA-N 2 2 353.474 1.203 20 30 FDEDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567896538 548315112 /nfs/dbraw/zinc/31/51/12/548315112.db2.gz ZUROVLLOYRWRRF-SFHVURJKSA-N 2 2 353.474 1.203 20 30 FDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568529028 548575544 /nfs/dbraw/zinc/57/55/44/548575544.db2.gz IWAXRHLAJXCGDD-HXUWFJFHSA-N 2 2 370.497 1.583 20 30 FDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568529028 548575549 /nfs/dbraw/zinc/57/55/49/548575549.db2.gz IWAXRHLAJXCGDD-HXUWFJFHSA-N 2 2 370.497 1.583 20 30 FDEDLP N#CC1(c2ccccn2)CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000573340670 550116306 /nfs/dbraw/zinc/11/63/06/550116306.db2.gz XKUYSVMGQFMLPJ-UHFFFAOYSA-N 2 2 367.497 1.682 20 30 FDEDLP COC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C#N)n1 ZINC000578668955 550789384 /nfs/dbraw/zinc/78/93/84/550789384.db2.gz VSEZZMZGKQIPBH-XYPWUTKMSA-N 2 2 369.469 1.487 20 30 FDEDLP COC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C#N)n1 ZINC000578668955 550789385 /nfs/dbraw/zinc/78/93/85/550789385.db2.gz VSEZZMZGKQIPBH-XYPWUTKMSA-N 2 2 369.469 1.487 20 30 FDEDLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@](O)(CC#N)C3)CC2)cc1 ZINC000592148217 551949537 /nfs/dbraw/zinc/94/95/37/551949537.db2.gz WPEQHHOLFUFFRZ-OAQYLSRUSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@](O)(CC#N)C3)CC2)cc1 ZINC000592148217 551949539 /nfs/dbraw/zinc/94/95/39/551949539.db2.gz WPEQHHOLFUFFRZ-OAQYLSRUSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@](O)(CC#N)C3)CC2)cc1 ZINC000592148217 551949541 /nfs/dbraw/zinc/94/95/41/551949541.db2.gz WPEQHHOLFUFFRZ-OAQYLSRUSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@](O)(CC#N)C3)CC2)cc1 ZINC000592148217 551949543 /nfs/dbraw/zinc/94/95/43/551949543.db2.gz WPEQHHOLFUFFRZ-OAQYLSRUSA-N 2 2 370.497 1.380 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000595125810 552459164 /nfs/dbraw/zinc/45/91/64/552459164.db2.gz PYPBRGMBJKPQBT-UHFFFAOYSA-N 2 2 365.865 1.150 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000595125810 552459165 /nfs/dbraw/zinc/45/91/65/552459165.db2.gz PYPBRGMBJKPQBT-UHFFFAOYSA-N 2 2 365.865 1.150 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596673225 552699664 /nfs/dbraw/zinc/69/96/64/552699664.db2.gz OKXPEPUMBHNYOU-UHFFFAOYSA-N 2 2 357.502 1.768 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596673225 552699665 /nfs/dbraw/zinc/69/96/65/552699665.db2.gz OKXPEPUMBHNYOU-UHFFFAOYSA-N 2 2 357.502 1.768 20 30 FDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598607237 552914711 /nfs/dbraw/zinc/91/47/11/552914711.db2.gz LXZYJJMIJLKXTK-JYJNAYRXSA-N 2 2 351.470 1.565 20 30 FDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598607237 552914713 /nfs/dbraw/zinc/91/47/13/552914713.db2.gz LXZYJJMIJLKXTK-JYJNAYRXSA-N 2 2 351.470 1.565 20 30 FDEDLP N#CCc1cccc2c1CC[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000599679898 553120039 /nfs/dbraw/zinc/12/00/39/553120039.db2.gz ZQSJMDZMYNNOJT-UHFFFAOYSA-N 2 2 352.482 1.854 20 30 FDEDLP N#CCc1cccc2c1CC[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000599679898 553120043 /nfs/dbraw/zinc/12/00/43/553120043.db2.gz ZQSJMDZMYNNOJT-UHFFFAOYSA-N 2 2 352.482 1.854 20 30 FDEDLP C=C(Br)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000171198858 672052118 /nfs/dbraw/zinc/05/21/18/672052118.db2.gz ZSRAISFMNUKCBN-UHFFFAOYSA-N 2 2 359.312 1.753 20 30 FDEDLP CC(=O)N1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329089904 676619354 /nfs/dbraw/zinc/61/93/54/676619354.db2.gz WIDTURZFTUXONC-GOSISDBHSA-N 2 2 350.507 1.903 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)CC2)CC1 ZINC000329553955 676643782 /nfs/dbraw/zinc/64/37/82/676643782.db2.gz KGKYMHACUCMZCX-QGTPRVQTSA-N 2 2 350.507 1.162 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000970013508 771200642 /nfs/dbraw/zinc/20/06/42/771200642.db2.gz VXRPUTNPPXAAGF-BRWVUGGUSA-N 2 2 367.428 1.925 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnsn2)C1 ZINC001104306036 774438464 /nfs/dbraw/zinc/43/84/64/774438464.db2.gz HHLDHAGAOJQDRN-INMHGKMJSA-N 2 2 361.515 1.210 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnsn2)C1 ZINC001104306036 774438466 /nfs/dbraw/zinc/43/84/66/774438466.db2.gz HHLDHAGAOJQDRN-INMHGKMJSA-N 2 2 361.515 1.210 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccc(C)n2)C1 ZINC001104306090 774439557 /nfs/dbraw/zinc/43/95/57/774439557.db2.gz KBVCBNOHLZDFPI-QRQLOZEOSA-N 2 2 369.513 1.457 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccc(C)n2)C1 ZINC001104306090 774439559 /nfs/dbraw/zinc/43/95/59/774439559.db2.gz KBVCBNOHLZDFPI-QRQLOZEOSA-N 2 2 369.513 1.457 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(C#N)cc2)O1 ZINC001024505735 784963765 /nfs/dbraw/zinc/96/37/65/784963765.db2.gz HKXVRSROVAFMIY-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(C#N)cc2)O1 ZINC001024505735 784963766 /nfs/dbraw/zinc/96/37/66/784963766.db2.gz HKXVRSROVAFMIY-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)O1 ZINC001024505735 784963769 /nfs/dbraw/zinc/96/37/69/784963769.db2.gz HKXVRSROVAFMIY-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)O1 ZINC001024505735 784963771 /nfs/dbraw/zinc/96/37/71/784963771.db2.gz HKXVRSROVAFMIY-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3cnn(C(C)C)c3)CC2)CC1 ZINC000377603149 792315219 /nfs/dbraw/zinc/31/52/19/792315219.db2.gz VBTNWZCXKNABHF-UHFFFAOYSA-N 2 2 371.529 1.844 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3cnn(C(C)C)c3)CC2)CC1 ZINC000377603149 792315237 /nfs/dbraw/zinc/31/52/37/792315237.db2.gz VBTNWZCXKNABHF-UHFFFAOYSA-N 2 2 371.529 1.844 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638695 792389539 /nfs/dbraw/zinc/38/95/39/792389539.db2.gz DQHPZEDEJXJCPQ-VQIMIIECSA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638695 792389548 /nfs/dbraw/zinc/38/95/48/792389548.db2.gz DQHPZEDEJXJCPQ-VQIMIIECSA-N 2 2 370.497 1.952 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378298438 793911834 /nfs/dbraw/zinc/91/18/34/793911834.db2.gz ZPTQXJCJGDTUKY-WOJBJXKFSA-N 2 2 370.497 1.873 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378298438 793911839 /nfs/dbraw/zinc/91/18/39/793911839.db2.gz ZPTQXJCJGDTUKY-WOJBJXKFSA-N 2 2 370.497 1.873 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC2(C)C)O1 ZINC000974722048 800188101 /nfs/dbraw/zinc/18/81/01/800188101.db2.gz CKOXPVTXXAQZAG-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC2(C)C)O1 ZINC000974722048 800188105 /nfs/dbraw/zinc/18/81/05/800188105.db2.gz CKOXPVTXXAQZAG-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC2(C)C)O1 ZINC000974722048 800188109 /nfs/dbraw/zinc/18/81/09/800188109.db2.gz CKOXPVTXXAQZAG-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC2(C)C)O1 ZINC000974722048 800188111 /nfs/dbraw/zinc/18/81/11/800188111.db2.gz CKOXPVTXXAQZAG-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027502590 804710472 /nfs/dbraw/zinc/71/04/72/804710472.db2.gz XPVQDONNHXCSNW-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027502590 804710475 /nfs/dbraw/zinc/71/04/75/804710475.db2.gz XPVQDONNHXCSNW-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261931063 811346611 /nfs/dbraw/zinc/34/66/11/811346611.db2.gz BJIIUCFFADJUOR-QAPCUYQASA-N 3 2 369.517 1.969 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261931063 811346622 /nfs/dbraw/zinc/34/66/22/811346622.db2.gz BJIIUCFFADJUOR-QAPCUYQASA-N 3 2 369.517 1.969 20 30 FDEDLP N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000421326342 814093071 /nfs/dbraw/zinc/09/30/71/814093071.db2.gz NOJPDZMKIUHMJX-UHFFFAOYSA-N 2 2 367.428 1.921 20 30 FDEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216442 816709236 /nfs/dbraw/zinc/70/92/36/816709236.db2.gz HIFUXLLBOKEMEA-HNAYVOBHSA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216442 816709244 /nfs/dbraw/zinc/70/92/44/816709244.db2.gz HIFUXLLBOKEMEA-HNAYVOBHSA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216442 816709250 /nfs/dbraw/zinc/70/92/50/816709250.db2.gz HIFUXLLBOKEMEA-HNAYVOBHSA-N 2 2 356.474 1.666 20 30 FDEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000516216442 816709258 /nfs/dbraw/zinc/70/92/58/816709258.db2.gz HIFUXLLBOKEMEA-HNAYVOBHSA-N 2 2 356.474 1.666 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CC[C@@]2(CCOC2)C1 ZINC000261973053 817878609 /nfs/dbraw/zinc/87/86/09/817878609.db2.gz NFFUWALYJJASJO-LJQANCHMSA-N 2 2 354.458 1.764 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@@H]2CC)CC1 ZINC001087840475 822559670 /nfs/dbraw/zinc/55/96/70/822559670.db2.gz ZEJKHDOWSDOIJB-DLBZAZTESA-N 2 2 360.527 1.957 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@@H]2CC)CC1 ZINC001087840475 822559673 /nfs/dbraw/zinc/55/96/73/822559673.db2.gz ZEJKHDOWSDOIJB-DLBZAZTESA-N 2 2 360.527 1.957 20 30 FDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262487687 827425614 /nfs/dbraw/zinc/42/56/14/827425614.db2.gz TWHVIKCRZPEBRW-GOSISDBHSA-N 3 2 358.534 1.898 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088201836 827450628 /nfs/dbraw/zinc/45/06/28/827450628.db2.gz WTFWQSIHXBVYHE-CABCVRRESA-N 2 2 367.291 1.880 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088201836 827450629 /nfs/dbraw/zinc/45/06/29/827450629.db2.gz WTFWQSIHXBVYHE-CABCVRRESA-N 2 2 367.291 1.880 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nc(C#N)cs1 ZINC000897296407 827763265 /nfs/dbraw/zinc/76/32/65/827763265.db2.gz KOTKWZUQYNRODF-UHFFFAOYSA-N 2 2 350.492 1.182 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nc(C#N)cs1 ZINC000897296407 827763267 /nfs/dbraw/zinc/76/32/67/827763267.db2.gz KOTKWZUQYNRODF-UHFFFAOYSA-N 2 2 350.492 1.182 20 30 FDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001088351835 828981957 /nfs/dbraw/zinc/98/19/57/828981957.db2.gz MVBZGXWZYMXLFE-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP C[NH+]1CCC(CNC(=O)Cc2ccc(C#N)nc2)([NH+]2CCCCC2)CC1 ZINC000528675005 829506477 /nfs/dbraw/zinc/50/64/77/829506477.db2.gz AFOZKIZRNUNNGP-UHFFFAOYSA-N 2 2 355.486 1.562 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105657376 842494080 /nfs/dbraw/zinc/49/40/80/842494080.db2.gz YNPMQTNDMUMVRI-LFGUQSLTSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260526 842849446 /nfs/dbraw/zinc/84/94/46/842849446.db2.gz GCNXSOWPWXDZOZ-JFIYKMOQSA-N 2 2 355.910 1.773 20 30 FDEDLP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260526 842849461 /nfs/dbraw/zinc/84/94/61/842849461.db2.gz GCNXSOWPWXDZOZ-JFIYKMOQSA-N 2 2 355.910 1.773 20 30 FDEDLP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260526 842849473 /nfs/dbraw/zinc/84/94/73/842849473.db2.gz GCNXSOWPWXDZOZ-JFIYKMOQSA-N 2 2 355.910 1.773 20 30 FDEDLP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260526 842849481 /nfs/dbraw/zinc/84/94/81/842849481.db2.gz GCNXSOWPWXDZOZ-JFIYKMOQSA-N 2 2 355.910 1.773 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673558 845402457 /nfs/dbraw/zinc/40/24/57/845402457.db2.gz MYHJCBIHACEGFX-JYBIWHBTSA-N 2 2 358.486 1.263 20 30 FDEDLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001076568881 848462317 /nfs/dbraw/zinc/46/23/17/848462317.db2.gz BCYFMFGJVBKONO-FRQCXROJSA-N 2 2 356.445 1.682 20 30 FDEDLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001076568881 848462327 /nfs/dbraw/zinc/46/23/27/848462327.db2.gz BCYFMFGJVBKONO-FRQCXROJSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001076568881 848462335 /nfs/dbraw/zinc/46/23/35/848462335.db2.gz BCYFMFGJVBKONO-FRQCXROJSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001076568881 848462342 /nfs/dbraw/zinc/46/23/42/848462342.db2.gz BCYFMFGJVBKONO-FRQCXROJSA-N 2 2 356.445 1.682 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@H]1O ZINC001077159103 849955098 /nfs/dbraw/zinc/95/50/98/849955098.db2.gz OMXAOCXTWJIYCS-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1O ZINC001077159103 849955101 /nfs/dbraw/zinc/95/51/01/849955101.db2.gz OMXAOCXTWJIYCS-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccccc2C)C[C@H]1O ZINC001077159103 849955106 /nfs/dbraw/zinc/95/51/06/849955106.db2.gz OMXAOCXTWJIYCS-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccccc2C)C[C@H]1O ZINC001077159103 849955112 /nfs/dbraw/zinc/95/51/12/849955112.db2.gz OMXAOCXTWJIYCS-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001003357409 873195788 /nfs/dbraw/zinc/19/57/88/873195788.db2.gz ZCZJCRLIDVJRCK-MSOLQXFVSA-N 2 2 351.491 1.023 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342879 874850083 /nfs/dbraw/zinc/85/00/83/874850083.db2.gz HKSJLNSQVHDCFL-HYVNUMGLSA-N 2 2 360.502 1.710 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342879 874850090 /nfs/dbraw/zinc/85/00/90/874850090.db2.gz HKSJLNSQVHDCFL-HYVNUMGLSA-N 2 2 360.502 1.710 20 30 FDEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000923369179 889024798 /nfs/dbraw/zinc/02/47/98/889024798.db2.gz XMEGDBAHWDLNGQ-KRWDZBQOSA-N 2 2 352.442 1.166 20 30 FDEDLP C=CCCCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638362 894352258 /nfs/dbraw/zinc/35/22/58/894352258.db2.gz PDJVSYBZHZEXHV-KRWDZBQOSA-N 2 2 364.534 1.476 20 30 FDEDLP C=CCCCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638362 894352279 /nfs/dbraw/zinc/35/22/79/894352279.db2.gz PDJVSYBZHZEXHV-KRWDZBQOSA-N 2 2 364.534 1.476 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129800 901936241 /nfs/dbraw/zinc/93/62/41/901936241.db2.gz HVRIYPWAQPCXPV-VAMGGRTRSA-N 2 2 355.482 1.178 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129800 901936249 /nfs/dbraw/zinc/93/62/49/901936249.db2.gz HVRIYPWAQPCXPV-VAMGGRTRSA-N 2 2 355.482 1.178 20 30 FDEDLP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079129800 901936253 /nfs/dbraw/zinc/93/62/53/901936253.db2.gz HVRIYPWAQPCXPV-VAMGGRTRSA-N 2 2 355.482 1.178 20 30 FDEDLP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079129800 901936255 /nfs/dbraw/zinc/93/62/55/901936255.db2.gz HVRIYPWAQPCXPV-VAMGGRTRSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]3COC[C@@H]32)CC1 ZINC001079260935 902299964 /nfs/dbraw/zinc/29/99/64/902299964.db2.gz XDEWTIYRSHCLRE-XYJFISCASA-N 2 2 368.481 1.402 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001079720038 903134390 /nfs/dbraw/zinc/13/43/90/903134390.db2.gz QXLAOJOAJSAUFU-PILAGYSTSA-N 2 2 369.937 1.922 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001079720038 903134396 /nfs/dbraw/zinc/13/43/96/903134396.db2.gz QXLAOJOAJSAUFU-PILAGYSTSA-N 2 2 369.937 1.922 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000764094036 903507385 /nfs/dbraw/zinc/50/73/85/903507385.db2.gz NHPNQGSFCGLYKB-UZLBHIALSA-N 2 2 372.488 1.852 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000764094036 903507403 /nfs/dbraw/zinc/50/74/03/903507403.db2.gz NHPNQGSFCGLYKB-UZLBHIALSA-N 2 2 372.488 1.852 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001107457394 905023414 /nfs/dbraw/zinc/02/34/14/905023414.db2.gz RTDZJRZCQYNKPE-WAOWUJCRSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001107457394 905023430 /nfs/dbraw/zinc/02/34/30/905023430.db2.gz RTDZJRZCQYNKPE-WAOWUJCRSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573812 905720230 /nfs/dbraw/zinc/72/02/30/905720230.db2.gz KJMOOYABTSLNLO-YVWKXTFCSA-N 2 2 358.486 1.599 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573812 905720237 /nfs/dbraw/zinc/72/02/37/905720237.db2.gz KJMOOYABTSLNLO-YVWKXTFCSA-N 2 2 358.486 1.599 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573812 905720243 /nfs/dbraw/zinc/72/02/43/905720243.db2.gz KJMOOYABTSLNLO-YVWKXTFCSA-N 2 2 358.486 1.599 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573812 905720249 /nfs/dbraw/zinc/72/02/49/905720249.db2.gz KJMOOYABTSLNLO-YVWKXTFCSA-N 2 2 358.486 1.599 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082134936 905941365 /nfs/dbraw/zinc/94/13/65/905941365.db2.gz IYYZNOSLQTUULB-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082134936 905941369 /nfs/dbraw/zinc/94/13/69/905941369.db2.gz IYYZNOSLQTUULB-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082134936 905941375 /nfs/dbraw/zinc/94/13/75/905941375.db2.gz IYYZNOSLQTUULB-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082134936 905941383 /nfs/dbraw/zinc/94/13/83/905941383.db2.gz IYYZNOSLQTUULB-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@H]2C1 ZINC001083084542 911954941 /nfs/dbraw/zinc/95/49/41/911954941.db2.gz UNIIESYHTBOVNE-AKHDSKFASA-N 2 2 370.497 1.642 20 30 FDEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@H]2C1 ZINC001083084542 911954945 /nfs/dbraw/zinc/95/49/45/911954945.db2.gz UNIIESYHTBOVNE-AKHDSKFASA-N 2 2 370.497 1.642 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084523809 915176930 /nfs/dbraw/zinc/17/69/30/915176930.db2.gz ZBNCERNNERKXBM-IEBWSBKVSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084523809 915176936 /nfs/dbraw/zinc/17/69/36/915176936.db2.gz ZBNCERNNERKXBM-IEBWSBKVSA-N 2 2 367.428 1.935 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000730106320 916094608 /nfs/dbraw/zinc/09/46/08/916094608.db2.gz XSNHMBNANCQPQW-XLIONFOSSA-N 2 2 355.482 1.621 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000730106320 916094629 /nfs/dbraw/zinc/09/46/29/916094629.db2.gz XSNHMBNANCQPQW-XLIONFOSSA-N 2 2 355.482 1.621 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000730106320 916094648 /nfs/dbraw/zinc/09/46/48/916094648.db2.gz XSNHMBNANCQPQW-XLIONFOSSA-N 2 2 355.482 1.621 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000730106320 916094667 /nfs/dbraw/zinc/09/46/67/916094667.db2.gz XSNHMBNANCQPQW-XLIONFOSSA-N 2 2 355.482 1.621 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000730282488 916462833 /nfs/dbraw/zinc/46/28/33/916462833.db2.gz MPCVEZZUMBPDMB-MJGOQNOKSA-N 2 2 368.481 1.420 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000730282488 916462837 /nfs/dbraw/zinc/46/28/37/916462837.db2.gz MPCVEZZUMBPDMB-MJGOQNOKSA-N 2 2 368.481 1.420 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000730282488 916462843 /nfs/dbraw/zinc/46/28/43/916462843.db2.gz MPCVEZZUMBPDMB-MJGOQNOKSA-N 2 2 368.481 1.420 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000730282488 916462846 /nfs/dbraw/zinc/46/28/46/916462846.db2.gz MPCVEZZUMBPDMB-MJGOQNOKSA-N 2 2 368.481 1.420 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730286087 916474738 /nfs/dbraw/zinc/47/47/38/916474738.db2.gz DCSCGIUULIEVAX-FQEVSTJZSA-N 2 2 372.488 1.681 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730286087 916474741 /nfs/dbraw/zinc/47/47/41/916474741.db2.gz DCSCGIUULIEVAX-FQEVSTJZSA-N 2 2 372.488 1.681 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084832773 917533253 /nfs/dbraw/zinc/53/32/53/917533253.db2.gz WOUOHGZKBLLLNU-IEBWSBKVSA-N 2 2 368.481 1.695 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084832773 917533260 /nfs/dbraw/zinc/53/32/60/917533260.db2.gz WOUOHGZKBLLLNU-IEBWSBKVSA-N 2 2 368.481 1.695 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001084911020 918247034 /nfs/dbraw/zinc/24/70/34/918247034.db2.gz LGTWZKIWDHKUGR-HKBOAZHASA-N 2 2 367.493 1.292 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001084911020 918247047 /nfs/dbraw/zinc/24/70/47/918247047.db2.gz LGTWZKIWDHKUGR-HKBOAZHASA-N 2 2 367.493 1.292 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001084911020 918247061 /nfs/dbraw/zinc/24/70/61/918247061.db2.gz LGTWZKIWDHKUGR-HKBOAZHASA-N 2 2 367.493 1.292 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001084911020 918247067 /nfs/dbraw/zinc/24/70/67/918247067.db2.gz LGTWZKIWDHKUGR-HKBOAZHASA-N 2 2 367.493 1.292 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085159351 921880715 /nfs/dbraw/zinc/88/07/15/921880715.db2.gz QKZKYPGGNZHZHW-MCIONIFRSA-N 2 2 360.296 1.243 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085159351 921880728 /nfs/dbraw/zinc/88/07/28/921880728.db2.gz QKZKYPGGNZHZHW-MCIONIFRSA-N 2 2 360.296 1.243 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC001085229905 922983248 /nfs/dbraw/zinc/98/32/48/922983248.db2.gz PSWFKDZXWQQBFR-KURKYZTESA-N 2 2 358.486 1.906 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC001085229905 922983255 /nfs/dbraw/zinc/98/32/55/922983255.db2.gz PSWFKDZXWQQBFR-KURKYZTESA-N 2 2 358.486 1.906 20 30 FDEDLP C=CCc1ccc(NC(=O)C(C)(C)C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169070754 928260242 /nfs/dbraw/zinc/26/02/42/928260242.db2.gz ACEPKJFRMMSNMD-CYBMUJFWSA-N 2 2 357.458 1.843 20 30 FDEDLP N#CCOc1ccc(Br)cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073482 928262598 /nfs/dbraw/zinc/26/25/98/928262598.db2.gz IYWMURDTJSUAGK-LLVKDONJSA-N 2 2 351.204 1.399 20 30 FDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109732894 930270467 /nfs/dbraw/zinc/27/04/67/930270467.db2.gz ARKMYTGTSBSPDD-NCOADZHNSA-N 2 2 355.910 1.961 20 30 FDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109732894 930270476 /nfs/dbraw/zinc/27/04/76/930270476.db2.gz ARKMYTGTSBSPDD-NCOADZHNSA-N 2 2 355.910 1.961 20 30 FDEDLP COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000746730778 932585703 /nfs/dbraw/zinc/58/57/03/932585703.db2.gz MOSFRRQJUHKRDI-QGZVFWFLSA-N 2 2 371.485 1.535 20 30 FDEDLP COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000746730778 932585710 /nfs/dbraw/zinc/58/57/10/932585710.db2.gz MOSFRRQJUHKRDI-QGZVFWFLSA-N 2 2 371.485 1.535 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000789357799 932988671 /nfs/dbraw/zinc/98/86/71/932988671.db2.gz OTOUMKUABVJGEY-UHFFFAOYSA-N 2 2 369.513 1.176 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129403516 938416615 /nfs/dbraw/zinc/41/66/15/938416615.db2.gz ALWVBIKPMIJCTD-MSOLQXFVSA-N 2 2 371.489 1.640 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129403516 938416616 /nfs/dbraw/zinc/41/66/16/938416616.db2.gz ALWVBIKPMIJCTD-MSOLQXFVSA-N 2 2 371.489 1.640 20 30 FDEDLP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086624912 938515612 /nfs/dbraw/zinc/51/56/12/938515612.db2.gz AQANKEQJCUZRSO-XUVXKRRUSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086624912 938515614 /nfs/dbraw/zinc/51/56/14/938515614.db2.gz AQANKEQJCUZRSO-XUVXKRRUSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001086624912 938515615 /nfs/dbraw/zinc/51/56/15/938515615.db2.gz AQANKEQJCUZRSO-XUVXKRRUSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001086624912 938515616 /nfs/dbraw/zinc/51/56/16/938515616.db2.gz AQANKEQJCUZRSO-XUVXKRRUSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902568 938561719 /nfs/dbraw/zinc/56/17/19/938561719.db2.gz SNFMETSYBPDSSU-KURKYZTESA-N 2 2 369.473 1.127 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719194 940021862 /nfs/dbraw/zinc/02/18/62/940021862.db2.gz CCCBRVPTHCSMRR-MAUKXSAKSA-N 2 2 356.474 1.545 20 30 FDEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130809081 940185259 /nfs/dbraw/zinc/18/52/59/940185259.db2.gz GJEWFXFTMNSITO-SOUVJXGZSA-N 2 2 364.494 1.147 20 30 FDEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[NH+](CC)CC)n[nH]2)O1 ZINC001130811701 940204624 /nfs/dbraw/zinc/20/46/24/940204624.db2.gz FOVVGUPUECRLGG-LSDHHAIUSA-N 2 2 364.494 1.149 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cncn1C ZINC001131018035 940439180 /nfs/dbraw/zinc/43/91/80/940439180.db2.gz YODHSXRFVISQIC-CGTJXYLNSA-N 2 2 368.485 1.339 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001131519558 940688789 /nfs/dbraw/zinc/68/87/89/940688789.db2.gz RIBPHOIGBLKBFC-NQIIRXRSSA-N 2 2 371.481 1.642 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)c(C)o2)C1 ZINC001086720805 941620150 /nfs/dbraw/zinc/62/01/50/941620150.db2.gz PJHPJASVGPPUFG-KSZLIROESA-N 2 2 358.486 1.764 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)c(C)o2)C1 ZINC001086720805 941620152 /nfs/dbraw/zinc/62/01/52/941620152.db2.gz PJHPJASVGPPUFG-KSZLIROESA-N 2 2 358.486 1.764 20 30 FDEDLP C#CCSCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817778667 942944869 /nfs/dbraw/zinc/94/48/69/942944869.db2.gz TWOPMFCMXMLIMW-UHFFFAOYSA-N 2 2 352.548 1.554 20 30 FDEDLP C#CCSCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817778667 942944872 /nfs/dbraw/zinc/94/48/72/942944872.db2.gz TWOPMFCMXMLIMW-UHFFFAOYSA-N 2 2 352.548 1.554 20 30 FDEDLP C#C[C@@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1 ZINC000817779572 942946328 /nfs/dbraw/zinc/94/63/28/942946328.db2.gz CCSVEFNYALCKEQ-MOPGFXCFSA-N 2 2 362.518 1.369 20 30 FDEDLP C#C[C@@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1 ZINC000817779572 942946334 /nfs/dbraw/zinc/94/63/34/942946334.db2.gz CCSVEFNYALCKEQ-MOPGFXCFSA-N 2 2 362.518 1.369 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cnc2[nH]cc([S@](C)=O)c21 ZINC001171068537 946774909 /nfs/dbraw/zinc/77/49/09/946774909.db2.gz NSIZCCXZLCYOJP-FTJNGKRUSA-N 2 2 365.459 1.286 20 30 FDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001091159091 949842189 /nfs/dbraw/zinc/84/21/89/949842189.db2.gz WIDWHIREPYAOQG-BACDZXNISA-N 2 2 371.909 1.103 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001092318829 954827337 /nfs/dbraw/zinc/82/73/37/954827337.db2.gz JAUAXUUNEYHJHI-XLIONFOSSA-N 2 2 367.428 1.874 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001092318829 954827351 /nfs/dbraw/zinc/82/73/51/954827351.db2.gz JAUAXUUNEYHJHI-XLIONFOSSA-N 2 2 367.428 1.874 20 30 FDEDLP C#C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCCO1 ZINC000775793539 972513807 /nfs/dbraw/zinc/51/38/07/972513807.db2.gz MCBKIJGRDYBTDD-OALUTQOASA-N 2 2 373.522 1.944 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001095240771 962522699 /nfs/dbraw/zinc/52/26/99/962522699.db2.gz CQPOYCDUMRBHNC-FUMNGEBKSA-N 2 2 355.457 1.993 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001095240771 962522703 /nfs/dbraw/zinc/52/27/03/962522703.db2.gz CQPOYCDUMRBHNC-FUMNGEBKSA-N 2 2 355.457 1.993 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001095240771 962522706 /nfs/dbraw/zinc/52/27/06/962522706.db2.gz CQPOYCDUMRBHNC-FUMNGEBKSA-N 2 2 355.457 1.993 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001095240771 962522712 /nfs/dbraw/zinc/52/27/12/962522712.db2.gz CQPOYCDUMRBHNC-FUMNGEBKSA-N 2 2 355.457 1.993 20 30 FDEDLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852891039 967692876 /nfs/dbraw/zinc/69/28/76/967692876.db2.gz WRLPFPDLRYRNTE-UHFFFAOYSA-N 2 2 368.481 1.292 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125467 974968244 /nfs/dbraw/zinc/96/82/44/974968244.db2.gz YEXPDYXAXVNFTD-IAGOWNOFSA-N 2 2 371.485 1.294 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125467 974968245 /nfs/dbraw/zinc/96/82/45/974968245.db2.gz YEXPDYXAXVNFTD-IAGOWNOFSA-N 2 2 371.485 1.294 20 30 FDEDLP C#C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000852059157 979313420 /nfs/dbraw/zinc/31/34/20/979313420.db2.gz WLPVIUXFQKAECP-LJQANCHMSA-N 2 2 362.518 1.273 20 30 FDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000859281872 982677758 /nfs/dbraw/zinc/67/77/58/982677758.db2.gz YIUNWGFSKQLHNJ-MRXNPFEDSA-N 2 2 362.433 1.899 20 30 FDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000859281872 982677765 /nfs/dbraw/zinc/67/77/65/982677765.db2.gz YIUNWGFSKQLHNJ-MRXNPFEDSA-N 2 2 362.433 1.899 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000884019436 982704168 /nfs/dbraw/zinc/70/41/68/982704168.db2.gz TZKGEXZRLTZXOH-FQEVSTJZSA-N 2 2 370.497 1.416 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000884019436 982704171 /nfs/dbraw/zinc/70/41/71/982704171.db2.gz TZKGEXZRLTZXOH-FQEVSTJZSA-N 2 2 370.497 1.416 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cc[nH+]c(N3CCSCC3)c1)C2 ZINC000884463373 983170767 /nfs/dbraw/zinc/17/07/67/983170767.db2.gz FMSOIAMEVISUPB-KOHRHEQBSA-N 2 2 371.510 1.390 20 30 FDEDLP C#CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)C1CC[NH+](C)CC1 ZINC000886575809 986375543 /nfs/dbraw/zinc/37/55/43/986375543.db2.gz LLKGTZDEJAWEBV-GOSISDBHSA-N 2 2 373.501 1.039 20 30 FDEDLP C#CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)C1CC[NH+](C)CC1 ZINC000886575809 986375559 /nfs/dbraw/zinc/37/55/59/986375559.db2.gz LLKGTZDEJAWEBV-GOSISDBHSA-N 2 2 373.501 1.039 20 30 FDEDLP C=CCN(C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363512528 989259540 /nfs/dbraw/zinc/25/95/40/989259540.db2.gz VPAIHYWXIFFPGQ-SFTDATJTSA-N 2 2 359.514 1.442 20 30 FDEDLP C=CCN(C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363512528 989259548 /nfs/dbraw/zinc/25/95/48/989259548.db2.gz VPAIHYWXIFFPGQ-SFTDATJTSA-N 2 2 359.514 1.442 20 30 FDEDLP CN(C(=O)COc1ccccc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829365 990023115 /nfs/dbraw/zinc/02/31/15/990023115.db2.gz GAWNXBCHZKUPPF-GOSISDBHSA-N 2 2 356.470 1.564 20 30 FDEDLP CN(C(=O)COc1ccccc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829365 990023126 /nfs/dbraw/zinc/02/31/26/990023126.db2.gz GAWNXBCHZKUPPF-GOSISDBHSA-N 2 2 356.470 1.564 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CN(C4CC4)CCO3)CC2)cc1 ZINC000373179037 991980989 /nfs/dbraw/zinc/98/09/89/991980989.db2.gz NQOQJPPEFNSNJX-OAQYLSRUSA-N 2 2 354.498 1.975 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000374106456 992615522 /nfs/dbraw/zinc/61/55/22/992615522.db2.gz LCBRFSURICLSBT-SJLPKXTDSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000374106456 992615527 /nfs/dbraw/zinc/61/55/27/992615527.db2.gz LCBRFSURICLSBT-SJLPKXTDSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000374106456 992615533 /nfs/dbraw/zinc/61/55/33/992615533.db2.gz LCBRFSURICLSBT-SJLPKXTDSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000374106456 992615537 /nfs/dbraw/zinc/61/55/37/992615537.db2.gz LCBRFSURICLSBT-SJLPKXTDSA-N 2 2 358.486 1.841 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000876718641 992828114 /nfs/dbraw/zinc/82/81/14/992828114.db2.gz XJTRWYGCDDJWJC-AWEZNQCLSA-N 2 2 350.850 1.483 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000876759687 992881164 /nfs/dbraw/zinc/88/11/64/992881164.db2.gz QFBAGNYNIHHDDD-IRXDYDNUSA-N 2 2 351.878 1.516 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)O1 ZINC001095610363 993777339 /nfs/dbraw/zinc/77/73/39/993777339.db2.gz KYAFTOYCKALKCK-JIKAWYKTSA-N 2 2 368.481 1.499 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)O1 ZINC001095610363 993777350 /nfs/dbraw/zinc/77/73/50/993777350.db2.gz KYAFTOYCKALKCK-JIKAWYKTSA-N 2 2 368.481 1.499 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)O1 ZINC001095610363 993777363 /nfs/dbraw/zinc/77/73/63/993777363.db2.gz KYAFTOYCKALKCK-JIKAWYKTSA-N 2 2 368.481 1.499 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)O1 ZINC001095610363 993777374 /nfs/dbraw/zinc/77/73/74/993777374.db2.gz KYAFTOYCKALKCK-JIKAWYKTSA-N 2 2 368.481 1.499 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000283412404 999751850 /nfs/dbraw/zinc/75/18/50/999751850.db2.gz YXDRTUPTGWEABX-QGZVFWFLSA-N 2 2 361.490 1.204 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000928658109 1001613260 /nfs/dbraw/zinc/61/32/60/1001613260.db2.gz LLYWTESILHXOSF-HXUWFJFHSA-N 2 2 354.498 1.189 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111145658 1006443942 /nfs/dbraw/zinc/44/39/42/1006443942.db2.gz QHYUTLIDACYDLP-QRVBRYPASA-N 2 2 370.497 1.386 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111145658 1006443945 /nfs/dbraw/zinc/44/39/45/1006443945.db2.gz QHYUTLIDACYDLP-QRVBRYPASA-N 2 2 370.497 1.386 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111162757 1006546233 /nfs/dbraw/zinc/54/62/33/1006546233.db2.gz JADVLCSCPTVPFE-VXIBKDFQSA-N 2 2 364.534 1.377 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111162757 1006546240 /nfs/dbraw/zinc/54/62/40/1006546240.db2.gz JADVLCSCPTVPFE-VXIBKDFQSA-N 2 2 364.534 1.377 20 30 FDEDLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000950357045 1009063968 /nfs/dbraw/zinc/06/39/68/1009063968.db2.gz HWKCMWOGVPCQOV-OXQOHEQNSA-N 2 2 370.497 1.962 20 30 FDEDLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000950357045 1009063982 /nfs/dbraw/zinc/06/39/82/1009063982.db2.gz HWKCMWOGVPCQOV-OXQOHEQNSA-N 2 2 370.497 1.962 20 30 FDEDLP CCc1ccc([C@@H](CNC(NCCN2CCOCC2)=[NH+]C)[NH+](C)C)cc1 ZINC000303777068 1009576042 /nfs/dbraw/zinc/57/60/42/1009576042.db2.gz INLMXENBCCQDNO-LJQANCHMSA-N 2 2 361.534 1.349 20 30 FDEDLP CCc1ccc([C@H](CNC(NCCN2CCOCC2)=[NH+]C)[NH+](C)C)cc1 ZINC000303777067 1009576256 /nfs/dbraw/zinc/57/62/56/1009576256.db2.gz INLMXENBCCQDNO-IBGZPJMESA-N 2 2 361.534 1.349 20 30 FDEDLP CC[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303906564 1009688832 /nfs/dbraw/zinc/68/88/32/1009688832.db2.gz WFDXCDZVCUAYCF-FQEVSTJZSA-N 3 2 373.545 1.450 20 30 FDEDLP CC[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000303906564 1009688844 /nfs/dbraw/zinc/68/88/44/1009688844.db2.gz WFDXCDZVCUAYCF-FQEVSTJZSA-N 3 2 373.545 1.450 20 30 FDEDLP C=CCn1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000648351376 1010450862 /nfs/dbraw/zinc/45/08/62/1010450862.db2.gz UTJIPEPVRJUHPB-MOPGFXCFSA-N 2 2 374.533 1.873 20 30 FDEDLP C=CCn1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000648351376 1010450872 /nfs/dbraw/zinc/45/08/72/1010450872.db2.gz UTJIPEPVRJUHPB-MOPGFXCFSA-N 2 2 374.533 1.873 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccccc2C#N)O1 ZINC000960715570 1011239516 /nfs/dbraw/zinc/23/95/16/1011239516.db2.gz DDKPCFGEQBAIEP-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccccc2C#N)O1 ZINC000960715570 1011239531 /nfs/dbraw/zinc/23/95/31/1011239531.db2.gz DDKPCFGEQBAIEP-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccccc2C#N)O1 ZINC000960715570 1011239542 /nfs/dbraw/zinc/23/95/42/1011239542.db2.gz DDKPCFGEQBAIEP-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccccc2C#N)O1 ZINC000960715570 1011239556 /nfs/dbraw/zinc/23/95/56/1011239556.db2.gz DDKPCFGEQBAIEP-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000507762013 538922971 /nfs/dbraw/zinc/92/29/71/538922971.db2.gz ZNRMQIGRNIIASD-KRWDZBQOSA-N 2 2 352.523 1.286 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000528515700 539765169 /nfs/dbraw/zinc/76/51/69/539765169.db2.gz ITFZOBJUWXLVRC-GOSISDBHSA-N 2 2 359.470 1.124 20 30 FDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000533411904 540243495 /nfs/dbraw/zinc/24/34/95/540243495.db2.gz CQAICVXZAJUIPC-XLIONFOSSA-N 2 2 362.514 1.932 20 30 FDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000533411904 540243497 /nfs/dbraw/zinc/24/34/97/540243497.db2.gz CQAICVXZAJUIPC-XLIONFOSSA-N 2 2 362.514 1.932 20 30 FDEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000536353958 540583536 /nfs/dbraw/zinc/58/35/36/540583536.db2.gz KSRGMTASSHSWEB-GOSISDBHSA-N 2 2 356.470 1.711 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000083170530 172202465 /nfs/dbraw/zinc/20/24/65/172202465.db2.gz AGVMLVMZTAERLM-LJQANCHMSA-N 2 2 357.454 1.817 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000083170071 172202733 /nfs/dbraw/zinc/20/27/33/172202733.db2.gz QFWXUDWWSYGHFH-SFHVURJKSA-N 2 2 372.469 1.162 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329075888 259075649 /nfs/dbraw/zinc/07/56/49/259075649.db2.gz AOUBJUQULVQNIT-IRXDYDNUSA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332072000 259239002 /nfs/dbraw/zinc/23/90/02/259239002.db2.gz WDFLQPKOTQCRIB-HLIPFELVSA-N 2 2 369.513 1.843 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332072000 259239003 /nfs/dbraw/zinc/23/90/03/259239003.db2.gz WDFLQPKOTQCRIB-HLIPFELVSA-N 2 2 369.513 1.843 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332086091 259240511 /nfs/dbraw/zinc/24/05/11/259240511.db2.gz QZLSDMUSPXFONL-DLBZAZTESA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332086091 259240512 /nfs/dbraw/zinc/24/05/12/259240512.db2.gz QZLSDMUSPXFONL-DLBZAZTESA-N 2 2 369.513 1.986 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2OC)CC1 ZINC000057154355 522014381 /nfs/dbraw/zinc/01/43/81/522014381.db2.gz VTNNQLOJJCRERZ-IBGZPJMESA-N 2 2 366.465 1.980 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000057154889 522015609 /nfs/dbraw/zinc/01/56/09/522015609.db2.gz WOBHSWHVXQYKHY-FQEVSTJZSA-N 2 2 355.482 1.521 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000050803060 522943471 /nfs/dbraw/zinc/94/34/71/522943471.db2.gz NXKVEWJDVORYAV-UHFFFAOYSA-N 2 2 356.470 1.612 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111230846 524227859 /nfs/dbraw/zinc/22/78/59/524227859.db2.gz PENLDPLKONAPIL-MOPGFXCFSA-N 2 2 350.551 1.901 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111230846 524227869 /nfs/dbraw/zinc/22/78/69/524227869.db2.gz PENLDPLKONAPIL-MOPGFXCFSA-N 2 2 350.551 1.901 20 30 FDEDLP C#CCC[NH+]1CCN(c2ncc(C)c(N3CC[NH+](CCC#C)CC3)n2)CC1 ZINC000091480606 524713262 /nfs/dbraw/zinc/71/32/62/524713262.db2.gz MBDHLURZZKPEDR-UHFFFAOYSA-N 2 2 366.513 1.076 20 30 FDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000123662759 524802019 /nfs/dbraw/zinc/80/20/19/524802019.db2.gz SRPKMDMSJJFPFS-MSOLQXFVSA-N 2 2 354.454 1.986 20 30 FDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000123662759 524802029 /nfs/dbraw/zinc/80/20/29/524802029.db2.gz SRPKMDMSJJFPFS-MSOLQXFVSA-N 2 2 354.454 1.986 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)CC1 ZINC000106562941 525758901 /nfs/dbraw/zinc/75/89/01/525758901.db2.gz NLADVEYLCHJAOG-LJQANCHMSA-N 2 2 363.550 1.448 20 30 FDEDLP CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000182107280 526057481 /nfs/dbraw/zinc/05/74/81/526057481.db2.gz GYYQRIDKAYSECJ-WOJBJXKFSA-N 2 2 370.497 1.748 20 30 FDEDLP C=CCNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000120653268 526141012 /nfs/dbraw/zinc/14/10/12/526141012.db2.gz JAQVFQDKGWSTDW-UHFFFAOYSA-N 2 2 354.454 1.976 20 30 FDEDLP CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000171946429 526189175 /nfs/dbraw/zinc/18/91/75/526189175.db2.gz USOBIOWVWPWQTO-CQSZACIVSA-N 2 2 362.474 1.195 20 30 FDEDLP Cc1[nH+]ccn1CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000299065741 537428255 /nfs/dbraw/zinc/42/82/55/537428255.db2.gz UKXQOZAYCZJKKG-UHFFFAOYSA-N 2 2 359.455 1.070 20 30 FDEDLP CN(C)c1[nH+]cc(CNC(=O)C2CC[NH+](Cc3nccn3C)CC2)n1C ZINC000329712453 537642515 /nfs/dbraw/zinc/64/25/15/537642515.db2.gz QCUPOSOYVHPLHV-UHFFFAOYSA-N 2 2 359.478 1.588 20 30 FDEDLP CC1CC[NH+](CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000329913980 537645145 /nfs/dbraw/zinc/64/51/45/537645145.db2.gz CEGNQWQIZQNJJS-UHFFFAOYSA-N 2 2 373.501 1.809 20 30 FDEDLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccsc1 ZINC000331018415 537664656 /nfs/dbraw/zinc/66/46/56/537664656.db2.gz ZJICUSNTTQPFSD-OAHLLOKOSA-N 2 2 354.520 1.653 20 30 FDEDLP Cc1oc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C#N)c1C ZINC000377833260 538033077 /nfs/dbraw/zinc/03/30/77/538033077.db2.gz XWWQOAMPJANJKN-QGZVFWFLSA-N 2 2 373.501 1.807 20 30 FDEDLP Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C#N)c1C ZINC000377833260 538033080 /nfs/dbraw/zinc/03/30/80/538033080.db2.gz XWWQOAMPJANJKN-QGZVFWFLSA-N 2 2 373.501 1.807 20 30 FDEDLP C[C@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[NH+]1CCCCC1 ZINC000569569003 548963508 /nfs/dbraw/zinc/96/35/08/548963508.db2.gz NZESIHJEKZHNNM-OAHLLOKOSA-N 2 2 350.488 1.581 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H](C[NH3+])C1 ZINC000569673634 549004076 /nfs/dbraw/zinc/00/40/76/549004076.db2.gz KMRMZDGEIOGBAO-OAHLLOKOSA-N 2 2 370.482 1.712 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H](C[NH3+])C1 ZINC000569673634 549004080 /nfs/dbraw/zinc/00/40/80/549004080.db2.gz KMRMZDGEIOGBAO-OAHLLOKOSA-N 2 2 370.482 1.712 20 30 FDEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000574835759 550378605 /nfs/dbraw/zinc/37/86/05/550378605.db2.gz HUEYJDFCQHVUKH-IBGZPJMESA-N 2 2 356.470 1.519 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000576468996 550552698 /nfs/dbraw/zinc/55/26/98/550552698.db2.gz MDFSAHRRXKRSBD-UHFFFAOYSA-N 2 2 360.414 1.126 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000580065127 550939109 /nfs/dbraw/zinc/93/91/09/550939109.db2.gz KMCKNSLZPMJDNA-SFHVURJKSA-N 2 2 354.454 1.857 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000590193169 551764020 /nfs/dbraw/zinc/76/40/20/551764020.db2.gz ICUJGRFCDSYLTE-AZUAARDMSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000590193169 551764021 /nfs/dbraw/zinc/76/40/21/551764021.db2.gz ICUJGRFCDSYLTE-AZUAARDMSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000590193169 551764022 /nfs/dbraw/zinc/76/40/22/551764022.db2.gz ICUJGRFCDSYLTE-AZUAARDMSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000590193169 551764023 /nfs/dbraw/zinc/76/40/23/551764023.db2.gz ICUJGRFCDSYLTE-AZUAARDMSA-N 2 2 361.534 1.096 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000592184715 551955139 /nfs/dbraw/zinc/95/51/39/551955139.db2.gz NNVPBXAPIFQCBF-IBGZPJMESA-N 2 2 368.481 1.850 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000592184715 551955140 /nfs/dbraw/zinc/95/51/40/551955140.db2.gz NNVPBXAPIFQCBF-IBGZPJMESA-N 2 2 368.481 1.850 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000594539269 552331085 /nfs/dbraw/zinc/33/10/85/552331085.db2.gz YUEIBMJIYJRXBN-AWEZNQCLSA-N 2 2 355.364 1.275 20 30 FDEDLP Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000595106004 552452298 /nfs/dbraw/zinc/45/22/98/552452298.db2.gz GLYDMKREADWBRF-HNNXBMFYSA-N 2 2 359.474 1.193 20 30 FDEDLP Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000595106004 552452301 /nfs/dbraw/zinc/45/23/01/552452301.db2.gz GLYDMKREADWBRF-HNNXBMFYSA-N 2 2 359.474 1.193 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000595106775 552452864 /nfs/dbraw/zinc/45/28/64/552452864.db2.gz LEBIZPJDAXJDFC-ZDUSSCGKSA-N 2 2 363.437 1.024 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000595106775 552452865 /nfs/dbraw/zinc/45/28/65/552452865.db2.gz LEBIZPJDAXJDFC-ZDUSSCGKSA-N 2 2 363.437 1.024 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470729 552568066 /nfs/dbraw/zinc/56/80/66/552568066.db2.gz QYSCZWJGDZDDOJ-UXHICEINSA-N 2 2 373.497 1.679 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470729 552568068 /nfs/dbraw/zinc/56/80/68/552568068.db2.gz QYSCZWJGDZDDOJ-UXHICEINSA-N 2 2 373.497 1.679 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000595505438 552574302 /nfs/dbraw/zinc/57/43/02/552574302.db2.gz UGQZAICUWLTGEL-AZUAARDMSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000595505438 552574303 /nfs/dbraw/zinc/57/43/03/552574303.db2.gz UGQZAICUWLTGEL-AZUAARDMSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000595505438 552574304 /nfs/dbraw/zinc/57/43/04/552574304.db2.gz UGQZAICUWLTGEL-AZUAARDMSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000595505438 552574306 /nfs/dbraw/zinc/57/43/06/552574306.db2.gz UGQZAICUWLTGEL-AZUAARDMSA-N 2 2 361.534 1.096 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904187 552631159 /nfs/dbraw/zinc/63/11/59/552631159.db2.gz ACZJMOKWQFGQPI-IAGOWNOFSA-N 2 2 350.507 1.760 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904187 552631160 /nfs/dbraw/zinc/63/11/60/552631160.db2.gz ACZJMOKWQFGQPI-IAGOWNOFSA-N 2 2 350.507 1.760 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)CC2)cc1 ZINC000596651952 552697172 /nfs/dbraw/zinc/69/71/72/552697172.db2.gz DCTISUSYZVDGTR-UHFFFAOYSA-N 3 2 352.442 1.267 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000597989253 552853173 /nfs/dbraw/zinc/85/31/73/552853173.db2.gz AMBSSTMNWRVDPU-UHFFFAOYSA-N 2 2 354.458 1.357 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000597989253 552853175 /nfs/dbraw/zinc/85/31/75/552853175.db2.gz AMBSSTMNWRVDPU-UHFFFAOYSA-N 2 2 354.458 1.357 20 30 FDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599424286 553054353 /nfs/dbraw/zinc/05/43/53/553054353.db2.gz MJBQATYFULZRQO-WMZOPIPTSA-N 2 2 351.491 1.243 20 30 FDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599424286 553054355 /nfs/dbraw/zinc/05/43/55/553054355.db2.gz MJBQATYFULZRQO-WMZOPIPTSA-N 2 2 351.491 1.243 20 30 FDEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600724112 553307624 /nfs/dbraw/zinc/30/76/24/553307624.db2.gz XHVAAENVHYTGBQ-INIZCTEOSA-N 2 2 353.507 1.537 20 30 FDEDLP Cc1cc(C)c(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c(C)[nH+]1 ZINC000601082498 553346101 /nfs/dbraw/zinc/34/61/01/553346101.db2.gz HVSCUYNGCKRJPC-UHFFFAOYSA-N 2 2 352.438 1.921 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccccc1 ZINC000264063426 672899987 /nfs/dbraw/zinc/89/99/87/672899987.db2.gz AEGKYJJSRIBZCZ-OAHLLOKOSA-N 2 2 352.504 1.239 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccccc1 ZINC000264063426 672899990 /nfs/dbraw/zinc/89/99/90/672899990.db2.gz AEGKYJJSRIBZCZ-OAHLLOKOSA-N 2 2 352.504 1.239 20 30 FDEDLP C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C1=CC[N@H+](C)CC1 ZINC000329314040 676632797 /nfs/dbraw/zinc/63/27/97/676632797.db2.gz GWIOOYSOXVSLHZ-YJBOKZPZSA-N 2 2 368.547 1.348 20 30 FDEDLP C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C1=CC[N@@H+](C)CC1 ZINC000329314040 676632798 /nfs/dbraw/zinc/63/27/98/676632798.db2.gz GWIOOYSOXVSLHZ-YJBOKZPZSA-N 2 2 368.547 1.348 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)CC2)CC1 ZINC000329553957 676643660 /nfs/dbraw/zinc/64/36/60/676643660.db2.gz KGKYMHACUCMZCX-WBAXXEDZSA-N 2 2 350.507 1.162 20 30 FDEDLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC#N ZINC000331323007 676727389 /nfs/dbraw/zinc/72/73/89/676727389.db2.gz LMXFHTRHFZLOQG-SJORKVTESA-N 2 2 356.536 1.499 20 30 FDEDLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC#N ZINC000331323007 676727392 /nfs/dbraw/zinc/72/73/92/676727392.db2.gz LMXFHTRHFZLOQG-SJORKVTESA-N 2 2 356.536 1.499 20 30 FDEDLP C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437934037 681822650 /nfs/dbraw/zinc/82/26/50/681822650.db2.gz PCOIMMGDEKZVLU-SJLPKXTDSA-N 2 2 352.523 1.635 20 30 FDEDLP C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437934037 681822657 /nfs/dbraw/zinc/82/26/57/681822657.db2.gz PCOIMMGDEKZVLU-SJLPKXTDSA-N 2 2 352.523 1.635 20 30 FDEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668619189 782971506 /nfs/dbraw/zinc/97/15/06/782971506.db2.gz ZVWVBXKYPNHZHO-QZTJIDSGSA-N 2 2 350.507 1.084 20 30 FDEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668619189 782971511 /nfs/dbraw/zinc/97/15/11/782971511.db2.gz ZVWVBXKYPNHZHO-QZTJIDSGSA-N 2 2 350.507 1.084 20 30 FDEDLP C=CC[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658494442 784147199 /nfs/dbraw/zinc/14/71/99/784147199.db2.gz BWQUFLIZBSLTGW-KRWDZBQOSA-N 2 2 364.534 1.286 20 30 FDEDLP C=CC[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658494442 784147209 /nfs/dbraw/zinc/14/72/09/784147209.db2.gz BWQUFLIZBSLTGW-KRWDZBQOSA-N 2 2 364.534 1.286 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638692 792389384 /nfs/dbraw/zinc/38/93/84/792389384.db2.gz DQHPZEDEJXJCPQ-APWZRJJASA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638692 792389392 /nfs/dbraw/zinc/38/93/92/792389392.db2.gz DQHPZEDEJXJCPQ-APWZRJJASA-N 2 2 370.497 1.952 20 30 FDEDLP C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104836128 793985069 /nfs/dbraw/zinc/98/50/69/793985069.db2.gz WDNILCCEOGJSLS-DGCLKSJQSA-N 2 2 355.280 1.935 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)CC2(C)C)O1 ZINC000974724128 800190484 /nfs/dbraw/zinc/19/04/84/800190484.db2.gz KNOXJHUCMHNLDW-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)CC2(C)C)O1 ZINC000974724128 800190486 /nfs/dbraw/zinc/19/04/86/800190486.db2.gz KNOXJHUCMHNLDW-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)O1 ZINC000974724128 800190489 /nfs/dbraw/zinc/19/04/89/800190489.db2.gz KNOXJHUCMHNLDW-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)O1 ZINC000974724128 800190493 /nfs/dbraw/zinc/19/04/93/800190493.db2.gz KNOXJHUCMHNLDW-ATZDWAIDSA-N 2 2 370.497 1.604 20 30 FDEDLP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028042955 807677791 /nfs/dbraw/zinc/67/77/91/807677791.db2.gz CFWFLGUSACVLNP-KURKYZTESA-N 2 2 351.491 1.023 20 30 FDEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028042955 807677795 /nfs/dbraw/zinc/67/77/95/807677795.db2.gz CFWFLGUSACVLNP-KURKYZTESA-N 2 2 351.491 1.023 20 30 FDEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000517005931 817171371 /nfs/dbraw/zinc/17/13/71/817171371.db2.gz JMAZIQRTBBSOBI-HNNXBMFYSA-N 2 2 369.473 1.052 20 30 FDEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000517005931 817171377 /nfs/dbraw/zinc/17/13/77/817171377.db2.gz JMAZIQRTBBSOBI-HNNXBMFYSA-N 2 2 369.473 1.052 20 30 FDEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)cn3)CC2)CC1 ZINC000521337608 821222929 /nfs/dbraw/zinc/22/29/29/821222929.db2.gz ASJRKKKJUNOJKT-UHFFFAOYSA-N 2 2 355.486 1.719 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nocc3C)[C@@H]2CC)CC1 ZINC001087839975 822558840 /nfs/dbraw/zinc/55/88/40/822558840.db2.gz BRONWQSOBTWDLK-PKOBYXMFSA-N 2 2 358.486 1.797 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nocc3C)[C@@H]2CC)CC1 ZINC001087839975 822558842 /nfs/dbraw/zinc/55/88/42/822558842.db2.gz BRONWQSOBTWDLK-PKOBYXMFSA-N 2 2 358.486 1.797 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)on3)CC[C@@H]2C1 ZINC001087997855 825072151 /nfs/dbraw/zinc/07/21/51/825072151.db2.gz CLXIFTDCEXXBCG-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)on3)CC[C@@H]2C1 ZINC001087997855 825072161 /nfs/dbraw/zinc/07/21/61/825072161.db2.gz CLXIFTDCEXXBCG-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)on3)CC[C@@H]2C1 ZINC001087997855 825072176 /nfs/dbraw/zinc/07/21/76/825072176.db2.gz CLXIFTDCEXXBCG-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)on3)CC[C@@H]2C1 ZINC001087997855 825072177 /nfs/dbraw/zinc/07/21/77/825072177.db2.gz CLXIFTDCEXXBCG-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(CC)n3)CC[C@@H]2C1 ZINC001087997928 825072950 /nfs/dbraw/zinc/07/29/50/825072950.db2.gz HURFDYMWKLEJTM-HBFSDRIKSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(CC)n3)CC[C@@H]2C1 ZINC001087997928 825072956 /nfs/dbraw/zinc/07/29/56/825072956.db2.gz HURFDYMWKLEJTM-HBFSDRIKSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccn(CC)n3)CC[C@@H]2C1 ZINC001087997928 825072964 /nfs/dbraw/zinc/07/29/64/825072964.db2.gz HURFDYMWKLEJTM-HBFSDRIKSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccn(CC)n3)CC[C@@H]2C1 ZINC001087997928 825072972 /nfs/dbraw/zinc/07/29/72/825072972.db2.gz HURFDYMWKLEJTM-HBFSDRIKSA-N 2 2 369.513 1.281 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000329881412 825521089 /nfs/dbraw/zinc/52/10/89/825521089.db2.gz OMUATAPRAKNUGH-MRXNPFEDSA-N 2 2 374.489 1.884 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000329881412 825521095 /nfs/dbraw/zinc/52/10/95/825521095.db2.gz OMUATAPRAKNUGH-MRXNPFEDSA-N 2 2 374.489 1.884 20 30 FDEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330180062 825708087 /nfs/dbraw/zinc/70/80/87/825708087.db2.gz FSQGWNHKTBXYTM-SFHVURJKSA-N 2 2 369.469 1.940 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCCC[N@H+]3CCO)CC2)cc1 ZINC000449395335 829472448 /nfs/dbraw/zinc/47/24/48/829472448.db2.gz POAQPDMFIDZIIZ-NRFANRHFSA-N 2 2 356.514 1.959 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCCC[N@@H+]3CCO)CC2)cc1 ZINC000449395335 829472449 /nfs/dbraw/zinc/47/24/49/829472449.db2.gz POAQPDMFIDZIIZ-NRFANRHFSA-N 2 2 356.514 1.959 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)s1 ZINC001076106244 847295819 /nfs/dbraw/zinc/29/58/19/847295819.db2.gz WHBKZPNCVLNOCQ-WMLDXEAASA-N 2 2 355.467 1.939 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)s1 ZINC001076106244 847295824 /nfs/dbraw/zinc/29/58/24/847295824.db2.gz WHBKZPNCVLNOCQ-WMLDXEAASA-N 2 2 355.467 1.939 20 30 FDEDLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076632626 848618373 /nfs/dbraw/zinc/61/83/73/848618373.db2.gz XJRNQJRKQMRHMN-PKOBYXMFSA-N 2 2 352.413 1.607 20 30 FDEDLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076632626 848618377 /nfs/dbraw/zinc/61/83/77/848618377.db2.gz XJRNQJRKQMRHMN-PKOBYXMFSA-N 2 2 352.413 1.607 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077026531 849573337 /nfs/dbraw/zinc/57/33/37/849573337.db2.gz ASTGVRNDYBCNAH-JCHJZTRSSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC[N@H+]1C ZINC001077026531 849573345 /nfs/dbraw/zinc/57/33/45/849573345.db2.gz ASTGVRNDYBCNAH-JCHJZTRSSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC[NH+]1C ZINC001077026531 849573348 /nfs/dbraw/zinc/57/33/48/849573348.db2.gz ASTGVRNDYBCNAH-JCHJZTRSSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CC[NH+]1C ZINC001077026531 849573356 /nfs/dbraw/zinc/57/33/56/849573356.db2.gz ASTGVRNDYBCNAH-JCHJZTRSSA-N 2 2 374.460 1.089 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@H]1O ZINC001077158836 849953920 /nfs/dbraw/zinc/95/39/20/849953920.db2.gz AUIZVKFAPDFYMA-FGTMMUONSA-N 2 2 361.511 1.124 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)sc2C)C[C@H]1O ZINC001077158836 849953928 /nfs/dbraw/zinc/95/39/28/849953928.db2.gz AUIZVKFAPDFYMA-FGTMMUONSA-N 2 2 361.511 1.124 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)sc2C)C[C@H]1O ZINC001077158836 849953931 /nfs/dbraw/zinc/95/39/31/849953931.db2.gz AUIZVKFAPDFYMA-FGTMMUONSA-N 2 2 361.511 1.124 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)sc2C)C[C@H]1O ZINC001077158836 849953937 /nfs/dbraw/zinc/95/39/37/849953937.db2.gz AUIZVKFAPDFYMA-FGTMMUONSA-N 2 2 361.511 1.124 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1O ZINC001077158933 849954472 /nfs/dbraw/zinc/95/44/72/849954472.db2.gz FQYOXWRCIYRHFV-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@H]1O ZINC001077158933 849954481 /nfs/dbraw/zinc/95/44/81/849954481.db2.gz FQYOXWRCIYRHFV-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)c(C)c2)C[C@H]1O ZINC001077158933 849954484 /nfs/dbraw/zinc/95/44/84/849954484.db2.gz FQYOXWRCIYRHFV-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)c(C)c2)C[C@H]1O ZINC001077158933 849954485 /nfs/dbraw/zinc/95/44/85/849954485.db2.gz FQYOXWRCIYRHFV-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@H](C)O2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000669014574 860164562 /nfs/dbraw/zinc/16/45/62/860164562.db2.gz RGUGWKRGGMNCHG-ULQDDVLXSA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@H](C)O2)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000669014574 860164567 /nfs/dbraw/zinc/16/45/67/860164567.db2.gz RGUGWKRGGMNCHG-ULQDDVLXSA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000669014574 860164574 /nfs/dbraw/zinc/16/45/74/860164574.db2.gz RGUGWKRGGMNCHG-ULQDDVLXSA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000669014574 860164580 /nfs/dbraw/zinc/16/45/80/860164580.db2.gz RGUGWKRGGMNCHG-ULQDDVLXSA-N 2 2 362.522 1.632 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001089041116 866240549 /nfs/dbraw/zinc/24/05/49/866240549.db2.gz DFGLCBBEZUDKLV-KDOFPFPSSA-N 2 2 367.453 1.851 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001089041116 866240558 /nfs/dbraw/zinc/24/05/58/866240558.db2.gz DFGLCBBEZUDKLV-KDOFPFPSSA-N 2 2 367.453 1.851 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)oc3C)[C@@H]2C)CC1 ZINC001089059313 866383935 /nfs/dbraw/zinc/38/39/35/866383935.db2.gz HYJJKRGDTHUREZ-KDOFPFPSSA-N 2 2 358.486 1.716 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)oc3C)[C@@H]2C)CC1 ZINC001089059313 866383949 /nfs/dbraw/zinc/38/39/49/866383949.db2.gz HYJJKRGDTHUREZ-KDOFPFPSSA-N 2 2 358.486 1.716 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074062 866524118 /nfs/dbraw/zinc/52/41/18/866524118.db2.gz WDQLLZYKMCFWLT-PBHICJAKSA-N 2 2 353.426 1.543 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074062 866524126 /nfs/dbraw/zinc/52/41/26/866524126.db2.gz WDQLLZYKMCFWLT-PBHICJAKSA-N 2 2 353.426 1.543 20 30 FDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991976045 866694396 /nfs/dbraw/zinc/69/43/96/866694396.db2.gz QFXHMRCDOCFHSG-LXZJYRNTSA-N 2 2 363.502 1.165 20 30 FDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991976045 866694407 /nfs/dbraw/zinc/69/44/07/866694407.db2.gz QFXHMRCDOCFHSG-LXZJYRNTSA-N 2 2 363.502 1.165 20 30 FDEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455183 875397906 /nfs/dbraw/zinc/39/79/06/875397906.db2.gz DQAHCPDFRMVJBU-RHSMWYFYSA-N 2 2 356.470 1.054 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033903983 883428641 /nfs/dbraw/zinc/42/86/41/883428641.db2.gz NGOWVDDNKFNPHU-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033903983 883428649 /nfs/dbraw/zinc/42/86/49/883428649.db2.gz NGOWVDDNKFNPHU-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129049015 885537899 /nfs/dbraw/zinc/53/78/99/885537899.db2.gz OINJJJPXHVRIKH-UAGQMJEPSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129049015 885537909 /nfs/dbraw/zinc/53/79/09/885537909.db2.gz OINJJJPXHVRIKH-UAGQMJEPSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129049015 885537919 /nfs/dbraw/zinc/53/79/19/885537919.db2.gz OINJJJPXHVRIKH-UAGQMJEPSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129049015 885537931 /nfs/dbraw/zinc/53/79/31/885537931.db2.gz OINJJJPXHVRIKH-UAGQMJEPSA-N 2 2 357.462 1.330 20 30 FDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035369888 885922684 /nfs/dbraw/zinc/92/26/84/885922684.db2.gz BXSVLXBOLCWPQC-QRVBRYPASA-N 2 2 365.518 1.126 20 30 FDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035369888 885922690 /nfs/dbraw/zinc/92/26/90/885922690.db2.gz BXSVLXBOLCWPQC-QRVBRYPASA-N 2 2 365.518 1.126 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](n2ccnn2)C1 ZINC001129248952 886823300 /nfs/dbraw/zinc/82/33/00/886823300.db2.gz SLOSCGLJDJGENG-UAGQMJEPSA-N 2 2 369.473 1.429 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](n2ccnn2)C1 ZINC001129248952 886823320 /nfs/dbraw/zinc/82/33/20/886823320.db2.gz SLOSCGLJDJGENG-UAGQMJEPSA-N 2 2 369.473 1.429 20 30 FDEDLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001127547986 887287873 /nfs/dbraw/zinc/28/78/73/887287873.db2.gz VYSVILHTBBFPQG-VQIMIIECSA-N 2 2 363.465 1.932 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543845 889606306 /nfs/dbraw/zinc/60/63/06/889606306.db2.gz ZCUOVQSUVIQIDE-ZWOKBUDYSA-N 2 2 358.486 1.456 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543845 889606313 /nfs/dbraw/zinc/60/63/13/889606313.db2.gz ZCUOVQSUVIQIDE-ZWOKBUDYSA-N 2 2 358.486 1.456 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129289072 890068046 /nfs/dbraw/zinc/06/80/46/890068046.db2.gz PXDNTRISTFZUGC-ZACQAIPSSA-N 2 2 357.462 1.434 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129289072 890068069 /nfs/dbraw/zinc/06/80/69/890068069.db2.gz PXDNTRISTFZUGC-ZACQAIPSSA-N 2 2 357.462 1.434 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3cccs3)C[C@H]21 ZINC001084418063 914382255 /nfs/dbraw/zinc/38/22/55/914382255.db2.gz SUUGDZFZYNWTLA-NZSAHSFTSA-N 2 2 357.523 1.921 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3cccs3)C[C@H]21 ZINC001084418063 914382281 /nfs/dbraw/zinc/38/22/81/914382281.db2.gz SUUGDZFZYNWTLA-NZSAHSFTSA-N 2 2 357.523 1.921 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3cccs3)C[C@H]21 ZINC001084418063 914382303 /nfs/dbraw/zinc/38/23/03/914382303.db2.gz SUUGDZFZYNWTLA-NZSAHSFTSA-N 2 2 357.523 1.921 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cccs3)C[C@H]21 ZINC001084418063 914382324 /nfs/dbraw/zinc/38/23/24/914382324.db2.gz SUUGDZFZYNWTLA-NZSAHSFTSA-N 2 2 357.523 1.921 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001079136842 902007449 /nfs/dbraw/zinc/00/74/49/902007449.db2.gz FXVTUXFCLYKLMN-PWRODBHTSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](C(C)C)C[C@H]1O ZINC001079136842 902007457 /nfs/dbraw/zinc/00/74/57/902007457.db2.gz FXVTUXFCLYKLMN-PWRODBHTSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C(C)C)C[C@H]1O ZINC001079136842 902007469 /nfs/dbraw/zinc/00/74/69/902007469.db2.gz FXVTUXFCLYKLMN-PWRODBHTSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C(C)C)C[C@H]1O ZINC001079136842 902007482 /nfs/dbraw/zinc/00/74/82/902007482.db2.gz FXVTUXFCLYKLMN-PWRODBHTSA-N 2 2 369.509 1.566 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079254555 902281653 /nfs/dbraw/zinc/28/16/53/902281653.db2.gz IJASLXBRQNQYCQ-ZWKOTPCHSA-N 2 2 356.470 1.236 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001080139294 904783448 /nfs/dbraw/zinc/78/34/48/904783448.db2.gz VMTQRXSHXRYCGM-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001080139294 904783460 /nfs/dbraw/zinc/78/34/60/904783460.db2.gz VMTQRXSHXRYCGM-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081855530 905240713 /nfs/dbraw/zinc/24/07/13/905240713.db2.gz IKOSMYAJXQEOIO-CEXWTWQISA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081855530 905240725 /nfs/dbraw/zinc/24/07/25/905240725.db2.gz IKOSMYAJXQEOIO-CEXWTWQISA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081855530 905240742 /nfs/dbraw/zinc/24/07/42/905240742.db2.gz IKOSMYAJXQEOIO-CEXWTWQISA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081855530 905240753 /nfs/dbraw/zinc/24/07/53/905240753.db2.gz IKOSMYAJXQEOIO-CEXWTWQISA-N 2 2 356.470 1.358 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1C#N ZINC001080943115 906763324 /nfs/dbraw/zinc/76/33/24/906763324.db2.gz QGKZPYIFYMFMPQ-CRAIPNDOSA-N 2 2 356.470 1.599 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1C#N ZINC001080943115 906763336 /nfs/dbraw/zinc/76/33/36/906763336.db2.gz QGKZPYIFYMFMPQ-CRAIPNDOSA-N 2 2 356.470 1.599 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080947010 906781559 /nfs/dbraw/zinc/78/15/59/906781559.db2.gz WASLWFKNFLJPIL-RDTXWAMCSA-N 2 2 367.453 1.709 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080947010 906781569 /nfs/dbraw/zinc/78/15/69/906781569.db2.gz WASLWFKNFLJPIL-RDTXWAMCSA-N 2 2 367.453 1.709 20 30 FDEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CC1 ZINC001077778722 907867105 /nfs/dbraw/zinc/86/71/05/907867105.db2.gz YNYOQFDNTTXZHL-IAGOWNOFSA-N 2 2 362.499 1.013 20 30 FDEDLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CC1 ZINC001077778722 907867123 /nfs/dbraw/zinc/86/71/23/907867123.db2.gz YNYOQFDNTTXZHL-IAGOWNOFSA-N 2 2 362.499 1.013 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082549699 908491130 /nfs/dbraw/zinc/49/11/30/908491130.db2.gz VEFYHFYOTYRZMR-DNVCBOLYSA-N 2 2 367.453 1.881 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082549699 908491141 /nfs/dbraw/zinc/49/11/41/908491141.db2.gz VEFYHFYOTYRZMR-DNVCBOLYSA-N 2 2 367.453 1.881 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001082568780 908712544 /nfs/dbraw/zinc/71/25/44/908712544.db2.gz RIIBWRMUWHTYNV-XYPHTWIQSA-N 2 2 363.893 1.108 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001082568780 908712560 /nfs/dbraw/zinc/71/25/60/908712560.db2.gz RIIBWRMUWHTYNV-XYPHTWIQSA-N 2 2 363.893 1.108 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082604472 908926182 /nfs/dbraw/zinc/92/61/82/908926182.db2.gz RHSAJGAFJMFHHQ-AYOQOUSVSA-N 2 2 363.465 1.954 20 30 FDEDLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084540191 915262123 /nfs/dbraw/zinc/26/21/23/915262123.db2.gz ZLYSGLQQUKDXBQ-RTBURBONSA-N 2 2 363.465 1.957 20 30 FDEDLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084540191 915262134 /nfs/dbraw/zinc/26/21/34/915262134.db2.gz ZLYSGLQQUKDXBQ-RTBURBONSA-N 2 2 363.465 1.957 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000730098177 916120626 /nfs/dbraw/zinc/12/06/26/916120626.db2.gz YJWFSBWHKQFCCA-NRFANRHFSA-N 2 2 368.525 1.538 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000730098177 916120635 /nfs/dbraw/zinc/12/06/35/916120635.db2.gz YJWFSBWHKQFCCA-NRFANRHFSA-N 2 2 368.525 1.538 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777571 917051367 /nfs/dbraw/zinc/05/13/67/917051367.db2.gz DPIZYQFSWYBBBC-RTBURBONSA-N 2 2 350.466 1.687 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777571 917051382 /nfs/dbraw/zinc/05/13/82/917051382.db2.gz DPIZYQFSWYBBBC-RTBURBONSA-N 2 2 350.466 1.687 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@H](C)c4ncc(C)o4)C[C@H]32)CC1 ZINC001084851104 917659025 /nfs/dbraw/zinc/65/90/25/917659025.db2.gz MYTGPSNNOTZUKE-BHIYHBOVSA-N 2 2 370.497 1.922 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H](C)c4ncc(C)o4)C[C@H]32)CC1 ZINC001084851104 917659030 /nfs/dbraw/zinc/65/90/30/917659030.db2.gz MYTGPSNNOTZUKE-BHIYHBOVSA-N 2 2 370.497 1.922 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911309 918248748 /nfs/dbraw/zinc/24/87/48/918248748.db2.gz WZDZQXZOLAIWMP-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911309 918248762 /nfs/dbraw/zinc/24/87/62/918248762.db2.gz WZDZQXZOLAIWMP-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911309 918248769 /nfs/dbraw/zinc/24/87/69/918248769.db2.gz WZDZQXZOLAIWMP-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911309 918248780 /nfs/dbraw/zinc/24/87/80/918248780.db2.gz WZDZQXZOLAIWMP-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071964 928261830 /nfs/dbraw/zinc/26/18/30/928261830.db2.gz JDXYJIZTZHJWSQ-FSMNLTDPSA-N 2 2 363.487 1.319 20 30 FDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129460350 938435666 /nfs/dbraw/zinc/43/56/66/938435666.db2.gz KAUWEFQMLNXQJO-FGTMMUONSA-N 2 2 360.506 1.316 20 30 FDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129460350 938435667 /nfs/dbraw/zinc/43/56/67/938435667.db2.gz KAUWEFQMLNXQJO-FGTMMUONSA-N 2 2 360.506 1.316 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130615081 939912735 /nfs/dbraw/zinc/91/27/35/939912735.db2.gz KCTIZSRUGVPHSL-UHOSZYNNSA-N 2 2 368.485 1.421 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130712641 939999172 /nfs/dbraw/zinc/99/91/72/939999172.db2.gz FIJOXVRPGCJZOD-DOTOQJQBSA-N 2 2 370.501 1.971 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCC#N ZINC001131125577 940507702 /nfs/dbraw/zinc/50/77/02/940507702.db2.gz HOSCBQUIZVSNCW-IAGOWNOFSA-N 2 2 358.490 1.094 20 30 FDEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001131313049 940552710 /nfs/dbraw/zinc/55/27/10/940552710.db2.gz GFETVBMDHATYJV-ZACQAIPSSA-N 2 2 364.490 1.010 20 30 FDEDLP C=CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001131313049 940552711 /nfs/dbraw/zinc/55/27/11/940552711.db2.gz GFETVBMDHATYJV-ZACQAIPSSA-N 2 2 364.490 1.010 20 30 FDEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001131313049 940552712 /nfs/dbraw/zinc/55/27/12/940552712.db2.gz GFETVBMDHATYJV-ZACQAIPSSA-N 2 2 364.490 1.010 20 30 FDEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001131313049 940552713 /nfs/dbraw/zinc/55/27/13/940552713.db2.gz GFETVBMDHATYJV-ZACQAIPSSA-N 2 2 364.490 1.010 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001131572972 940748951 /nfs/dbraw/zinc/74/89/51/940748951.db2.gz PNMBWVVRNDIOCB-POAQFYNOSA-N 2 2 358.486 1.843 20 30 FDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000813837775 941484090 /nfs/dbraw/zinc/48/40/90/941484090.db2.gz WFJREJNVXUAZCJ-MRXNPFEDSA-N 2 2 366.506 1.258 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000846444347 951123036 /nfs/dbraw/zinc/12/30/36/951123036.db2.gz UQSZLKCLMZYSTL-PCCBWWKXSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000846444347 951123043 /nfs/dbraw/zinc/12/30/43/951123043.db2.gz UQSZLKCLMZYSTL-PCCBWWKXSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000846444347 951123056 /nfs/dbraw/zinc/12/30/56/951123056.db2.gz UQSZLKCLMZYSTL-PCCBWWKXSA-N 2 2 367.493 1.586 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000846444347 951123073 /nfs/dbraw/zinc/12/30/73/951123073.db2.gz UQSZLKCLMZYSTL-PCCBWWKXSA-N 2 2 367.493 1.586 20 30 FDEDLP C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847022251 951775792 /nfs/dbraw/zinc/77/57/92/951775792.db2.gz SUHALVKICSLCOP-OALUTQOASA-N 2 2 369.509 1.869 20 30 FDEDLP C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847022251 951775800 /nfs/dbraw/zinc/77/58/00/951775800.db2.gz SUHALVKICSLCOP-OALUTQOASA-N 2 2 369.509 1.869 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001093472740 958240756 /nfs/dbraw/zinc/24/07/56/958240756.db2.gz MTHMCFUWHZXVLS-KJWYOANISA-N 2 2 366.893 1.671 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110196131 963468417 /nfs/dbraw/zinc/46/84/17/963468417.db2.gz UNEUMNBDUPFDLA-BDXSIMOUSA-N 2 2 373.501 1.418 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110196131 963468422 /nfs/dbraw/zinc/46/84/22/963468422.db2.gz UNEUMNBDUPFDLA-BDXSIMOUSA-N 2 2 373.501 1.418 20 30 FDEDLP C=CC[NH+]1CCN(C(=O)C2CC[NH+](C3CCN(C(C)=O)CC3)CC2)CC1 ZINC001179010534 964627001 /nfs/dbraw/zinc/62/70/01/964627001.db2.gz HSCXHMDXEKFKOW-UHFFFAOYSA-N 2 2 362.518 1.040 20 30 FDEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469306 968523909 /nfs/dbraw/zinc/52/39/09/968523909.db2.gz VDFPYASHKJTWAN-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469306 968523920 /nfs/dbraw/zinc/52/39/20/968523920.db2.gz VDFPYASHKJTWAN-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469305 968524145 /nfs/dbraw/zinc/52/41/45/968524145.db2.gz VDFPYASHKJTWAN-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469305 968524150 /nfs/dbraw/zinc/52/41/50/968524150.db2.gz VDFPYASHKJTWAN-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128725 973931594 /nfs/dbraw/zinc/93/15/94/973931594.db2.gz SQTNRXWGFDTRBE-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000866665977 975887737 /nfs/dbraw/zinc/88/77/37/975887737.db2.gz JRLWOXCHHRKZOB-OTWHNJEPSA-N 2 2 357.454 1.991 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000868290884 977456196 /nfs/dbraw/zinc/45/61/96/977456196.db2.gz VIQSPFXXNATVDP-MOPGFXCFSA-N 2 2 367.497 1.493 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000868290884 977456206 /nfs/dbraw/zinc/45/62/06/977456206.db2.gz VIQSPFXXNATVDP-MOPGFXCFSA-N 2 2 367.497 1.493 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754400 982237712 /nfs/dbraw/zinc/23/77/12/982237712.db2.gz LIYCZJAVPNMEFA-ZJPYXAASSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754400 982237719 /nfs/dbraw/zinc/23/77/19/982237719.db2.gz LIYCZJAVPNMEFA-ZJPYXAASSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754400 982237730 /nfs/dbraw/zinc/23/77/30/982237730.db2.gz LIYCZJAVPNMEFA-ZJPYXAASSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754400 982237736 /nfs/dbraw/zinc/23/77/36/982237736.db2.gz LIYCZJAVPNMEFA-ZJPYXAASSA-N 2 2 362.518 1.131 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000884019437 982704057 /nfs/dbraw/zinc/70/40/57/982704057.db2.gz TZKGEXZRLTZXOH-HXUWFJFHSA-N 2 2 370.497 1.416 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000884019437 982704060 /nfs/dbraw/zinc/70/40/60/982704060.db2.gz TZKGEXZRLTZXOH-HXUWFJFHSA-N 2 2 370.497 1.416 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000884177937 982950298 /nfs/dbraw/zinc/95/02/98/982950298.db2.gz XNSCUUPZERFNSM-KYBDOYODSA-N 2 2 368.481 1.143 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000884177937 982950300 /nfs/dbraw/zinc/95/03/00/982950300.db2.gz XNSCUUPZERFNSM-KYBDOYODSA-N 2 2 368.481 1.143 20 30 FDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426494 986202520 /nfs/dbraw/zinc/20/25/20/986202520.db2.gz ZULGHJKMJMLPSQ-QGZVFWFLSA-N 2 2 353.507 1.634 20 30 FDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426494 986202536 /nfs/dbraw/zinc/20/25/36/986202536.db2.gz ZULGHJKMJMLPSQ-QGZVFWFLSA-N 2 2 353.507 1.634 20 30 FDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426494 986202545 /nfs/dbraw/zinc/20/25/45/986202545.db2.gz ZULGHJKMJMLPSQ-QGZVFWFLSA-N 2 2 353.507 1.634 20 30 FDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426494 986202554 /nfs/dbraw/zinc/20/25/54/986202554.db2.gz ZULGHJKMJMLPSQ-QGZVFWFLSA-N 2 2 353.507 1.634 20 30 FDEDLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876716782 992825316 /nfs/dbraw/zinc/82/53/16/992825316.db2.gz NCCSZKZFRRLFBW-ZRGWGRIASA-N 2 2 356.470 1.361 20 30 FDEDLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876716782 992825324 /nfs/dbraw/zinc/82/53/24/992825324.db2.gz NCCSZKZFRRLFBW-ZRGWGRIASA-N 2 2 356.470 1.361 20 30 FDEDLP C[NH+]1CCN(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000879592506 995061483 /nfs/dbraw/zinc/06/14/83/995061483.db2.gz MJADLUUXXPXITM-FQEVSTJZSA-N 2 2 367.497 1.375 20 30 FDEDLP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC000949194404 1003082339 /nfs/dbraw/zinc/08/23/39/1003082339.db2.gz UOLWCEFOYXVFLW-IAGOWNOFSA-N 2 2 356.470 1.240 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111021529 1004655974 /nfs/dbraw/zinc/65/59/74/1004655974.db2.gz XNQMFXYHUCMYNN-MANSERQUSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021529 1004655979 /nfs/dbraw/zinc/65/59/79/1004655979.db2.gz XNQMFXYHUCMYNN-MANSERQUSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021529 1004655983 /nfs/dbraw/zinc/65/59/83/1004655983.db2.gz XNQMFXYHUCMYNN-MANSERQUSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1=O ZINC000639132160 1007043222 /nfs/dbraw/zinc/04/32/22/1007043222.db2.gz GHLLZGPYMQXKKW-HXUWFJFHSA-N 2 2 373.497 1.616 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1=O ZINC000639132160 1007043236 /nfs/dbraw/zinc/04/32/36/1007043236.db2.gz GHLLZGPYMQXKKW-HXUWFJFHSA-N 2 2 373.497 1.616 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000961835439 1012911527 /nfs/dbraw/zinc/91/15/27/1012911527.db2.gz SUBLYZUDXUEEII-TYZHSBRISA-N 2 2 360.461 1.622 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000961835439 1012911528 /nfs/dbraw/zinc/91/15/28/1012911528.db2.gz SUBLYZUDXUEEII-TYZHSBRISA-N 2 2 360.461 1.622 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512288089 538970901 /nfs/dbraw/zinc/97/09/01/538970901.db2.gz YGVVPGJURQRGSZ-LAUBAEHRSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512288089 538970902 /nfs/dbraw/zinc/97/09/02/538970902.db2.gz YGVVPGJURQRGSZ-LAUBAEHRSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512288089 538970904 /nfs/dbraw/zinc/97/09/04/538970904.db2.gz YGVVPGJURQRGSZ-LAUBAEHRSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512288089 538970905 /nfs/dbraw/zinc/97/09/05/538970905.db2.gz YGVVPGJURQRGSZ-LAUBAEHRSA-N 2 2 370.497 1.985 20 30 FDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268187758 180019615 /nfs/dbraw/zinc/01/96/15/180019615.db2.gz UZFCGIQAVXAOEJ-UZLBHIALSA-N 2 2 367.497 1.868 20 30 FDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268187758 180019616 /nfs/dbraw/zinc/01/96/16/180019616.db2.gz UZFCGIQAVXAOEJ-UZLBHIALSA-N 2 2 367.497 1.868 20 30 FDEDLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)CC3)CC1 ZINC000549549207 542897821 /nfs/dbraw/zinc/89/78/21/542897821.db2.gz NBFJTHTZKWDZRJ-BBWFWOEESA-N 2 2 370.501 1.115 20 30 FDEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803132 172032670 /nfs/dbraw/zinc/03/26/70/172032670.db2.gz LKMDWPFARKPFKE-GOSISDBHSA-N 2 2 356.470 1.931 20 30 FDEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803132 172032672 /nfs/dbraw/zinc/03/26/72/172032672.db2.gz LKMDWPFARKPFKE-GOSISDBHSA-N 2 2 356.470 1.931 20 30 FDEDLP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)S1 ZINC000177209189 174114037 /nfs/dbraw/zinc/11/40/37/174114037.db2.gz RSKXPASNTHUYLB-GDBMZVCRSA-N 2 2 360.483 1.407 20 30 FDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554486724 543808543 /nfs/dbraw/zinc/80/85/43/543808543.db2.gz UEGDHABWWQEZMM-SJORKVTESA-N 2 2 369.473 1.315 20 30 FDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554486722 543808658 /nfs/dbraw/zinc/80/86/58/543808658.db2.gz UEGDHABWWQEZMM-IAGOWNOFSA-N 2 2 369.473 1.315 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](C[NH3+])C1 ZINC000557025470 544236145 /nfs/dbraw/zinc/23/61/45/544236145.db2.gz AVMQJLCVWDTSIC-INIZCTEOSA-N 2 2 366.425 1.852 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](C[NH3+])C1 ZINC000557025470 544236148 /nfs/dbraw/zinc/23/61/48/544236148.db2.gz AVMQJLCVWDTSIC-INIZCTEOSA-N 2 2 366.425 1.852 20 30 FDEDLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000369154622 260303849 /nfs/dbraw/zinc/30/38/49/260303849.db2.gz IQXHPWUZHSFNSB-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)C1 ZINC000374238467 261098209 /nfs/dbraw/zinc/09/82/09/261098209.db2.gz CSZBEWOQTYDUKN-IBGZPJMESA-N 2 2 358.486 1.405 20 30 FDEDLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)C1 ZINC000374238467 261098211 /nfs/dbraw/zinc/09/82/11/261098211.db2.gz CSZBEWOQTYDUKN-IBGZPJMESA-N 2 2 358.486 1.405 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000076980875 523224571 /nfs/dbraw/zinc/22/45/71/523224571.db2.gz WTGQHNWURMGZBZ-FQEVSTJZSA-N 2 2 367.497 1.870 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000076980875 523224578 /nfs/dbraw/zinc/22/45/78/523224578.db2.gz WTGQHNWURMGZBZ-FQEVSTJZSA-N 2 2 367.497 1.870 20 30 FDEDLP C=C(C)COCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000135002350 524103653 /nfs/dbraw/zinc/10/36/53/524103653.db2.gz ZXIMQDHTALIYMV-UHFFFAOYSA-N 2 2 352.523 1.829 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000091621995 524742467 /nfs/dbraw/zinc/74/24/67/524742467.db2.gz JIXAPYDFJOFSGI-IRXDYDNUSA-N 2 2 358.490 1.281 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000091621995 524742471 /nfs/dbraw/zinc/74/24/71/524742471.db2.gz JIXAPYDFJOFSGI-IRXDYDNUSA-N 2 2 358.490 1.281 20 30 FDEDLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000164757533 525529008 /nfs/dbraw/zinc/52/90/08/525529008.db2.gz CXLQSRSKHUNEMB-OLMNPRSZSA-N 2 2 363.421 1.970 20 30 FDEDLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000164757533 525529018 /nfs/dbraw/zinc/52/90/18/525529018.db2.gz CXLQSRSKHUNEMB-OLMNPRSZSA-N 2 2 363.421 1.970 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154545495 525568636 /nfs/dbraw/zinc/56/86/36/525568636.db2.gz FZFDTOYDNCQPDD-QRVBRYPASA-N 2 2 363.550 1.485 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154545495 525568648 /nfs/dbraw/zinc/56/86/48/525568648.db2.gz FZFDTOYDNCQPDD-QRVBRYPASA-N 2 2 363.550 1.485 20 30 FDEDLP COc1ccc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000131464853 525862063 /nfs/dbraw/zinc/86/20/63/525862063.db2.gz FYIHFVZGNFLEQT-UHFFFAOYSA-N 2 2 370.453 1.884 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000107369347 525877101 /nfs/dbraw/zinc/87/71/01/525877101.db2.gz GWWKBAYOKOUQGD-WMZOPIPTSA-N 2 2 355.486 1.597 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000107369347 525877106 /nfs/dbraw/zinc/87/71/06/525877106.db2.gz GWWKBAYOKOUQGD-WMZOPIPTSA-N 2 2 355.486 1.597 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247047911 537074020 /nfs/dbraw/zinc/07/40/20/537074020.db2.gz SKRXEXRXXUGPGC-YESZJQIVSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247047911 537074024 /nfs/dbraw/zinc/07/40/24/537074024.db2.gz SKRXEXRXXUGPGC-YESZJQIVSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247047911 537074027 /nfs/dbraw/zinc/07/40/27/537074027.db2.gz SKRXEXRXXUGPGC-YESZJQIVSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247047911 537074031 /nfs/dbraw/zinc/07/40/31/537074031.db2.gz SKRXEXRXXUGPGC-YESZJQIVSA-N 2 2 350.507 1.973 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193586693 537251719 /nfs/dbraw/zinc/25/17/19/537251719.db2.gz UTDQNMMKGVLHNT-QGZVFWFLSA-N 2 2 373.501 1.352 20 30 FDEDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)c(F)c1 ZINC000271916835 537508530 /nfs/dbraw/zinc/50/85/30/537508530.db2.gz CSIZSNUFEOURNK-PBHICJAKSA-N 2 2 360.433 1.281 20 30 FDEDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCOc3cccc(C#N)c3)CC2)C1 ZINC000375795530 537771344 /nfs/dbraw/zinc/77/13/44/537771344.db2.gz MQNBJJPPNYRBHP-FQEVSTJZSA-N 2 2 358.486 1.275 20 30 FDEDLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCOc3cccc(C#N)c3)CC2)C1 ZINC000375795530 537771347 /nfs/dbraw/zinc/77/13/47/537771347.db2.gz MQNBJJPPNYRBHP-FQEVSTJZSA-N 2 2 358.486 1.275 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366680202 537821695 /nfs/dbraw/zinc/82/16/95/537821695.db2.gz QJIYTFWTUPBYPA-UHOSZYNNSA-N 2 2 364.534 1.778 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366680202 537821702 /nfs/dbraw/zinc/82/17/02/537821702.db2.gz QJIYTFWTUPBYPA-UHOSZYNNSA-N 2 2 364.534 1.778 20 30 FDEDLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1C#N ZINC000560497223 545524119 /nfs/dbraw/zinc/52/41/19/545524119.db2.gz PMGBCSNGEMJJHJ-JWTNVVGKSA-N 2 2 353.470 1.645 20 30 FDEDLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncc1C#N ZINC000560497223 545524123 /nfs/dbraw/zinc/52/41/23/545524123.db2.gz PMGBCSNGEMJJHJ-JWTNVVGKSA-N 2 2 353.470 1.645 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cn3c([nH+]2)CCCC3)nc1 ZINC000564844775 547063848 /nfs/dbraw/zinc/06/38/48/547063848.db2.gz OFDQLCKXTQFXCM-UHFFFAOYSA-N 2 2 359.455 1.092 20 30 FDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000564863614 547072136 /nfs/dbraw/zinc/07/21/36/547072136.db2.gz MKNMVSLUAJLFTJ-IBGZPJMESA-N 2 2 362.543 1.896 20 30 FDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000564863614 547072140 /nfs/dbraw/zinc/07/21/40/547072140.db2.gz MKNMVSLUAJLFTJ-IBGZPJMESA-N 2 2 362.543 1.896 20 30 FDEDLP C[NH+]1CCC(C#N)(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000577465340 550658492 /nfs/dbraw/zinc/65/84/92/550658492.db2.gz FIFLBVJZXPNCGV-UHFFFAOYSA-N 2 2 354.370 1.498 20 30 FDEDLP C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C[NH+]1CCCCC1 ZINC000579343726 550862964 /nfs/dbraw/zinc/86/29/64/550862964.db2.gz JVXAEQMJNPCBLO-HNNXBMFYSA-N 2 2 350.488 1.439 20 30 FDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930614 551033489 /nfs/dbraw/zinc/03/34/89/551033489.db2.gz QSKDFFNUTXVANL-APWZRJJASA-N 2 2 359.470 1.483 20 30 FDEDLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592145890 551949026 /nfs/dbraw/zinc/94/90/26/551949026.db2.gz ASKKHYUBMFFZFB-NRFANRHFSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592145890 551949027 /nfs/dbraw/zinc/94/90/27/551949027.db2.gz ASKKHYUBMFFZFB-NRFANRHFSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592145890 551949029 /nfs/dbraw/zinc/94/90/29/551949029.db2.gz ASKKHYUBMFFZFB-NRFANRHFSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592145890 551949031 /nfs/dbraw/zinc/94/90/31/551949031.db2.gz ASKKHYUBMFFZFB-NRFANRHFSA-N 2 2 370.497 1.380 20 30 FDEDLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441032 552310983 /nfs/dbraw/zinc/31/09/83/552310983.db2.gz LJVSCILDEGMAJZ-INIZCTEOSA-N 2 2 357.458 1.424 20 30 FDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000594440934 552311130 /nfs/dbraw/zinc/31/11/30/552311130.db2.gz JNFQNMAFTBZOEE-GOSISDBHSA-N 2 2 371.485 1.617 20 30 FDEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c[nH+]2)C[C@H](C)O1 ZINC000594440943 552311169 /nfs/dbraw/zinc/31/11/69/552311169.db2.gz JPVZQXOUIUPCGG-UXLLHSPISA-N 2 2 359.474 1.723 20 30 FDEDLP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]2CCOCC2)cc1 ZINC000594440917 552311328 /nfs/dbraw/zinc/31/13/28/552311328.db2.gz JFYLOYLWVOJGBL-RTBURBONSA-N 2 2 358.486 1.896 20 30 FDEDLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc1F ZINC000594445806 552312152 /nfs/dbraw/zinc/31/21/52/552312152.db2.gz MJQUZMRAYYDWEX-KRWDZBQOSA-N 2 2 362.449 1.890 20 30 FDEDLP Cn1ncc2c1nc(N)[nH+]c2NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594587000 552337960 /nfs/dbraw/zinc/33/79/60/552337960.db2.gz PZGYNHPVDNOOBM-UHFFFAOYSA-N 2 2 362.441 1.894 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904189 552631194 /nfs/dbraw/zinc/63/11/94/552631194.db2.gz ACZJMOKWQFGQPI-IRXDYDNUSA-N 2 2 350.507 1.760 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904189 552631195 /nfs/dbraw/zinc/63/11/95/552631195.db2.gz ACZJMOKWQFGQPI-IRXDYDNUSA-N 2 2 350.507 1.760 20 30 FDEDLP N#Cc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000596047319 552649591 /nfs/dbraw/zinc/64/95/91/552649591.db2.gz PKFJHPIFNPCCNN-MOPGFXCFSA-N 2 2 354.454 1.506 20 30 FDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598607236 552914786 /nfs/dbraw/zinc/91/47/86/552914786.db2.gz LXZYJJMIJLKXTK-HRCADAONSA-N 2 2 351.470 1.565 20 30 FDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598607236 552914787 /nfs/dbraw/zinc/91/47/87/552914787.db2.gz LXZYJJMIJLKXTK-HRCADAONSA-N 2 2 351.470 1.565 20 30 FDEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602850154 553650811 /nfs/dbraw/zinc/65/08/11/553650811.db2.gz PEPCFPXWNQLKEG-KZNAEPCWSA-N 2 2 370.501 1.037 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC000602913040 553667541 /nfs/dbraw/zinc/66/75/41/553667541.db2.gz QQRUJFKDHIIEGC-INIZCTEOSA-N 2 2 355.486 1.685 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000608520260 554280859 /nfs/dbraw/zinc/28/08/59/554280859.db2.gz LTGLUGNFYFPWOF-UHFFFAOYSA-N 2 2 369.469 1.977 20 30 FDEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000609417785 554375870 /nfs/dbraw/zinc/37/58/70/554375870.db2.gz YBEYIAVMZIKWPO-UHFFFAOYSA-N 2 2 371.529 1.498 20 30 FDEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000609417785 554375873 /nfs/dbraw/zinc/37/58/73/554375873.db2.gz YBEYIAVMZIKWPO-UHFFFAOYSA-N 2 2 371.529 1.498 20 30 FDEDLP CC[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951530 672700649 /nfs/dbraw/zinc/70/06/49/672700649.db2.gz HNKLEXONNZDCHI-UHFFFAOYSA-N 2 2 358.552 1.335 20 30 FDEDLP CC[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951530 672700651 /nfs/dbraw/zinc/70/06/51/672700651.db2.gz HNKLEXONNZDCHI-UHFFFAOYSA-N 2 2 358.552 1.335 20 30 FDEDLP C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261996315 672708353 /nfs/dbraw/zinc/70/83/53/672708353.db2.gz SMMVPADNRZYDDY-LSDHHAIUSA-N 2 2 369.535 1.555 20 30 FDEDLP C[NH+](C)CCC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290372717 676200396 /nfs/dbraw/zinc/20/03/96/676200396.db2.gz RIULZZKCFLAWFD-UHFFFAOYSA-N 2 2 350.488 1.391 20 30 FDEDLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000329161858 676623259 /nfs/dbraw/zinc/62/32/59/676623259.db2.gz FMTLZRGSVORLPT-CVEARBPZSA-N 2 2 364.515 1.737 20 30 FDEDLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCOC1 ZINC000329389603 676636726 /nfs/dbraw/zinc/63/67/26/676636726.db2.gz RYBPXKGDSGOJCA-JKSUJKDBSA-N 2 2 352.523 1.864 20 30 FDEDLP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2 ZINC001164687530 719735377 /nfs/dbraw/zinc/73/53/77/719735377.db2.gz ZBEHASABZNOQJF-UHFFFAOYSA-N 2 2 352.442 1.615 20 30 FDEDLP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2 ZINC001164687530 719735383 /nfs/dbraw/zinc/73/53/83/719735383.db2.gz ZBEHASABZNOQJF-UHFFFAOYSA-N 2 2 352.442 1.615 20 30 FDEDLP Cn1cc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C#N ZINC000276724482 779157466 /nfs/dbraw/zinc/15/74/66/779157466.db2.gz BTDZMNDROYVHKM-UHFFFAOYSA-N 2 2 351.454 1.574 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[N@H+](C)C1 ZINC000328960314 779567468 /nfs/dbraw/zinc/56/74/68/779567468.db2.gz QFTXGKFUOMVTLY-ROUUACIJSA-N 2 2 374.485 1.250 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[N@@H+](C)C1 ZINC000328960314 779567474 /nfs/dbraw/zinc/56/74/74/779567474.db2.gz QFTXGKFUOMVTLY-ROUUACIJSA-N 2 2 374.485 1.250 20 30 FDEDLP C=CCCn1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)nn1 ZINC000657285353 781451478 /nfs/dbraw/zinc/45/14/78/781451478.db2.gz AASDNCCOJYPSST-QGZVFWFLSA-N 2 2 360.531 1.994 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC#C[C@H]3CCCCO3)CC2)CC1 ZINC000892522078 786726787 /nfs/dbraw/zinc/72/67/87/786726787.db2.gz OTQWTHQFSOLBSE-LJQANCHMSA-N 2 2 362.518 1.417 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000378299903 793912737 /nfs/dbraw/zinc/91/27/37/793912737.db2.gz SVEDFASCLAMIIO-GOSISDBHSA-N 2 2 361.534 1.288 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000378299903 793912739 /nfs/dbraw/zinc/91/27/39/793912739.db2.gz SVEDFASCLAMIIO-GOSISDBHSA-N 2 2 361.534 1.288 20 30 FDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211696262 807174031 /nfs/dbraw/zinc/17/40/31/807174031.db2.gz CUPWILAMPFIQGJ-ZWKOTPCHSA-N 2 2 354.454 1.739 20 30 FDEDLP C=C[C@](C)(CC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000442951258 821336723 /nfs/dbraw/zinc/33/67/23/821336723.db2.gz GVSCKUPYZJASKC-HXUWFJFHSA-N 2 2 364.534 1.286 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncccc2C)[C@@H]1CC ZINC001087607145 821714421 /nfs/dbraw/zinc/71/44/21/821714421.db2.gz NPCVCVFNQQRWBZ-SXLOBPIMSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncccc2C)[C@@H]1CC ZINC001087607145 821714424 /nfs/dbraw/zinc/71/44/24/821714424.db2.gz NPCVCVFNQQRWBZ-SXLOBPIMSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ncccc2C)[C@@H]1CC ZINC001087607145 821714430 /nfs/dbraw/zinc/71/44/30/821714430.db2.gz NPCVCVFNQQRWBZ-SXLOBPIMSA-N 2 2 354.498 1.957 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ncccc2C)[C@@H]1CC ZINC001087607145 821714435 /nfs/dbraw/zinc/71/44/35/821714435.db2.gz NPCVCVFNQQRWBZ-SXLOBPIMSA-N 2 2 354.498 1.957 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087836685 822546752 /nfs/dbraw/zinc/54/67/52/822546752.db2.gz DKTZGIOCNUNARJ-PWRODBHTSA-N 2 2 369.509 1.728 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087836685 822546754 /nfs/dbraw/zinc/54/67/54/822546754.db2.gz DKTZGIOCNUNARJ-PWRODBHTSA-N 2 2 369.509 1.728 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CC#Cc1ccccc1 ZINC001087836685 822546758 /nfs/dbraw/zinc/54/67/58/822546758.db2.gz DKTZGIOCNUNARJ-PWRODBHTSA-N 2 2 369.509 1.728 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CC#Cc1ccccc1 ZINC001087836685 822546761 /nfs/dbraw/zinc/54/67/61/822546761.db2.gz DKTZGIOCNUNARJ-PWRODBHTSA-N 2 2 369.509 1.728 20 30 FDEDLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CCC(=O)N1C1CC1 ZINC000329343861 824747843 /nfs/dbraw/zinc/74/78/43/824747843.db2.gz QICVAPBUJDLOQB-HDMKZQKVSA-N 2 2 374.489 1.165 20 30 FDEDLP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000330256595 825769652 /nfs/dbraw/zinc/76/96/52/825769652.db2.gz KUHJIPDFFPMCEY-IXDOHACOSA-N 2 2 368.522 1.195 20 30 FDEDLP C[C@H]([C@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000330256595 825769656 /nfs/dbraw/zinc/76/96/56/825769656.db2.gz KUHJIPDFFPMCEY-IXDOHACOSA-N 2 2 368.522 1.195 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080637 826155712 /nfs/dbraw/zinc/15/57/12/826155712.db2.gz GSRZAQHLWKZYKM-IXDOHACOSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080637 826155713 /nfs/dbraw/zinc/15/57/13/826155713.db2.gz GSRZAQHLWKZYKM-IXDOHACOSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080637 826155715 /nfs/dbraw/zinc/15/57/15/826155715.db2.gz GSRZAQHLWKZYKM-IXDOHACOSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080637 826155716 /nfs/dbraw/zinc/15/57/16/826155716.db2.gz GSRZAQHLWKZYKM-IXDOHACOSA-N 2 2 355.910 1.628 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)cc1F ZINC001088121068 826498389 /nfs/dbraw/zinc/49/83/89/826498389.db2.gz MUOMTFBNOJFFKE-SJORKVTESA-N 2 2 367.428 1.943 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)cc1F ZINC001088121068 826498396 /nfs/dbraw/zinc/49/83/96/826498396.db2.gz MUOMTFBNOJFFKE-SJORKVTESA-N 2 2 367.428 1.943 20 30 FDEDLP CN(C(=O)c1cnn(C)c1C#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000527252660 829005081 /nfs/dbraw/zinc/00/50/81/829005081.db2.gz XDNSGXFUYFSERL-ZWKOTPCHSA-N 2 2 372.517 1.701 20 30 FDEDLP CN(C(=O)c1cnn(C)c1C#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000527252660 829005087 /nfs/dbraw/zinc/00/50/87/829005087.db2.gz XDNSGXFUYFSERL-ZWKOTPCHSA-N 2 2 372.517 1.701 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637241 842271250 /nfs/dbraw/zinc/27/12/50/842271250.db2.gz LWEAXSPLDDNMIH-LFGUQSLTSA-N 2 2 358.486 1.332 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637241 842271257 /nfs/dbraw/zinc/27/12/57/842271257.db2.gz LWEAXSPLDDNMIH-LFGUQSLTSA-N 2 2 358.486 1.332 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001083468161 842413738 /nfs/dbraw/zinc/41/37/38/842413738.db2.gz KSVPBHBNJQMHJF-TVFCKZIOSA-N 2 2 358.486 1.281 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001083468161 842413742 /nfs/dbraw/zinc/41/37/42/842413742.db2.gz KSVPBHBNJQMHJF-TVFCKZIOSA-N 2 2 358.486 1.281 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105666702 843296087 /nfs/dbraw/zinc/29/60/87/843296087.db2.gz ILTYPMHQKBOYON-YKCBXCCJSA-N 2 2 360.502 1.885 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000245915583 845086634 /nfs/dbraw/zinc/08/66/34/845086634.db2.gz KUPSMAKQHVPQNI-QZTJIDSGSA-N 2 2 361.534 1.429 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000245915583 845086644 /nfs/dbraw/zinc/08/66/44/845086644.db2.gz KUPSMAKQHVPQNI-QZTJIDSGSA-N 2 2 361.534 1.429 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@@H]1O ZINC001083535433 846904451 /nfs/dbraw/zinc/90/44/51/846904451.db2.gz QAJMEFKISPNIQR-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@@H]1O ZINC001083535433 846904458 /nfs/dbraw/zinc/90/44/58/846904458.db2.gz QAJMEFKISPNIQR-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)cc(C)c2)C[C@@H]1O ZINC001083535433 846904462 /nfs/dbraw/zinc/90/44/62/846904462.db2.gz QAJMEFKISPNIQR-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cc(C)cc(C)c2)C[C@@H]1O ZINC001083535433 846904464 /nfs/dbraw/zinc/90/44/64/846904464.db2.gz QAJMEFKISPNIQR-AABGKKOBSA-N 2 2 355.482 1.062 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001076574747 848450122 /nfs/dbraw/zinc/45/01/22/848450122.db2.gz NIBQDZQEVVMXKZ-QFBILLFUSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001076574747 848450128 /nfs/dbraw/zinc/45/01/28/848450128.db2.gz NIBQDZQEVVMXKZ-QFBILLFUSA-N 2 2 367.428 1.935 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076593888 848518775 /nfs/dbraw/zinc/51/87/75/848518775.db2.gz BLUOIAYNXMIOER-PWRODBHTSA-N 2 2 367.493 1.292 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076593888 848518776 /nfs/dbraw/zinc/51/87/76/848518776.db2.gz BLUOIAYNXMIOER-PWRODBHTSA-N 2 2 367.493 1.292 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076593888 848518782 /nfs/dbraw/zinc/51/87/82/848518782.db2.gz BLUOIAYNXMIOER-PWRODBHTSA-N 2 2 367.493 1.292 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076593888 848518788 /nfs/dbraw/zinc/51/87/88/848518788.db2.gz BLUOIAYNXMIOER-PWRODBHTSA-N 2 2 367.493 1.292 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)cc1C#N ZINC001088981529 865908047 /nfs/dbraw/zinc/90/80/47/865908047.db2.gz ZJIWEIDPSBGJFM-KDOFPFPSSA-N 2 2 367.453 1.622 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)cc1C#N ZINC001088981529 865908049 /nfs/dbraw/zinc/90/80/49/865908049.db2.gz ZJIWEIDPSBGJFM-KDOFPFPSSA-N 2 2 367.453 1.622 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089040442 866230306 /nfs/dbraw/zinc/23/03/06/866230306.db2.gz SHCMAKZUKUFYFG-QAPCUYQASA-N 2 2 356.470 1.742 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089040442 866230316 /nfs/dbraw/zinc/23/03/16/866230316.db2.gz SHCMAKZUKUFYFG-QAPCUYQASA-N 2 2 356.470 1.742 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cn3)[C@@H]2C)CC1 ZINC001089060094 866390752 /nfs/dbraw/zinc/39/07/52/866390752.db2.gz SXBXHVFGHLQHOI-BEFAXECRSA-N 2 2 358.461 1.645 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cn3)[C@@H]2C)CC1 ZINC001089060094 866390761 /nfs/dbraw/zinc/39/07/61/866390761.db2.gz SXBXHVFGHLQHOI-BEFAXECRSA-N 2 2 358.461 1.645 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=C)Cl)C1 ZINC001099262699 877511437 /nfs/dbraw/zinc/51/14/37/877511437.db2.gz HISDSLQJJUESHJ-MCIONIFRSA-N 2 2 363.811 1.815 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=C)Cl)C1 ZINC001099262699 877511441 /nfs/dbraw/zinc/51/14/41/877511441.db2.gz HISDSLQJJUESHJ-MCIONIFRSA-N 2 2 363.811 1.815 20 30 FDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CC[C@@H]2C1 ZINC000946595187 879082577 /nfs/dbraw/zinc/08/25/77/879082577.db2.gz MJCUMEQOJNXFOW-YSTOQKLRSA-N 2 2 366.509 1.958 20 30 FDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CC[C@@H]2C1 ZINC000946595187 879082588 /nfs/dbraw/zinc/08/25/88/879082588.db2.gz MJCUMEQOJNXFOW-YSTOQKLRSA-N 2 2 366.509 1.958 20 30 FDEDLP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547827 887285547 /nfs/dbraw/zinc/28/55/47/887285547.db2.gz UWIZNTVOHHPLJQ-TZMCWYRMSA-N 2 2 367.291 1.768 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999995821 896540655 /nfs/dbraw/zinc/54/06/55/896540655.db2.gz HYTPXWFUDFTVRC-GVDBMIGSSA-N 2 2 369.473 1.634 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999995821 896540666 /nfs/dbraw/zinc/54/06/66/896540666.db2.gz HYTPXWFUDFTVRC-GVDBMIGSSA-N 2 2 369.473 1.634 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999995821 896540678 /nfs/dbraw/zinc/54/06/78/896540678.db2.gz HYTPXWFUDFTVRC-GVDBMIGSSA-N 2 2 369.473 1.634 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999995821 896540684 /nfs/dbraw/zinc/54/06/84/896540684.db2.gz HYTPXWFUDFTVRC-GVDBMIGSSA-N 2 2 369.473 1.634 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079138200 902017703 /nfs/dbraw/zinc/01/77/03/902017703.db2.gz SXCATONJXWSASL-VAMGGRTRSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001079138200 902017713 /nfs/dbraw/zinc/01/77/13/902017713.db2.gz SXCATONJXWSASL-VAMGGRTRSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079138200 902017725 /nfs/dbraw/zinc/01/77/25/902017725.db2.gz SXCATONJXWSASL-VAMGGRTRSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079138200 902017730 /nfs/dbraw/zinc/01/77/30/902017730.db2.gz SXCATONJXWSASL-VAMGGRTRSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cccc(F)c1 ZINC001079188489 902136884 /nfs/dbraw/zinc/13/68/84/902136884.db2.gz BEKODYDFPVIQAR-YTQUADARSA-N 2 2 366.440 1.802 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263554 902306604 /nfs/dbraw/zinc/30/66/04/902306604.db2.gz AYNSELKCPPHNKX-FGTMMUONSA-N 2 2 358.486 1.960 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1C ZINC001079878049 903600366 /nfs/dbraw/zinc/60/03/66/903600366.db2.gz CXZYJTMWHIFBEZ-LZQZEXGQSA-N 2 2 357.502 1.034 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1C ZINC001079878049 903600379 /nfs/dbraw/zinc/60/03/79/903600379.db2.gz CXZYJTMWHIFBEZ-LZQZEXGQSA-N 2 2 357.502 1.034 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1C ZINC001079878049 903600387 /nfs/dbraw/zinc/60/03/87/903600387.db2.gz CXZYJTMWHIFBEZ-LZQZEXGQSA-N 2 2 357.502 1.034 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1C ZINC001079878049 903600399 /nfs/dbraw/zinc/60/03/99/903600399.db2.gz CXZYJTMWHIFBEZ-LZQZEXGQSA-N 2 2 357.502 1.034 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081659276 904894474 /nfs/dbraw/zinc/89/44/74/904894474.db2.gz USNPPLBFBXPASA-HSALFYBXSA-N 2 2 370.497 1.746 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081659276 904894491 /nfs/dbraw/zinc/89/44/91/904894491.db2.gz USNPPLBFBXPASA-HSALFYBXSA-N 2 2 370.497 1.746 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001081659276 904894506 /nfs/dbraw/zinc/89/45/06/904894506.db2.gz USNPPLBFBXPASA-HSALFYBXSA-N 2 2 370.497 1.746 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001081659276 904894518 /nfs/dbraw/zinc/89/45/18/904894518.db2.gz USNPPLBFBXPASA-HSALFYBXSA-N 2 2 370.497 1.746 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001107541542 905456592 /nfs/dbraw/zinc/45/65/92/905456592.db2.gz CDFMDJMLZKBCGQ-HGHGUNKESA-N 2 2 370.497 1.840 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001107541542 905456603 /nfs/dbraw/zinc/45/66/03/905456603.db2.gz CDFMDJMLZKBCGQ-HGHGUNKESA-N 2 2 370.497 1.840 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018712 905576932 /nfs/dbraw/zinc/57/69/32/905576932.db2.gz PXFRIGBMXRRSNP-RTBURBONSA-N 2 2 370.497 1.748 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018712 905576943 /nfs/dbraw/zinc/57/69/43/905576943.db2.gz PXFRIGBMXRRSNP-RTBURBONSA-N 2 2 370.497 1.748 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081036057 907002145 /nfs/dbraw/zinc/00/21/45/907002145.db2.gz KMYSOTIBKYEQEW-RHSMWYFYSA-N 2 2 353.426 1.400 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081036057 907002180 /nfs/dbraw/zinc/00/21/80/907002180.db2.gz KMYSOTIBKYEQEW-RHSMWYFYSA-N 2 2 353.426 1.400 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000730096637 916116646 /nfs/dbraw/zinc/11/66/46/916116646.db2.gz QAKWCAHCHYFATQ-FQEVSTJZSA-N 2 2 355.482 1.827 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000730096637 916116651 /nfs/dbraw/zinc/11/66/51/916116651.db2.gz QAKWCAHCHYFATQ-FQEVSTJZSA-N 2 2 355.482 1.827 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000730096637 916116658 /nfs/dbraw/zinc/11/66/58/916116658.db2.gz QAKWCAHCHYFATQ-FQEVSTJZSA-N 2 2 355.482 1.827 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000730096637 916116663 /nfs/dbraw/zinc/11/66/63/916116663.db2.gz QAKWCAHCHYFATQ-FQEVSTJZSA-N 2 2 355.482 1.827 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084833324 917556552 /nfs/dbraw/zinc/55/65/52/917556552.db2.gz YNYWKOYSYAEHTB-IEBWSBKVSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084833324 917556561 /nfs/dbraw/zinc/55/65/61/917556561.db2.gz YNYWKOYSYAEHTB-IEBWSBKVSA-N 2 2 367.428 1.935 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C)no4)C[C@H]32)CC1 ZINC001084851027 917658798 /nfs/dbraw/zinc/65/87/98/917658798.db2.gz JRWBRRRDYDVSDW-IEBWSBKVSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C)no4)C[C@H]32)CC1 ZINC001084851027 917658802 /nfs/dbraw/zinc/65/88/02/917658802.db2.gz JRWBRRRDYDVSDW-IEBWSBKVSA-N 2 2 356.470 1.361 20 30 FDEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]NCCS(C)(=O)=O)CC1 ZINC000733204030 920742906 /nfs/dbraw/zinc/74/29/06/920742906.db2.gz HVMCDQLHAFHBRO-UHFFFAOYSA-N 2 2 358.895 1.060 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001085093473 920821649 /nfs/dbraw/zinc/82/16/49/920821649.db2.gz BECJGGWFSMWZDR-CABCVRRESA-N 2 2 356.308 1.914 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001085093473 920821664 /nfs/dbraw/zinc/82/16/64/920821664.db2.gz BECJGGWFSMWZDR-CABCVRRESA-N 2 2 356.308 1.914 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC001085229741 922983387 /nfs/dbraw/zinc/98/33/87/922983387.db2.gz IFMCGHZZNFOAAZ-QRVBRYPASA-N 2 2 358.461 1.835 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC001085229741 922983391 /nfs/dbraw/zinc/98/33/91/922983391.db2.gz IFMCGHZZNFOAAZ-QRVBRYPASA-N 2 2 358.461 1.835 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590151 929876992 /nfs/dbraw/zinc/87/69/92/929876992.db2.gz VALYLLCHKURKGY-YVSFHVDLSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590151 929877006 /nfs/dbraw/zinc/87/70/06/929877006.db2.gz VALYLLCHKURKGY-YVSFHVDLSA-N 2 2 362.518 1.273 20 30 FDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1cccnc1)[NH+](C)C)C2 ZINC001112586602 931777156 /nfs/dbraw/zinc/77/71/56/931777156.db2.gz IBYSXDZAGXZANO-ZJOUEHCJSA-N 2 2 354.498 1.926 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129916902 938553935 /nfs/dbraw/zinc/55/39/35/938553935.db2.gz HGDTUYCQPNGDSQ-BBWFWOEESA-N 2 2 369.473 1.045 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902504 938561292 /nfs/dbraw/zinc/56/12/92/938561292.db2.gz PBJVLILCDLRJDW-ZACQAIPSSA-N 2 2 357.462 1.290 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129918927 938567485 /nfs/dbraw/zinc/56/74/85/938567485.db2.gz MHIWSBJVHCTZOD-JQHSSLGASA-N 2 2 369.473 1.045 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001130033716 938634232 /nfs/dbraw/zinc/63/42/32/938634232.db2.gz BNXWYQZOTLCFRE-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130033716 938634235 /nfs/dbraw/zinc/63/42/35/938634235.db2.gz BNXWYQZOTLCFRE-UAGQMJEPSA-N 2 2 357.462 1.188 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130575931 939878515 /nfs/dbraw/zinc/87/85/15/939878515.db2.gz BEQWNMZQQJSCCX-DOTOQJQBSA-N 2 2 356.474 1.626 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719179 940021972 /nfs/dbraw/zinc/02/19/72/940021972.db2.gz BFMOXDYAEXPLLL-URLQWDBASA-N 2 2 370.501 1.933 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131136211 940513335 /nfs/dbraw/zinc/51/33/35/940513335.db2.gz BHBXQFINUWSKAA-IAGOWNOFSA-N 2 2 354.458 1.004 20 30 FDEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cn1 ZINC000818968119 943386008 /nfs/dbraw/zinc/38/60/08/943386008.db2.gz LIVWHTMIYYEJLM-SFHVURJKSA-N 2 2 363.421 1.977 20 30 FDEDLP COC(=O)c1ccc(C(=[NH2+])Nc2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)cc1 ZINC001170985343 944950876 /nfs/dbraw/zinc/95/08/76/944950876.db2.gz RACXSMLUNSBNGT-HNNXBMFYSA-N 2 2 364.409 1.977 20 30 FDEDLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368774 948019099 /nfs/dbraw/zinc/01/90/99/948019099.db2.gz GVSTUETUJPIVSO-LJQANCHMSA-N 2 2 356.470 1.266 20 30 FDEDLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368774 948019109 /nfs/dbraw/zinc/01/91/09/948019109.db2.gz GVSTUETUJPIVSO-LJQANCHMSA-N 2 2 356.470 1.266 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4cncc(C#N)c4)C3)O2)CC1 ZINC001144080600 948201850 /nfs/dbraw/zinc/20/18/50/948201850.db2.gz RSTGUYWPFGBTBB-NHCUHLMSSA-N 2 2 369.513 1.714 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cncc(C#N)c4)C3)O2)CC1 ZINC001144080600 948201858 /nfs/dbraw/zinc/20/18/58/948201858.db2.gz RSTGUYWPFGBTBB-NHCUHLMSSA-N 2 2 369.513 1.714 20 30 FDEDLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4cncc(C#N)c4)C3)O2)CC1 ZINC001144080600 948201867 /nfs/dbraw/zinc/20/18/67/948201867.db2.gz RSTGUYWPFGBTBB-NHCUHLMSSA-N 2 2 369.513 1.714 20 30 FDEDLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cncc(C#N)c4)C3)O2)CC1 ZINC001144080600 948201876 /nfs/dbraw/zinc/20/18/76/948201876.db2.gz RSTGUYWPFGBTBB-NHCUHLMSSA-N 2 2 369.513 1.714 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001086997674 953040900 /nfs/dbraw/zinc/04/09/00/953040900.db2.gz SAXZKOQECUBZIO-ZJPYXAASSA-N 2 2 368.485 1.417 20 30 FDEDLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087103378 953276451 /nfs/dbraw/zinc/27/64/51/953276451.db2.gz BEPQQADOEDQDEO-RTBURBONSA-N 2 2 367.453 1.408 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883722 953521427 /nfs/dbraw/zinc/52/14/27/953521427.db2.gz TWKPDAWXZUAIKI-SBHAEUEKSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883722 953521429 /nfs/dbraw/zinc/52/14/29/953521429.db2.gz TWKPDAWXZUAIKI-SBHAEUEKSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883722 953521439 /nfs/dbraw/zinc/52/14/39/953521439.db2.gz TWKPDAWXZUAIKI-SBHAEUEKSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883722 953521444 /nfs/dbraw/zinc/52/14/44/953521444.db2.gz TWKPDAWXZUAIKI-SBHAEUEKSA-N 2 2 361.530 1.844 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001092317129 954821253 /nfs/dbraw/zinc/82/12/53/954821253.db2.gz BFQDEKZQBKJUNP-XLIONFOSSA-N 2 2 367.428 1.874 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001092317129 954821259 /nfs/dbraw/zinc/82/12/59/954821259.db2.gz BFQDEKZQBKJUNP-XLIONFOSSA-N 2 2 367.428 1.874 20 30 FDEDLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C3)cc1C#N ZINC001095241098 962526844 /nfs/dbraw/zinc/52/68/44/962526844.db2.gz SHXQXOVPCMLCAH-XWSJACJDSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C3)cc1C#N ZINC001095241098 962526849 /nfs/dbraw/zinc/52/68/49/962526849.db2.gz SHXQXOVPCMLCAH-XWSJACJDSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C3)cc1C#N ZINC001095241098 962526862 /nfs/dbraw/zinc/52/68/62/962526862.db2.gz SHXQXOVPCMLCAH-XWSJACJDSA-N 2 2 368.481 1.883 20 30 FDEDLP COc1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)cc1C#N ZINC001095241098 962526870 /nfs/dbraw/zinc/52/68/70/962526870.db2.gz SHXQXOVPCMLCAH-XWSJACJDSA-N 2 2 368.481 1.883 20 30 FDEDLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001187971231 965933591 /nfs/dbraw/zinc/93/35/91/965933591.db2.gz FYTHCQIDMHZCRG-FGTMMUONSA-N 2 2 358.486 1.579 20 30 FDEDLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001187971231 965933593 /nfs/dbraw/zinc/93/35/93/965933593.db2.gz FYTHCQIDMHZCRG-FGTMMUONSA-N 2 2 358.486 1.579 20 30 FDEDLP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190230045 967645632 /nfs/dbraw/zinc/64/56/32/967645632.db2.gz RMUKKTYOZYVUMQ-GUDVDZBRSA-N 2 2 370.497 1.336 20 30 FDEDLP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190230045 967645638 /nfs/dbraw/zinc/64/56/38/967645638.db2.gz RMUKKTYOZYVUMQ-GUDVDZBRSA-N 2 2 370.497 1.336 20 30 FDEDLP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852869710 967676041 /nfs/dbraw/zinc/67/60/41/967676041.db2.gz DYKGBXCRCLMTHA-PXNSSMCTSA-N 2 2 355.482 1.395 20 30 FDEDLP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852869710 967676047 /nfs/dbraw/zinc/67/60/47/967676047.db2.gz DYKGBXCRCLMTHA-PXNSSMCTSA-N 2 2 355.482 1.395 20 30 FDEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCO1 ZINC000775795203 972534570 /nfs/dbraw/zinc/53/45/70/972534570.db2.gz VCXKOOQATMYHER-PMACEKPBSA-N 2 2 355.482 1.410 20 30 FDEDLP C=C(C)C(=O)NCCCNC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198031390 972709879 /nfs/dbraw/zinc/70/98/79/972709879.db2.gz TTZYILBVDHDJHX-UHFFFAOYSA-N 2 2 374.529 1.882 20 30 FDEDLP C=C(C)C(=O)NCCCNC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198031390 972709891 /nfs/dbraw/zinc/70/98/91/972709891.db2.gz TTZYILBVDHDJHX-UHFFFAOYSA-N 2 2 374.529 1.882 20 30 FDEDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)CC3(C#N)CC3)CC2)cc1 ZINC000863546671 973001433 /nfs/dbraw/zinc/00/14/33/973001433.db2.gz DPFHRICDRDYPMO-IBGZPJMESA-N 2 2 372.513 1.852 20 30 FDEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@@H]3CCC[N@H+]3C)n[nH]1)C2 ZINC001110579660 975287901 /nfs/dbraw/zinc/28/79/01/975287901.db2.gz FEPXYLAILDZAFO-LTDCPUDJSA-N 2 2 373.501 1.714 20 30 FDEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@@H]3CCC[N@@H+]3C)n[nH]1)C2 ZINC001110579660 975287907 /nfs/dbraw/zinc/28/79/07/975287907.db2.gz FEPXYLAILDZAFO-LTDCPUDJSA-N 2 2 373.501 1.714 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@@H]3CCC[NH+]3C)n[nH]1)C2 ZINC001110579660 975287912 /nfs/dbraw/zinc/28/79/12/975287912.db2.gz FEPXYLAILDZAFO-LTDCPUDJSA-N 2 2 373.501 1.714 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@@H]3CCC[NH+]3C)n[nH]1)C2 ZINC001110579660 975287916 /nfs/dbraw/zinc/28/79/16/975287916.db2.gz FEPXYLAILDZAFO-LTDCPUDJSA-N 2 2 373.501 1.714 20 30 FDEDLP C=CCC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCO1 ZINC000883205218 982013214 /nfs/dbraw/zinc/01/32/14/982013214.db2.gz RKKXONKTMZAJQM-OKZBNKHCSA-N 2 2 351.491 1.023 20 30 FDEDLP C#CC[C@H](COC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000859033311 982469253 /nfs/dbraw/zinc/46/92/53/982469253.db2.gz ZXMIIMMWCPXEMP-QGZVFWFLSA-N 2 2 350.507 1.274 20 30 FDEDLP C#CC[C@@H](COC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000859033310 982469440 /nfs/dbraw/zinc/46/94/40/982469440.db2.gz ZXMIIMMWCPXEMP-KRWDZBQOSA-N 2 2 350.507 1.274 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000884053110 982770194 /nfs/dbraw/zinc/77/01/94/982770194.db2.gz LYZSGAHCPUOBIN-INIZCTEOSA-N 2 2 351.491 1.738 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000884074444 982822684 /nfs/dbraw/zinc/82/26/84/982822684.db2.gz QBCDDJCOXJHEHN-QGZVFWFLSA-N 2 2 352.442 1.473 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000884074444 982822699 /nfs/dbraw/zinc/82/26/99/982822699.db2.gz QBCDDJCOXJHEHN-QGZVFWFLSA-N 2 2 352.442 1.473 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000884185675 982961065 /nfs/dbraw/zinc/96/10/65/982961065.db2.gz CSPXJZNSRCALNC-APWZRJJASA-N 2 2 373.497 1.981 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000884185675 982961069 /nfs/dbraw/zinc/96/10/69/982961069.db2.gz CSPXJZNSRCALNC-APWZRJJASA-N 2 2 373.497 1.981 20 30 FDEDLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884236341 983013714 /nfs/dbraw/zinc/01/37/14/983013714.db2.gz SCFLJUFVSSRMLE-DGZYCVBISA-N 2 2 353.470 1.426 20 30 FDEDLP C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000886408422 986168736 /nfs/dbraw/zinc/16/87/36/986168736.db2.gz GSWBZZBATXIJLO-UHFFFAOYSA-N 2 2 361.511 1.441 20 30 FDEDLP C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000886408422 986168737 /nfs/dbraw/zinc/16/87/37/986168737.db2.gz GSWBZZBATXIJLO-UHFFFAOYSA-N 2 2 361.511 1.441 20 30 FDEDLP C=CCC1(O)CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000886764555 986566658 /nfs/dbraw/zinc/56/66/58/986566658.db2.gz WGORZBKIKRRRMQ-UHFFFAOYSA-N 2 2 358.486 1.523 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876713833 992819438 /nfs/dbraw/zinc/81/94/38/992819438.db2.gz UJCJXBAFAZQWMR-IEBWSBKVSA-N 2 2 356.470 1.218 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876713833 992819464 /nfs/dbraw/zinc/81/94/64/992819464.db2.gz UJCJXBAFAZQWMR-IEBWSBKVSA-N 2 2 356.470 1.218 20 30 FDEDLP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000877637887 993398415 /nfs/dbraw/zinc/39/84/15/993398415.db2.gz OFKHCWGTSTZHSW-OAQYLSRUSA-N 2 2 358.482 1.916 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccccc1 ZINC001095556381 993441819 /nfs/dbraw/zinc/44/18/19/993441819.db2.gz OSNDRDDKAIBPQP-HZEGPAAWSA-N 2 2 367.493 1.885 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOc1ccccc1 ZINC001095556381 993441848 /nfs/dbraw/zinc/44/18/48/993441848.db2.gz OSNDRDDKAIBPQP-HZEGPAAWSA-N 2 2 367.493 1.885 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOc1ccccc1 ZINC001095556381 993441863 /nfs/dbraw/zinc/44/18/63/993441863.db2.gz OSNDRDDKAIBPQP-HZEGPAAWSA-N 2 2 367.493 1.885 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOc1ccccc1 ZINC001095556381 993441885 /nfs/dbraw/zinc/44/18/85/993441885.db2.gz OSNDRDDKAIBPQP-HZEGPAAWSA-N 2 2 367.493 1.885 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000264372853 997485940 /nfs/dbraw/zinc/48/59/40/997485940.db2.gz GWZFHMNFHVXDPN-FQEVSTJZSA-N 2 2 372.513 1.837 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000264372853 997485945 /nfs/dbraw/zinc/48/59/45/997485945.db2.gz GWZFHMNFHVXDPN-FQEVSTJZSA-N 2 2 372.513 1.837 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000264397842 997494230 /nfs/dbraw/zinc/49/42/30/997494230.db2.gz LOABVXDNCKRABQ-RBUKOAKNSA-N 2 2 365.566 1.620 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000264397843 997494704 /nfs/dbraw/zinc/49/47/04/997494704.db2.gz LOABVXDNCKRABQ-RTBURBONSA-N 2 2 365.566 1.620 20 30 FDEDLP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000948929683 1002835804 /nfs/dbraw/zinc/83/58/04/1002835804.db2.gz OZEQMWWCHGJPHU-NSISKUIASA-N 2 2 357.498 1.997 20 30 FDEDLP C=C(C)C[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000948929683 1002835821 /nfs/dbraw/zinc/83/58/21/1002835821.db2.gz OZEQMWWCHGJPHU-NSISKUIASA-N 2 2 357.498 1.997 20 30 FDEDLP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929683 1002835838 /nfs/dbraw/zinc/83/58/38/1002835838.db2.gz OZEQMWWCHGJPHU-NSISKUIASA-N 2 2 357.498 1.997 20 30 FDEDLP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929683 1002835854 /nfs/dbraw/zinc/83/58/54/1002835854.db2.gz OZEQMWWCHGJPHU-NSISKUIASA-N 2 2 357.498 1.997 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857844 1003593745 /nfs/dbraw/zinc/59/37/45/1003593745.db2.gz HNNDUWZABFSTRI-FGTMMUONSA-N 2 2 357.498 1.866 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857844 1003593756 /nfs/dbraw/zinc/59/37/56/1003593756.db2.gz HNNDUWZABFSTRI-FGTMMUONSA-N 2 2 357.498 1.866 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857844 1003593769 /nfs/dbraw/zinc/59/37/69/1003593769.db2.gz HNNDUWZABFSTRI-FGTMMUONSA-N 2 2 357.498 1.866 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857844 1003593782 /nfs/dbraw/zinc/59/37/82/1003593782.db2.gz HNNDUWZABFSTRI-FGTMMUONSA-N 2 2 357.498 1.866 20 30 FDEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000303771676 1009575016 /nfs/dbraw/zinc/57/50/16/1009575016.db2.gz CVCQIBDYVDISJN-QGZVFWFLSA-N 2 2 363.506 1.702 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245442989 178359266 /nfs/dbraw/zinc/35/92/66/178359266.db2.gz WSZKQWGBBHFNQH-PKOBYXMFSA-N 2 2 369.513 1.987 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245442989 178359269 /nfs/dbraw/zinc/35/92/69/178359269.db2.gz WSZKQWGBBHFNQH-PKOBYXMFSA-N 2 2 369.513 1.987 20 30 FDEDLP C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528507888 539763530 /nfs/dbraw/zinc/76/35/30/539763530.db2.gz VOAPLRFJDZGIQT-SJPCQFCGSA-N 2 2 351.450 1.843 20 30 FDEDLP C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528507888 539763533 /nfs/dbraw/zinc/76/35/33/539763533.db2.gz VOAPLRFJDZGIQT-SJPCQFCGSA-N 2 2 351.450 1.843 20 30 FDEDLP C[NH+](CC#CCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000528507888 539763536 /nfs/dbraw/zinc/76/35/36/539763536.db2.gz VOAPLRFJDZGIQT-SJPCQFCGSA-N 2 2 351.450 1.843 20 30 FDEDLP C[NH+](CC#CCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000528507888 539763539 /nfs/dbraw/zinc/76/35/39/539763539.db2.gz VOAPLRFJDZGIQT-SJPCQFCGSA-N 2 2 351.450 1.843 20 30 FDEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512725 539764789 /nfs/dbraw/zinc/76/47/89/539764789.db2.gz MXJHKOAHMCCNNN-OAQYLSRUSA-N 2 2 351.450 1.704 20 30 FDEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512725 539764794 /nfs/dbraw/zinc/76/47/94/539764794.db2.gz MXJHKOAHMCCNNN-OAQYLSRUSA-N 2 2 351.450 1.704 20 30 FDEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512725 539764796 /nfs/dbraw/zinc/76/47/96/539764796.db2.gz MXJHKOAHMCCNNN-OAQYLSRUSA-N 2 2 351.450 1.704 20 30 FDEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512725 539764801 /nfs/dbraw/zinc/76/48/01/539764801.db2.gz MXJHKOAHMCCNNN-OAQYLSRUSA-N 2 2 351.450 1.704 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3COC[C@H]3n3ccnn3)CC2)cc1 ZINC000284848465 182632229 /nfs/dbraw/zinc/63/22/29/182632229.db2.gz QHMRETPQFUQICH-RBUKOAKNSA-N 2 2 352.442 1.344 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C(C)C ZINC000551217318 543253659 /nfs/dbraw/zinc/25/36/59/543253659.db2.gz LQGQTUIHEZQCBM-GOSISDBHSA-N 2 2 362.518 1.108 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000555024023 543903101 /nfs/dbraw/zinc/90/31/01/543903101.db2.gz PLAUESONSCJKHU-QGZVFWFLSA-N 2 2 361.490 1.250 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000555024023 543903103 /nfs/dbraw/zinc/90/31/03/543903103.db2.gz PLAUESONSCJKHU-QGZVFWFLSA-N 2 2 361.490 1.250 20 30 FDEDLP CN(C(=O)NCCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374195724 261092071 /nfs/dbraw/zinc/09/20/71/261092071.db2.gz XPGCFKFXTCQYJW-HXUWFJFHSA-N 2 2 369.513 1.911 20 30 FDEDLP CN(C(=O)NCCc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374195724 261092072 /nfs/dbraw/zinc/09/20/72/261092072.db2.gz XPGCFKFXTCQYJW-HXUWFJFHSA-N 2 2 369.513 1.911 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000072553841 522319110 /nfs/dbraw/zinc/31/91/10/522319110.db2.gz DCAHEAXDVHOGDW-GOSISDBHSA-N 2 2 369.513 1.228 20 30 FDEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047028132 522426559 /nfs/dbraw/zinc/42/65/59/522426559.db2.gz VONRKVSFLOJENK-INIZCTEOSA-N 2 2 354.458 1.917 20 30 FDEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110663371 524118020 /nfs/dbraw/zinc/11/80/20/524118020.db2.gz LEXXQGUVJQFTJN-UHFFFAOYSA-N 2 2 358.486 1.826 20 30 FDEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000083170533 524243123 /nfs/dbraw/zinc/24/31/23/524243123.db2.gz WXJLBDUCTANCDM-KRWDZBQOSA-N 2 2 374.510 1.769 20 30 FDEDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123473558 524759121 /nfs/dbraw/zinc/75/91/21/524759121.db2.gz YYOJPGOMFXTGIP-UHFFFAOYSA-N 2 2 361.453 1.643 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000161866061 525180878 /nfs/dbraw/zinc/18/08/78/525180878.db2.gz GTXUEOVVHRUOLO-MRXNPFEDSA-N 2 2 361.515 1.660 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000161866061 525180884 /nfs/dbraw/zinc/18/08/84/525180884.db2.gz GTXUEOVVHRUOLO-MRXNPFEDSA-N 2 2 361.515 1.660 20 30 FDEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000104154312 525397478 /nfs/dbraw/zinc/39/74/78/525397478.db2.gz LIEXVOBHZARONA-QGZVFWFLSA-N 2 2 363.506 1.304 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000170904878 525762539 /nfs/dbraw/zinc/76/25/39/525762539.db2.gz WIQOYXPYRVZTFO-AWEZNQCLSA-N 2 2 372.922 1.502 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000170904878 525762546 /nfs/dbraw/zinc/76/25/46/525762546.db2.gz WIQOYXPYRVZTFO-AWEZNQCLSA-N 2 2 372.922 1.502 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266612790 536909436 /nfs/dbraw/zinc/90/94/36/536909436.db2.gz INCBSRRBPDGNIT-SJLPKXTDSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266612790 536909438 /nfs/dbraw/zinc/90/94/38/536909438.db2.gz INCBSRRBPDGNIT-SJLPKXTDSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266612790 536909442 /nfs/dbraw/zinc/90/94/42/536909442.db2.gz INCBSRRBPDGNIT-SJLPKXTDSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266612790 536909445 /nfs/dbraw/zinc/90/94/45/536909445.db2.gz INCBSRRBPDGNIT-SJLPKXTDSA-N 2 2 358.486 1.841 20 30 FDEDLP C#Cc1cccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000188957711 536977039 /nfs/dbraw/zinc/97/70/39/536977039.db2.gz FILIUIKQCBCCFV-UHFFFAOYSA-N 2 2 356.470 1.091 20 30 FDEDLP C#Cc1cccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000188957711 536977041 /nfs/dbraw/zinc/97/70/41/536977041.db2.gz FILIUIKQCBCCFV-UHFFFAOYSA-N 2 2 356.470 1.091 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247047890 537074318 /nfs/dbraw/zinc/07/43/18/537074318.db2.gz SKRXEXRXXUGPGC-IXDOHACOSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247047890 537074320 /nfs/dbraw/zinc/07/43/20/537074320.db2.gz SKRXEXRXXUGPGC-IXDOHACOSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247047890 537074322 /nfs/dbraw/zinc/07/43/22/537074322.db2.gz SKRXEXRXXUGPGC-IXDOHACOSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247047890 537074325 /nfs/dbraw/zinc/07/43/25/537074325.db2.gz SKRXEXRXXUGPGC-IXDOHACOSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248004062 537162019 /nfs/dbraw/zinc/16/20/19/537162019.db2.gz KQNIOSPFQIYYCP-OALUTQOASA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248004062 537162022 /nfs/dbraw/zinc/16/20/22/537162022.db2.gz KQNIOSPFQIYYCP-OALUTQOASA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248004062 537162025 /nfs/dbraw/zinc/16/20/25/537162025.db2.gz KQNIOSPFQIYYCP-OALUTQOASA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248004062 537162028 /nfs/dbraw/zinc/16/20/28/537162028.db2.gz KQNIOSPFQIYYCP-OALUTQOASA-N 2 2 370.497 1.985 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330027847 537650421 /nfs/dbraw/zinc/65/04/21/537650421.db2.gz NQYOUKKQRWJZMF-TZMCWYRMSA-N 2 2 360.462 1.636 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330027846 537650646 /nfs/dbraw/zinc/65/06/46/537650646.db2.gz NQYOUKKQRWJZMF-OCCSQVGLSA-N 2 2 360.462 1.636 20 30 FDEDLP C=CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410899916 538008823 /nfs/dbraw/zinc/00/88/23/538008823.db2.gz OFXSNOKDESFUTC-ROUUACIJSA-N 2 2 364.534 1.426 20 30 FDEDLP C=CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410899916 538008829 /nfs/dbraw/zinc/00/88/29/538008829.db2.gz OFXSNOKDESFUTC-ROUUACIJSA-N 2 2 364.534 1.426 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000369961667 538082551 /nfs/dbraw/zinc/08/25/51/538082551.db2.gz LNNGSTBBZPIBOP-LZQZEXGQSA-N 2 2 356.470 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000369961667 538082555 /nfs/dbraw/zinc/08/25/55/538082555.db2.gz LNNGSTBBZPIBOP-LZQZEXGQSA-N 2 2 356.470 1.976 20 30 FDEDLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000566197302 547654433 /nfs/dbraw/zinc/65/44/33/547654433.db2.gz UYDLKRNUKUYXGR-IBGZPJMESA-N 3 2 363.550 1.662 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000584587071 551522395 /nfs/dbraw/zinc/52/23/95/551522395.db2.gz FMTFUUJBROZEJK-ROUUACIJSA-N 2 2 364.534 1.827 20 30 FDEDLP COc1cc(OC)cc([C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c2[nH+]ccn2C)c1 ZINC000591967305 551921348 /nfs/dbraw/zinc/92/13/48/551921348.db2.gz KURXZDQJKFDFTJ-IAGOWNOFSA-N 2 2 371.441 1.664 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)cnc12 ZINC000592504245 552002938 /nfs/dbraw/zinc/00/29/38/552002938.db2.gz RDNFKYTUKQUMEX-ZWKOTPCHSA-N 2 2 354.458 1.458 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000594222751 552266775 /nfs/dbraw/zinc/26/67/75/552266775.db2.gz LGYSLXCOUNSIHM-GOSISDBHSA-N 2 2 353.470 1.752 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000594222751 552266776 /nfs/dbraw/zinc/26/67/76/552266776.db2.gz LGYSLXCOUNSIHM-GOSISDBHSA-N 2 2 353.470 1.752 20 30 FDEDLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)c1 ZINC000594444648 552311771 /nfs/dbraw/zinc/31/17/71/552311771.db2.gz BAWUSBJUMKNSIP-LJQANCHMSA-N 2 2 374.485 1.629 20 30 FDEDLP COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594803469 552390915 /nfs/dbraw/zinc/39/09/15/552390915.db2.gz ODQPPNBNTKZSAY-AWEZNQCLSA-N 2 2 368.503 1.117 20 30 FDEDLP COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594803469 552390916 /nfs/dbraw/zinc/39/09/16/552390916.db2.gz ODQPPNBNTKZSAY-AWEZNQCLSA-N 2 2 368.503 1.117 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000594803492 552391075 /nfs/dbraw/zinc/39/10/75/552391075.db2.gz PDANUXFNGPTCFF-AWEZNQCLSA-N 2 2 370.494 1.389 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000594803492 552391076 /nfs/dbraw/zinc/39/10/76/552391076.db2.gz PDANUXFNGPTCFF-AWEZNQCLSA-N 2 2 370.494 1.389 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000594804277 552391445 /nfs/dbraw/zinc/39/14/45/552391445.db2.gz VPTWXVGCTXTLSO-AWEZNQCLSA-N 2 2 370.494 1.389 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000594804277 552391447 /nfs/dbraw/zinc/39/14/47/552391447.db2.gz VPTWXVGCTXTLSO-AWEZNQCLSA-N 2 2 370.494 1.389 20 30 FDEDLP N#CC1(c2ccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)cc2)CC1 ZINC000594922059 552424051 /nfs/dbraw/zinc/42/40/51/552424051.db2.gz IAHUPOVKKHKFGO-HXUWFJFHSA-N 2 2 354.498 1.738 20 30 FDEDLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595808802 552618466 /nfs/dbraw/zinc/61/84/66/552618466.db2.gz WQRPRPLDGKVYKD-LJQANCHMSA-N 2 2 355.486 1.870 20 30 FDEDLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595808802 552618467 /nfs/dbraw/zinc/61/84/67/552618467.db2.gz WQRPRPLDGKVYKD-LJQANCHMSA-N 2 2 355.486 1.870 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(C(F)(F)F)c1 ZINC000595887947 552628983 /nfs/dbraw/zinc/62/89/83/552628983.db2.gz JAZABZBJGZBLQG-HNNXBMFYSA-N 2 2 366.387 1.973 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(C(F)(F)F)c1 ZINC000595887947 552628985 /nfs/dbraw/zinc/62/89/85/552628985.db2.gz JAZABZBJGZBLQG-HNNXBMFYSA-N 2 2 366.387 1.973 20 30 FDEDLP Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C#N)c(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[nH+]1 ZINC000596262164 552669279 /nfs/dbraw/zinc/66/92/79/552669279.db2.gz AWQSXZXEENSOLC-GIYDNNGJSA-N 3 2 366.513 1.542 20 30 FDEDLP Cc1cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c(C#N)c(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[nH+]1 ZINC000596262164 552669280 /nfs/dbraw/zinc/66/92/80/552669280.db2.gz AWQSXZXEENSOLC-GIYDNNGJSA-N 3 2 366.513 1.542 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000596593223 552692503 /nfs/dbraw/zinc/69/25/03/552692503.db2.gz BSJLFCLSQWWXFD-UHFFFAOYSA-N 2 2 351.882 1.894 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000596593223 552692505 /nfs/dbraw/zinc/69/25/05/552692505.db2.gz BSJLFCLSQWWXFD-UHFFFAOYSA-N 2 2 351.882 1.894 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598590833 552912305 /nfs/dbraw/zinc/91/23/05/552912305.db2.gz UKLSPZJJVKUYPV-MSOLQXFVSA-N 2 2 352.523 1.014 20 30 FDEDLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599434340 553055891 /nfs/dbraw/zinc/05/58/91/553055891.db2.gz ZENYJKMGZCRGEV-KRWDZBQOSA-N 2 2 353.507 1.130 20 30 FDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3Cc4c[nH+]cn4C3)CC2)c1 ZINC000602331789 553564837 /nfs/dbraw/zinc/56/48/37/553564837.db2.gz JCIMSFBFUAHPFW-GOSISDBHSA-N 2 2 364.453 1.643 20 30 FDEDLP C[C@@H]1C[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)N1CC#N ZINC000602852274 553651166 /nfs/dbraw/zinc/65/11/66/553651166.db2.gz ARGYICSRWNNHLV-ZHALLVOQSA-N 2 2 357.502 1.324 20 30 FDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)c2cc1C ZINC000602858600 553652493 /nfs/dbraw/zinc/65/24/93/553652493.db2.gz TXACLVYWSJWLRE-KSZLIROESA-N 2 2 355.486 1.932 20 30 FDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)c2cc1C ZINC000602858600 553652496 /nfs/dbraw/zinc/65/24/96/553652496.db2.gz TXACLVYWSJWLRE-KSZLIROESA-N 2 2 355.486 1.932 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000623635060 556459814 /nfs/dbraw/zinc/45/98/14/556459814.db2.gz RSGPQCVKMIMUSM-IBGZPJMESA-N 2 2 373.501 1.232 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000623635060 556459817 /nfs/dbraw/zinc/45/98/17/556459817.db2.gz RSGPQCVKMIMUSM-IBGZPJMESA-N 2 2 373.501 1.232 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCS(=O)(=O)Cc1ccccc1 ZINC000264082386 672900700 /nfs/dbraw/zinc/90/07/00/672900700.db2.gz HXEUODLNNJHKBT-QGZVFWFLSA-N 2 2 366.531 1.380 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCS(=O)(=O)Cc1ccccc1 ZINC000264082386 672900702 /nfs/dbraw/zinc/90/07/02/672900702.db2.gz HXEUODLNNJHKBT-QGZVFWFLSA-N 2 2 366.531 1.380 20 30 FDEDLP C[NH+](C)CCCC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000289657438 676163633 /nfs/dbraw/zinc/16/36/33/676163633.db2.gz CRIVREJMMRBSRK-UHFFFAOYSA-N 2 2 364.515 1.781 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000328998768 676615595 /nfs/dbraw/zinc/61/55/95/676615595.db2.gz HCLFCTXBZNLYEL-NVXWUHKLSA-N 2 2 357.520 1.119 20 30 FDEDLP C[NH+]1CCC(CNC(=O)NC[C@@]2(C)CCOC2)([NH+]2CCCCC2)CC1 ZINC000329805990 676657832 /nfs/dbraw/zinc/65/78/32/676657832.db2.gz NOCXRRHWTGFWGF-GOSISDBHSA-N 2 2 352.523 1.867 20 30 FDEDLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000329805282 676657893 /nfs/dbraw/zinc/65/78/93/676657893.db2.gz MWQPEWBUWAWILW-NVXWUHKLSA-N 3 2 351.539 1.531 20 30 FDEDLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000329805282 676657894 /nfs/dbraw/zinc/65/78/94/676657894.db2.gz MWQPEWBUWAWILW-NVXWUHKLSA-N 3 2 351.539 1.531 20 30 FDEDLP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083192834 771015941 /nfs/dbraw/zinc/01/59/41/771015941.db2.gz QTICAWZVQLNFOH-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083192834 771015946 /nfs/dbraw/zinc/01/59/46/771015946.db2.gz QTICAWZVQLNFOH-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083192834 771015950 /nfs/dbraw/zinc/01/59/50/771015950.db2.gz QTICAWZVQLNFOH-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083192834 771015956 /nfs/dbraw/zinc/01/59/56/771015956.db2.gz QTICAWZVQLNFOH-LSTHTHJFSA-N 2 2 368.481 1.312 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194075 771240894 /nfs/dbraw/zinc/24/08/94/771240894.db2.gz VJHKFJWCKVFTCV-ZWKOTPCHSA-N 2 2 360.458 1.372 20 30 FDEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194075 771240899 /nfs/dbraw/zinc/24/08/99/771240899.db2.gz VJHKFJWCKVFTCV-ZWKOTPCHSA-N 2 2 360.458 1.372 20 30 FDEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C2 ZINC001112493034 773747283 /nfs/dbraw/zinc/74/72/83/773747283.db2.gz MSHGIKHVRADJBT-ZVDOUQERSA-N 2 2 361.530 1.892 20 30 FDEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)C2 ZINC001112493034 773747288 /nfs/dbraw/zinc/74/72/88/773747288.db2.gz MSHGIKHVRADJBT-ZVDOUQERSA-N 2 2 361.530 1.892 20 30 FDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCC[N@H+]1CCCC)C2 ZINC001112493309 773781502 /nfs/dbraw/zinc/78/15/02/773781502.db2.gz VPQAKXCOWNZBAZ-ZJOUEHCJSA-N 2 2 361.530 1.729 20 30 FDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCC[N@@H+]1CCCC)C2 ZINC001112493309 773781514 /nfs/dbraw/zinc/78/15/14/773781514.db2.gz VPQAKXCOWNZBAZ-ZJOUEHCJSA-N 2 2 361.530 1.729 20 30 FDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367556 777952634 /nfs/dbraw/zinc/95/26/34/777952634.db2.gz YLBYEIGILRMVLP-KZNAEPCWSA-N 2 2 360.502 1.722 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235076 781312971 /nfs/dbraw/zinc/31/29/71/781312971.db2.gz LVVRQUSORJMXNP-ZWKOTPCHSA-N 2 2 353.426 1.369 20 30 FDEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235076 781312975 /nfs/dbraw/zinc/31/29/75/781312975.db2.gz LVVRQUSORJMXNP-ZWKOTPCHSA-N 2 2 353.426 1.369 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638693 792388965 /nfs/dbraw/zinc/38/89/65/792388965.db2.gz DQHPZEDEJXJCPQ-LPHOPBHVSA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638693 792388979 /nfs/dbraw/zinc/38/89/79/792388979.db2.gz DQHPZEDEJXJCPQ-LPHOPBHVSA-N 2 2 370.497 1.952 20 30 FDEDLP C=CC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CCC[NH2+]1 ZINC000662798114 803315725 /nfs/dbraw/zinc/31/57/25/803315725.db2.gz AJAISOVFOSVQLD-NRFANRHFSA-N 2 2 370.497 1.988 20 30 FDEDLP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043561 807682950 /nfs/dbraw/zinc/68/29/50/807682950.db2.gz RSNZVZXYTCNXCT-KSZLIROESA-N 2 2 351.491 1.023 20 30 FDEDLP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043561 807682953 /nfs/dbraw/zinc/68/29/53/807682953.db2.gz RSNZVZXYTCNXCT-KSZLIROESA-N 2 2 351.491 1.023 20 30 FDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000328783385 819555702 /nfs/dbraw/zinc/55/57/02/819555702.db2.gz NMFIMRYMGZTCFK-JKSUJKDBSA-N 2 2 361.490 1.624 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)CC1 ZINC000328931694 819596522 /nfs/dbraw/zinc/59/65/22/819596522.db2.gz IBCNEMWGSSNBEW-IRXDYDNUSA-N 2 2 366.506 1.139 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)CC1 ZINC000328931694 819596528 /nfs/dbraw/zinc/59/65/28/819596528.db2.gz IBCNEMWGSSNBEW-IRXDYDNUSA-N 2 2 366.506 1.139 20 30 FDEDLP C[C@H](CC[NH+](C)C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330884690 819647404 /nfs/dbraw/zinc/64/74/04/819647404.db2.gz KZUJJTLPABEFTG-CQSZACIVSA-N 2 2 362.478 1.135 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087529816 820611432 /nfs/dbraw/zinc/61/14/32/820611432.db2.gz VMQRUPKOWPVHPK-XUVXKRRUSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087529816 820611436 /nfs/dbraw/zinc/61/14/36/820611436.db2.gz VMQRUPKOWPVHPK-XUVXKRRUSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CC#Cc1ccccc1 ZINC001087529816 820611438 /nfs/dbraw/zinc/61/14/38/820611438.db2.gz VMQRUPKOWPVHPK-XUVXKRRUSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC#Cc1ccccc1 ZINC001087529816 820611442 /nfs/dbraw/zinc/61/14/42/820611442.db2.gz VMQRUPKOWPVHPK-XUVXKRRUSA-N 2 2 355.482 1.338 20 30 FDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969823 824264248 /nfs/dbraw/zinc/26/42/48/824264248.db2.gz QFPOZWLADJEVHP-AKHDSKFASA-N 2 2 352.482 1.567 20 30 FDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969823 824264254 /nfs/dbraw/zinc/26/42/54/824264254.db2.gz QFPOZWLADJEVHP-AKHDSKFASA-N 2 2 352.482 1.567 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nocc3C)CC[C@@H]2C1 ZINC001087998079 825074144 /nfs/dbraw/zinc/07/41/44/825074144.db2.gz PYXRRTFLXWEPJE-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nocc3C)CC[C@@H]2C1 ZINC001087998079 825074150 /nfs/dbraw/zinc/07/41/50/825074150.db2.gz PYXRRTFLXWEPJE-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nocc3C)CC[C@@H]2C1 ZINC001087998079 825074159 /nfs/dbraw/zinc/07/41/59/825074159.db2.gz PYXRRTFLXWEPJE-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nocc3C)CC[C@@H]2C1 ZINC001087998079 825074175 /nfs/dbraw/zinc/07/41/75/825074175.db2.gz PYXRRTFLXWEPJE-AOIWGVFYSA-N 2 2 356.470 1.361 20 30 FDEDLP C[NH+]1CCC(CNC(=O)c2cnn3ncccc23)([NH+]2CCCCC2)CC1 ZINC000329926620 825546019 /nfs/dbraw/zinc/54/60/19/825546019.db2.gz KVOGCDDGDKOOSZ-UHFFFAOYSA-N 2 2 356.474 1.984 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000330009839 825592130 /nfs/dbraw/zinc/59/21/30/825592130.db2.gz HORGGXDTPNTAMW-CQSZACIVSA-N 2 2 373.505 1.411 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088052989 825637665 /nfs/dbraw/zinc/63/76/65/825637665.db2.gz PPUDRGUMWBTXRB-AABGKKOBSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088052989 825637668 /nfs/dbraw/zinc/63/76/68/825637668.db2.gz PPUDRGUMWBTXRB-AABGKKOBSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088052989 825637672 /nfs/dbraw/zinc/63/76/72/825637672.db2.gz PPUDRGUMWBTXRB-AABGKKOBSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088052989 825637675 /nfs/dbraw/zinc/63/76/75/825637675.db2.gz PPUDRGUMWBTXRB-AABGKKOBSA-N 2 2 359.514 1.291 20 30 FDEDLP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000330256599 825769933 /nfs/dbraw/zinc/76/99/33/825769933.db2.gz KUHJIPDFFPMCEY-YESZJQIVSA-N 2 2 368.522 1.195 20 30 FDEDLP C[C@H]([C@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000330256599 825769937 /nfs/dbraw/zinc/76/99/37/825769937.db2.gz KUHJIPDFFPMCEY-YESZJQIVSA-N 2 2 368.522 1.195 20 30 FDEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)ccc1F ZINC001088121025 826497847 /nfs/dbraw/zinc/49/78/47/826497847.db2.gz LAJCFMMGCCWXSM-WBVHZDCISA-N 2 2 367.428 1.943 20 30 FDEDLP N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)ccc1F ZINC001088121025 826497852 /nfs/dbraw/zinc/49/78/52/826497852.db2.gz LAJCFMMGCCWXSM-WBVHZDCISA-N 2 2 367.428 1.943 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncccn4)CC[C@@H]3C2)CC1 ZINC001088212077 827493624 /nfs/dbraw/zinc/49/36/24/827493624.db2.gz NVISEDGQRCISMS-MOPGFXCFSA-N 2 2 367.497 1.102 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ncccn4)CC[C@@H]3C2)CC1 ZINC001088212077 827493626 /nfs/dbraw/zinc/49/36/26/827493626.db2.gz NVISEDGQRCISMS-MOPGFXCFSA-N 2 2 367.497 1.102 20 30 FDEDLP CC[N@H+](CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000523916447 828289901 /nfs/dbraw/zinc/28/99/01/828289901.db2.gz ZQEZPNPUFLIHHG-UHFFFAOYSA-N 2 2 355.486 1.870 20 30 FDEDLP CC[N@@H+](CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000523916447 828289908 /nfs/dbraw/zinc/28/99/08/828289908.db2.gz ZQEZPNPUFLIHHG-UHFFFAOYSA-N 2 2 355.486 1.870 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCCC[N@H+]3CCO)CC2)cc1 ZINC000449395336 829472417 /nfs/dbraw/zinc/47/24/17/829472417.db2.gz POAQPDMFIDZIIZ-OAQYLSRUSA-N 2 2 356.514 1.959 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCCC[N@@H+]3CCO)CC2)cc1 ZINC000449395336 829472418 /nfs/dbraw/zinc/47/24/18/829472418.db2.gz POAQPDMFIDZIIZ-OAQYLSRUSA-N 2 2 356.514 1.959 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)c1 ZINC001077444080 861591009 /nfs/dbraw/zinc/59/10/09/861591009.db2.gz JWWIMSLRVDKLOI-AQNXPRMDSA-N 2 2 368.481 1.094 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)c1 ZINC001077444080 861591019 /nfs/dbraw/zinc/59/10/19/861591019.db2.gz JWWIMSLRVDKLOI-AQNXPRMDSA-N 2 2 368.481 1.094 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083524365 846262588 /nfs/dbraw/zinc/26/25/88/846262588.db2.gz REVPWTINEANVJL-HBMCJLEFSA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083524365 846262594 /nfs/dbraw/zinc/26/25/94/846262594.db2.gz REVPWTINEANVJL-HBMCJLEFSA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083524365 846262605 /nfs/dbraw/zinc/26/26/05/846262605.db2.gz REVPWTINEANVJL-HBMCJLEFSA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083524365 846262611 /nfs/dbraw/zinc/26/26/11/846262611.db2.gz REVPWTINEANVJL-HBMCJLEFSA-N 2 2 369.509 1.462 20 30 FDEDLP N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cc1 ZINC001076294492 847794498 /nfs/dbraw/zinc/79/44/98/847794498.db2.gz NVUBTOCBVRDWPQ-QFBILLFUSA-N 2 2 365.437 1.587 20 30 FDEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cc1 ZINC001076294492 847794502 /nfs/dbraw/zinc/79/45/02/847794502.db2.gz NVUBTOCBVRDWPQ-QFBILLFUSA-N 2 2 365.437 1.587 20 30 FDEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077092420 849731391 /nfs/dbraw/zinc/73/13/91/849731391.db2.gz SWJCJCJSRUHAHT-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077092420 849731392 /nfs/dbraw/zinc/73/13/92/849731392.db2.gz SWJCJCJSRUHAHT-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077092420 849731397 /nfs/dbraw/zinc/73/13/97/849731397.db2.gz SWJCJCJSRUHAHT-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077092420 849731401 /nfs/dbraw/zinc/73/14/01/849731401.db2.gz SWJCJCJSRUHAHT-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000907583423 854404665 /nfs/dbraw/zinc/40/46/65/854404665.db2.gz MJBZLPUSYRKART-UHFFFAOYSA-N 2 2 358.486 1.797 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)Br)[C@@H]2C)CC1 ZINC001089059815 866388679 /nfs/dbraw/zinc/38/86/79/866388679.db2.gz CUEOJKPIHQTSLE-ZBFHGGJFSA-N 2 2 368.319 1.819 20 30 FDEDLP C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831755 879140306 /nfs/dbraw/zinc/14/03/06/879140306.db2.gz ZZJNEPRDTUPASV-DBVUQKKJSA-N 2 2 370.497 1.484 20 30 FDEDLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831755 879140315 /nfs/dbraw/zinc/14/03/15/879140315.db2.gz ZZJNEPRDTUPASV-DBVUQKKJSA-N 2 2 370.497 1.484 20 30 FDEDLP C=CCCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000671950518 912469139 /nfs/dbraw/zinc/46/91/39/912469139.db2.gz QKIPDKJHTYNQEA-UHFFFAOYSA-N 2 2 350.507 1.134 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000246101301 884799227 /nfs/dbraw/zinc/79/92/27/884799227.db2.gz BUTMQNBLCNGSPW-PMACEKPBSA-N 2 2 367.497 1.375 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000246101301 884799242 /nfs/dbraw/zinc/79/92/42/884799242.db2.gz BUTMQNBLCNGSPW-PMACEKPBSA-N 2 2 367.497 1.375 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001129084343 885709934 /nfs/dbraw/zinc/70/99/34/885709934.db2.gz IAXOFCLJLGLFFB-NXHRZFHOSA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001129084343 885709937 /nfs/dbraw/zinc/70/99/37/885709937.db2.gz IAXOFCLJLGLFFB-NXHRZFHOSA-N 2 2 369.473 1.045 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998511 896548175 /nfs/dbraw/zinc/54/81/75/896548175.db2.gz TYQQQSCJGVYVEE-BZUAXINKSA-N 2 2 355.446 1.244 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998511 896548187 /nfs/dbraw/zinc/54/81/87/896548187.db2.gz TYQQQSCJGVYVEE-BZUAXINKSA-N 2 2 355.446 1.244 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998511 896548196 /nfs/dbraw/zinc/54/81/96/896548196.db2.gz TYQQQSCJGVYVEE-BZUAXINKSA-N 2 2 355.446 1.244 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998511 896548205 /nfs/dbraw/zinc/54/82/05/896548205.db2.gz TYQQQSCJGVYVEE-BZUAXINKSA-N 2 2 355.446 1.244 20 30 FDEDLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077582186 900596099 /nfs/dbraw/zinc/59/60/99/900596099.db2.gz DINRTFVIPHECJE-QZTJIDSGSA-N 2 2 368.437 1.188 20 30 FDEDLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077582186 900596111 /nfs/dbraw/zinc/59/61/11/900596111.db2.gz DINRTFVIPHECJE-QZTJIDSGSA-N 2 2 368.437 1.188 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080012333 903898991 /nfs/dbraw/zinc/89/89/91/903898991.db2.gz YNJRIKLZBODLHV-AUUYWEPGSA-N 2 2 367.453 1.858 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080012333 903898994 /nfs/dbraw/zinc/89/89/94/903898994.db2.gz YNJRIKLZBODLHV-AUUYWEPGSA-N 2 2 367.453 1.858 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949515 905423194 /nfs/dbraw/zinc/42/31/94/905423194.db2.gz SPZWRBASVLIMCP-QZTJIDSGSA-N 2 2 353.426 1.079 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949515 905423201 /nfs/dbraw/zinc/42/32/01/905423201.db2.gz SPZWRBASVLIMCP-QZTJIDSGSA-N 2 2 353.426 1.079 20 30 FDEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2C)C1 ZINC001080447011 905450922 /nfs/dbraw/zinc/45/09/22/905450922.db2.gz UMQTWMKSQIIUNV-MBOZVWFJSA-N 2 2 357.473 1.956 20 30 FDEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2C)C1 ZINC001080447011 905450933 /nfs/dbraw/zinc/45/09/33/905450933.db2.gz UMQTWMKSQIIUNV-MBOZVWFJSA-N 2 2 357.473 1.956 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)C1 ZINC001080447011 905450944 /nfs/dbraw/zinc/45/09/44/905450944.db2.gz UMQTWMKSQIIUNV-MBOZVWFJSA-N 2 2 357.473 1.956 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)C1 ZINC001080447011 905450955 /nfs/dbraw/zinc/45/09/55/905450955.db2.gz UMQTWMKSQIIUNV-MBOZVWFJSA-N 2 2 357.473 1.956 20 30 FDEDLP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]21)C1CCC1 ZINC001083106076 912045727 /nfs/dbraw/zinc/04/57/27/912045727.db2.gz ITFWZQVVLGJERA-VQTJNVASSA-N 2 2 368.481 1.454 20 30 FDEDLP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]21)C1CCC1 ZINC001083106076 912045739 /nfs/dbraw/zinc/04/57/39/912045739.db2.gz ITFWZQVVLGJERA-VQTJNVASSA-N 2 2 368.481 1.454 20 30 FDEDLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]21)C1CCC1 ZINC001083106076 912045749 /nfs/dbraw/zinc/04/57/49/912045749.db2.gz ITFWZQVVLGJERA-VQTJNVASSA-N 2 2 368.481 1.454 20 30 FDEDLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21)C1CCC1 ZINC001083106076 912045756 /nfs/dbraw/zinc/04/57/56/912045756.db2.gz ITFWZQVVLGJERA-VQTJNVASSA-N 2 2 368.481 1.454 20 30 FDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999163018 912159686 /nfs/dbraw/zinc/15/96/86/912159686.db2.gz ZQVQZTXUEMTNQM-HIEASXQVSA-N 2 2 351.491 1.021 20 30 FDEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001084831325 917518028 /nfs/dbraw/zinc/51/80/28/917518028.db2.gz HKHKGRVDHOMYLN-VQIMIIECSA-N 2 2 356.445 1.826 20 30 FDEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001084831325 917518031 /nfs/dbraw/zinc/51/80/31/917518031.db2.gz HKHKGRVDHOMYLN-VQIMIIECSA-N 2 2 356.445 1.826 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]21 ZINC001085047681 920048449 /nfs/dbraw/zinc/04/84/49/920048449.db2.gz GVBJPZWNQBYKNA-MOPGFXCFSA-N 2 2 359.514 1.578 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]21 ZINC001085047681 920048465 /nfs/dbraw/zinc/04/84/65/920048465.db2.gz GVBJPZWNQBYKNA-MOPGFXCFSA-N 2 2 359.514 1.578 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1conc1CC ZINC001085229605 922981767 /nfs/dbraw/zinc/98/17/67/922981767.db2.gz ANKTWRZWDONHNB-QRVBRYPASA-N 2 2 358.486 1.852 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1conc1CC ZINC001085229605 922981774 /nfs/dbraw/zinc/98/17/74/922981774.db2.gz ANKTWRZWDONHNB-QRVBRYPASA-N 2 2 358.486 1.852 20 30 FDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001112582796 931750722 /nfs/dbraw/zinc/75/07/22/931750722.db2.gz OSNYQNZJQMLXNU-ZJOUEHCJSA-N 2 2 359.514 1.339 20 30 FDEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490443 938442019 /nfs/dbraw/zinc/44/20/19/938442019.db2.gz FSXQHAPQKARKOS-SJORKVTESA-N 2 2 359.478 1.487 20 30 FDEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490443 938442021 /nfs/dbraw/zinc/44/20/21/938442021.db2.gz FSXQHAPQKARKOS-SJORKVTESA-N 2 2 359.478 1.487 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cn(C)cn1 ZINC001130633085 939936533 /nfs/dbraw/zinc/93/65/33/939936533.db2.gz ZSJYSRCLEPZBHB-DOTOQJQBSA-N 2 2 356.474 1.247 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cncn1C ZINC001131069992 940484128 /nfs/dbraw/zinc/48/41/28/940484128.db2.gz AJZFSEHZBSEXJF-ZMSDIMECSA-N 2 2 368.485 1.723 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131079469 940492267 /nfs/dbraw/zinc/49/22/67/940492267.db2.gz MZHGFFOVVYUZNW-GVDBMIGSSA-N 2 2 354.458 1.175 20 30 FDEDLP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131584698 940770255 /nfs/dbraw/zinc/77/02/55/940770255.db2.gz BZCMYQZHGBLHGB-APWZRJJASA-N 2 2 362.474 1.141 20 30 FDEDLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844368770 948019424 /nfs/dbraw/zinc/01/94/24/948019424.db2.gz GVSTUETUJPIVSO-IBGZPJMESA-N 2 2 356.470 1.266 20 30 FDEDLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844368770 948019429 /nfs/dbraw/zinc/01/94/29/948019429.db2.gz GVSTUETUJPIVSO-IBGZPJMESA-N 2 2 356.470 1.266 20 30 FDEDLP C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847022254 951776308 /nfs/dbraw/zinc/77/63/08/951776308.db2.gz SUHALVKICSLCOP-RBUKOAKNSA-N 2 2 369.509 1.869 20 30 FDEDLP C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847022254 951776313 /nfs/dbraw/zinc/77/63/13/951776313.db2.gz SUHALVKICSLCOP-RBUKOAKNSA-N 2 2 369.509 1.869 20 30 FDEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@]2(C)C1 ZINC001091678824 952610374 /nfs/dbraw/zinc/61/03/74/952610374.db2.gz OWWDTRFWUSJENI-IKVWTGGYSA-N 2 2 352.482 1.567 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276057 954669887 /nfs/dbraw/zinc/66/98/87/954669887.db2.gz BCKHHPUWFFQRDB-LESCRADOSA-N 2 2 355.910 1.488 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276057 954669891 /nfs/dbraw/zinc/66/98/91/954669891.db2.gz BCKHHPUWFFQRDB-LESCRADOSA-N 2 2 355.910 1.488 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4[nH+]ccn43)[C@H]2C(C)C)C[C@H]1O ZINC001093460021 958186114 /nfs/dbraw/zinc/18/61/14/958186114.db2.gz XKGRXMVUFYFZRM-DOSUHQCWSA-N 2 2 366.465 1.547 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001094075003 959703229 /nfs/dbraw/zinc/70/32/29/959703229.db2.gz UPAYYTSKMQBOGA-CZUORRHYSA-N 2 2 355.417 1.847 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001094166625 959955162 /nfs/dbraw/zinc/95/51/62/959955162.db2.gz HTIOGYOJAZWEFW-CRAIPNDOSA-N 2 2 351.454 1.719 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001094581730 960879247 /nfs/dbraw/zinc/87/92/47/960879247.db2.gz DWXNUISICLXBMX-LZLYRXPVSA-N 2 2 355.910 1.820 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001094581730 960879256 /nfs/dbraw/zinc/87/92/56/960879256.db2.gz DWXNUISICLXBMX-LZLYRXPVSA-N 2 2 355.910 1.820 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094581730 960879271 /nfs/dbraw/zinc/87/92/71/960879271.db2.gz DWXNUISICLXBMX-LZLYRXPVSA-N 2 2 355.910 1.820 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094581730 960879275 /nfs/dbraw/zinc/87/92/75/960879275.db2.gz DWXNUISICLXBMX-LZLYRXPVSA-N 2 2 355.910 1.820 20 30 FDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001179191291 964783820 /nfs/dbraw/zinc/78/38/20/964783820.db2.gz PATFYSGUQUBWOF-RDGPPVDQSA-N 2 2 365.518 1.411 20 30 FDEDLP C=CC[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](CC)CC3)cc2)CC1 ZINC001190841577 968119695 /nfs/dbraw/zinc/11/96/95/968119695.db2.gz UUTCHRZMWLHGGT-UHFFFAOYSA-N 2 2 356.514 1.768 20 30 FDEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCO1 ZINC000775795204 972534623 /nfs/dbraw/zinc/53/46/23/972534623.db2.gz VCXKOOQATMYHER-UXHICEINSA-N 2 2 355.482 1.410 20 30 FDEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CS(N)(=O)=O ZINC000865813774 974515420 /nfs/dbraw/zinc/51/54/20/974515420.db2.gz GIFDEPPDZYMZKW-UHFFFAOYSA-N 2 2 364.515 1.427 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000867955799 977138640 /nfs/dbraw/zinc/13/86/40/977138640.db2.gz HDUSDGZBOGXZJX-AABGKKOBSA-N 2 2 368.481 1.505 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000884088239 982846492 /nfs/dbraw/zinc/84/64/92/982846492.db2.gz COKURZPGNVKPFB-QGZVFWFLSA-N 2 2 352.442 1.473 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000884088239 982846503 /nfs/dbraw/zinc/84/65/03/982846503.db2.gz COKURZPGNVKPFB-QGZVFWFLSA-N 2 2 352.442 1.473 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000884205290 982981113 /nfs/dbraw/zinc/98/11/13/982981113.db2.gz RNMKXPZUUBZYEO-IKGGRYGDSA-N 2 2 351.491 1.546 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000884205290 982981114 /nfs/dbraw/zinc/98/11/14/982981114.db2.gz RNMKXPZUUBZYEO-IKGGRYGDSA-N 2 2 351.491 1.546 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884450291 983162213 /nfs/dbraw/zinc/16/22/13/983162213.db2.gz DKBYOJMIJUZIEJ-SZMVWBNQSA-N 2 2 359.470 1.317 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884450291 983162219 /nfs/dbraw/zinc/16/22/19/983162219.db2.gz DKBYOJMIJUZIEJ-SZMVWBNQSA-N 2 2 359.470 1.317 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110799200 983711639 /nfs/dbraw/zinc/71/16/39/983711639.db2.gz DRTLKBDMCGELBW-QRQLOZEOSA-N 2 2 365.437 1.252 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110799200 983711642 /nfs/dbraw/zinc/71/16/42/983711642.db2.gz DRTLKBDMCGELBW-QRQLOZEOSA-N 2 2 365.437 1.252 20 30 FDEDLP C#CCNC(=O)C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000366942038 988857649 /nfs/dbraw/zinc/85/76/49/988857649.db2.gz CBJVISSVEMVJFT-OAQYLSRUSA-N 2 2 369.509 1.739 20 30 FDEDLP C#CCNC(=O)C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000366942038 988857665 /nfs/dbraw/zinc/85/76/65/988857665.db2.gz CBJVISSVEMVJFT-OAQYLSRUSA-N 2 2 369.509 1.739 20 30 FDEDLP C(#CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000364963662 989919526 /nfs/dbraw/zinc/91/95/26/989919526.db2.gz QVARZCDTCYGKAJ-VXKWHMMOSA-N 3 2 358.574 1.825 20 30 FDEDLP C(#CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000364963662 989919536 /nfs/dbraw/zinc/91/95/36/989919536.db2.gz QVARZCDTCYGKAJ-VXKWHMMOSA-N 3 2 358.574 1.825 20 30 FDEDLP C#CC[C@H](CCOC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000875914919 992188659 /nfs/dbraw/zinc/18/86/59/992188659.db2.gz RBRLJZBVZBDEGC-GOSISDBHSA-N 2 2 364.534 1.616 20 30 FDEDLP C#CC[C@H](CCOC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000875914919 992188665 /nfs/dbraw/zinc/18/86/65/992188665.db2.gz RBRLJZBVZBDEGC-GOSISDBHSA-N 2 2 364.534 1.616 20 30 FDEDLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782056 992909087 /nfs/dbraw/zinc/90/90/87/992909087.db2.gz MPINZESNIKVXEB-JXFKEZNVSA-N 2 2 369.513 1.135 20 30 FDEDLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782056 992909088 /nfs/dbraw/zinc/90/90/88/992909088.db2.gz MPINZESNIKVXEB-JXFKEZNVSA-N 2 2 369.513 1.135 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374748522 992935010 /nfs/dbraw/zinc/93/50/10/992935010.db2.gz IAMGGDLGGDDTQY-MRXNPFEDSA-N 2 2 373.501 1.421 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374748522 992935016 /nfs/dbraw/zinc/93/50/16/992935016.db2.gz IAMGGDLGGDDTQY-MRXNPFEDSA-N 2 2 373.501 1.421 20 30 FDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccc(F)c1 ZINC000264072224 997395327 /nfs/dbraw/zinc/39/53/27/997395327.db2.gz GMFZTEGEPKTPGY-KRWDZBQOSA-N 2 2 371.464 1.355 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000271183223 999671999 /nfs/dbraw/zinc/67/19/99/999671999.db2.gz IHPJLWWUQCQFGP-KRWDZBQOSA-N 2 2 358.490 1.281 20 30 FDEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000948639534 1002528421 /nfs/dbraw/zinc/52/84/21/1002528421.db2.gz XSIMMKJXRZWPIC-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000948639534 1002528432 /nfs/dbraw/zinc/52/84/32/1002528432.db2.gz XSIMMKJXRZWPIC-OTWHNJEPSA-N 2 2 365.518 1.365 20 30 FDEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001110978053 1002652315 /nfs/dbraw/zinc/65/23/15/1002652315.db2.gz ORPFOEGEFXFRDA-BDXSIMOUSA-N 2 2 359.474 1.145 20 30 FDEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001110978053 1002652322 /nfs/dbraw/zinc/65/23/22/1002652322.db2.gz ORPFOEGEFXFRDA-BDXSIMOUSA-N 2 2 359.474 1.145 20 30 FDEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001110978053 1002652334 /nfs/dbraw/zinc/65/23/34/1002652334.db2.gz ORPFOEGEFXFRDA-BDXSIMOUSA-N 2 2 359.474 1.145 20 30 FDEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001110978053 1002652337 /nfs/dbraw/zinc/65/23/37/1002652337.db2.gz ORPFOEGEFXFRDA-BDXSIMOUSA-N 2 2 359.474 1.145 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CC(=O)NCCC#N)cc2)C[C@H](C)O1 ZINC000930857424 1003592502 /nfs/dbraw/zinc/59/25/02/1003592502.db2.gz CWVBKRGBPSZJPJ-CALCHBBNSA-N 2 2 358.486 1.757 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CC(=O)NCCC#N)cc2)C[C@H](C)O1 ZINC000930857424 1003592513 /nfs/dbraw/zinc/59/25/13/1003592513.db2.gz CWVBKRGBPSZJPJ-CALCHBBNSA-N 2 2 358.486 1.757 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CC(=O)NCCC#N)cc2)C[C@H](C)O1 ZINC000930857424 1003592520 /nfs/dbraw/zinc/59/25/20/1003592520.db2.gz CWVBKRGBPSZJPJ-CALCHBBNSA-N 2 2 358.486 1.757 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CC(=O)NCCC#N)cc2)C[C@H](C)O1 ZINC000930857424 1003592532 /nfs/dbraw/zinc/59/25/32/1003592532.db2.gz CWVBKRGBPSZJPJ-CALCHBBNSA-N 2 2 358.486 1.757 20 30 FDEDLP C[C@H]1CCCN(C(=[NH2+])NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000303865044 1009643361 /nfs/dbraw/zinc/64/33/61/1009643361.db2.gz BNOJLGVVUNKLPQ-KRWDZBQOSA-N 2 2 360.502 1.944 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC000961834093 1012908903 /nfs/dbraw/zinc/90/89/03/1012908903.db2.gz PCSXKFBCBWXTOO-JLOCXQCDSA-N 2 2 367.478 1.703 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC000961834093 1012908907 /nfs/dbraw/zinc/90/89/07/1012908907.db2.gz PCSXKFBCBWXTOO-JLOCXQCDSA-N 2 2 367.478 1.703 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533072754 540199308 /nfs/dbraw/zinc/19/93/08/540199308.db2.gz HLZRZLYRMKSUSB-INIZCTEOSA-N 2 2 360.506 1.478 20 30 FDEDLP COc1cc(C#N)ccc1OCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177155951 174109399 /nfs/dbraw/zinc/10/93/99/174109399.db2.gz XLPXWVJPDUUPFQ-UHFFFAOYSA-N 2 2 360.458 1.088 20 30 FDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)C2 ZINC000557596559 544315948 /nfs/dbraw/zinc/31/59/48/544315948.db2.gz IOMCBACVPBIFHH-KRWDZBQOSA-N 2 2 361.453 1.874 20 30 FDEDLP C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374323377 261110544 /nfs/dbraw/zinc/11/05/44/261110544.db2.gz IBMPZDXQTDXOOF-XLIONFOSSA-N 2 2 369.513 1.132 20 30 FDEDLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374323377 261110546 /nfs/dbraw/zinc/11/05/46/261110546.db2.gz IBMPZDXQTDXOOF-XLIONFOSSA-N 2 2 369.513 1.132 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000378300886 262004291 /nfs/dbraw/zinc/00/42/91/262004291.db2.gz ZQXFVVONVVBRBR-GOSISDBHSA-N 2 2 355.486 1.456 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000378300886 262004292 /nfs/dbraw/zinc/00/42/92/262004292.db2.gz ZQXFVVONVVBRBR-GOSISDBHSA-N 2 2 355.486 1.456 20 30 FDEDLP C[N@@H+]1CCN(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C(=O)C1 ZINC000378586641 262049391 /nfs/dbraw/zinc/04/93/91/262049391.db2.gz GLIPURDNLVTNJR-UHFFFAOYSA-N 2 2 369.469 1.125 20 30 FDEDLP C[N@H+]1CCN(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C(=O)C1 ZINC000378586641 262049392 /nfs/dbraw/zinc/04/93/92/262049392.db2.gz GLIPURDNLVTNJR-UHFFFAOYSA-N 2 2 369.469 1.125 20 30 FDEDLP N#CCSCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000080629158 523893992 /nfs/dbraw/zinc/89/39/92/523893992.db2.gz YYMMCCAQPNAFDO-UHFFFAOYSA-N 2 2 362.503 1.082 20 30 FDEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926374 524545554 /nfs/dbraw/zinc/54/55/54/524545554.db2.gz JIKLUFBQGYENSZ-OHTSDLOESA-N 2 2 372.517 1.861 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000174769637 524730539 /nfs/dbraw/zinc/73/05/39/524730539.db2.gz ADFRTUFZZCXKNH-GOSISDBHSA-N 2 2 350.507 1.533 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000092618802 524899669 /nfs/dbraw/zinc/89/96/69/524899669.db2.gz PJORYMRADTVABO-RTBURBONSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000092618802 524899677 /nfs/dbraw/zinc/89/96/77/524899677.db2.gz PJORYMRADTVABO-RTBURBONSA-N 2 2 361.534 1.096 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154019501 525394829 /nfs/dbraw/zinc/39/48/29/525394829.db2.gz PRIRLIIIPYAGMA-KDURUIRLSA-N 2 2 350.551 1.901 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154019501 525394836 /nfs/dbraw/zinc/39/48/36/525394836.db2.gz PRIRLIIIPYAGMA-KDURUIRLSA-N 2 2 350.551 1.901 20 30 FDEDLP CN(C(=O)CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000108351963 525958295 /nfs/dbraw/zinc/95/82/95/525958295.db2.gz PDQRHYHUNAWOTF-UHFFFAOYSA-N 2 2 373.501 1.104 20 30 FDEDLP CN(C(=O)CO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000108351963 525958304 /nfs/dbraw/zinc/95/83/04/525958304.db2.gz PDQRHYHUNAWOTF-UHFFFAOYSA-N 2 2 373.501 1.104 20 30 FDEDLP CC(C)CCOCCNC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267007579 536948306 /nfs/dbraw/zinc/94/83/06/536948306.db2.gz KRMHWOJYWSCFLY-UHFFFAOYSA-N 2 2 364.490 1.564 20 30 FDEDLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272542091 537294599 /nfs/dbraw/zinc/29/45/99/537294599.db2.gz RVMRLVXUKXYGLK-SFHVURJKSA-N 2 2 364.453 1.609 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280357729 537402152 /nfs/dbraw/zinc/40/21/52/537402152.db2.gz KZDCMKJINFRMCY-SFHVURJKSA-N 2 2 353.470 1.383 20 30 FDEDLP Cc1oc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C#N)c1C ZINC000377833259 538032994 /nfs/dbraw/zinc/03/29/94/538032994.db2.gz XWWQOAMPJANJKN-KRWDZBQOSA-N 2 2 373.501 1.807 20 30 FDEDLP Cc1oc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C#N)c1C ZINC000377833259 538032998 /nfs/dbraw/zinc/03/29/98/538032998.db2.gz XWWQOAMPJANJKN-KRWDZBQOSA-N 2 2 373.501 1.807 20 30 FDEDLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]([NH3+])CCCC#N)CCCC2)no1 ZINC000424153272 538247371 /nfs/dbraw/zinc/24/73/71/538247371.db2.gz JXLLKTVOLSRNLK-CQSZACIVSA-N 2 2 362.478 1.818 20 30 FDEDLP C[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000496735325 538716064 /nfs/dbraw/zinc/71/60/64/538716064.db2.gz FSILZTXNRIPLFH-MRXNPFEDSA-N 2 2 369.513 1.865 20 30 FDEDLP C[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000496735325 538716068 /nfs/dbraw/zinc/71/60/68/538716068.db2.gz FSILZTXNRIPLFH-MRXNPFEDSA-N 2 2 369.513 1.865 20 30 FDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000574913452 550391514 /nfs/dbraw/zinc/39/15/14/550391514.db2.gz SIQXKXQILFKFDN-MRXNPFEDSA-N 2 2 358.442 1.123 20 30 FDEDLP COc1cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)ccc1C#N ZINC000577952657 550712528 /nfs/dbraw/zinc/71/25/28/550712528.db2.gz USAKRSOZAIKMSQ-UHFFFAOYSA-N 2 2 352.442 1.641 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585716891 551586527 /nfs/dbraw/zinc/58/65/27/551586527.db2.gz AWOPFJHWNSACRB-MOPGFXCFSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585716891 551586529 /nfs/dbraw/zinc/58/65/29/551586529.db2.gz AWOPFJHWNSACRB-MOPGFXCFSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000593323316 552089640 /nfs/dbraw/zinc/08/96/40/552089640.db2.gz UDHNNOZSLXJKBT-IBGZPJMESA-N 3 2 369.513 1.310 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000594822262 552398773 /nfs/dbraw/zinc/39/87/73/552398773.db2.gz UMHHYSFLUPVIJG-UHFFFAOYSA-N 2 2 356.467 1.000 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000594822262 552398774 /nfs/dbraw/zinc/39/87/74/552398774.db2.gz UMHHYSFLUPVIJG-UHFFFAOYSA-N 2 2 356.467 1.000 20 30 FDEDLP N#CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000595612231 552592783 /nfs/dbraw/zinc/59/27/83/552592783.db2.gz UFWGISPABJODSJ-GOSISDBHSA-N 2 2 370.497 1.761 20 30 FDEDLP N#CC[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000595612231 552592784 /nfs/dbraw/zinc/59/27/84/552592784.db2.gz UFWGISPABJODSJ-GOSISDBHSA-N 2 2 370.497 1.761 20 30 FDEDLP Cc1nn(C)c(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1C#N ZINC000597107323 552748191 /nfs/dbraw/zinc/74/81/91/552748191.db2.gz HRIYBHMZEREDFB-UHFFFAOYSA-N 2 2 362.441 1.503 20 30 FDEDLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000599668604 553117818 /nfs/dbraw/zinc/11/78/18/553117818.db2.gz HSVSTKDOXZWVTF-IBGZPJMESA-N 2 2 373.497 1.875 20 30 FDEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000602876175 553657136 /nfs/dbraw/zinc/65/71/36/553657136.db2.gz FQGNSNCGVCAUQX-QUCCMNQESA-N 2 2 356.470 1.442 20 30 FDEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000602876175 553657135 /nfs/dbraw/zinc/65/71/35/553657135.db2.gz FQGNSNCGVCAUQX-QUCCMNQESA-N 2 2 356.470 1.442 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)CC1 ZINC000610369433 554496217 /nfs/dbraw/zinc/49/62/17/554496217.db2.gz LQQNTFXNMKGLBS-GOSISDBHSA-N 2 2 366.469 1.820 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)CC1 ZINC000610369433 554496218 /nfs/dbraw/zinc/49/62/18/554496218.db2.gz LQQNTFXNMKGLBS-GOSISDBHSA-N 2 2 366.469 1.820 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000611371597 554629373 /nfs/dbraw/zinc/62/93/73/554629373.db2.gz CMOUKDZTDABCCS-QZTJIDSGSA-N 2 2 358.490 1.212 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000611371597 554629374 /nfs/dbraw/zinc/62/93/74/554629374.db2.gz CMOUKDZTDABCCS-QZTJIDSGSA-N 2 2 358.490 1.212 20 30 FDEDLP COC[C@@H](C)NC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273489076 674542160 /nfs/dbraw/zinc/54/21/60/674542160.db2.gz MVNIVKLYESEPDI-LLVKDONJSA-N 2 2 368.279 1.887 20 30 FDEDLP CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000130860179 671798406 /nfs/dbraw/zinc/79/84/06/671798406.db2.gz DVLRPRFXWZUUQP-HOTGVXAUSA-N 2 2 366.531 1.628 20 30 FDEDLP CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000130860179 671798409 /nfs/dbraw/zinc/79/84/09/671798409.db2.gz DVLRPRFXWZUUQP-HOTGVXAUSA-N 2 2 366.531 1.628 20 30 FDEDLP [NH2+]=C(NCC[NH+]1CCSCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262542121 672805157 /nfs/dbraw/zinc/80/51/57/672805157.db2.gz SMTUBARHEBGBQU-UHFFFAOYSA-N 2 2 351.495 1.311 20 30 FDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(c2ccccn2)CC1 ZINC000262807141 672851313 /nfs/dbraw/zinc/85/13/13/672851313.db2.gz SZEYYSPIEVJQMM-UHFFFAOYSA-N 2 2 362.547 1.218 20 30 FDEDLP CC[NH+]1CCC(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000328657399 676601015 /nfs/dbraw/zinc/60/10/15/676601015.db2.gz OXXQBLHITXNVSA-QGZVFWFLSA-N 2 2 356.536 1.182 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435439244 681594027 /nfs/dbraw/zinc/59/40/27/681594027.db2.gz UHYNCHBDRYLSDM-AWEZNQCLSA-N 2 2 370.544 1.656 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435439244 681594032 /nfs/dbraw/zinc/59/40/32/681594032.db2.gz UHYNCHBDRYLSDM-AWEZNQCLSA-N 2 2 370.544 1.656 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000487798036 687002774 /nfs/dbraw/zinc/00/27/74/687002774.db2.gz JXDSJFNUTCJBQE-MRXNPFEDSA-N 2 2 352.523 1.332 20 30 FDEDLP C=CCCC[C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000487798036 687002782 /nfs/dbraw/zinc/00/27/82/687002782.db2.gz JXDSJFNUTCJBQE-MRXNPFEDSA-N 2 2 352.523 1.332 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345892 776040093 /nfs/dbraw/zinc/04/00/93/776040093.db2.gz YUOUDTIUTZOORH-IAGOWNOFSA-N 2 2 359.470 1.357 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104664914 789231701 /nfs/dbraw/zinc/23/17/01/789231701.db2.gz BEEVOZQYHWYJMV-ZACQAIPSSA-N 2 2 358.486 1.554 20 30 FDEDLP C=C[C@H](CO)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000662165717 806048499 /nfs/dbraw/zinc/04/84/99/806048499.db2.gz MURFEXDVLZHKBY-RHSMWYFYSA-N 2 2 351.878 1.730 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)s3)CC2)O1 ZINC000981435584 808039903 /nfs/dbraw/zinc/03/99/03/808039903.db2.gz LFFBYRWLSXZKKW-RHSMWYFYSA-N 2 2 362.499 1.373 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)s3)CC2)O1 ZINC000981435584 808039908 /nfs/dbraw/zinc/03/99/08/808039908.db2.gz LFFBYRWLSXZKKW-RHSMWYFYSA-N 2 2 362.499 1.373 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)O1 ZINC000981435584 808039915 /nfs/dbraw/zinc/03/99/15/808039915.db2.gz LFFBYRWLSXZKKW-RHSMWYFYSA-N 2 2 362.499 1.373 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)O1 ZINC000981435584 808039923 /nfs/dbraw/zinc/03/99/23/808039923.db2.gz LFFBYRWLSXZKKW-RHSMWYFYSA-N 2 2 362.499 1.373 20 30 FDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981667652 808313372 /nfs/dbraw/zinc/31/33/72/808313372.db2.gz VIWYYZPQJUMSQA-MOPGFXCFSA-N 2 2 365.518 1.367 20 30 FDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981667652 808313380 /nfs/dbraw/zinc/31/33/80/808313380.db2.gz VIWYYZPQJUMSQA-MOPGFXCFSA-N 2 2 365.518 1.367 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306090 809190553 /nfs/dbraw/zinc/19/05/53/809190553.db2.gz HYTLJLWDMGXPBC-AHCXZYCDSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306090 809190556 /nfs/dbraw/zinc/19/05/56/809190556.db2.gz HYTLJLWDMGXPBC-AHCXZYCDSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Br)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629340 811666511 /nfs/dbraw/zinc/66/65/11/811666511.db2.gz JSMJZRRGAHVSTL-MGPQQGTHSA-N 2 2 360.296 1.052 20 30 FDEDLP C=C(Br)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629340 811666519 /nfs/dbraw/zinc/66/65/19/811666519.db2.gz JSMJZRRGAHVSTL-MGPQQGTHSA-N 2 2 360.296 1.052 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629340 811666526 /nfs/dbraw/zinc/66/65/26/811666526.db2.gz JSMJZRRGAHVSTL-MGPQQGTHSA-N 2 2 360.296 1.052 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629340 811666529 /nfs/dbraw/zinc/66/65/29/811666529.db2.gz JSMJZRRGAHVSTL-MGPQQGTHSA-N 2 2 360.296 1.052 20 30 FDEDLP [O-]C(=[NH+]C[C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328762640 819546200 /nfs/dbraw/zinc/54/62/00/819546200.db2.gz YWMQJWZWXONKSE-IAGOWNOFSA-N 2 2 361.490 1.404 20 30 FDEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000328795271 819557866 /nfs/dbraw/zinc/55/78/66/819557866.db2.gz TXWSEBVSQIFXKL-INIZCTEOSA-N 2 2 361.490 1.768 20 30 FDEDLP C[NH+]1CCC(CNC(=O)c2ccc3n[nH]c(=O)n3c2)([NH+]2CCCCC2)CC1 ZINC000328932743 819596186 /nfs/dbraw/zinc/59/61/86/819596186.db2.gz PHDSKCQNVGLMMQ-UHFFFAOYSA-N 2 2 372.473 1.690 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087529329 820604644 /nfs/dbraw/zinc/60/46/44/820604644.db2.gz BWEJCPYTZFRPIY-GVDBMIGSSA-N 2 2 362.499 1.419 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087529329 820604674 /nfs/dbraw/zinc/60/46/74/820604674.db2.gz BWEJCPYTZFRPIY-GVDBMIGSSA-N 2 2 362.499 1.419 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087529329 820604678 /nfs/dbraw/zinc/60/46/78/820604678.db2.gz BWEJCPYTZFRPIY-GVDBMIGSSA-N 2 2 362.499 1.419 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087529329 820604683 /nfs/dbraw/zinc/60/46/83/820604683.db2.gz BWEJCPYTZFRPIY-GVDBMIGSSA-N 2 2 362.499 1.419 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@@H]2CC)CC1 ZINC001087840357 822559507 /nfs/dbraw/zinc/55/95/07/822559507.db2.gz UDOFZLSBLVGSHQ-RBUKOAKNSA-N 2 2 369.513 1.599 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@@H]2CC)CC1 ZINC001087840357 822559510 /nfs/dbraw/zinc/55/95/10/822559510.db2.gz UDOFZLSBLVGSHQ-RBUKOAKNSA-N 2 2 369.513 1.599 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)[C@@H]2CC)CC1 ZINC001087840482 822559709 /nfs/dbraw/zinc/55/97/09/822559709.db2.gz ZHCQRJKSDMXYSO-DLBZAZTESA-N 2 2 361.515 1.352 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)[C@@H]2CC)CC1 ZINC001087840482 822559710 /nfs/dbraw/zinc/55/97/10/822559710.db2.gz ZHCQRJKSDMXYSO-DLBZAZTESA-N 2 2 361.515 1.352 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001087920049 823866028 /nfs/dbraw/zinc/86/60/28/823866028.db2.gz CPRIUHDPXJLBOC-AABGKKOBSA-N 2 2 368.481 1.169 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001087920049 823866042 /nfs/dbraw/zinc/86/60/42/823866042.db2.gz CPRIUHDPXJLBOC-AABGKKOBSA-N 2 2 368.481 1.169 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001087920049 823866075 /nfs/dbraw/zinc/86/60/75/823866075.db2.gz CPRIUHDPXJLBOC-AABGKKOBSA-N 2 2 368.481 1.169 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001087920049 823866095 /nfs/dbraw/zinc/86/60/95/823866095.db2.gz CPRIUHDPXJLBOC-AABGKKOBSA-N 2 2 368.481 1.169 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncc(CC)o3)CC[C@@H]2C1 ZINC001087998261 825076238 /nfs/dbraw/zinc/07/62/38/825076238.db2.gz ZBNYFVSYAZSGGL-AOIWGVFYSA-N 2 2 370.497 1.615 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncc(CC)o3)CC[C@@H]2C1 ZINC001087998261 825076241 /nfs/dbraw/zinc/07/62/41/825076241.db2.gz ZBNYFVSYAZSGGL-AOIWGVFYSA-N 2 2 370.497 1.615 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncc(CC)o3)CC[C@@H]2C1 ZINC001087998261 825076249 /nfs/dbraw/zinc/07/62/49/825076249.db2.gz ZBNYFVSYAZSGGL-AOIWGVFYSA-N 2 2 370.497 1.615 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncc(CC)o3)CC[C@@H]2C1 ZINC001087998261 825076257 /nfs/dbraw/zinc/07/62/57/825076257.db2.gz ZBNYFVSYAZSGGL-AOIWGVFYSA-N 2 2 370.497 1.615 20 30 FDEDLP CC(=O)N1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000330087717 825627513 /nfs/dbraw/zinc/62/75/13/825627513.db2.gz NMENWTSWBFMRSG-HNNXBMFYSA-N 2 2 365.522 1.012 20 30 FDEDLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330240432 825762236 /nfs/dbraw/zinc/76/22/36/825762236.db2.gz BKTPKQXZGOFEAR-DLBZAZTESA-N 2 2 360.506 1.214 20 30 FDEDLP C[N@H+]1CCCC[C@@H]1CN1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330240432 825762239 /nfs/dbraw/zinc/76/22/39/825762239.db2.gz BKTPKQXZGOFEAR-DLBZAZTESA-N 2 2 360.506 1.214 20 30 FDEDLP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1CCC#N ZINC000896987695 826744351 /nfs/dbraw/zinc/74/43/51/826744351.db2.gz GZGLAOXNLATGHO-KRWDZBQOSA-N 2 2 358.490 1.346 20 30 FDEDLP Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1CCC#N ZINC000896987695 826744354 /nfs/dbraw/zinc/74/43/54/826744354.db2.gz GZGLAOXNLATGHO-KRWDZBQOSA-N 2 2 358.490 1.346 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537155 833158635 /nfs/dbraw/zinc/15/86/35/833158635.db2.gz SGLGWOZWEPUNNJ-BJLQDIEVSA-N 2 2 358.486 1.702 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202149 827451164 /nfs/dbraw/zinc/45/11/64/827451164.db2.gz MVLXZQHEEINEPS-OIISXLGYSA-N 2 2 355.910 1.488 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202149 827451173 /nfs/dbraw/zinc/45/11/73/827451173.db2.gz MVLXZQHEEINEPS-OIISXLGYSA-N 2 2 355.910 1.488 20 30 FDEDLP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000897473828 834958244 /nfs/dbraw/zinc/95/82/44/834958244.db2.gz GHEDVFCUTCXIMZ-KRWDZBQOSA-N 2 2 355.486 1.870 20 30 FDEDLP C[C@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000897473828 834958257 /nfs/dbraw/zinc/95/82/57/834958257.db2.gz GHEDVFCUTCXIMZ-KRWDZBQOSA-N 2 2 355.486 1.870 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083456288 837339869 /nfs/dbraw/zinc/33/98/69/837339869.db2.gz OSOBWPNSIGYOKI-QYZOEREBSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083456288 837339876 /nfs/dbraw/zinc/33/98/76/837339876.db2.gz OSOBWPNSIGYOKI-QYZOEREBSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083456288 837339884 /nfs/dbraw/zinc/33/98/84/837339884.db2.gz OSOBWPNSIGYOKI-QYZOEREBSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083456288 837339894 /nfs/dbraw/zinc/33/98/94/837339894.db2.gz OSOBWPNSIGYOKI-QYZOEREBSA-N 2 2 356.470 1.092 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001083668251 861243402 /nfs/dbraw/zinc/24/34/02/861243402.db2.gz JAKZUIHSASSTEF-HSALFYBXSA-N 2 2 368.481 1.094 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001083668251 861243421 /nfs/dbraw/zinc/24/34/21/861243421.db2.gz JAKZUIHSASSTEF-HSALFYBXSA-N 2 2 368.481 1.094 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105648098 842415507 /nfs/dbraw/zinc/41/55/07/842415507.db2.gz WTJLUUWJRCFCGR-IZBJGVDFSA-N 2 2 358.486 1.263 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088749938 842893753 /nfs/dbraw/zinc/89/37/53/842893753.db2.gz YDFXEUSNZFZYID-APWZRJJASA-N 2 2 354.429 1.961 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088749938 842893767 /nfs/dbraw/zinc/89/37/67/842893767.db2.gz YDFXEUSNZFZYID-APWZRJJASA-N 2 2 354.429 1.961 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105667685 843681959 /nfs/dbraw/zinc/68/19/59/843681959.db2.gz DBWGVBKAJZOPBI-IZBJGVDFSA-N 2 2 360.502 1.803 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001076517707 848315271 /nfs/dbraw/zinc/31/52/71/848315271.db2.gz SQZLWRRDMSQSQM-AZUAARDMSA-N 2 2 363.465 1.957 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001076517707 848315280 /nfs/dbraw/zinc/31/52/80/848315280.db2.gz SQZLWRRDMSQSQM-AZUAARDMSA-N 2 2 363.465 1.957 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(CC)c2)C[C@H]1O ZINC001077158681 849953266 /nfs/dbraw/zinc/95/32/66/849953266.db2.gz RRAPSYOAOJSRFF-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(CC)c2)C[C@H]1O ZINC001077158681 849953272 /nfs/dbraw/zinc/95/32/72/849953272.db2.gz RRAPSYOAOJSRFF-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(CC)c2)C[C@H]1O ZINC001077158681 849953277 /nfs/dbraw/zinc/95/32/77/849953277.db2.gz RRAPSYOAOJSRFF-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(CC)c2)C[C@H]1O ZINC001077158681 849953284 /nfs/dbraw/zinc/95/32/84/849953284.db2.gz RRAPSYOAOJSRFF-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831754 879140855 /nfs/dbraw/zinc/14/08/55/879140855.db2.gz ZZJNEPRDTUPASV-AHRSYUTCSA-N 2 2 370.497 1.484 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831754 879140862 /nfs/dbraw/zinc/14/08/62/879140862.db2.gz ZZJNEPRDTUPASV-AHRSYUTCSA-N 2 2 370.497 1.484 20 30 FDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004802 884999081 /nfs/dbraw/zinc/99/90/81/884999081.db2.gz XZNBLRGEWQZXCZ-ZACQAIPSSA-N 2 2 369.473 1.053 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004802 884999083 /nfs/dbraw/zinc/99/90/83/884999083.db2.gz XZNBLRGEWQZXCZ-ZACQAIPSSA-N 2 2 369.473 1.053 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2C#N)O1 ZINC001034975643 885406285 /nfs/dbraw/zinc/40/62/85/885406285.db2.gz WIWQCNFJIAFKPF-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2C#N)O1 ZINC001034975643 885406298 /nfs/dbraw/zinc/40/62/98/885406298.db2.gz WIWQCNFJIAFKPF-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CC[N@@H+]1C ZINC001031684120 887454547 /nfs/dbraw/zinc/45/45/47/887454547.db2.gz HQZOQIRGVWZZIX-PKOBYXMFSA-N 2 2 358.461 1.976 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CC[N@H+]1C ZINC001031684120 887454556 /nfs/dbraw/zinc/45/45/56/887454556.db2.gz HQZOQIRGVWZZIX-PKOBYXMFSA-N 2 2 358.461 1.976 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000923419063 889213173 /nfs/dbraw/zinc/21/31/73/889213173.db2.gz YTLLMGDXDQTEKH-UHFFFAOYSA-N 2 2 358.490 1.717 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000672355267 893216018 /nfs/dbraw/zinc/21/60/18/893216018.db2.gz SPULAXDLLOWYCW-SFHVURJKSA-N 2 2 356.470 1.056 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000672355267 893216032 /nfs/dbraw/zinc/21/60/32/893216032.db2.gz SPULAXDLLOWYCW-SFHVURJKSA-N 2 2 356.470 1.056 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000672354796 893217063 /nfs/dbraw/zinc/21/70/63/893217063.db2.gz VHUDOVMOEPWHIK-UHFFFAOYSA-N 2 2 370.497 1.097 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3c(C)noc3CC)C[C@H]21 ZINC001084417699 914374784 /nfs/dbraw/zinc/37/47/84/914374784.db2.gz ANOQHBMXJTVTAQ-NZSAHSFTSA-N 2 2 370.497 1.676 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3c(C)noc3CC)C[C@H]21 ZINC001084417699 914374804 /nfs/dbraw/zinc/37/48/04/914374804.db2.gz ANOQHBMXJTVTAQ-NZSAHSFTSA-N 2 2 370.497 1.676 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3c(C)noc3CC)C[C@H]21 ZINC001084417699 914374835 /nfs/dbraw/zinc/37/48/35/914374835.db2.gz ANOQHBMXJTVTAQ-NZSAHSFTSA-N 2 2 370.497 1.676 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3c(C)noc3CC)C[C@H]21 ZINC001084417699 914374846 /nfs/dbraw/zinc/37/48/46/914374846.db2.gz ANOQHBMXJTVTAQ-NZSAHSFTSA-N 2 2 370.497 1.676 20 30 FDEDLP C=CCC[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079271320 902332424 /nfs/dbraw/zinc/33/24/24/902332424.db2.gz NCPZXRTVDBBHGV-FUHWJXTLSA-N 2 2 358.486 1.776 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1F ZINC001079319870 902420695 /nfs/dbraw/zinc/42/06/95/902420695.db2.gz UJUQGSSQMFOFQD-PKOBYXMFSA-N 2 2 354.429 1.709 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951475 903754030 /nfs/dbraw/zinc/75/40/30/903754030.db2.gz PKOVFNUDKCRUQQ-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951475 903754041 /nfs/dbraw/zinc/75/40/41/903754041.db2.gz PKOVFNUDKCRUQQ-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951475 903754042 /nfs/dbraw/zinc/75/40/42/903754042.db2.gz PKOVFNUDKCRUQQ-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951475 903754053 /nfs/dbraw/zinc/75/40/53/903754053.db2.gz PKOVFNUDKCRUQQ-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001107455035 905015011 /nfs/dbraw/zinc/01/50/11/905015011.db2.gz VJKLYVPFFXILFC-FBBABVLZSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001107455035 905015024 /nfs/dbraw/zinc/01/50/24/905015024.db2.gz VJKLYVPFFXILFC-FBBABVLZSA-N 2 2 370.497 1.456 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080325017 905157757 /nfs/dbraw/zinc/15/77/57/905157757.db2.gz MYLQETORWVSHLF-HMXCVIKNSA-N 2 2 369.509 1.584 20 30 FDEDLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080325017 905157759 /nfs/dbraw/zinc/15/77/59/905157759.db2.gz MYLQETORWVSHLF-HMXCVIKNSA-N 2 2 369.509 1.584 20 30 FDEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080325017 905157762 /nfs/dbraw/zinc/15/77/62/905157762.db2.gz MYLQETORWVSHLF-HMXCVIKNSA-N 2 2 369.509 1.584 20 30 FDEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080325017 905157766 /nfs/dbraw/zinc/15/77/66/905157766.db2.gz MYLQETORWVSHLF-HMXCVIKNSA-N 2 2 369.509 1.584 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001080946617 906780323 /nfs/dbraw/zinc/78/03/23/906780323.db2.gz IQKNMNCCYBJXJD-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001080946617 906780345 /nfs/dbraw/zinc/78/03/45/906780345.db2.gz IQKNMNCCYBJXJD-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081232040 907431790 /nfs/dbraw/zinc/43/17/90/907431790.db2.gz VZKNKGPREGJBON-PWRODBHTSA-N 2 2 362.477 1.902 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)s2)C1 ZINC001082568175 908706794 /nfs/dbraw/zinc/70/67/94/908706794.db2.gz CXQCYBKHQXGOML-KFWWJZLASA-N 2 2 361.515 1.135 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)s2)C1 ZINC001082568175 908706801 /nfs/dbraw/zinc/70/68/01/908706801.db2.gz CXQCYBKHQXGOML-KFWWJZLASA-N 2 2 361.515 1.135 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001082568735 908712852 /nfs/dbraw/zinc/71/28/52/908712852.db2.gz ONLMAHWFUBYEFA-ZACQAIPSSA-N 2 2 358.486 1.832 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001082568735 908712860 /nfs/dbraw/zinc/71/28/60/908712860.db2.gz ONLMAHWFUBYEFA-ZACQAIPSSA-N 2 2 358.486 1.832 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001082604019 908921627 /nfs/dbraw/zinc/92/16/27/908921627.db2.gz YYTIJZVZDLICIS-KWCYVHTRSA-N 2 2 367.291 1.791 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082604675 908928079 /nfs/dbraw/zinc/92/80/79/908928079.db2.gz XNIZQXQQBUFXCU-MOXGXCLJSA-N 2 2 363.465 1.954 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001082658840 909428436 /nfs/dbraw/zinc/42/84/36/909428436.db2.gz AQLPYNJXMBOKQD-DGCLKSJQSA-N 2 2 355.280 1.698 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082861191 910489618 /nfs/dbraw/zinc/48/96/18/910489618.db2.gz NMYARGZBPBWKOM-FZKQIMNGSA-N 2 2 355.417 1.610 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403755 911205181 /nfs/dbraw/zinc/20/51/81/911205181.db2.gz ULXFSAOVPQQOLX-HZPDHXFCSA-N 2 2 362.499 1.419 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403755 911205192 /nfs/dbraw/zinc/20/51/92/911205192.db2.gz ULXFSAOVPQQOLX-HZPDHXFCSA-N 2 2 362.499 1.419 20 30 FDEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998464 919388143 /nfs/dbraw/zinc/38/81/43/919388143.db2.gz NWQOTOSUACEPOR-HSALFYBXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998464 919388155 /nfs/dbraw/zinc/38/81/55/919388155.db2.gz NWQOTOSUACEPOR-HSALFYBXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]21 ZINC001084998464 919388167 /nfs/dbraw/zinc/38/81/67/919388167.db2.gz NWQOTOSUACEPOR-HSALFYBXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]21 ZINC001084998464 919388169 /nfs/dbraw/zinc/38/81/69/919388169.db2.gz NWQOTOSUACEPOR-HSALFYBXSA-N 2 2 361.530 1.986 20 30 FDEDLP CSCCNC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771557368 930739780 /nfs/dbraw/zinc/73/97/80/930739780.db2.gz CZGYRCLFTCECPQ-UHFFFAOYSA-N 2 2 351.545 1.599 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922767 930757956 /nfs/dbraw/zinc/75/79/56/930757956.db2.gz NQDABJGUGCBNHJ-AOIWGVFYSA-N 2 2 367.453 1.805 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922767 930757960 /nfs/dbraw/zinc/75/79/60/930757960.db2.gz NQDABJGUGCBNHJ-AOIWGVFYSA-N 2 2 367.453 1.805 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1cncn1C ZINC001131014811 940448254 /nfs/dbraw/zinc/44/82/54/940448254.db2.gz HUIVPHZNSPOLGI-IAGOWNOFSA-N 2 2 370.501 1.820 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001131528026 940697448 /nfs/dbraw/zinc/69/74/48/940697448.db2.gz GNJODQXUPDGUDU-XLIONFOSSA-N 2 2 366.465 1.957 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000818589289 943296061 /nfs/dbraw/zinc/29/60/61/943296061.db2.gz VOLUNQWMGZWHPF-VQIMIIECSA-N 2 2 373.501 1.181 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000818589289 943296065 /nfs/dbraw/zinc/29/60/65/943296065.db2.gz VOLUNQWMGZWHPF-VQIMIIECSA-N 2 2 373.501 1.181 20 30 FDEDLP CN(c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1)C1CC[NH+](C)CC1 ZINC000819418656 943580697 /nfs/dbraw/zinc/58/06/97/943580697.db2.gz ZYYNVLOSHBOQLN-HXUWFJFHSA-N 2 2 359.518 1.835 20 30 FDEDLP CN(c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1)C1CC[NH+](C)CC1 ZINC000819418656 943580700 /nfs/dbraw/zinc/58/07/00/943580700.db2.gz ZYYNVLOSHBOQLN-HXUWFJFHSA-N 2 2 359.518 1.835 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001092200983 954523964 /nfs/dbraw/zinc/52/39/64/954523964.db2.gz SRPRFTRXRXTZDS-NQIIRXRSSA-N 2 2 363.465 1.815 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001092200983 954523966 /nfs/dbraw/zinc/52/39/66/954523966.db2.gz SRPRFTRXRXTZDS-NQIIRXRSSA-N 2 2 363.465 1.815 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001093471762 958235207 /nfs/dbraw/zinc/23/52/07/958235207.db2.gz GNYDYHQZBPCOCW-UOSKARGWSA-N 2 2 360.502 1.839 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001093471729 958235576 /nfs/dbraw/zinc/23/55/76/958235576.db2.gz GKKXGFADZWSWRP-IZBJGVDFSA-N 2 2 360.502 1.803 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094166129 959952008 /nfs/dbraw/zinc/95/20/08/959952008.db2.gz PCZSMZWZAXHUCW-RHSMWYFYSA-N 2 2 369.444 1.858 20 30 FDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001094254726 960226697 /nfs/dbraw/zinc/22/66/97/960226697.db2.gz GOQVDPFOWMCGIL-RHSMWYFYSA-N 2 2 355.417 1.778 20 30 FDEDLP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630222 964939990 /nfs/dbraw/zinc/93/99/90/964939990.db2.gz LLVGYGJTMANCRG-HZPDHXFCSA-N 2 2 361.490 1.092 20 30 FDEDLP O=C(C#CC1CC[NH2+]CC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000852872280 967678995 /nfs/dbraw/zinc/67/89/95/967678995.db2.gz DAHHIXPAPSKRLZ-UHFFFAOYSA-N 2 2 358.461 1.067 20 30 FDEDLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199023849 973804252 /nfs/dbraw/zinc/80/42/52/973804252.db2.gz QFAWLAGCXAUNPA-WOJBJXKFSA-N 2 2 355.482 1.075 20 30 FDEDLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199023849 973804260 /nfs/dbraw/zinc/80/42/60/973804260.db2.gz QFAWLAGCXAUNPA-WOJBJXKFSA-N 2 2 355.482 1.075 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110577728 975274339 /nfs/dbraw/zinc/27/43/39/975274339.db2.gz XLTKVJLGGVTQOZ-HZMVEIRTSA-N 2 2 373.501 1.420 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110577728 975274341 /nfs/dbraw/zinc/27/43/41/975274341.db2.gz XLTKVJLGGVTQOZ-HZMVEIRTSA-N 2 2 373.501 1.420 20 30 FDEDLP CC(C)[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000867963551 977148198 /nfs/dbraw/zinc/14/81/98/977148198.db2.gz XEZWZFSPICMMPX-MOPGFXCFSA-N 2 2 356.470 1.218 20 30 FDEDLP C[N@H+](CCCn1cc[nH+]c1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000130636400 981851343 /nfs/dbraw/zinc/85/13/43/981851343.db2.gz DMMUESXJCRGOOW-UHFFFAOYSA-N 2 2 366.425 1.499 20 30 FDEDLP C[N@@H+](CCCn1cc[nH+]c1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000130636400 981851351 /nfs/dbraw/zinc/85/13/51/981851351.db2.gz DMMUESXJCRGOOW-UHFFFAOYSA-N 2 2 366.425 1.499 20 30 FDEDLP C=C(C)C[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000883468534 982172484 /nfs/dbraw/zinc/17/24/84/982172484.db2.gz VKARVOTWSQBTHX-KRWDZBQOSA-N 2 2 352.523 1.563 20 30 FDEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426493 986202421 /nfs/dbraw/zinc/20/24/21/986202421.db2.gz ZULGHJKMJMLPSQ-KRWDZBQOSA-N 2 2 353.507 1.634 20 30 FDEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426493 986202435 /nfs/dbraw/zinc/20/24/35/986202435.db2.gz ZULGHJKMJMLPSQ-KRWDZBQOSA-N 2 2 353.507 1.634 20 30 FDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426493 986202441 /nfs/dbraw/zinc/20/24/41/986202441.db2.gz ZULGHJKMJMLPSQ-KRWDZBQOSA-N 2 2 353.507 1.634 20 30 FDEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426493 986202454 /nfs/dbraw/zinc/20/24/54/986202454.db2.gz ZULGHJKMJMLPSQ-KRWDZBQOSA-N 2 2 353.507 1.634 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1 ZINC000364274801 989527264 /nfs/dbraw/zinc/52/72/64/989527264.db2.gz YDGHOBGWEYCWFY-AITUJVMLSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1 ZINC000364274801 989527270 /nfs/dbraw/zinc/52/72/70/989527270.db2.gz YDGHOBGWEYCWFY-AITUJVMLSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1 ZINC000364274801 989527275 /nfs/dbraw/zinc/52/72/75/989527275.db2.gz YDGHOBGWEYCWFY-AITUJVMLSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1 ZINC000364274801 989527285 /nfs/dbraw/zinc/52/72/85/989527285.db2.gz YDGHOBGWEYCWFY-AITUJVMLSA-N 2 2 364.449 1.606 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000372339896 991024765 /nfs/dbraw/zinc/02/47/65/991024765.db2.gz XDYMMVVMBCHPOR-LZQZEXGQSA-N 2 2 356.470 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000372339896 991024774 /nfs/dbraw/zinc/02/47/74/991024774.db2.gz XDYMMVVMBCHPOR-LZQZEXGQSA-N 2 2 356.470 1.976 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248137 993144330 /nfs/dbraw/zinc/14/43/30/993144330.db2.gz GTFRMACHEGYUIG-IAGOWNOFSA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248137 993144333 /nfs/dbraw/zinc/14/43/33/993144333.db2.gz GTFRMACHEGYUIG-IAGOWNOFSA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000877248296 993144541 /nfs/dbraw/zinc/14/45/41/993144541.db2.gz JQDHKEHAMCKMKK-IRXDYDNUSA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000877248296 993144548 /nfs/dbraw/zinc/14/45/48/993144548.db2.gz JQDHKEHAMCKMKK-IRXDYDNUSA-N 2 2 351.878 1.782 20 30 FDEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000289309328 1000089371 /nfs/dbraw/zinc/08/93/71/1000089371.db2.gz DUPIUZKUJIHWNX-LJQANCHMSA-N 2 2 356.470 1.664 20 30 FDEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000289309328 1000089374 /nfs/dbraw/zinc/08/93/74/1000089374.db2.gz DUPIUZKUJIHWNX-LJQANCHMSA-N 2 2 356.470 1.664 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030790 1004954697 /nfs/dbraw/zinc/95/46/97/1004954697.db2.gz CIJSSMISKSSIGY-NJYVYQBISA-N 2 2 369.509 1.532 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030790 1004954699 /nfs/dbraw/zinc/95/46/99/1004954699.db2.gz CIJSSMISKSSIGY-NJYVYQBISA-N 2 2 369.509 1.532 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001111030790 1004954702 /nfs/dbraw/zinc/95/47/02/1004954702.db2.gz CIJSSMISKSSIGY-NJYVYQBISA-N 2 2 369.509 1.532 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001111030790 1004954704 /nfs/dbraw/zinc/95/47/04/1004954704.db2.gz CIJSSMISKSSIGY-NJYVYQBISA-N 2 2 369.509 1.532 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)s1 ZINC001111151923 1006482240 /nfs/dbraw/zinc/48/22/40/1006482240.db2.gz MHNHXYHHBYPIIT-OLMNPRSZSA-N 2 2 374.510 1.564 20 30 FDEDLP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)s1 ZINC001111151923 1006482249 /nfs/dbraw/zinc/48/22/49/1006482249.db2.gz MHNHXYHHBYPIIT-OLMNPRSZSA-N 2 2 374.510 1.564 20 30 FDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000303776917 1009576540 /nfs/dbraw/zinc/57/65/40/1009576540.db2.gz ICFGSOFONHVGFS-LJQANCHMSA-N 3 2 361.534 1.696 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960277478 1009902726 /nfs/dbraw/zinc/90/27/26/1009902726.db2.gz CXDWDYDUGSEVDT-BNEJOLLZSA-N 2 2 363.889 1.830 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960277478 1009902728 /nfs/dbraw/zinc/90/27/28/1009902728.db2.gz CXDWDYDUGSEVDT-BNEJOLLZSA-N 2 2 363.889 1.830 20 30 FDEDLP Cn1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1C#N ZINC000190890909 178031275 /nfs/dbraw/zinc/03/12/75/178031275.db2.gz QQSWOJCWALTZCX-UHFFFAOYSA-N 2 2 354.454 1.898 20 30 FDEDLP C=CCOc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000530633596 540013202 /nfs/dbraw/zinc/01/32/02/540013202.db2.gz GJKVJARXYGDAAL-SFHVURJKSA-N 2 2 359.470 1.274 20 30 FDEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000544350592 541757945 /nfs/dbraw/zinc/75/79/45/541757945.db2.gz FSWYEWFXUROMAJ-OAHLLOKOSA-N 2 2 374.452 1.948 20 30 FDEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000544350592 541757949 /nfs/dbraw/zinc/75/79/49/541757949.db2.gz FSWYEWFXUROMAJ-OAHLLOKOSA-N 2 2 374.452 1.948 20 30 FDEDLP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000093147228 172312080 /nfs/dbraw/zinc/31/20/80/172312080.db2.gz KNVFTOBIBIRRLP-GOSISDBHSA-N 2 2 352.486 1.808 20 30 FDEDLP C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000093147228 172312085 /nfs/dbraw/zinc/31/20/85/172312085.db2.gz KNVFTOBIBIRRLP-GOSISDBHSA-N 2 2 352.486 1.808 20 30 FDEDLP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332331579 259258065 /nfs/dbraw/zinc/25/80/65/259258065.db2.gz QWDQFOKGXVDSPL-RBUKOAKNSA-N 2 2 355.486 1.868 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369271450 260328396 /nfs/dbraw/zinc/32/83/96/260328396.db2.gz QWJCMRCERFKSBT-MRXNPFEDSA-N 2 2 372.469 1.044 20 30 FDEDLP CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000043293099 521847037 /nfs/dbraw/zinc/84/70/37/521847037.db2.gz IJGWXYOMOALXAR-UHFFFAOYSA-N 2 2 355.486 1.870 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869315 522413386 /nfs/dbraw/zinc/41/33/86/522413386.db2.gz INCBSRRBPDGNIT-AEFFLSMTSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869315 522413390 /nfs/dbraw/zinc/41/33/90/522413390.db2.gz INCBSRRBPDGNIT-AEFFLSMTSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072869315 522413397 /nfs/dbraw/zinc/41/33/97/522413397.db2.gz INCBSRRBPDGNIT-AEFFLSMTSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072869315 522413405 /nfs/dbraw/zinc/41/34/05/522413405.db2.gz INCBSRRBPDGNIT-AEFFLSMTSA-N 2 2 358.486 1.841 20 30 FDEDLP CCOCCNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000084505725 524312668 /nfs/dbraw/zinc/31/26/68/524312668.db2.gz BJDHYRFQXBGMRY-UHFFFAOYSA-N 2 2 362.474 1.462 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000141652471 524339596 /nfs/dbraw/zinc/33/95/96/524339596.db2.gz STCPZPJZRMAASH-SFHVURJKSA-N 2 2 369.469 1.125 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000141652471 524339603 /nfs/dbraw/zinc/33/96/03/524339603.db2.gz STCPZPJZRMAASH-SFHVURJKSA-N 2 2 369.469 1.125 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000112358807 524469480 /nfs/dbraw/zinc/46/94/80/524469480.db2.gz CCEYJVVYDHDFPD-UHFFFAOYSA-N 2 2 350.551 1.903 20 30 FDEDLP C#CCSCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175217871 524907615 /nfs/dbraw/zinc/90/76/15/524907615.db2.gz KGYCMLRZZCWLKT-UHFFFAOYSA-N 2 2 352.548 1.602 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154019614 525395420 /nfs/dbraw/zinc/39/54/20/525395420.db2.gz PRIRLIIIPYAGMA-OALUTQOASA-N 2 2 350.551 1.901 20 30 FDEDLP CCCNC(=O)CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000108351926 525958033 /nfs/dbraw/zinc/95/80/33/525958033.db2.gz LSNQKCQJFUATLP-UHFFFAOYSA-N 2 2 361.490 1.009 20 30 FDEDLP CCCNC(=O)CO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000108351926 525958042 /nfs/dbraw/zinc/95/80/42/525958042.db2.gz LSNQKCQJFUATLP-UHFFFAOYSA-N 2 2 361.490 1.009 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000133997445 526114797 /nfs/dbraw/zinc/11/47/97/526114797.db2.gz VDNYSGXWGBYWSE-UHFFFAOYSA-N 2 2 352.442 1.745 20 30 FDEDLP CCN(CCC#N)C(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188284489 536288484 /nfs/dbraw/zinc/28/84/84/536288484.db2.gz LMPLMYUPFKLCDJ-FQEVSTJZSA-N 2 2 358.486 1.317 20 30 FDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188284489 536288485 /nfs/dbraw/zinc/28/84/85/536288485.db2.gz LMPLMYUPFKLCDJ-FQEVSTJZSA-N 2 2 358.486 1.317 20 30 FDEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188284489 536288486 /nfs/dbraw/zinc/28/84/86/536288486.db2.gz LMPLMYUPFKLCDJ-FQEVSTJZSA-N 2 2 358.486 1.317 20 30 FDEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188284489 536288487 /nfs/dbraw/zinc/28/84/87/536288487.db2.gz LMPLMYUPFKLCDJ-FQEVSTJZSA-N 2 2 358.486 1.317 20 30 FDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000264101871 537136961 /nfs/dbraw/zinc/13/69/61/537136961.db2.gz OLUIFBGMHYHXRC-QGZVFWFLSA-N 3 2 367.563 1.758 20 30 FDEDLP CC(C)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCN(C)CC1 ZINC000304511181 537597932 /nfs/dbraw/zinc/59/79/32/537597932.db2.gz WYZIHIQMFJARHI-QZTJIDSGSA-N 2 2 359.518 1.687 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304776151 537599189 /nfs/dbraw/zinc/59/91/89/537599189.db2.gz CYJAUJCUWMZKQX-SFHVURJKSA-N 4 2 364.582 1.325 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304776151 537599198 /nfs/dbraw/zinc/59/91/98/537599198.db2.gz CYJAUJCUWMZKQX-SFHVURJKSA-N 4 2 364.582 1.325 20 30 FDEDLP C[C@@H]1C[NH+](C(C)(C)C[NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C[C@@H](C)O1 ZINC000329921213 537646214 /nfs/dbraw/zinc/64/62/14/537646214.db2.gz SMTNJMKFVWABMJ-OAGGEKHMSA-N 2 2 363.506 1.837 20 30 FDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@@H](C)O1 ZINC000329921213 537646220 /nfs/dbraw/zinc/64/62/20/537646220.db2.gz SMTNJMKFVWABMJ-OAGGEKHMSA-N 2 2 363.506 1.837 20 30 FDEDLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000329922391 537646980 /nfs/dbraw/zinc/64/69/80/537646980.db2.gz GJHZLOXCAIGZBK-RDJZCZTQSA-N 2 2 366.485 1.273 20 30 FDEDLP Cc1oc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000371260716 537791855 /nfs/dbraw/zinc/79/18/55/537791855.db2.gz QDMJYZNECWMWMA-QGZVFWFLSA-N 2 2 373.501 1.807 20 30 FDEDLP Cc1oc(NC(=O)CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000371260716 537791863 /nfs/dbraw/zinc/79/18/63/537791863.db2.gz QDMJYZNECWMWMA-QGZVFWFLSA-N 2 2 373.501 1.807 20 30 FDEDLP Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000371260716 537791872 /nfs/dbraw/zinc/79/18/72/537791872.db2.gz QDMJYZNECWMWMA-QGZVFWFLSA-N 2 2 373.501 1.807 20 30 FDEDLP Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000371260716 537791883 /nfs/dbraw/zinc/79/18/83/537791883.db2.gz QDMJYZNECWMWMA-QGZVFWFLSA-N 2 2 373.501 1.807 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000375904877 537798022 /nfs/dbraw/zinc/79/80/22/537798022.db2.gz LKFKXHVMWBJMNY-IEBWSBKVSA-N 2 2 369.513 1.986 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000375904877 537798030 /nfs/dbraw/zinc/79/80/30/537798030.db2.gz LKFKXHVMWBJMNY-IEBWSBKVSA-N 2 2 369.513 1.986 20 30 FDEDLP N#Cc1cccnc1OC1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000568499923 548561727 /nfs/dbraw/zinc/56/17/27/548561727.db2.gz ZSECQGWPPMVEDH-BTRQGYIVSA-N 2 2 356.470 2.000 20 30 FDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000575959433 550495143 /nfs/dbraw/zinc/49/51/43/550495143.db2.gz YBGZLYZPCYIJSU-IEBWSBKVSA-N 2 2 354.454 1.068 20 30 FDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000575959434 550495239 /nfs/dbraw/zinc/49/52/39/550495239.db2.gz YBGZLYZPCYIJSU-MJGOQNOKSA-N 2 2 354.454 1.068 20 30 FDEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000585727564 551588330 /nfs/dbraw/zinc/58/83/30/551588330.db2.gz WDWOBCOGRPGANB-SJORKVTESA-N 2 2 372.517 1.363 20 30 FDEDLP CN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000586779729 551618661 /nfs/dbraw/zinc/61/86/61/551618661.db2.gz LUXMNPSIOFTHSK-KRWDZBQOSA-N 2 2 358.461 1.867 20 30 FDEDLP CN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000586779729 551618662 /nfs/dbraw/zinc/61/86/62/551618662.db2.gz LUXMNPSIOFTHSK-KRWDZBQOSA-N 2 2 358.461 1.867 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150658 551950607 /nfs/dbraw/zinc/95/06/07/551950607.db2.gz FXSYFMGHJXMLEZ-YVWKXTFCSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150658 551950608 /nfs/dbraw/zinc/95/06/08/551950608.db2.gz FXSYFMGHJXMLEZ-YVWKXTFCSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@](O)(CC#N)C1 ZINC000592150658 551950610 /nfs/dbraw/zinc/95/06/10/551950610.db2.gz FXSYFMGHJXMLEZ-YVWKXTFCSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@](O)(CC#N)C1 ZINC000592150658 551950612 /nfs/dbraw/zinc/95/06/12/551950612.db2.gz FXSYFMGHJXMLEZ-YVWKXTFCSA-N 2 2 356.470 1.116 20 30 FDEDLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000592957594 552048622 /nfs/dbraw/zinc/04/86/22/552048622.db2.gz PQFRFXFLENDSCR-HNNXBMFYSA-N 2 2 373.457 1.042 20 30 FDEDLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)c1 ZINC000594444647 552311725 /nfs/dbraw/zinc/31/17/25/552311725.db2.gz BAWUSBJUMKNSIP-IBGZPJMESA-N 2 2 374.485 1.629 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000594803102 552390842 /nfs/dbraw/zinc/39/08/42/552390842.db2.gz IZGYESPKEOHKBI-ZDUSSCGKSA-N 2 2 372.922 1.762 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000594803102 552390843 /nfs/dbraw/zinc/39/08/43/552390843.db2.gz IZGYESPKEOHKBI-ZDUSSCGKSA-N 2 2 372.922 1.762 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC3(C#N)CCOCC3)CC2)CC1 ZINC000597791679 552833178 /nfs/dbraw/zinc/83/31/78/552833178.db2.gz ZTDMMNHZSNALIW-UHFFFAOYSA-N 2 2 362.518 1.715 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC3(C#N)CCOCC3)CC2)CC1 ZINC000597791679 552833180 /nfs/dbraw/zinc/83/31/80/552833180.db2.gz ZTDMMNHZSNALIW-UHFFFAOYSA-N 2 2 362.518 1.715 20 30 FDEDLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1 ZINC000599285249 553014888 /nfs/dbraw/zinc/01/48/88/553014888.db2.gz NJLQUGBVCMNFBQ-INIZCTEOSA-N 2 2 360.458 1.284 20 30 FDEDLP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000600721036 553307141 /nfs/dbraw/zinc/30/71/41/553307141.db2.gz KCNBVBJIKDDQGT-GOSISDBHSA-N 2 2 359.470 1.542 20 30 FDEDLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCN(CCC#N)CC2)CC1 ZINC000611175284 554612268 /nfs/dbraw/zinc/61/22/68/554612268.db2.gz CSSWVGSMWUITSI-UHFFFAOYSA-N 2 2 369.513 1.171 20 30 FDEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000611505001 554638961 /nfs/dbraw/zinc/63/89/61/554638961.db2.gz CXJRNPSAPODVMZ-SFHVURJKSA-N 2 2 370.497 1.629 20 30 FDEDLP C[NH+]=C(NC[C@@H](C1CCCCC1)[NH+](C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261955882 672701538 /nfs/dbraw/zinc/70/15/38/672701538.db2.gz ITBSCVUGTCNEKU-INIZCTEOSA-N 2 2 372.579 1.581 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)CCc1ccccc1 ZINC000283795481 675661512 /nfs/dbraw/zinc/66/15/12/675661512.db2.gz MXDYVJXISUNTCS-QGZVFWFLSA-N 2 2 366.531 1.033 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)CCc1ccccc1 ZINC000283795481 675661514 /nfs/dbraw/zinc/66/15/14/675661514.db2.gz MXDYVJXISUNTCS-QGZVFWFLSA-N 2 2 366.531 1.033 20 30 FDEDLP C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000328689025 676602291 /nfs/dbraw/zinc/60/22/91/676602291.db2.gz QGGQMRGUEIWIBN-BBWFWOEESA-N 2 2 354.539 1.967 20 30 FDEDLP C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000328689025 676602294 /nfs/dbraw/zinc/60/22/94/676602294.db2.gz QGGQMRGUEIWIBN-BBWFWOEESA-N 2 2 354.539 1.967 20 30 FDEDLP C[C@H](CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000328689029 676602391 /nfs/dbraw/zinc/60/23/91/676602391.db2.gz QGGQMRGUEIWIBN-IXDOHACOSA-N 2 2 354.539 1.967 20 30 FDEDLP C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000328689029 676602392 /nfs/dbraw/zinc/60/23/92/676602392.db2.gz QGGQMRGUEIWIBN-IXDOHACOSA-N 2 2 354.539 1.967 20 30 FDEDLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1)[NH+]1CCOCC1 ZINC000328836659 676608926 /nfs/dbraw/zinc/60/89/26/676608926.db2.gz MTWZSAVXCXLUCK-QGZVFWFLSA-N 2 2 353.507 1.802 20 30 FDEDLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H](C2CCOCC2)C1)[NH+]1CCOCC1 ZINC000328836659 676608930 /nfs/dbraw/zinc/60/89/30/676608930.db2.gz MTWZSAVXCXLUCK-QGZVFWFLSA-N 2 2 353.507 1.802 20 30 FDEDLP C[NH+]1CCC2(CCC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)CC1 ZINC000377592209 678568711 /nfs/dbraw/zinc/56/87/11/678568711.db2.gz NLLZGMXJLNXKRO-UHFFFAOYSA-N 2 2 362.499 1.535 20 30 FDEDLP C[NH+]1CCC2(CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)CC1 ZINC000377592209 678568714 /nfs/dbraw/zinc/56/87/14/678568714.db2.gz NLLZGMXJLNXKRO-UHFFFAOYSA-N 2 2 362.499 1.535 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1 ZINC001211640413 787527640 /nfs/dbraw/zinc/52/76/40/787527640.db2.gz UXDHMMSUUCACTL-RBUKOAKNSA-N 2 2 350.466 1.960 20 30 FDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001104699318 789519196 /nfs/dbraw/zinc/51/91/96/789519196.db2.gz MYDQZMQLGIAVRS-BRSBDYLESA-N 2 2 360.502 1.800 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001104699577 789519688 /nfs/dbraw/zinc/51/96/88/789519688.db2.gz ZFZNVIXIBSBPPL-BRSBDYLESA-N 2 2 358.486 1.248 20 30 FDEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000662166045 806047786 /nfs/dbraw/zinc/04/77/86/806047786.db2.gz RHSFPQFXDZFETP-LJQANCHMSA-N 2 2 353.466 1.621 20 30 FDEDLP C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC001105265103 795634659 /nfs/dbraw/zinc/63/46/59/795634659.db2.gz YFXPWEXYYREOQB-KBRIMQKVSA-N 2 2 369.473 1.633 20 30 FDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974879065 800473580 /nfs/dbraw/zinc/47/35/80/800473580.db2.gz NCRBVBRCQQYMBG-SQNIBIBYSA-N 2 2 365.518 1.269 20 30 FDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974879065 800473584 /nfs/dbraw/zinc/47/35/84/800473584.db2.gz NCRBVBRCQQYMBG-SQNIBIBYSA-N 2 2 365.518 1.269 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075613567 809052938 /nfs/dbraw/zinc/05/29/38/809052938.db2.gz HKKRCHDNOAPCTO-ZYSHUDEJSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075613567 809052946 /nfs/dbraw/zinc/05/29/46/809052946.db2.gz HKKRCHDNOAPCTO-ZYSHUDEJSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075613567 809052949 /nfs/dbraw/zinc/05/29/49/809052949.db2.gz HKKRCHDNOAPCTO-ZYSHUDEJSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075613567 809052956 /nfs/dbraw/zinc/05/29/56/809052956.db2.gz HKKRCHDNOAPCTO-ZYSHUDEJSA-N 2 2 356.445 1.824 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001087463083 810883687 /nfs/dbraw/zinc/88/36/87/810883687.db2.gz PWOVRMYJBFXYQX-GUDVDZBRSA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001087463083 810883694 /nfs/dbraw/zinc/88/36/94/810883694.db2.gz PWOVRMYJBFXYQX-GUDVDZBRSA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087463083 810883700 /nfs/dbraw/zinc/88/37/00/810883700.db2.gz PWOVRMYJBFXYQX-GUDVDZBRSA-N 2 2 361.461 1.616 20 30 FDEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087463083 810883708 /nfs/dbraw/zinc/88/37/08/810883708.db2.gz PWOVRMYJBFXYQX-GUDVDZBRSA-N 2 2 361.461 1.616 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2=CC[N@H+](C)CC2)CC1=O ZINC000271844798 814494888 /nfs/dbraw/zinc/49/48/88/814494888.db2.gz UJXLPXNTJXEDMB-UHFFFAOYSA-N 2 2 351.454 1.908 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2=CC[N@@H+](C)CC2)CC1=O ZINC000271844798 814494890 /nfs/dbraw/zinc/49/48/90/814494890.db2.gz UJXLPXNTJXEDMB-UHFFFAOYSA-N 2 2 351.454 1.908 20 30 FDEDLP N#Cc1ccc(N[C@H]2CCn3cc[nH+]c3C2)nc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000436324845 816424864 /nfs/dbraw/zinc/42/48/64/816424864.db2.gz YAMFOFHTPBAGJS-JKSUJKDBSA-N 2 2 374.452 2.200 20 30 FDEDLP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087476925 818393537 /nfs/dbraw/zinc/39/35/37/818393537.db2.gz MIDQOIPYESXJBW-PMACEKPBSA-N 2 2 355.482 1.698 20 30 FDEDLP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087476925 818393545 /nfs/dbraw/zinc/39/35/45/818393545.db2.gz MIDQOIPYESXJBW-PMACEKPBSA-N 2 2 355.482 1.698 20 30 FDEDLP Cn1c[nH+]c(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000459189850 820620858 /nfs/dbraw/zinc/62/08/58/820620858.db2.gz WTYWMDYTAUFHDH-UHFFFAOYSA-N 2 2 354.458 1.608 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087836690 822546437 /nfs/dbraw/zinc/54/64/37/822546437.db2.gz DOUJOIPEEXURAJ-ZCNNSNEGSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1ccccc1C#N ZINC001087836690 822546440 /nfs/dbraw/zinc/54/64/40/822546440.db2.gz DOUJOIPEEXURAJ-ZCNNSNEGSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1ccccc1C#N ZINC001087836690 822546443 /nfs/dbraw/zinc/54/64/43/822546443.db2.gz DOUJOIPEEXURAJ-ZCNNSNEGSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1ccccc1C#N ZINC001087836690 822546446 /nfs/dbraw/zinc/54/64/46/822546446.db2.gz DOUJOIPEEXURAJ-ZCNNSNEGSA-N 2 2 370.497 1.748 20 30 FDEDLP N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000895686618 822698807 /nfs/dbraw/zinc/69/88/07/822698807.db2.gz TWIXBWRTYYZNMA-QGZVFWFLSA-N 2 2 363.893 1.493 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969874 824265358 /nfs/dbraw/zinc/26/53/58/824265358.db2.gz SKSBNPLFPLQNRD-YSTOQKLRSA-N 2 2 366.509 1.958 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969874 824265365 /nfs/dbraw/zinc/26/53/65/824265365.db2.gz SKSBNPLFPLQNRD-YSTOQKLRSA-N 2 2 366.509 1.958 20 30 FDEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330247939 825764914 /nfs/dbraw/zinc/76/49/14/825764914.db2.gz FWGIWGNNNZSTHW-KSZLIROESA-N 2 2 374.533 1.602 20 30 FDEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330247939 825764920 /nfs/dbraw/zinc/76/49/20/825764920.db2.gz FWGIWGNNNZSTHW-KSZLIROESA-N 2 2 374.533 1.602 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)c(F)c1 ZINC001088219454 827538550 /nfs/dbraw/zinc/53/85/50/827538550.db2.gz DGARRLGEWCVIDL-AEFFLSMTSA-N 2 2 367.428 1.874 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)c(F)c1 ZINC001088219454 827538557 /nfs/dbraw/zinc/53/85/57/827538557.db2.gz DGARRLGEWCVIDL-AEFFLSMTSA-N 2 2 367.428 1.874 20 30 FDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCCCCNc2cccc[nH+]2)CC1 ZINC000303979440 827950606 /nfs/dbraw/zinc/95/06/06/827950606.db2.gz NEKWOAMSRSHIST-UHFFFAOYSA-N 2 2 362.478 1.799 20 30 FDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000528415845 829394440 /nfs/dbraw/zinc/39/44/40/829394440.db2.gz JXYMDDKKHINQCV-QFBILLFUSA-N 2 2 353.466 1.948 20 30 FDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000528415845 829394446 /nfs/dbraw/zinc/39/44/46/829394446.db2.gz JXYMDDKKHINQCV-QFBILLFUSA-N 2 2 353.466 1.948 20 30 FDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000528415845 829394456 /nfs/dbraw/zinc/39/44/56/829394456.db2.gz JXYMDDKKHINQCV-QFBILLFUSA-N 2 2 353.466 1.948 20 30 FDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000528415845 829394469 /nfs/dbraw/zinc/39/44/69/829394469.db2.gz JXYMDDKKHINQCV-QFBILLFUSA-N 2 2 353.466 1.948 20 30 FDEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000263095856 832369685 /nfs/dbraw/zinc/36/96/85/832369685.db2.gz JJDNENIGIKLPGD-UHFFFAOYSA-N 2 2 358.486 1.783 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088659174 839465156 /nfs/dbraw/zinc/46/51/56/839465156.db2.gz LGNOODWPXXIEGK-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccccc1C#N ZINC001088659174 839465184 /nfs/dbraw/zinc/46/51/84/839465184.db2.gz LGNOODWPXXIEGK-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccccc1C#N ZINC001088659174 839465187 /nfs/dbraw/zinc/46/51/87/839465187.db2.gz LGNOODWPXXIEGK-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccccc1C#N ZINC001088659174 839465193 /nfs/dbraw/zinc/46/51/93/839465193.db2.gz LGNOODWPXXIEGK-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474521 843423096 /nfs/dbraw/zinc/42/30/96/843423096.db2.gz MEVMQOVTKVDCIS-NMLBUPMWSA-N 2 2 373.472 1.069 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083474521 843423114 /nfs/dbraw/zinc/42/31/14/843423114.db2.gz MEVMQOVTKVDCIS-NMLBUPMWSA-N 2 2 373.472 1.069 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083474521 843423142 /nfs/dbraw/zinc/42/31/42/843423142.db2.gz MEVMQOVTKVDCIS-NMLBUPMWSA-N 2 2 373.472 1.069 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083474521 843423146 /nfs/dbraw/zinc/42/31/46/843423146.db2.gz MEVMQOVTKVDCIS-NMLBUPMWSA-N 2 2 373.472 1.069 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@H]1O ZINC001077159272 849955226 /nfs/dbraw/zinc/95/52/26/849955226.db2.gz WNUUZYJRBBTXGZ-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CC)cc2)C[C@H]1O ZINC001077159272 849955230 /nfs/dbraw/zinc/95/52/30/849955230.db2.gz WNUUZYJRBBTXGZ-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CC)cc2)C[C@H]1O ZINC001077159272 849955234 /nfs/dbraw/zinc/95/52/34/849955234.db2.gz WNUUZYJRBBTXGZ-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CC)cc2)C[C@H]1O ZINC001077159272 849955236 /nfs/dbraw/zinc/95/52/36/849955236.db2.gz WNUUZYJRBBTXGZ-HSALFYBXSA-N 2 2 355.482 1.008 20 30 FDEDLP C=CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000668910987 859222026 /nfs/dbraw/zinc/22/20/26/859222026.db2.gz NUADTGRLYZQDOM-DLBZAZTESA-N 2 2 362.518 1.086 20 30 FDEDLP C=CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000668910987 859222037 /nfs/dbraw/zinc/22/20/37/859222037.db2.gz NUADTGRLYZQDOM-DLBZAZTESA-N 2 2 362.518 1.086 20 30 FDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034324297 884195052 /nfs/dbraw/zinc/19/50/52/884195052.db2.gz UGLSGWHJAWUGRL-KSZLIROESA-N 2 2 351.491 1.023 20 30 FDEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078228666 898438875 /nfs/dbraw/zinc/43/88/75/898438875.db2.gz ZKMNFPSLQFUAPK-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078228666 898438881 /nfs/dbraw/zinc/43/88/81/898438881.db2.gz ZKMNFPSLQFUAPK-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078228666 898438886 /nfs/dbraw/zinc/43/88/86/898438886.db2.gz ZKMNFPSLQFUAPK-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078228666 898438891 /nfs/dbraw/zinc/43/88/91/898438891.db2.gz ZKMNFPSLQFUAPK-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(COC)cc2)C[C@H]1C ZINC001079878096 903599597 /nfs/dbraw/zinc/59/95/97/903599597.db2.gz GAJXCVXZRZVJIS-UIFIKXQLSA-N 2 2 369.509 1.867 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(COC)cc2)C[C@H]1C ZINC001079878096 903599613 /nfs/dbraw/zinc/59/96/13/903599613.db2.gz GAJXCVXZRZVJIS-UIFIKXQLSA-N 2 2 369.509 1.867 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(COC)cc2)C[C@H]1C ZINC001079878096 903599631 /nfs/dbraw/zinc/59/96/31/903599631.db2.gz GAJXCVXZRZVJIS-UIFIKXQLSA-N 2 2 369.509 1.867 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(COC)cc2)C[C@H]1C ZINC001079878096 903599636 /nfs/dbraw/zinc/59/96/36/903599636.db2.gz GAJXCVXZRZVJIS-UIFIKXQLSA-N 2 2 369.509 1.867 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1C#N ZINC001080138724 904780223 /nfs/dbraw/zinc/78/02/23/904780223.db2.gz OKFZAHKIXVZPJW-RDTXWAMCSA-N 2 2 367.453 1.709 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1C#N ZINC001080138724 904780235 /nfs/dbraw/zinc/78/02/35/904780235.db2.gz OKFZAHKIXVZPJW-RDTXWAMCSA-N 2 2 367.453 1.709 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001080139768 904787538 /nfs/dbraw/zinc/78/75/38/904787538.db2.gz WDNBAEDXMVUJPH-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001080139768 904787551 /nfs/dbraw/zinc/78/75/51/904787551.db2.gz WDNBAEDXMVUJPH-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000996788938 905527273 /nfs/dbraw/zinc/52/72/73/905527273.db2.gz IBWKHEMGSMYBGQ-OPQOLIRYSA-N 2 2 370.501 1.092 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082092614 905745235 /nfs/dbraw/zinc/74/52/35/905745235.db2.gz IANRKVDSQNNWFG-WOJBJXKFSA-N 2 2 355.482 1.195 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082092614 905745245 /nfs/dbraw/zinc/74/52/45/905745245.db2.gz IANRKVDSQNNWFG-WOJBJXKFSA-N 2 2 355.482 1.195 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082893242 910743670 /nfs/dbraw/zinc/74/36/70/910743670.db2.gz WGBNZGBJHIGUJQ-DNVCBOLYSA-N 2 2 351.454 1.861 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410304 911893642 /nfs/dbraw/zinc/89/36/42/911893642.db2.gz PXTBUSANIATIRN-VAMGGRTRSA-N 2 2 355.482 1.194 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410304 911893660 /nfs/dbraw/zinc/89/36/60/911893660.db2.gz PXTBUSANIATIRN-VAMGGRTRSA-N 2 2 355.482 1.194 20 30 FDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC001084723791 916539681 /nfs/dbraw/zinc/53/96/81/916539681.db2.gz YNRMIDIDCSMVRX-WOJBJXKFSA-N 2 2 368.481 1.313 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC001084723791 916539695 /nfs/dbraw/zinc/53/96/95/916539695.db2.gz YNRMIDIDCSMVRX-WOJBJXKFSA-N 2 2 368.481 1.313 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001129803242 938516866 /nfs/dbraw/zinc/51/68/66/938516866.db2.gz BPFHPJJWUMFBRO-OAGGEKHMSA-N 2 2 357.462 1.330 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130683146 939983043 /nfs/dbraw/zinc/98/30/43/939983043.db2.gz ZGPQGHBUKXRYCH-XYJFISCASA-N 2 2 354.458 1.175 20 30 FDEDLP CC[NH+]1CCN(c2ccc(-c3noc([C@H]([NH3+])CCCC#N)n3)cn2)CC1 ZINC000822957036 945334043 /nfs/dbraw/zinc/33/40/43/945334043.db2.gz VDUIQMPUTNNBMS-OAHLLOKOSA-N 2 2 355.446 1.967 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001131572333 940748400 /nfs/dbraw/zinc/74/84/00/940748400.db2.gz DVFHODWDASIZLB-POAQFYNOSA-N 2 2 358.486 1.843 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001087009561 953098754 /nfs/dbraw/zinc/09/87/54/953098754.db2.gz MMKFMHNHVUXQMQ-JKSUJKDBSA-N 2 2 362.865 1.262 20 30 FDEDLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087088269 953250426 /nfs/dbraw/zinc/25/04/26/953250426.db2.gz QTYTYOXXGJRFHK-IEBWSBKVSA-N 2 2 367.453 1.477 20 30 FDEDLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087103517 953276484 /nfs/dbraw/zinc/27/64/84/953276484.db2.gz KTPXIFSWHMGUBR-RTBURBONSA-N 2 2 367.453 1.408 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805595 953334976 /nfs/dbraw/zinc/33/49/76/953334976.db2.gz HRQOIHHNDUAXNI-DYVFJYSZSA-N 2 2 352.866 1.883 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805595 953334979 /nfs/dbraw/zinc/33/49/79/953334979.db2.gz HRQOIHHNDUAXNI-DYVFJYSZSA-N 2 2 352.866 1.883 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092062756 954181104 /nfs/dbraw/zinc/18/11/04/954181104.db2.gz BAECQOJOGBVPEE-QUCCMNQESA-N 2 2 361.530 1.988 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092062756 954181112 /nfs/dbraw/zinc/18/11/12/954181112.db2.gz BAECQOJOGBVPEE-QUCCMNQESA-N 2 2 361.530 1.988 20 30 FDEDLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197536025 972279288 /nfs/dbraw/zinc/27/92/88/972279288.db2.gz HOIIKCOYRVMRCK-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197536025 972279294 /nfs/dbraw/zinc/27/92/94/972279294.db2.gz HOIIKCOYRVMRCK-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197536025 972279299 /nfs/dbraw/zinc/27/92/99/972279299.db2.gz HOIIKCOYRVMRCK-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197536025 972279304 /nfs/dbraw/zinc/27/93/04/972279304.db2.gz HOIIKCOYRVMRCK-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@H]1CCCO1 ZINC000775788107 972441548 /nfs/dbraw/zinc/44/15/48/972441548.db2.gz CKRFLHATWYQBOR-WOJBJXKFSA-N 2 2 355.482 1.410 20 30 FDEDLP C#C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000773557228 963392216 /nfs/dbraw/zinc/39/22/16/963392216.db2.gz FFPYNGMUCMIIHO-ROUUACIJSA-N 2 2 362.518 1.417 20 30 FDEDLP C#CCC[NH+]1CCN(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000776593271 967275626 /nfs/dbraw/zinc/27/56/26/967275626.db2.gz FDGGOIKRBZWNRD-FQEVSTJZSA-N 2 2 368.525 1.533 20 30 FDEDLP C#CCCN(CCOC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000853790972 968323508 /nfs/dbraw/zinc/32/35/08/968323508.db2.gz ASZYBIDDKHZIED-UHFFFAOYSA-N 2 2 364.534 1.618 20 30 FDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193109842 969474731 /nfs/dbraw/zinc/47/47/31/969474731.db2.gz DJYWVTMZXKZYFH-QZTJIDSGSA-N 2 2 362.518 1.894 20 30 FDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193109842 969474736 /nfs/dbraw/zinc/47/47/36/969474736.db2.gz DJYWVTMZXKZYFH-QZTJIDSGSA-N 2 2 362.518 1.894 20 30 FDEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001194235294 970065377 /nfs/dbraw/zinc/06/53/77/970065377.db2.gz JGKYNSZRXLZMHO-IAGOWNOFSA-N 2 2 362.449 1.089 20 30 FDEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001194235294 970065385 /nfs/dbraw/zinc/06/53/85/970065385.db2.gz JGKYNSZRXLZMHO-IAGOWNOFSA-N 2 2 362.449 1.089 20 30 FDEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001194235294 970065397 /nfs/dbraw/zinc/06/53/97/970065397.db2.gz JGKYNSZRXLZMHO-IAGOWNOFSA-N 2 2 362.449 1.089 20 30 FDEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001194235294 970065408 /nfs/dbraw/zinc/06/54/08/970065408.db2.gz JGKYNSZRXLZMHO-IAGOWNOFSA-N 2 2 362.449 1.089 20 30 FDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001201736743 975150027 /nfs/dbraw/zinc/15/00/27/975150027.db2.gz CEOQUJYNOBSLES-MOPGFXCFSA-N 2 2 365.518 1.413 20 30 FDEDLP C=CCC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCO1 ZINC000883205219 982013775 /nfs/dbraw/zinc/01/37/75/982013775.db2.gz RKKXONKTMZAJQM-SQNIBIBYSA-N 2 2 351.491 1.023 20 30 FDEDLP CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371396 982099333 /nfs/dbraw/zinc/09/93/33/982099333.db2.gz IXFMYDRVZBNJSU-HXUWFJFHSA-N 2 2 371.529 1.510 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000884074443 982822887 /nfs/dbraw/zinc/82/28/87/982822887.db2.gz QBCDDJCOXJHEHN-KRWDZBQOSA-N 2 2 352.442 1.473 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000884074443 982822899 /nfs/dbraw/zinc/82/28/99/982822899.db2.gz QBCDDJCOXJHEHN-KRWDZBQOSA-N 2 2 352.442 1.473 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000884177939 982950146 /nfs/dbraw/zinc/95/01/46/982950146.db2.gz XNSCUUPZERFNSM-XTBIFASLSA-N 2 2 368.481 1.143 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000884177939 982950147 /nfs/dbraw/zinc/95/01/47/982950147.db2.gz XNSCUUPZERFNSM-XTBIFASLSA-N 2 2 368.481 1.143 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000884202460 982977678 /nfs/dbraw/zinc/97/76/78/982977678.db2.gz ZCJFCQXONKQTRZ-KRWDZBQOSA-N 2 2 351.491 1.594 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884328774 983089358 /nfs/dbraw/zinc/08/93/58/983089358.db2.gz XFJXSRFPGLEPDC-NJAFHUGGSA-N 2 2 359.470 1.460 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884328774 983089364 /nfs/dbraw/zinc/08/93/64/983089364.db2.gz XFJXSRFPGLEPDC-NJAFHUGGSA-N 2 2 359.470 1.460 20 30 FDEDLP C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366726862 988757692 /nfs/dbraw/zinc/75/76/92/988757692.db2.gz ZGGLJSKEDMZFTP-QFBILLFUSA-N 2 2 364.534 1.825 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372272369 990990080 /nfs/dbraw/zinc/99/00/80/990990080.db2.gz GZHUSPLYAPMWNT-GOSISDBHSA-N 2 2 351.454 1.908 20 30 FDEDLP CN(C)c1nc(N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc[nH+]1 ZINC000410378060 991282165 /nfs/dbraw/zinc/28/21/65/991282165.db2.gz KGJWSNFYPMZTAV-UHFFFAOYSA-N 2 2 358.490 1.765 20 30 FDEDLP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000949475022 1003375523 /nfs/dbraw/zinc/37/55/23/1003375523.db2.gz UQBCYJAUGGJBKD-IAGOWNOFSA-N 2 2 358.486 1.793 20 30 FDEDLP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000949475022 1003375533 /nfs/dbraw/zinc/37/55/33/1003375533.db2.gz UQBCYJAUGGJBKD-IAGOWNOFSA-N 2 2 358.486 1.793 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931285305 1004025892 /nfs/dbraw/zinc/02/58/92/1004025892.db2.gz JRFUSKGNFFLTIR-HXUWFJFHSA-N 2 2 373.497 1.679 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931285305 1004025904 /nfs/dbraw/zinc/02/59/04/1004025904.db2.gz JRFUSKGNFFLTIR-HXUWFJFHSA-N 2 2 373.497 1.679 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111021530 1004655914 /nfs/dbraw/zinc/65/59/14/1004655914.db2.gz XNQMFXYHUCMYNN-MKXGPGLRSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021530 1004655921 /nfs/dbraw/zinc/65/59/21/1004655921.db2.gz XNQMFXYHUCMYNN-MKXGPGLRSA-N 2 2 374.529 1.250 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021530 1004655924 /nfs/dbraw/zinc/65/59/24/1004655924.db2.gz XNQMFXYHUCMYNN-MKXGPGLRSA-N 2 2 374.529 1.250 20 30 FDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268187754 180020196 /nfs/dbraw/zinc/02/01/96/180020196.db2.gz UZFCGIQAVXAOEJ-OXJNMPFZSA-N 2 2 367.497 1.868 20 30 FDEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268187754 180020198 /nfs/dbraw/zinc/02/01/98/180020198.db2.gz UZFCGIQAVXAOEJ-OXJNMPFZSA-N 2 2 367.497 1.868 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000535963364 540532297 /nfs/dbraw/zinc/53/22/97/540532297.db2.gz MINMRYUEHAQUSG-HNNXBMFYSA-N 2 2 355.442 1.821 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000535963364 540532302 /nfs/dbraw/zinc/53/23/02/540532302.db2.gz MINMRYUEHAQUSG-HNNXBMFYSA-N 2 2 355.442 1.821 20 30 FDEDLP C=CCC[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000543603934 541619617 /nfs/dbraw/zinc/61/96/17/541619617.db2.gz ZMRDQVKTHOJRIM-INIZCTEOSA-N 2 2 352.504 1.478 20 30 FDEDLP CNC(=O)CN1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181478704 174228064 /nfs/dbraw/zinc/22/80/64/174228064.db2.gz CAHGYUTVGLYSCJ-UHFFFAOYSA-N 2 2 369.513 1.323 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000557234155 544266992 /nfs/dbraw/zinc/26/69/92/544266992.db2.gz KBGHNELNBMGWGV-INIZCTEOSA-N 2 2 364.534 1.522 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000333914295 259393477 /nfs/dbraw/zinc/39/34/77/259393477.db2.gz MJLROFMONPBLDM-SLFFLAALSA-N 2 2 367.497 1.774 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000076485879 523123857 /nfs/dbraw/zinc/12/38/57/523123857.db2.gz LCVCARQQHVXVGS-INIZCTEOSA-N 2 2 358.486 1.810 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000076485879 523123866 /nfs/dbraw/zinc/12/38/66/523123866.db2.gz LCVCARQQHVXVGS-INIZCTEOSA-N 2 2 358.486 1.810 20 30 FDEDLP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000122037225 524437211 /nfs/dbraw/zinc/43/72/11/524437211.db2.gz HWXYDQKNFVEGFY-GOSISDBHSA-N 2 2 369.513 1.228 20 30 FDEDLP CCC[NH+]1CCC(N2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)CC1 ZINC000112358374 524467812 /nfs/dbraw/zinc/46/78/12/524467812.db2.gz DDJJEIGROPBJDS-HXUWFJFHSA-N 2 2 363.550 1.533 20 30 FDEDLP CC1CCN(C(=[NH2+])NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000122484260 524547996 /nfs/dbraw/zinc/54/79/96/524547996.db2.gz FLNSAJDPGPXLJM-UHFFFAOYSA-N 2 2 358.490 1.167 20 30 FDEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CCN(c2ccccn2)CC1 ZINC000114069123 524741164 /nfs/dbraw/zinc/74/11/64/524741164.db2.gz XFZGZQNMZSKPEK-UHFFFAOYSA-N 2 2 363.469 1.669 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000177120778 525241943 /nfs/dbraw/zinc/24/19/43/525241943.db2.gz ANQQDPSKLOGVQG-VMPITWQZSA-N 2 2 356.470 1.744 20 30 FDEDLP CN(CC[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1)C1CC[NH+](C)CC1 ZINC000177375288 525282453 /nfs/dbraw/zinc/28/24/53/525282453.db2.gz VKYHYWKYAQGIQY-UHFFFAOYSA-N 2 2 363.550 1.629 20 30 FDEDLP CN(CC[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1)C1CC[NH+](C)CC1 ZINC000177375288 525282460 /nfs/dbraw/zinc/28/24/60/525282460.db2.gz VKYHYWKYAQGIQY-UHFFFAOYSA-N 2 2 363.550 1.629 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000177375288 525282466 /nfs/dbraw/zinc/28/24/66/525282466.db2.gz VKYHYWKYAQGIQY-UHFFFAOYSA-N 2 2 363.550 1.629 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000177375288 525282474 /nfs/dbraw/zinc/28/24/74/525282474.db2.gz VKYHYWKYAQGIQY-UHFFFAOYSA-N 2 2 363.550 1.629 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000154284281 525481781 /nfs/dbraw/zinc/48/17/81/525481781.db2.gz XUXWUELBTJBCMC-YOFSQIOKSA-N 3 2 358.530 1.101 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000154284281 525481788 /nfs/dbraw/zinc/48/17/88/525481788.db2.gz XUXWUELBTJBCMC-YOFSQIOKSA-N 3 2 358.530 1.101 20 30 FDEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131575239 525874191 /nfs/dbraw/zinc/87/41/91/525874191.db2.gz QZODQRHKUBGRCJ-QUCCMNQESA-N 2 2 360.498 1.809 20 30 FDEDLP CC(C)(CNC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCOCC1 ZINC000194538053 537293801 /nfs/dbraw/zinc/29/38/01/537293801.db2.gz AGDSSPSFXHKEPE-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP CC(C)(CNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCOCC1 ZINC000194538053 537293804 /nfs/dbraw/zinc/29/38/04/537293804.db2.gz AGDSSPSFXHKEPE-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000293152868 537371292 /nfs/dbraw/zinc/37/12/92/537371292.db2.gz VAULOWAHJGSJDW-UHFFFAOYSA-N 2 2 369.513 1.913 20 30 FDEDLP C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000576098219 550510162 /nfs/dbraw/zinc/51/01/62/550510162.db2.gz DNUFOUMOHINMKU-UHFFFAOYSA-N 2 2 368.485 1.760 20 30 FDEDLP C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000576098219 550510164 /nfs/dbraw/zinc/51/01/64/550510164.db2.gz DNUFOUMOHINMKU-UHFFFAOYSA-N 2 2 368.485 1.760 20 30 FDEDLP COC1CC[NH+](C2(CNC[C@@H](O)C[N@H+](C)CCC#N)CCCC2)CC1 ZINC000582900334 551278711 /nfs/dbraw/zinc/27/87/11/551278711.db2.gz LWGBMVROZAHOLF-QGZVFWFLSA-N 2 2 352.523 1.206 20 30 FDEDLP COC1CC[NH+](C2(CNC[C@@H](O)C[N@@H+](C)CCC#N)CCCC2)CC1 ZINC000582900334 551278713 /nfs/dbraw/zinc/27/87/13/551278713.db2.gz LWGBMVROZAHOLF-QGZVFWFLSA-N 2 2 352.523 1.206 20 30 FDEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583807422 551404663 /nfs/dbraw/zinc/40/46/63/551404663.db2.gz LFJSVJWVKQQDSQ-KRWDZBQOSA-N 2 2 364.515 1.685 20 30 FDEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583807422 551404665 /nfs/dbraw/zinc/40/46/65/551404665.db2.gz LFJSVJWVKQQDSQ-KRWDZBQOSA-N 2 2 364.515 1.685 20 30 FDEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583807423 551404875 /nfs/dbraw/zinc/40/48/75/551404875.db2.gz LFJSVJWVKQQDSQ-QGZVFWFLSA-N 2 2 364.515 1.685 20 30 FDEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583807423 551404877 /nfs/dbraw/zinc/40/48/77/551404877.db2.gz LFJSVJWVKQQDSQ-QGZVFWFLSA-N 2 2 364.515 1.685 20 30 FDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000594439401 552310511 /nfs/dbraw/zinc/31/05/11/552310511.db2.gz VIPWLXNZMQMZRA-RBUKOAKNSA-N 2 2 358.486 1.457 20 30 FDEDLP Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000594441702 552311154 /nfs/dbraw/zinc/31/11/54/552311154.db2.gz VLELHENVVKZZBA-INIZCTEOSA-N 2 2 358.490 1.968 20 30 FDEDLP Cc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]2CCOCC2)c1 ZINC000594441730 552311336 /nfs/dbraw/zinc/31/13/36/552311336.db2.gz VWDUJMHMCDHWSY-RBUKOAKNSA-N 2 2 358.486 1.896 20 30 FDEDLP Cn1nnc2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000594522970 552327249 /nfs/dbraw/zinc/32/72/49/552327249.db2.gz UFHRPDRNUOMSRV-SFHVURJKSA-N 2 2 350.470 1.798 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596828519 552715061 /nfs/dbraw/zinc/71/50/61/552715061.db2.gz LMYJSWZDONIBGN-KRWDZBQOSA-N 2 2 351.454 1.977 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596828519 552715063 /nfs/dbraw/zinc/71/50/63/552715063.db2.gz LMYJSWZDONIBGN-KRWDZBQOSA-N 2 2 351.454 1.977 20 30 FDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599401207 553046844 /nfs/dbraw/zinc/04/68/44/553046844.db2.gz OFJOFDPEDSMSNI-QZTJIDSGSA-N 2 2 351.491 1.102 20 30 FDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599401207 553046846 /nfs/dbraw/zinc/04/68/46/553046846.db2.gz OFJOFDPEDSMSNI-QZTJIDSGSA-N 2 2 351.491 1.102 20 30 FDEDLP N#Cc1c(F)cccc1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000602006195 553501080 /nfs/dbraw/zinc/50/10/80/553501080.db2.gz QSCMHOXRJXVWKS-UHFFFAOYSA-N 2 2 354.433 1.789 20 30 FDEDLP C[C@@H]1C[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)N1CC#N ZINC000602854174 553651209 /nfs/dbraw/zinc/65/12/09/553651209.db2.gz AGNRPNIFRSUMDO-QZTJIDSGSA-N 2 2 370.501 1.038 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000610503616 554520051 /nfs/dbraw/zinc/52/00/51/554520051.db2.gz RCIVHWMTZSJZCE-UHFFFAOYSA-N 2 2 353.470 1.921 20 30 FDEDLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000613994652 554995489 /nfs/dbraw/zinc/99/54/89/554995489.db2.gz AEOXVJJDAOIOBC-GASCZTMLSA-N 2 2 351.372 1.324 20 30 FDEDLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000613994652 554995490 /nfs/dbraw/zinc/99/54/90/554995490.db2.gz AEOXVJJDAOIOBC-GASCZTMLSA-N 2 2 351.372 1.324 20 30 FDEDLP C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329676009 676648901 /nfs/dbraw/zinc/64/89/01/676648901.db2.gz PINOSSWVEWEGEF-XESHVACXSA-N 2 2 370.563 1.300 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367289 777936251 /nfs/dbraw/zinc/93/62/51/777936251.db2.gz NZURVIIQPBDZLI-KZNAEPCWSA-N 2 2 358.486 1.170 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001022228699 778777829 /nfs/dbraw/zinc/77/78/29/778777829.db2.gz LJOQGOGRZXLKJF-YYIAUSFCSA-N 2 2 365.437 1.830 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@@H]4[C@H]5CCCC[NH+]5C[C@H]4C3)C2=O)cc1 ZINC000364274802 784949186 /nfs/dbraw/zinc/94/91/86/784949186.db2.gz YDGHOBGWEYCWFY-KANFNMMFSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3C[C@@H]4[C@H]5CCCC[NH+]5C[C@H]4C3)C2=O)cc1 ZINC000364274802 784949189 /nfs/dbraw/zinc/94/91/89/784949189.db2.gz YDGHOBGWEYCWFY-KANFNMMFSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([NH+]3C[C@@H]4[C@H]5CCCC[N@H+]5C[C@H]4C3)C2=O)cc1 ZINC000364274802 784949191 /nfs/dbraw/zinc/94/91/91/784949191.db2.gz YDGHOBGWEYCWFY-KANFNMMFSA-N 2 2 364.449 1.606 20 30 FDEDLP N#Cc1ccc(N2C(=O)C[C@H]([NH+]3C[C@@H]4[C@H]5CCCC[N@@H+]5C[C@H]4C3)C2=O)cc1 ZINC000364274802 784949197 /nfs/dbraw/zinc/94/91/97/784949197.db2.gz YDGHOBGWEYCWFY-KANFNMMFSA-N 2 2 364.449 1.606 20 30 FDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000644626150 792400234 /nfs/dbraw/zinc/40/02/34/792400234.db2.gz MNUIDAJVOLVJEO-IRXDYDNUSA-N 2 2 357.454 1.965 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377770798 792760199 /nfs/dbraw/zinc/76/01/99/792760199.db2.gz QHVOXOXMHAUCNJ-MSOLQXFVSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377770798 792760205 /nfs/dbraw/zinc/76/02/05/792760205.db2.gz QHVOXOXMHAUCNJ-MSOLQXFVSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377770798 792760213 /nfs/dbraw/zinc/76/02/13/792760213.db2.gz QHVOXOXMHAUCNJ-MSOLQXFVSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377770798 792760219 /nfs/dbraw/zinc/76/02/19/792760219.db2.gz QHVOXOXMHAUCNJ-MSOLQXFVSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CC[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H](C)COC ZINC000661245234 803096049 /nfs/dbraw/zinc/09/60/49/803096049.db2.gz ZIGFDZJHZXPOBI-GOSISDBHSA-N 2 2 367.534 1.661 20 30 FDEDLP C=CC[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H](C)COC ZINC000661245234 803096055 /nfs/dbraw/zinc/09/60/55/803096055.db2.gz ZIGFDZJHZXPOBI-GOSISDBHSA-N 2 2 367.534 1.661 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)s2)O1 ZINC001027966203 807129510 /nfs/dbraw/zinc/12/95/10/807129510.db2.gz LXNLHEDISLFZDS-JKIFEVAISA-N 2 2 362.499 1.419 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)s2)O1 ZINC001027966203 807129512 /nfs/dbraw/zinc/12/95/12/807129512.db2.gz LXNLHEDISLFZDS-JKIFEVAISA-N 2 2 362.499 1.419 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)O1 ZINC001027966203 807129514 /nfs/dbraw/zinc/12/95/14/807129514.db2.gz LXNLHEDISLFZDS-JKIFEVAISA-N 2 2 362.499 1.419 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)O1 ZINC001027966203 807129517 /nfs/dbraw/zinc/12/95/17/807129517.db2.gz LXNLHEDISLFZDS-JKIFEVAISA-N 2 2 362.499 1.419 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000515531657 816308511 /nfs/dbraw/zinc/30/85/11/816308511.db2.gz BEZZRCOBKYACNO-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000515531657 816308519 /nfs/dbraw/zinc/30/85/19/816308519.db2.gz BEZZRCOBKYACNO-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000516870961 817074487 /nfs/dbraw/zinc/07/44/87/817074487.db2.gz SPPKSOOOCMNBRP-SFHVURJKSA-N 2 2 359.470 1.124 20 30 FDEDLP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087473290 818210094 /nfs/dbraw/zinc/21/00/94/818210094.db2.gz XBOJWCDOIXCTBD-SLFFLAALSA-N 2 2 355.482 1.697 20 30 FDEDLP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087473290 818210103 /nfs/dbraw/zinc/21/01/03/818210103.db2.gz XBOJWCDOIXCTBD-SLFFLAALSA-N 2 2 355.482 1.697 20 30 FDEDLP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087473290 818210108 /nfs/dbraw/zinc/21/01/08/818210108.db2.gz XBOJWCDOIXCTBD-SLFFLAALSA-N 2 2 355.482 1.697 20 30 FDEDLP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087473290 818210117 /nfs/dbraw/zinc/21/01/17/818210117.db2.gz XBOJWCDOIXCTBD-SLFFLAALSA-N 2 2 355.482 1.697 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccn(CC)n3)[C@@H]2CC)CC1 ZINC001087840025 822558867 /nfs/dbraw/zinc/55/88/67/822558867.db2.gz DHNOUFSESFUDNE-VQTJNVASSA-N 2 2 371.529 1.717 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(CC)n3)[C@@H]2CC)CC1 ZINC001087840025 822558870 /nfs/dbraw/zinc/55/88/70/822558870.db2.gz DHNOUFSESFUDNE-VQTJNVASSA-N 2 2 371.529 1.717 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895686460 822698605 /nfs/dbraw/zinc/69/86/05/822698605.db2.gz RVZOAGGMCGBOJD-RTBURBONSA-N 2 2 364.534 1.472 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000329299795 824721649 /nfs/dbraw/zinc/72/16/49/824721649.db2.gz MCYLFOQNWDMARA-SFHVURJKSA-N 2 2 353.470 1.827 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000329299795 824721654 /nfs/dbraw/zinc/72/16/54/824721654.db2.gz MCYLFOQNWDMARA-SFHVURJKSA-N 2 2 353.470 1.827 20 30 FDEDLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000329318529 824732407 /nfs/dbraw/zinc/73/24/07/824732407.db2.gz SUFVISGMISZDLS-MRXNPFEDSA-N 2 2 365.522 1.013 20 30 FDEDLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329318529 824732414 /nfs/dbraw/zinc/73/24/14/824732414.db2.gz SUFVISGMISZDLS-MRXNPFEDSA-N 2 2 365.522 1.013 20 30 FDEDLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329318529 824732418 /nfs/dbraw/zinc/73/24/18/824732418.db2.gz SUFVISGMISZDLS-MRXNPFEDSA-N 2 2 365.522 1.013 20 30 FDEDLP C[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329441582 824795151 /nfs/dbraw/zinc/79/51/51/824795151.db2.gz NBVAGTHAWNHCDD-LSDHHAIUSA-N 2 2 363.506 1.408 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cscn3)CC[C@@H]2C1 ZINC001087997909 825072848 /nfs/dbraw/zinc/07/28/48/825072848.db2.gz GNXCPAHVWSPUPQ-RYRKJORJSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cscn3)CC[C@@H]2C1 ZINC001087997909 825072850 /nfs/dbraw/zinc/07/28/50/825072850.db2.gz GNXCPAHVWSPUPQ-RYRKJORJSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cscn3)CC[C@@H]2C1 ZINC001087997909 825072858 /nfs/dbraw/zinc/07/28/58/825072858.db2.gz GNXCPAHVWSPUPQ-RYRKJORJSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cscn3)CC[C@@H]2C1 ZINC001087997909 825072866 /nfs/dbraw/zinc/07/28/66/825072866.db2.gz GNXCPAHVWSPUPQ-RYRKJORJSA-N 2 2 358.511 1.521 20 30 FDEDLP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)CC2)c1 ZINC000329898847 825531358 /nfs/dbraw/zinc/53/13/58/825531358.db2.gz MNQNOAKBOFXTHU-INIZCTEOSA-N 2 2 354.458 1.885 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053494 825644560 /nfs/dbraw/zinc/64/45/60/825644560.db2.gz KTHATAUEXPKFDF-AABGKKOBSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053494 825644565 /nfs/dbraw/zinc/64/45/65/825644565.db2.gz KTHATAUEXPKFDF-AABGKKOBSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053494 825644571 /nfs/dbraw/zinc/64/45/71/825644571.db2.gz KTHATAUEXPKFDF-AABGKKOBSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053494 825644573 /nfs/dbraw/zinc/64/45/73/825644573.db2.gz KTHATAUEXPKFDF-AABGKKOBSA-N 2 2 359.514 1.291 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000330253848 825767645 /nfs/dbraw/zinc/76/76/45/825767645.db2.gz ARFIYKYNGUCQFH-CYBMUJFWSA-N 2 2 360.462 1.496 20 30 FDEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)c1 ZINC001088219749 827542795 /nfs/dbraw/zinc/54/27/95/827542795.db2.gz UHEFOBHOPKNFDD-AEFFLSMTSA-N 2 2 367.428 1.874 20 30 FDEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)c1 ZINC001088219749 827542798 /nfs/dbraw/zinc/54/27/98/827542798.db2.gz UHEFOBHOPKNFDD-AEFFLSMTSA-N 2 2 367.428 1.874 20 30 FDEDLP NC(=[NH+]OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(N2CCC(O)CC2)cc1 ZINC000842032413 840814017 /nfs/dbraw/zinc/81/40/17/840814017.db2.gz CKOFMSZXTJALES-KDURUIRLSA-N 2 2 374.485 1.148 20 30 FDEDLP NC(=[NH+]OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(N2CCC(O)CC2)cc1 ZINC000842032413 840814029 /nfs/dbraw/zinc/81/40/29/840814029.db2.gz CKOFMSZXTJALES-KDURUIRLSA-N 2 2 374.485 1.148 20 30 FDEDLP N#Cc1csc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000842039301 840862497 /nfs/dbraw/zinc/86/24/97/840862497.db2.gz NANMWFKJLNVUAO-HNNXBMFYSA-N 2 2 357.439 1.914 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105636707 842267995 /nfs/dbraw/zinc/26/79/95/842267995.db2.gz BUPOVMZRFPFTOU-IZBJGVDFSA-N 2 2 360.502 1.885 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105636707 842268004 /nfs/dbraw/zinc/26/80/04/842268004.db2.gz BUPOVMZRFPFTOU-IZBJGVDFSA-N 2 2 360.502 1.885 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076575348 848453867 /nfs/dbraw/zinc/45/38/67/848453867.db2.gz NBSJYJDPNIKWIO-PKOBYXMFSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001076575348 848453871 /nfs/dbraw/zinc/45/38/71/848453871.db2.gz NBSJYJDPNIKWIO-PKOBYXMFSA-N 2 2 367.428 1.935 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@H]1O ZINC001077159168 849955329 /nfs/dbraw/zinc/95/53/29/849955329.db2.gz RTSSCYUXNGXTIR-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@H]1O ZINC001077159168 849955333 /nfs/dbraw/zinc/95/53/33/849955333.db2.gz RTSSCYUXNGXTIR-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccc(C)cc2)C[C@H]1O ZINC001077159168 849955337 /nfs/dbraw/zinc/95/53/37/849955337.db2.gz RTSSCYUXNGXTIR-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccc(C)cc2)C[C@H]1O ZINC001077159168 849955341 /nfs/dbraw/zinc/95/53/41/849955341.db2.gz RTSSCYUXNGXTIR-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000905438448 851942076 /nfs/dbraw/zinc/94/20/76/851942076.db2.gz KIEMWUWVUAKCMK-UXHICEINSA-N 2 2 357.502 1.589 20 30 FDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000905438448 851942082 /nfs/dbraw/zinc/94/20/82/851942082.db2.gz KIEMWUWVUAKCMK-UXHICEINSA-N 2 2 357.502 1.589 20 30 FDEDLP C[NH+](CCC#N)C[C@@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000905438448 851942085 /nfs/dbraw/zinc/94/20/85/851942085.db2.gz KIEMWUWVUAKCMK-UXHICEINSA-N 2 2 357.502 1.589 20 30 FDEDLP C[NH+](CCC#N)C[C@@H](O)CNc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000905438448 851942092 /nfs/dbraw/zinc/94/20/92/851942092.db2.gz KIEMWUWVUAKCMK-UXHICEINSA-N 2 2 357.502 1.589 20 30 FDEDLP C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000668910993 859221327 /nfs/dbraw/zinc/22/13/27/859221327.db2.gz NUADTGRLYZQDOM-SJORKVTESA-N 2 2 362.518 1.086 20 30 FDEDLP C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000668910993 859221339 /nfs/dbraw/zinc/22/13/39/859221339.db2.gz NUADTGRLYZQDOM-SJORKVTESA-N 2 2 362.518 1.086 20 30 FDEDLP C=CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000668910991 859221677 /nfs/dbraw/zinc/22/16/77/859221677.db2.gz NUADTGRLYZQDOM-IRXDYDNUSA-N 2 2 362.518 1.086 20 30 FDEDLP C=CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000668910991 859221686 /nfs/dbraw/zinc/22/16/86/859221686.db2.gz NUADTGRLYZQDOM-IRXDYDNUSA-N 2 2 362.518 1.086 20 30 FDEDLP C[NH+]=C(NCc1c(C)noc1C)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000171617137 865272838 /nfs/dbraw/zinc/27/28/38/865272838.db2.gz HJDOKBZMWPMNOF-UHFFFAOYSA-N 2 2 363.506 1.992 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704942 876880816 /nfs/dbraw/zinc/88/08/16/876880816.db2.gz KGPIOZIKEQXQLR-HZPDHXFCSA-N 2 2 361.490 1.061 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001106828909 879235563 /nfs/dbraw/zinc/23/55/63/879235563.db2.gz RQXUUIJOTXRZQS-IEBWSBKVSA-N 2 2 366.465 1.820 20 30 FDEDLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083168988 912435782 /nfs/dbraw/zinc/43/57/82/912435782.db2.gz XJRCBPSQSWWNDT-SLFFLAALSA-N 2 2 368.481 1.454 20 30 FDEDLP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083168988 912435793 /nfs/dbraw/zinc/43/57/93/912435793.db2.gz XJRCBPSQSWWNDT-SLFFLAALSA-N 2 2 368.481 1.454 20 30 FDEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083168988 912435799 /nfs/dbraw/zinc/43/57/99/912435799.db2.gz XJRCBPSQSWWNDT-SLFFLAALSA-N 2 2 368.481 1.454 20 30 FDEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083168988 912435811 /nfs/dbraw/zinc/43/58/11/912435811.db2.gz XJRCBPSQSWWNDT-SLFFLAALSA-N 2 2 368.481 1.454 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000919965683 886473548 /nfs/dbraw/zinc/47/35/48/886473548.db2.gz ILGAHJYCUKYXRY-UHFFFAOYSA-N 2 2 354.498 1.718 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000923580118 889958101 /nfs/dbraw/zinc/95/81/01/889958101.db2.gz YKSOIJHZSIHPOJ-QGZVFWFLSA-N 2 2 360.527 1.877 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000923580118 889958106 /nfs/dbraw/zinc/95/81/06/889958106.db2.gz YKSOIJHZSIHPOJ-QGZVFWFLSA-N 2 2 360.527 1.877 20 30 FDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000940912218 893458610 /nfs/dbraw/zinc/45/86/10/893458610.db2.gz NIUUTJWKPNVXJZ-SQNIBIBYSA-N 2 2 365.518 1.269 20 30 FDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000940912218 893458618 /nfs/dbraw/zinc/45/86/18/893458618.db2.gz NIUUTJWKPNVXJZ-SQNIBIBYSA-N 2 2 365.518 1.269 20 30 FDEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244956 902252132 /nfs/dbraw/zinc/25/21/32/902252132.db2.gz OJBQFMJSDCGKDZ-ZWKOTPCHSA-N 2 2 358.486 1.858 20 30 FDEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244956 902252141 /nfs/dbraw/zinc/25/21/41/902252141.db2.gz OJBQFMJSDCGKDZ-ZWKOTPCHSA-N 2 2 358.486 1.858 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245792 902256007 /nfs/dbraw/zinc/25/60/07/902256007.db2.gz HUEOFJFBRMPZMN-VXIBKDFQSA-N 2 2 368.481 1.476 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245792 902256029 /nfs/dbraw/zinc/25/60/29/902256029.db2.gz HUEOFJFBRMPZMN-VXIBKDFQSA-N 2 2 368.481 1.476 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079272097 902334947 /nfs/dbraw/zinc/33/49/47/902334947.db2.gz BPJSAPSHOMNYON-RBUKOAKNSA-N 2 2 370.497 1.315 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001081680787 904928723 /nfs/dbraw/zinc/92/87/23/904928723.db2.gz KMPHZPDQXCCPGV-BRSBDYLESA-N 2 2 358.486 1.545 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001081680787 904928727 /nfs/dbraw/zinc/92/87/27/904928727.db2.gz KMPHZPDQXCCPGV-BRSBDYLESA-N 2 2 358.486 1.545 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133820 905933657 /nfs/dbraw/zinc/93/36/57/905933657.db2.gz RFWZQRYJWIWAGF-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133820 905933659 /nfs/dbraw/zinc/93/36/59/905933659.db2.gz RFWZQRYJWIWAGF-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082133820 905933666 /nfs/dbraw/zinc/93/36/66/905933666.db2.gz RFWZQRYJWIWAGF-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082133820 905933672 /nfs/dbraw/zinc/93/36/72/905933672.db2.gz RFWZQRYJWIWAGF-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@H]2C)CC1 ZINC001080997402 906969897 /nfs/dbraw/zinc/96/98/97/906969897.db2.gz BSZRCTQDNPMPSW-DNVCBOLYSA-N 2 2 358.461 1.502 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cn3)C[C@H]2C)CC1 ZINC001080997402 906969903 /nfs/dbraw/zinc/96/99/03/906969903.db2.gz BSZRCTQDNPMPSW-DNVCBOLYSA-N 2 2 358.461 1.502 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)CC1 ZINC001080997807 906972804 /nfs/dbraw/zinc/97/28/04/906972804.db2.gz KYHILEROYLICQL-CRAIPNDOSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]2C)CC1 ZINC001080997807 906972810 /nfs/dbraw/zinc/97/28/10/906972810.db2.gz KYHILEROYLICQL-CRAIPNDOSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+]3CCOCC3)CCCC1)C2 ZINC001112539356 906996977 /nfs/dbraw/zinc/99/69/77/906996977.db2.gz WDGHLKPDJMECPS-ICSRJNTNSA-N 2 2 359.514 1.483 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082590285 908848270 /nfs/dbraw/zinc/84/82/70/908848270.db2.gz MZVFZJAWNAPWOU-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082590285 908848285 /nfs/dbraw/zinc/84/82/85/908848285.db2.gz MZVFZJAWNAPWOU-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409268 911722934 /nfs/dbraw/zinc/72/29/34/911722934.db2.gz BISQYWPEEOPDPF-BRWVUGGUSA-N 2 2 362.499 1.275 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409268 911722941 /nfs/dbraw/zinc/72/29/41/911722941.db2.gz BISQYWPEEOPDPF-BRWVUGGUSA-N 2 2 362.499 1.275 20 30 FDEDLP C[NH+](C)CC1CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000732569684 919809225 /nfs/dbraw/zinc/80/92/25/919809225.db2.gz VNPRBSJQCGBORJ-MRXNPFEDSA-N 2 2 367.453 1.785 20 30 FDEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231370 925711429 /nfs/dbraw/zinc/71/14/29/925711429.db2.gz SPYLITMTPORSSK-URVUXULASA-N 2 2 369.509 1.562 20 30 FDEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231370 925711436 /nfs/dbraw/zinc/71/14/36/925711436.db2.gz SPYLITMTPORSSK-URVUXULASA-N 2 2 369.509 1.562 20 30 FDEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231370 925711444 /nfs/dbraw/zinc/71/14/44/925711444.db2.gz SPYLITMTPORSSK-URVUXULASA-N 2 2 369.509 1.562 20 30 FDEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231370 925711446 /nfs/dbraw/zinc/71/14/46/925711446.db2.gz SPYLITMTPORSSK-URVUXULASA-N 2 2 369.509 1.562 20 30 FDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(S(C)(=O)=O)CC2)CC1 ZINC001169896566 928951733 /nfs/dbraw/zinc/95/17/33/928951733.db2.gz HTORSHQCGOJFDD-UHFFFAOYSA-N 2 2 369.575 1.634 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635840 929985901 /nfs/dbraw/zinc/98/59/01/929985901.db2.gz VMGLFQNZEIZSGK-MHORFTMASA-N 2 2 362.518 1.132 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635840 929985907 /nfs/dbraw/zinc/98/59/07/929985907.db2.gz VMGLFQNZEIZSGK-MHORFTMASA-N 2 2 362.518 1.132 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635840 929985908 /nfs/dbraw/zinc/98/59/08/929985908.db2.gz VMGLFQNZEIZSGK-MHORFTMASA-N 2 2 362.518 1.132 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635840 929985914 /nfs/dbraw/zinc/98/59/14/929985914.db2.gz VMGLFQNZEIZSGK-MHORFTMASA-N 2 2 362.518 1.132 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646253 930000661 /nfs/dbraw/zinc/00/06/61/930000661.db2.gz OWYQFBRZJMGNPS-SIXLDLHFSA-N 2 2 374.485 1.367 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646253 930000666 /nfs/dbraw/zinc/00/06/66/930000666.db2.gz OWYQFBRZJMGNPS-SIXLDLHFSA-N 2 2 374.485 1.367 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109890184 930692371 /nfs/dbraw/zinc/69/23/71/930692371.db2.gz KXHIVZWOFCNMDB-QYZOEREBSA-N 2 2 365.437 1.252 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109890184 930692374 /nfs/dbraw/zinc/69/23/74/930692374.db2.gz KXHIVZWOFCNMDB-QYZOEREBSA-N 2 2 365.437 1.252 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001109958193 930873398 /nfs/dbraw/zinc/87/33/98/930873398.db2.gz YNAQZVKKBHBGRY-YDZRNGNQSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001109958193 930873407 /nfs/dbraw/zinc/87/34/07/930873407.db2.gz YNAQZVKKBHBGRY-YDZRNGNQSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001109958193 930873410 /nfs/dbraw/zinc/87/34/10/930873410.db2.gz YNAQZVKKBHBGRY-YDZRNGNQSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001109958193 930873416 /nfs/dbraw/zinc/87/34/16/930873416.db2.gz YNAQZVKKBHBGRY-YDZRNGNQSA-N 2 2 374.529 1.112 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563320 931600025 /nfs/dbraw/zinc/60/00/25/931600025.db2.gz QNOYPYSDCKFHPT-JXFKEZNVSA-N 2 2 358.486 1.555 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001129938447 938565147 /nfs/dbraw/zinc/56/51/47/938565147.db2.gz ZELWJGWYZVEZLY-SJORKVTESA-N 2 2 354.458 1.830 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131117580 940504319 /nfs/dbraw/zinc/50/43/19/940504319.db2.gz FSBABOCHKHZPSY-IAGOWNOFSA-N 2 2 356.474 1.247 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001131522645 940706004 /nfs/dbraw/zinc/70/60/04/940706004.db2.gz REMDTXRRJSZPBC-SXLOBPIMSA-N 2 2 370.497 1.455 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001131572971 940749009 /nfs/dbraw/zinc/74/90/09/940749009.db2.gz PNMBWVVRNDIOCB-HQRMLTQVSA-N 2 2 358.486 1.843 20 30 FDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000813837774 941484271 /nfs/dbraw/zinc/48/42/71/941484271.db2.gz WFJREJNVXUAZCJ-INIZCTEOSA-N 2 2 366.506 1.258 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110104181 944587725 /nfs/dbraw/zinc/58/77/25/944587725.db2.gz JJQISZLPJUBBFV-SQNIBIBYSA-N 2 2 371.485 1.114 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110104181 944587727 /nfs/dbraw/zinc/58/77/27/944587727.db2.gz JJQISZLPJUBBFV-SQNIBIBYSA-N 2 2 371.485 1.114 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cnc2[nH]cc([S@@](C)=O)c21 ZINC001171068539 946775737 /nfs/dbraw/zinc/77/57/37/946775737.db2.gz NSIZCCXZLCYOJP-JPQMIFPKSA-N 2 2 365.459 1.286 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001171070720 946853601 /nfs/dbraw/zinc/85/36/01/946853601.db2.gz IPTLQLRZWVZEEM-HNNXBMFYSA-N 2 2 358.446 1.918 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001091565657 952093238 /nfs/dbraw/zinc/09/32/38/952093238.db2.gz UXNHWJYJYMYQIR-SBHAEUEKSA-N 2 2 368.481 1.169 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001091565657 952093245 /nfs/dbraw/zinc/09/32/45/952093245.db2.gz UXNHWJYJYMYQIR-SBHAEUEKSA-N 2 2 368.481 1.169 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001091565657 952093249 /nfs/dbraw/zinc/09/32/49/952093249.db2.gz UXNHWJYJYMYQIR-SBHAEUEKSA-N 2 2 368.481 1.169 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001091565657 952093256 /nfs/dbraw/zinc/09/32/56/952093256.db2.gz UXNHWJYJYMYQIR-SBHAEUEKSA-N 2 2 368.481 1.169 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nocc3C)C[C@@]2(C)C1 ZINC001091749288 952788097 /nfs/dbraw/zinc/78/80/97/952788097.db2.gz HUKBWWLSNLBPDL-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nocc3C)C[C@@]2(C)C1 ZINC001091749288 952788101 /nfs/dbraw/zinc/78/81/01/952788101.db2.gz HUKBWWLSNLBPDL-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nocc3C)C[C@@]2(C)C1 ZINC001091749288 952788104 /nfs/dbraw/zinc/78/81/04/952788104.db2.gz HUKBWWLSNLBPDL-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nocc3C)C[C@@]2(C)C1 ZINC001091749288 952788107 /nfs/dbraw/zinc/78/81/07/952788107.db2.gz HUKBWWLSNLBPDL-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001092319898 954832299 /nfs/dbraw/zinc/83/22/99/954832299.db2.gz WHCJZKIFAIJUKT-XLIONFOSSA-N 2 2 367.428 1.874 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001092319898 954832307 /nfs/dbraw/zinc/83/23/07/954832307.db2.gz WHCJZKIFAIJUKT-XLIONFOSSA-N 2 2 367.428 1.874 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725603 956181901 /nfs/dbraw/zinc/18/19/01/956181901.db2.gz RXFGCMFZPBCODB-NMFUWQPSSA-N 2 2 374.323 1.298 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725603 956181907 /nfs/dbraw/zinc/18/19/07/956181907.db2.gz RXFGCMFZPBCODB-NMFUWQPSSA-N 2 2 374.323 1.298 20 30 FDEDLP C=C(Br)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725603 956181910 /nfs/dbraw/zinc/18/19/10/956181910.db2.gz RXFGCMFZPBCODB-NMFUWQPSSA-N 2 2 374.323 1.298 20 30 FDEDLP C=C(Br)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725603 956181913 /nfs/dbraw/zinc/18/19/13/956181913.db2.gz RXFGCMFZPBCODB-NMFUWQPSSA-N 2 2 374.323 1.298 20 30 FDEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001183042805 962754588 /nfs/dbraw/zinc/75/45/88/962754588.db2.gz FHHILEPKYVZXGM-UHFFFAOYSA-N 2 2 360.506 1.503 20 30 FDEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001183042805 962754606 /nfs/dbraw/zinc/75/46/06/962754606.db2.gz FHHILEPKYVZXGM-UHFFFAOYSA-N 2 2 360.506 1.503 20 30 FDEDLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830565 963299637 /nfs/dbraw/zinc/29/96/37/963299637.db2.gz FPOMEVSLBOFEPR-PMACEKPBSA-N 2 2 370.497 1.702 20 30 FDEDLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830565 963299650 /nfs/dbraw/zinc/29/96/50/963299650.db2.gz FPOMEVSLBOFEPR-PMACEKPBSA-N 2 2 370.497 1.702 20 30 FDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000852360389 967250423 /nfs/dbraw/zinc/25/04/23/967250423.db2.gz XXFDAEGTMNBDNH-FQEVSTJZSA-N 2 2 371.529 1.057 20 30 FDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000852360389 967250426 /nfs/dbraw/zinc/25/04/26/967250426.db2.gz XXFDAEGTMNBDNH-FQEVSTJZSA-N 2 2 371.529 1.057 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CN(C)CC[NH+]1Cc1ccccc1 ZINC000852360389 967250427 /nfs/dbraw/zinc/25/04/27/967250427.db2.gz XXFDAEGTMNBDNH-FQEVSTJZSA-N 2 2 371.529 1.057 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CN(C)CC[NH+]1Cc1ccccc1 ZINC000852360389 967250429 /nfs/dbraw/zinc/25/04/29/967250429.db2.gz XXFDAEGTMNBDNH-FQEVSTJZSA-N 2 2 371.529 1.057 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661413 967840127 /nfs/dbraw/zinc/84/01/27/967840127.db2.gz RVYFTPRGWFJANA-AKHDSKFASA-N 2 2 374.529 1.417 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661413 967840144 /nfs/dbraw/zinc/84/01/44/967840144.db2.gz RVYFTPRGWFJANA-AKHDSKFASA-N 2 2 374.529 1.417 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110661413 967840162 /nfs/dbraw/zinc/84/01/62/967840162.db2.gz RVYFTPRGWFJANA-AKHDSKFASA-N 2 2 374.529 1.417 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110661413 967840175 /nfs/dbraw/zinc/84/01/75/967840175.db2.gz RVYFTPRGWFJANA-AKHDSKFASA-N 2 2 374.529 1.417 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1O ZINC001193849641 969895804 /nfs/dbraw/zinc/89/58/04/969895804.db2.gz MQDUTGHKVCXRJQ-QHAWAJNXSA-N 2 2 369.509 1.268 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCc2ccccc2)C[C@H]1O ZINC001193849641 969895811 /nfs/dbraw/zinc/89/58/11/969895811.db2.gz MQDUTGHKVCXRJQ-QHAWAJNXSA-N 2 2 369.509 1.268 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCc2ccccc2)C[C@H]1O ZINC001193849641 969895815 /nfs/dbraw/zinc/89/58/15/969895815.db2.gz MQDUTGHKVCXRJQ-QHAWAJNXSA-N 2 2 369.509 1.268 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCc2ccccc2)C[C@H]1O ZINC001193849641 969895821 /nfs/dbraw/zinc/89/58/21/969895821.db2.gz MQDUTGHKVCXRJQ-QHAWAJNXSA-N 2 2 369.509 1.268 20 30 FDEDLP Cn1cc(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)c(C#N)n1 ZINC001198018377 972644759 /nfs/dbraw/zinc/64/47/59/972644759.db2.gz OPUDDUDROYQYKJ-UHFFFAOYSA-N 2 2 354.458 1.928 20 30 FDEDLP Cn1cc(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)c(C#N)n1 ZINC001198018377 972644766 /nfs/dbraw/zinc/64/47/66/972644766.db2.gz OPUDDUDROYQYKJ-UHFFFAOYSA-N 2 2 354.458 1.928 20 30 FDEDLP CN(CCc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000868288802 977452307 /nfs/dbraw/zinc/45/23/07/977452307.db2.gz GCIXBKKBGRIRCU-LJQANCHMSA-N 2 2 369.513 1.911 20 30 FDEDLP CN(CCc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000868288802 977452312 /nfs/dbraw/zinc/45/23/12/977452312.db2.gz GCIXBKKBGRIRCU-LJQANCHMSA-N 2 2 369.513 1.911 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754399 982237314 /nfs/dbraw/zinc/23/73/14/982237314.db2.gz LIYCZJAVPNMEFA-BDXSIMOUSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754399 982237323 /nfs/dbraw/zinc/23/73/23/982237323.db2.gz LIYCZJAVPNMEFA-BDXSIMOUSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754399 982237330 /nfs/dbraw/zinc/23/73/30/982237330.db2.gz LIYCZJAVPNMEFA-BDXSIMOUSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754399 982237338 /nfs/dbraw/zinc/23/73/38/982237338.db2.gz LIYCZJAVPNMEFA-BDXSIMOUSA-N 2 2 362.518 1.131 20 30 FDEDLP CN1CC[NH+](Cc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)c2)CC1 ZINC000884234802 983010749 /nfs/dbraw/zinc/01/07/49/983010749.db2.gz FEDSBVKNMZUCBD-WBTXTPOCSA-N 2 2 367.497 1.512 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOc3ccc(C#N)cc3)C2)CC1 ZINC000369790548 989178445 /nfs/dbraw/zinc/17/84/45/989178445.db2.gz MTRYFQGQERPJPT-QGZVFWFLSA-N 2 2 371.485 1.405 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOc3ccc(C#N)cc3)C2)CC1 ZINC000369790548 989178450 /nfs/dbraw/zinc/17/84/50/989178450.db2.gz MTRYFQGQERPJPT-QGZVFWFLSA-N 2 2 371.485 1.405 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000876759685 992882267 /nfs/dbraw/zinc/88/22/67/992882267.db2.gz QFBAGNYNIHHDDD-DLBZAZTESA-N 2 2 351.878 1.516 20 30 FDEDLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782058 992909319 /nfs/dbraw/zinc/90/93/19/992909319.db2.gz MPINZESNIKVXEB-OXQOHEQNSA-N 2 2 369.513 1.135 20 30 FDEDLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782058 992909322 /nfs/dbraw/zinc/90/93/22/992909322.db2.gz MPINZESNIKVXEB-OXQOHEQNSA-N 2 2 369.513 1.135 20 30 FDEDLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876882522 992947853 /nfs/dbraw/zinc/94/78/53/992947853.db2.gz KEWCCIBISIDJPR-ZRGWGRIASA-N 2 2 356.470 1.313 20 30 FDEDLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876882522 992947857 /nfs/dbraw/zinc/94/78/57/992947857.db2.gz KEWCCIBISIDJPR-ZRGWGRIASA-N 2 2 356.470 1.313 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1nc(C)no1 ZINC001095556311 993440251 /nfs/dbraw/zinc/44/02/51/993440251.db2.gz KWCIGBRQUBXSSK-OWSLCNJRSA-N 2 2 371.485 1.130 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCc1nc(C)no1 ZINC001095556311 993440270 /nfs/dbraw/zinc/44/02/70/993440270.db2.gz KWCIGBRQUBXSSK-OWSLCNJRSA-N 2 2 371.485 1.130 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCc1nc(C)no1 ZINC001095556311 993440286 /nfs/dbraw/zinc/44/02/86/993440286.db2.gz KWCIGBRQUBXSSK-OWSLCNJRSA-N 2 2 371.485 1.130 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCc1nc(C)no1 ZINC001095556311 993440293 /nfs/dbraw/zinc/44/02/93/993440293.db2.gz KWCIGBRQUBXSSK-OWSLCNJRSA-N 2 2 371.485 1.130 20 30 FDEDLP C=C(Cl)C[C@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925328867 995501228 /nfs/dbraw/zinc/50/12/28/995501228.db2.gz IRYLLYZWXITQNF-OAHLLOKOSA-N 2 2 368.909 2.000 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111021809 1004705312 /nfs/dbraw/zinc/70/53/12/1004705312.db2.gz FGIVOXWWPFYBGN-ISARSNTHSA-N 2 2 356.470 1.125 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111021809 1004705320 /nfs/dbraw/zinc/70/53/20/1004705320.db2.gz FGIVOXWWPFYBGN-ISARSNTHSA-N 2 2 356.470 1.125 20 30 FDEDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1F ZINC000512631191 538977850 /nfs/dbraw/zinc/97/78/50/538977850.db2.gz PUVOUXUFFOGTRW-GDBMZVCRSA-N 2 2 360.433 1.281 20 30 FDEDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000528729798 539780127 /nfs/dbraw/zinc/78/01/27/539780127.db2.gz JNQDOOIRMBOTOK-LJQANCHMSA-N 2 2 373.497 1.679 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132917 540814449 /nfs/dbraw/zinc/81/44/49/540814449.db2.gz FJMIOMUPCAIZRL-LPHOPBHVSA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132917 540814453 /nfs/dbraw/zinc/81/44/53/540814453.db2.gz FJMIOMUPCAIZRL-LPHOPBHVSA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000538132917 540814457 /nfs/dbraw/zinc/81/44/57/540814457.db2.gz FJMIOMUPCAIZRL-LPHOPBHVSA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538132917 540814459 /nfs/dbraw/zinc/81/44/59/540814459.db2.gz FJMIOMUPCAIZRL-LPHOPBHVSA-N 2 2 351.539 1.387 20 30 FDEDLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000367574274 260063416 /nfs/dbraw/zinc/06/34/16/260063416.db2.gz HBESRBDGGPROAY-RXVVDRJESA-N 2 2 371.529 1.632 20 30 FDEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368435407 260182981 /nfs/dbraw/zinc/18/29/81/260182981.db2.gz LPUSDWBHMIHGLX-LJQANCHMSA-N 2 2 355.486 1.868 20 30 FDEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368435407 260182983 /nfs/dbraw/zinc/18/29/83/260182983.db2.gz LPUSDWBHMIHGLX-LJQANCHMSA-N 2 2 355.486 1.868 20 30 FDEDLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000072694588 522360066 /nfs/dbraw/zinc/36/00/66/522360066.db2.gz FATLRNSFGXURGL-LJQANCHMSA-N 2 2 358.486 1.907 20 30 FDEDLP N#CC1CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000060893550 522423613 /nfs/dbraw/zinc/42/36/13/522423613.db2.gz ZTIAZJDIDGHSMM-UHFFFAOYSA-N 2 2 356.470 1.371 20 30 FDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000047029065 522429052 /nfs/dbraw/zinc/42/90/52/522429052.db2.gz ZGJBVBHVCCTPKO-MRXNPFEDSA-N 2 2 352.442 1.671 20 30 FDEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112201005 524423219 /nfs/dbraw/zinc/42/32/19/524423219.db2.gz ZALKWYPSYHYAMG-OAHLLOKOSA-N 2 2 362.499 1.993 20 30 FDEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112201005 524423231 /nfs/dbraw/zinc/42/32/31/524423231.db2.gz ZALKWYPSYHYAMG-OAHLLOKOSA-N 2 2 362.499 1.993 20 30 FDEDLP CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160040797 524795098 /nfs/dbraw/zinc/79/50/98/524795098.db2.gz CRAQNTXUUCNJPA-QFBILLFUSA-N 2 2 374.533 1.990 20 30 FDEDLP CC[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160080254 524803983 /nfs/dbraw/zinc/80/39/83/524803983.db2.gz CZNHHONIQYUEFU-HZPDHXFCSA-N 2 2 370.505 1.860 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375071 525283191 /nfs/dbraw/zinc/28/31/91/525283191.db2.gz GGCOYRHUEQTGRB-QGZVFWFLSA-N 2 2 363.550 1.675 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375071 525283202 /nfs/dbraw/zinc/28/32/02/525283202.db2.gz GGCOYRHUEQTGRB-QGZVFWFLSA-N 2 2 363.550 1.675 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177375071 525283211 /nfs/dbraw/zinc/28/32/11/525283211.db2.gz GGCOYRHUEQTGRB-QGZVFWFLSA-N 2 2 363.550 1.675 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177375071 525283217 /nfs/dbraw/zinc/28/32/17/525283217.db2.gz GGCOYRHUEQTGRB-QGZVFWFLSA-N 2 2 363.550 1.675 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000153850269 525343643 /nfs/dbraw/zinc/34/36/43/525343643.db2.gz DADZLSFTQVUKDK-AZUAARDMSA-N 2 2 369.513 1.421 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC1 ZINC000129311683 525641050 /nfs/dbraw/zinc/64/10/50/525641050.db2.gz PYDLDCAJZFJGEJ-RTWAWAEBSA-N 2 2 367.493 1.443 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC1 ZINC000129311683 525641059 /nfs/dbraw/zinc/64/10/59/525641059.db2.gz PYDLDCAJZFJGEJ-RTWAWAEBSA-N 2 2 367.493 1.443 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188304895 536289386 /nfs/dbraw/zinc/28/93/86/536289386.db2.gz OMLMGEOMZSMGTC-WIYYLYMNSA-N 2 2 372.513 1.563 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188304895 536289387 /nfs/dbraw/zinc/28/93/87/536289387.db2.gz OMLMGEOMZSMGTC-WIYYLYMNSA-N 2 2 372.513 1.563 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188304895 536289388 /nfs/dbraw/zinc/28/93/88/536289388.db2.gz OMLMGEOMZSMGTC-WIYYLYMNSA-N 2 2 372.513 1.563 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188304895 536289389 /nfs/dbraw/zinc/28/93/89/536289389.db2.gz OMLMGEOMZSMGTC-WIYYLYMNSA-N 2 2 372.513 1.563 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000286333180 537432481 /nfs/dbraw/zinc/43/24/81/537432481.db2.gz AREODUKOZSNFLX-LJQANCHMSA-N 2 2 370.497 1.268 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000286333180 537432484 /nfs/dbraw/zinc/43/24/84/537432484.db2.gz AREODUKOZSNFLX-LJQANCHMSA-N 2 2 370.497 1.268 20 30 FDEDLP Cc1cnn([C@@H]2CC[NH+](CC#CC[N@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289869945 537610104 /nfs/dbraw/zinc/61/01/04/537610104.db2.gz LROBCXDQZOCOJZ-BGYRXZFFSA-N 2 2 352.486 1.894 20 30 FDEDLP Cc1cnn([C@@H]2CC[NH+](CC#CC[N@@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289869945 537610112 /nfs/dbraw/zinc/61/01/12/537610112.db2.gz LROBCXDQZOCOJZ-BGYRXZFFSA-N 2 2 352.486 1.894 20 30 FDEDLP Cc1cnn([C@@H]2CC[N@@H+](CC#CC[NH+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289869945 537610116 /nfs/dbraw/zinc/61/01/16/537610116.db2.gz LROBCXDQZOCOJZ-BGYRXZFFSA-N 2 2 352.486 1.894 20 30 FDEDLP Cc1cnn([C@@H]2CC[N@H+](CC#CC[NH+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289869945 537610119 /nfs/dbraw/zinc/61/01/19/537610119.db2.gz LROBCXDQZOCOJZ-BGYRXZFFSA-N 2 2 352.486 1.894 20 30 FDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C1CCOCC1 ZINC000330226295 537651729 /nfs/dbraw/zinc/65/17/29/537651729.db2.gz UKFXIWSEONJFSK-LPHOPBHVSA-N 2 2 361.490 1.829 20 30 FDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)C1CCOCC1 ZINC000330226295 537651730 /nfs/dbraw/zinc/65/17/30/537651730.db2.gz UKFXIWSEONJFSK-LPHOPBHVSA-N 2 2 361.490 1.829 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000376092530 537833505 /nfs/dbraw/zinc/83/35/05/537833505.db2.gz FSQHKFCPNNJSQJ-RTBURBONSA-N 2 2 365.481 1.525 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000376092530 537833512 /nfs/dbraw/zinc/83/35/12/537833512.db2.gz FSQHKFCPNNJSQJ-RTBURBONSA-N 2 2 365.481 1.525 20 30 FDEDLP C[C@H](C#N)S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000416446634 537843269 /nfs/dbraw/zinc/84/32/69/537843269.db2.gz QCCLSNHDSOUMSI-PVAVHDDUSA-N 2 2 356.536 1.497 20 30 FDEDLP C[C@H](C#N)S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000416446634 537843278 /nfs/dbraw/zinc/84/32/78/537843278.db2.gz QCCLSNHDSOUMSI-PVAVHDDUSA-N 2 2 356.536 1.497 20 30 FDEDLP C=CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410899918 538008058 /nfs/dbraw/zinc/00/80/58/538008058.db2.gz OFXSNOKDESFUTC-ZWKOTPCHSA-N 2 2 364.534 1.426 20 30 FDEDLP C=CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410899918 538008062 /nfs/dbraw/zinc/00/80/62/538008062.db2.gz OFXSNOKDESFUTC-ZWKOTPCHSA-N 2 2 364.534 1.426 20 30 FDEDLP C=CCc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000565470402 547361675 /nfs/dbraw/zinc/36/16/75/547361675.db2.gz QSMNIMAHCGRIHR-INIZCTEOSA-N 2 2 362.474 1.217 20 30 FDEDLP C=CCc1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000565470402 547361682 /nfs/dbraw/zinc/36/16/82/547361682.db2.gz QSMNIMAHCGRIHR-INIZCTEOSA-N 2 2 362.474 1.217 20 30 FDEDLP C[C@H](C(=O)NC(C)(C)C)[NH+](C)CC#CC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000568967795 548748675 /nfs/dbraw/zinc/74/86/75/548748675.db2.gz KOKYQGUXRDVACV-HZPDHXFCSA-N 2 2 366.550 1.460 20 30 FDEDLP C[C@H](C(=O)NC(C)(C)C)[NH+](C)CC#CC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000568967795 548748677 /nfs/dbraw/zinc/74/86/77/548748677.db2.gz KOKYQGUXRDVACV-HZPDHXFCSA-N 2 2 366.550 1.460 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cnc12 ZINC000574586336 550338142 /nfs/dbraw/zinc/33/81/42/550338142.db2.gz BZEWLLOWPQSONM-UHFFFAOYSA-N 2 2 362.437 1.723 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585716894 551586745 /nfs/dbraw/zinc/58/67/45/551586745.db2.gz AWOPFJHWNSACRB-RTBURBONSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585716894 551586746 /nfs/dbraw/zinc/58/67/46/551586746.db2.gz AWOPFJHWNSACRB-RTBURBONSA-N 2 2 359.470 1.485 20 30 FDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005081 551756111 /nfs/dbraw/zinc/75/61/11/551756111.db2.gz JSIAWNYQCVUYHS-PMACEKPBSA-N 2 2 366.465 1.899 20 30 FDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005081 551756114 /nfs/dbraw/zinc/75/61/14/551756114.db2.gz JSIAWNYQCVUYHS-PMACEKPBSA-N 2 2 366.465 1.899 20 30 FDEDLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005081 551756115 /nfs/dbraw/zinc/75/61/15/551756115.db2.gz JSIAWNYQCVUYHS-PMACEKPBSA-N 2 2 366.465 1.899 20 30 FDEDLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005081 551756118 /nfs/dbraw/zinc/75/61/18/551756118.db2.gz JSIAWNYQCVUYHS-PMACEKPBSA-N 2 2 366.465 1.899 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C[NH3+])C1 ZINC000591277621 551855726 /nfs/dbraw/zinc/85/57/26/551855726.db2.gz SDCXFWUSCBIJOY-INIZCTEOSA-N 2 2 366.425 1.852 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C[NH3+])C1 ZINC000591277621 551855727 /nfs/dbraw/zinc/85/57/27/551855727.db2.gz SDCXFWUSCBIJOY-INIZCTEOSA-N 2 2 366.425 1.852 20 30 FDEDLP Cc1cccc([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]2CCOCC2)c1 ZINC000594441726 552311118 /nfs/dbraw/zinc/31/11/18/552311118.db2.gz VWDUJMHMCDHWSY-MOPGFXCFSA-N 2 2 358.486 1.896 20 30 FDEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2=O)cc1 ZINC000594503768 552326576 /nfs/dbraw/zinc/32/65/76/552326576.db2.gz BIRAQLIVNZFRQM-PMACEKPBSA-N 2 2 368.481 1.897 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000596972934 552730487 /nfs/dbraw/zinc/73/04/87/552730487.db2.gz HLORDDYDMZYBIE-SFHVURJKSA-N 2 2 351.454 1.908 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](CC(C[N@H+]2CC[C@@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850939 553650753 /nfs/dbraw/zinc/65/07/53/553650753.db2.gz INEGGMPKCVHTHI-SFTDATJTSA-N 2 2 368.481 1.471 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](CC(C[N@@H+]2CC[C@@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850939 553650754 /nfs/dbraw/zinc/65/07/54/553650754.db2.gz INEGGMPKCVHTHI-SFTDATJTSA-N 2 2 368.481 1.471 20 30 FDEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000602876167 553657311 /nfs/dbraw/zinc/65/73/11/553657311.db2.gz FQGNSNCGVCAUQX-AZUAARDMSA-N 2 2 356.470 1.442 20 30 FDEDLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000602876167 553657313 /nfs/dbraw/zinc/65/73/13/553657313.db2.gz FQGNSNCGVCAUQX-AZUAARDMSA-N 2 2 356.470 1.442 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC000602913041 553667498 /nfs/dbraw/zinc/66/74/98/553667498.db2.gz QQRUJFKDHIIEGC-MRXNPFEDSA-N 2 2 355.486 1.685 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000610216720 554475119 /nfs/dbraw/zinc/47/51/19/554475119.db2.gz JIPYIMBFLNXLCM-RBUKOAKNSA-N 2 2 359.470 1.146 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000610216720 554475120 /nfs/dbraw/zinc/47/51/20/554475120.db2.gz JIPYIMBFLNXLCM-RBUKOAKNSA-N 2 2 359.470 1.146 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618824419 555683277 /nfs/dbraw/zinc/68/32/77/555683277.db2.gz RKQBTTZHQZEMMW-IBGZPJMESA-N 2 2 355.486 1.871 20 30 FDEDLP N#Cc1ccc(N2CCC[C@@H]([NH+]3CCN(c4[nH]cc[nH+]4)CC3)C2=O)cc1 ZINC000618903282 555693034 /nfs/dbraw/zinc/69/30/34/555693034.db2.gz RRQPXWNEGSMNRR-QGZVFWFLSA-N 2 2 350.426 1.599 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000632986872 558237485 /nfs/dbraw/zinc/23/74/85/558237485.db2.gz OBJDRRXUTUNZKG-UHFFFAOYSA-N 2 2 372.517 1.387 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000083093977 671471050 /nfs/dbraw/zinc/47/10/50/671471050.db2.gz OHCQEVSZDCUTKF-HOCLYGCPSA-N 3 2 361.559 1.896 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000083093977 671471052 /nfs/dbraw/zinc/47/10/52/671471052.db2.gz OHCQEVSZDCUTKF-HOCLYGCPSA-N 3 2 361.559 1.896 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083093977 671471054 /nfs/dbraw/zinc/47/10/54/671471054.db2.gz OHCQEVSZDCUTKF-HOCLYGCPSA-N 3 2 361.559 1.896 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083093977 671471056 /nfs/dbraw/zinc/47/10/56/671471056.db2.gz OHCQEVSZDCUTKF-HOCLYGCPSA-N 3 2 361.559 1.896 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261942047 672698148 /nfs/dbraw/zinc/69/81/48/672698148.db2.gz DRYHYCUETTVKAG-JTDSTZFVSA-N 2 2 352.523 1.562 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261942047 672698154 /nfs/dbraw/zinc/69/81/54/672698154.db2.gz DRYHYCUETTVKAG-JTDSTZFVSA-N 2 2 352.523 1.562 20 30 FDEDLP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988204 672707576 /nfs/dbraw/zinc/70/75/76/672707576.db2.gz QRWIDJWEUHWUCE-HNNXBMFYSA-N 2 2 358.552 1.335 20 30 FDEDLP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988204 672707580 /nfs/dbraw/zinc/70/75/80/672707580.db2.gz QRWIDJWEUHWUCE-HNNXBMFYSA-N 2 2 358.552 1.335 20 30 FDEDLP C(#CC[N@@H+]1CCS[C@@H]2COCC[C@H]21)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000372697452 677961954 /nfs/dbraw/zinc/96/19/54/677961954.db2.gz XVQPTRCLQNBIQP-XMTFNYHQSA-N 2 2 368.568 1.402 20 30 FDEDLP C(#CC[N@H+]1CCS[C@@H]2COCC[C@H]21)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000372697452 677961956 /nfs/dbraw/zinc/96/19/56/677961956.db2.gz XVQPTRCLQNBIQP-XMTFNYHQSA-N 2 2 368.568 1.402 20 30 FDEDLP C(#CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)C[NH+]1CCS[C@@H]2COCC[C@H]21 ZINC000372697452 677961957 /nfs/dbraw/zinc/96/19/57/677961957.db2.gz XVQPTRCLQNBIQP-XMTFNYHQSA-N 2 2 368.568 1.402 20 30 FDEDLP C(#CC[N@H+]1CCS[C@@H]2COCC[C@@H]21)C[NH+]1CCS[C@@H]2COCC[C@H]21 ZINC000372697452 677961961 /nfs/dbraw/zinc/96/19/61/677961961.db2.gz XVQPTRCLQNBIQP-XMTFNYHQSA-N 2 2 368.568 1.402 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378500267 794221834 /nfs/dbraw/zinc/22/18/34/794221834.db2.gz XDRBUUACKGIJDH-SFHVURJKSA-N 2 2 356.470 1.382 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378500267 794221848 /nfs/dbraw/zinc/22/18/48/794221848.db2.gz XDRBUUACKGIJDH-SFHVURJKSA-N 2 2 356.470 1.382 20 30 FDEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097108 795262792 /nfs/dbraw/zinc/26/27/92/795262792.db2.gz JFJPMRKFVASNBH-IAGOWNOFSA-N 2 2 361.490 1.040 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000067232798 810686057 /nfs/dbraw/zinc/68/60/57/810686057.db2.gz KYHRRSZTVICOHB-UHFFFAOYSA-N 2 2 368.481 1.358 20 30 FDEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000420388196 813639808 /nfs/dbraw/zinc/63/98/08/813639808.db2.gz WYXOSAACKBELGM-QGZVFWFLSA-N 2 2 356.474 1.861 20 30 FDEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000420388196 813639812 /nfs/dbraw/zinc/63/98/12/813639812.db2.gz WYXOSAACKBELGM-QGZVFWFLSA-N 2 2 356.474 1.861 20 30 FDEDLP Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(c3cc(C)cc[nH+]3)CC2)n1C ZINC000261972181 817871071 /nfs/dbraw/zinc/87/10/71/817871071.db2.gz NCSZXNUZJIUDBY-UHFFFAOYSA-N 2 2 368.489 1.257 20 30 FDEDLP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087473291 818210367 /nfs/dbraw/zinc/21/03/67/818210367.db2.gz XBOJWCDOIXCTBD-UFYCRDLUSA-N 2 2 355.482 1.697 20 30 FDEDLP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087473291 818210370 /nfs/dbraw/zinc/21/03/70/818210370.db2.gz XBOJWCDOIXCTBD-UFYCRDLUSA-N 2 2 355.482 1.697 20 30 FDEDLP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087473291 818210380 /nfs/dbraw/zinc/21/03/80/818210380.db2.gz XBOJWCDOIXCTBD-UFYCRDLUSA-N 2 2 355.482 1.697 20 30 FDEDLP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087473291 818210385 /nfs/dbraw/zinc/21/03/85/818210385.db2.gz XBOJWCDOIXCTBD-UFYCRDLUSA-N 2 2 355.482 1.697 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)cc2C)[C@@H]1CC ZINC001087607015 821713268 /nfs/dbraw/zinc/71/32/68/821713268.db2.gz GCOCPXKCDSDGPP-ZCNNSNEGSA-N 2 2 371.529 1.567 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2nc(C)cc2C)[C@@H]1CC ZINC001087607015 821713270 /nfs/dbraw/zinc/71/32/70/821713270.db2.gz GCOCPXKCDSDGPP-ZCNNSNEGSA-N 2 2 371.529 1.567 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2nc(C)cc2C)[C@@H]1CC ZINC001087607015 821713271 /nfs/dbraw/zinc/71/32/71/821713271.db2.gz GCOCPXKCDSDGPP-ZCNNSNEGSA-N 2 2 371.529 1.567 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2nc(C)cc2C)[C@@H]1CC ZINC001087607015 821713275 /nfs/dbraw/zinc/71/32/75/821713275.db2.gz GCOCPXKCDSDGPP-ZCNNSNEGSA-N 2 2 371.529 1.567 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799400 822454371 /nfs/dbraw/zinc/45/43/71/822454371.db2.gz SGGDMGPNKGWIJY-UONOGXRCSA-N 2 2 356.308 1.960 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799400 822454372 /nfs/dbraw/zinc/45/43/72/822454372.db2.gz SGGDMGPNKGWIJY-UONOGXRCSA-N 2 2 356.308 1.960 20 30 FDEDLP C#CC[NH+]1CCC(Nc2nc(NC3CC[NH+](CC#C)CC3)c(C)c[nH+]2)CC1 ZINC000895808368 822754053 /nfs/dbraw/zinc/75/40/53/822754053.db2.gz GWEMSUPJDLNPOJ-UHFFFAOYSA-N 3 2 366.513 1.804 20 30 FDEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000329058926 824549958 /nfs/dbraw/zinc/54/99/58/824549958.db2.gz UGEFKBMLUWPZRF-TWMKSMIVSA-N 2 2 368.522 1.193 20 30 FDEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000329058926 824549960 /nfs/dbraw/zinc/54/99/60/824549960.db2.gz UGEFKBMLUWPZRF-TWMKSMIVSA-N 2 2 368.522 1.193 20 30 FDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000329058926 824549961 /nfs/dbraw/zinc/54/99/61/824549961.db2.gz UGEFKBMLUWPZRF-TWMKSMIVSA-N 2 2 368.522 1.193 20 30 FDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000329058926 824549962 /nfs/dbraw/zinc/54/99/62/824549962.db2.gz UGEFKBMLUWPZRF-TWMKSMIVSA-N 2 2 368.522 1.193 20 30 FDEDLP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000329063396 824551623 /nfs/dbraw/zinc/55/16/23/824551623.db2.gz OGADCZBVVMKDRF-ROUUACIJSA-N 2 2 368.522 1.195 20 30 FDEDLP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000329063396 824551626 /nfs/dbraw/zinc/55/16/26/824551626.db2.gz OGADCZBVVMKDRF-ROUUACIJSA-N 2 2 368.522 1.195 20 30 FDEDLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000329329569 824738769 /nfs/dbraw/zinc/73/87/69/824738769.db2.gz YMKPVSHJHDIPCP-IEBWSBKVSA-N 2 2 358.486 1.628 20 30 FDEDLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000329329569 824738776 /nfs/dbraw/zinc/73/87/76/824738776.db2.gz YMKPVSHJHDIPCP-IEBWSBKVSA-N 2 2 358.486 1.628 20 30 FDEDLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329329569 824738781 /nfs/dbraw/zinc/73/87/81/824738781.db2.gz YMKPVSHJHDIPCP-IEBWSBKVSA-N 2 2 358.486 1.628 20 30 FDEDLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329329569 824738787 /nfs/dbraw/zinc/73/87/87/824738787.db2.gz YMKPVSHJHDIPCP-IEBWSBKVSA-N 2 2 358.486 1.628 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000330009838 825592538 /nfs/dbraw/zinc/59/25/38/825592538.db2.gz HORGGXDTPNTAMW-AWEZNQCLSA-N 2 2 373.505 1.411 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001088233879 827597594 /nfs/dbraw/zinc/59/75/94/827597594.db2.gz CAVDDWACUBQWFX-GUDVDZBRSA-N 2 2 370.497 1.866 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001088233879 827597605 /nfs/dbraw/zinc/59/76/05/827597605.db2.gz CAVDDWACUBQWFX-GUDVDZBRSA-N 2 2 370.497 1.866 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001088233879 827597613 /nfs/dbraw/zinc/59/76/13/827597613.db2.gz CAVDDWACUBQWFX-GUDVDZBRSA-N 2 2 370.497 1.866 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001088233879 827597621 /nfs/dbraw/zinc/59/76/21/827597621.db2.gz CAVDDWACUBQWFX-GUDVDZBRSA-N 2 2 370.497 1.866 20 30 FDEDLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528519470 829434747 /nfs/dbraw/zinc/43/47/47/829434747.db2.gz NJZHYERNRXZSOH-GOSISDBHSA-N 2 2 361.486 1.370 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088619375 837405645 /nfs/dbraw/zinc/40/56/45/837405645.db2.gz JSQCOPWYTJIJQI-PVAVHDDUSA-N 2 2 355.910 1.961 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088619375 837405651 /nfs/dbraw/zinc/40/56/51/837405651.db2.gz JSQCOPWYTJIJQI-PVAVHDDUSA-N 2 2 355.910 1.961 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088619375 837405660 /nfs/dbraw/zinc/40/56/60/837405660.db2.gz JSQCOPWYTJIJQI-PVAVHDDUSA-N 2 2 355.910 1.961 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088619375 837405666 /nfs/dbraw/zinc/40/56/66/837405666.db2.gz JSQCOPWYTJIJQI-PVAVHDDUSA-N 2 2 355.910 1.961 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000246003844 835791371 /nfs/dbraw/zinc/79/13/71/835791371.db2.gz JNRCOJYFDHAJMI-FHWLQOOXSA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000246003844 835791386 /nfs/dbraw/zinc/79/13/86/835791386.db2.gz JNRCOJYFDHAJMI-FHWLQOOXSA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000246003844 835791400 /nfs/dbraw/zinc/79/14/00/835791400.db2.gz JNRCOJYFDHAJMI-FHWLQOOXSA-N 2 2 361.534 1.095 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000246003844 835791410 /nfs/dbraw/zinc/79/14/10/835791410.db2.gz JNRCOJYFDHAJMI-FHWLQOOXSA-N 2 2 361.534 1.095 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(CO)cc2)[C@@H]1C ZINC001088631287 838603747 /nfs/dbraw/zinc/60/37/47/838603747.db2.gz CRNGCPJGCSVQNT-UXPWSPDFSA-N 2 2 355.482 1.356 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)[C@@H]1C ZINC001088631287 838603754 /nfs/dbraw/zinc/60/37/54/838603754.db2.gz CRNGCPJGCSVQNT-UXPWSPDFSA-N 2 2 355.482 1.356 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CO)cc2)[C@@H]1C ZINC001088631287 838603765 /nfs/dbraw/zinc/60/37/65/838603765.db2.gz CRNGCPJGCSVQNT-UXPWSPDFSA-N 2 2 355.482 1.356 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CO)cc2)[C@@H]1C ZINC001088631287 838603771 /nfs/dbraw/zinc/60/37/71/838603771.db2.gz CRNGCPJGCSVQNT-UXPWSPDFSA-N 2 2 355.482 1.356 20 30 FDEDLP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CCO2 ZINC001105473121 838679652 /nfs/dbraw/zinc/67/96/52/838679652.db2.gz OJHMTMJVLFFCKK-MUZJZNNISA-N 2 2 356.470 1.666 20 30 FDEDLP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CCO2 ZINC001105473121 838679658 /nfs/dbraw/zinc/67/96/58/838679658.db2.gz OJHMTMJVLFFCKK-MUZJZNNISA-N 2 2 356.470 1.666 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105622462 842246779 /nfs/dbraw/zinc/24/67/79/842246779.db2.gz BALFXJWCRMKEAY-SMOSDQRPSA-N 2 2 358.486 1.332 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105654993 842481047 /nfs/dbraw/zinc/48/10/47/842481047.db2.gz COARBBRUWZZIEW-IZBJGVDFSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088762887 843460926 /nfs/dbraw/zinc/46/09/26/843460926.db2.gz ALWBOAZNUGPRMO-BDXSIMOUSA-N 2 2 351.491 1.021 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088762887 843460939 /nfs/dbraw/zinc/46/09/39/843460939.db2.gz ALWBOAZNUGPRMO-BDXSIMOUSA-N 2 2 351.491 1.021 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000923596030 868949798 /nfs/dbraw/zinc/94/97/98/868949798.db2.gz YXKKAXNJDUAYGO-IBGZPJMESA-N 2 2 351.454 1.823 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000923596030 868949808 /nfs/dbraw/zinc/94/98/08/868949808.db2.gz YXKKAXNJDUAYGO-IBGZPJMESA-N 2 2 351.454 1.823 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129003791 884991274 /nfs/dbraw/zinc/99/12/74/884991274.db2.gz HNTWNFRKAVDFGS-BBWFWOEESA-N 2 2 371.489 1.606 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129003791 884991275 /nfs/dbraw/zinc/99/12/75/884991275.db2.gz HNTWNFRKAVDFGS-BBWFWOEESA-N 2 2 371.489 1.606 20 30 FDEDLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000918906294 885005859 /nfs/dbraw/zinc/00/58/59/885005859.db2.gz MITJGYZVVOXESI-GOSISDBHSA-N 2 2 355.486 1.834 20 30 FDEDLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000918906294 885005880 /nfs/dbraw/zinc/00/58/80/885005880.db2.gz MITJGYZVVOXESI-GOSISDBHSA-N 2 2 355.486 1.834 20 30 FDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679002 887343537 /nfs/dbraw/zinc/34/35/37/887343537.db2.gz BNAFWOVUUQGXIS-SJORKVTESA-N 2 2 355.910 1.534 20 30 FDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000940912216 893458383 /nfs/dbraw/zinc/45/83/83/893458383.db2.gz NIUUTJWKPNVXJZ-FGTMMUONSA-N 2 2 365.518 1.269 20 30 FDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000940912216 893458387 /nfs/dbraw/zinc/45/83/87/893458387.db2.gz NIUUTJWKPNVXJZ-FGTMMUONSA-N 2 2 365.518 1.269 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084231973 913782317 /nfs/dbraw/zinc/78/23/17/913782317.db2.gz QLGJBOCZZUXSIQ-MISYRCLQSA-N 2 2 355.457 1.804 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084231973 913782329 /nfs/dbraw/zinc/78/23/29/913782329.db2.gz QLGJBOCZZUXSIQ-MISYRCLQSA-N 2 2 355.457 1.804 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084231973 913782335 /nfs/dbraw/zinc/78/23/35/913782335.db2.gz QLGJBOCZZUXSIQ-MISYRCLQSA-N 2 2 355.457 1.804 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084231973 913782341 /nfs/dbraw/zinc/78/23/41/913782341.db2.gz QLGJBOCZZUXSIQ-MISYRCLQSA-N 2 2 355.457 1.804 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cccc(F)c1 ZINC001079188979 902139861 /nfs/dbraw/zinc/13/98/61/902139861.db2.gz BIBCAYFOUPRIPV-FFZOFVMBSA-N 2 2 366.440 1.802 20 30 FDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC000996077555 903096634 /nfs/dbraw/zinc/09/66/34/903096634.db2.gz GONQIGWOSASUGH-SQNIBIBYSA-N 2 2 365.518 1.269 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082134084 905936757 /nfs/dbraw/zinc/93/67/57/905936757.db2.gz ZJHQJQHAFKTIEV-KFKAGJAMSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082134084 905936761 /nfs/dbraw/zinc/93/67/61/905936761.db2.gz ZJHQJQHAFKTIEV-KFKAGJAMSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082134084 905936765 /nfs/dbraw/zinc/93/67/65/905936765.db2.gz ZJHQJQHAFKTIEV-KFKAGJAMSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082134084 905936768 /nfs/dbraw/zinc/93/67/68/905936768.db2.gz ZJHQJQHAFKTIEV-KFKAGJAMSA-N 2 2 356.470 1.358 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]2C)CC1 ZINC001080998215 906975857 /nfs/dbraw/zinc/97/58/57/906975857.db2.gz WDUUISTYXRBESJ-RHSMWYFYSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]2C)CC1 ZINC001080998215 906975866 /nfs/dbraw/zinc/97/58/66/906975866.db2.gz WDUUISTYXRBESJ-RHSMWYFYSA-N 2 2 360.527 1.733 20 30 FDEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077765173 907689724 /nfs/dbraw/zinc/68/97/24/907689724.db2.gz AGWHOXSQNPHJOB-QZTJIDSGSA-N 2 2 367.453 1.240 20 30 FDEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077765173 907689735 /nfs/dbraw/zinc/68/97/35/907689735.db2.gz AGWHOXSQNPHJOB-QZTJIDSGSA-N 2 2 367.453 1.240 20 30 FDEDLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)cc1C#N ZINC001082492378 908011118 /nfs/dbraw/zinc/01/11/18/908011118.db2.gz RCKHPGGLVGLBRT-RHSMWYFYSA-N 2 2 367.453 1.859 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001082525323 908258251 /nfs/dbraw/zinc/25/82/51/908258251.db2.gz JZEUVIVWDDGVKE-HFBAOOFYSA-N 2 2 351.882 1.979 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001082525323 908258279 /nfs/dbraw/zinc/25/82/79/908258279.db2.gz JZEUVIVWDDGVKE-HFBAOOFYSA-N 2 2 351.882 1.979 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082659147 909430229 /nfs/dbraw/zinc/43/02/29/909430229.db2.gz WIZUBONWQCKPEX-CRAIPNDOSA-N 2 2 351.454 1.861 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnoc3C)[C@H]2C1 ZINC001084961129 918906503 /nfs/dbraw/zinc/90/65/03/918906503.db2.gz MTVCGICUVUZHHO-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cnoc3C)[C@H]2C1 ZINC001084961129 918906509 /nfs/dbraw/zinc/90/65/09/918906509.db2.gz MTVCGICUVUZHHO-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnoc3C)[C@H]2C1 ZINC001084961129 918906513 /nfs/dbraw/zinc/90/65/13/918906513.db2.gz MTVCGICUVUZHHO-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnoc3C)[C@H]2C1 ZINC001084961129 918906520 /nfs/dbraw/zinc/90/65/20/918906520.db2.gz MTVCGICUVUZHHO-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1oc(C)nc1C ZINC001085229818 922983425 /nfs/dbraw/zinc/98/34/25/922983425.db2.gz LWIZVECBBOFKDW-KURKYZTESA-N 2 2 358.486 1.906 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1oc(C)nc1C ZINC001085229818 922983431 /nfs/dbraw/zinc/98/34/31/922983431.db2.gz LWIZVECBBOFKDW-KURKYZTESA-N 2 2 358.486 1.906 20 30 FDEDLP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000788489070 932712883 /nfs/dbraw/zinc/71/28/83/932712883.db2.gz UUDFDEQCAQABME-UHFFFAOYSA-N 2 2 362.499 1.206 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129917066 938553860 /nfs/dbraw/zinc/55/38/60/938553860.db2.gz KECZODZKPREDFW-ZACQAIPSSA-N 2 2 369.473 1.045 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129917614 938554468 /nfs/dbraw/zinc/55/44/68/938554468.db2.gz YPLNLNDEPRYQQD-JQHSSLGASA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902653 938561708 /nfs/dbraw/zinc/56/17/08/938561708.db2.gz WWOQDCMRMDXKEA-KURKYZTESA-N 2 2 371.489 1.680 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130637948 939940297 /nfs/dbraw/zinc/94/02/97/939940297.db2.gz SULZWGWECRHFAV-FUHWJXTLSA-N 2 2 356.474 1.557 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130698899 939993111 /nfs/dbraw/zinc/99/31/11/939993111.db2.gz WGOJEOJVSYPQFG-HLLBOEOZSA-N 2 2 356.474 1.625 20 30 FDEDLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]([NH3+])CCCC#N)n3)cc2)CC1 ZINC000822926189 945311727 /nfs/dbraw/zinc/31/17/27/945311727.db2.gz ULYNSEZKDZFOQT-INIZCTEOSA-N 2 2 368.441 1.818 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1NCC#N ZINC001131038498 940466720 /nfs/dbraw/zinc/46/67/20/940466720.db2.gz VKOXYNYMXCYFAJ-HZPDHXFCSA-N 2 2 358.490 1.092 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001131572331 940748447 /nfs/dbraw/zinc/74/84/47/940748447.db2.gz DVFHODWDASIZLB-HQRMLTQVSA-N 2 2 358.486 1.843 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccc(OC)cc1 ZINC001090884629 947647098 /nfs/dbraw/zinc/64/70/98/947647098.db2.gz XHNXRIOTTRJBCT-RBUKOAKNSA-N 2 2 352.438 1.189 20 30 FDEDLP Cc1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c(C[NH+]2CCOCC2)c1 ZINC001171261383 951793833 /nfs/dbraw/zinc/79/38/33/951793833.db2.gz XXRFFYMEKABAKW-UHFFFAOYSA-N 2 2 352.438 1.963 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985091 953001209 /nfs/dbraw/zinc/00/12/09/953001209.db2.gz TVTXGLNNKYEJHG-RYQLBKOJSA-N 2 2 368.485 1.339 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001092200979 954523839 /nfs/dbraw/zinc/52/38/39/954523839.db2.gz SPXAZRMKIPJUGQ-NQIIRXRSSA-N 2 2 363.465 1.815 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001092200979 954523841 /nfs/dbraw/zinc/52/38/41/954523841.db2.gz SPXAZRMKIPJUGQ-NQIIRXRSSA-N 2 2 363.465 1.815 20 30 FDEDLP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC001093407066 958024370 /nfs/dbraw/zinc/02/43/70/958024370.db2.gz MNNBGYCEKBJRII-MUZJZNNISA-N 2 2 356.470 1.287 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001093454949 958270380 /nfs/dbraw/zinc/27/03/80/958270380.db2.gz IODCWRUUVONZTR-JYBIWHBTSA-N 2 2 360.502 1.815 20 30 FDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094494067 960598987 /nfs/dbraw/zinc/59/89/87/960598987.db2.gz ABRCIELTVKVSGK-QKNQBKEWSA-N 2 2 359.514 1.624 20 30 FDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094494067 960598998 /nfs/dbraw/zinc/59/89/98/960598998.db2.gz ABRCIELTVKVSGK-QKNQBKEWSA-N 2 2 359.514 1.624 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094494067 960599020 /nfs/dbraw/zinc/59/90/20/960599020.db2.gz ABRCIELTVKVSGK-QKNQBKEWSA-N 2 2 359.514 1.624 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094494067 960599039 /nfs/dbraw/zinc/59/90/39/960599039.db2.gz ABRCIELTVKVSGK-QKNQBKEWSA-N 2 2 359.514 1.624 20 30 FDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171879192 961357103 /nfs/dbraw/zinc/35/71/03/961357103.db2.gz QWEXGYGWSSFQDC-OTWHNJEPSA-N 2 2 365.518 1.154 20 30 FDEDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+](C2CCC(C)(C#N)CC2)CC3)CC1 ZINC001173594775 962470107 /nfs/dbraw/zinc/47/01/07/962470107.db2.gz FMCFKNQVJXDRML-UHFFFAOYSA-N 2 2 356.518 1.919 20 30 FDEDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+](C2CCC(C)(C#N)CC2)CC3)CC1 ZINC001173594775 962470114 /nfs/dbraw/zinc/47/01/14/962470114.db2.gz FMCFKNQVJXDRML-UHFFFAOYSA-N 2 2 356.518 1.919 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748574 982098348 /nfs/dbraw/zinc/09/83/48/982098348.db2.gz JTCDBONRIBMGMO-KURKYZTESA-N 2 2 374.529 1.110 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748574 982098352 /nfs/dbraw/zinc/09/83/52/982098352.db2.gz JTCDBONRIBMGMO-KURKYZTESA-N 2 2 374.529 1.110 20 30 FDEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748574 982098362 /nfs/dbraw/zinc/09/83/62/982098362.db2.gz JTCDBONRIBMGMO-KURKYZTESA-N 2 2 374.529 1.110 20 30 FDEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748574 982098369 /nfs/dbraw/zinc/09/83/69/982098369.db2.gz JTCDBONRIBMGMO-KURKYZTESA-N 2 2 374.529 1.110 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000884181257 982954226 /nfs/dbraw/zinc/95/42/26/982954226.db2.gz ZZERXKWRBNRCGQ-SFHVURJKSA-N 2 2 359.470 1.735 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000884378676 983127441 /nfs/dbraw/zinc/12/74/41/983127441.db2.gz ZQIYSZWTYVHRTQ-WMZOPIPTSA-N 2 2 365.518 1.936 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000884378676 983127447 /nfs/dbraw/zinc/12/74/47/983127447.db2.gz ZQIYSZWTYVHRTQ-WMZOPIPTSA-N 2 2 365.518 1.936 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110810005 984028999 /nfs/dbraw/zinc/02/89/99/984028999.db2.gz BIYWFPUXSKCVMG-UWIFEVILSA-N 2 2 367.453 1.360 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110810005 984029005 /nfs/dbraw/zinc/02/90/05/984029005.db2.gz BIYWFPUXSKCVMG-UWIFEVILSA-N 2 2 367.453 1.360 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3cccc(OCC#N)c3)c2)CC1 ZINC000870666927 986213919 /nfs/dbraw/zinc/21/39/19/986213919.db2.gz OBDDSUQBCDVFLB-UHFFFAOYSA-N 2 2 365.437 1.917 20 30 FDEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000366300046 988606277 /nfs/dbraw/zinc/60/62/77/988606277.db2.gz PZPPDZWVKAQHSM-QUCCMNQESA-N 2 2 357.498 1.756 20 30 FDEDLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1 ZINC000369156749 989031670 /nfs/dbraw/zinc/03/16/70/989031670.db2.gz PVUFIHJOSUACAT-FQEVSTJZSA-N 2 2 361.534 1.287 20 30 FDEDLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)CC1 ZINC000369153424 989031846 /nfs/dbraw/zinc/03/18/46/989031846.db2.gz CUIHPLOAEATYKS-FQEVSTJZSA-N 2 2 363.550 1.533 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876713832 992818486 /nfs/dbraw/zinc/81/84/86/992818486.db2.gz UJCJXBAFAZQWMR-HKUYNNGSSA-N 2 2 356.470 1.218 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876713832 992818501 /nfs/dbraw/zinc/81/85/01/992818501.db2.gz UJCJXBAFAZQWMR-HKUYNNGSSA-N 2 2 356.470 1.218 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876713835 992818616 /nfs/dbraw/zinc/81/86/16/992818616.db2.gz UJCJXBAFAZQWMR-MJGOQNOKSA-N 2 2 356.470 1.218 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876713835 992818620 /nfs/dbraw/zinc/81/86/20/992818620.db2.gz UJCJXBAFAZQWMR-MJGOQNOKSA-N 2 2 356.470 1.218 20 30 FDEDLP N#CCOc1ccc(C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)cc1 ZINC001137121294 993308534 /nfs/dbraw/zinc/30/85/34/993308534.db2.gz BTLUHQGBLVIPSF-UHFFFAOYSA-N 2 2 356.470 1.751 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001095556458 993444574 /nfs/dbraw/zinc/44/45/74/993444574.db2.gz SAWDMIDSADRKAL-ANULTFPQSA-N 2 2 362.477 1.877 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001095556458 993444583 /nfs/dbraw/zinc/44/45/83/993444583.db2.gz SAWDMIDSADRKAL-ANULTFPQSA-N 2 2 362.477 1.877 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001095556458 993444597 /nfs/dbraw/zinc/44/45/97/993444597.db2.gz SAWDMIDSADRKAL-ANULTFPQSA-N 2 2 362.477 1.877 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001095556458 993444604 /nfs/dbraw/zinc/44/46/04/993444604.db2.gz SAWDMIDSADRKAL-ANULTFPQSA-N 2 2 362.477 1.877 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000264364869 997481426 /nfs/dbraw/zinc/48/14/26/997481426.db2.gz FMQFFNYJXVOUNR-UHFFFAOYSA-N 2 2 372.513 1.968 20 30 FDEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001110977827 1002641788 /nfs/dbraw/zinc/64/17/88/1002641788.db2.gz ASTUKOBTLVTRHO-BDXSIMOUSA-N 2 2 359.474 1.145 20 30 FDEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001110977827 1002641792 /nfs/dbraw/zinc/64/17/92/1002641792.db2.gz ASTUKOBTLVTRHO-BDXSIMOUSA-N 2 2 359.474 1.145 20 30 FDEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001110977827 1002641800 /nfs/dbraw/zinc/64/18/00/1002641800.db2.gz ASTUKOBTLVTRHO-BDXSIMOUSA-N 2 2 359.474 1.145 20 30 FDEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001110977827 1002641811 /nfs/dbraw/zinc/64/18/11/1002641811.db2.gz ASTUKOBTLVTRHO-BDXSIMOUSA-N 2 2 359.474 1.145 20 30 FDEDLP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948930132 1002836524 /nfs/dbraw/zinc/83/65/24/1002836524.db2.gz YSVAGELXXLZYNB-LSTHTHJFSA-N 2 2 355.482 1.444 20 30 FDEDLP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948930132 1002836534 /nfs/dbraw/zinc/83/65/34/1002836534.db2.gz YSVAGELXXLZYNB-LSTHTHJFSA-N 2 2 355.482 1.444 20 30 FDEDLP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000948930132 1002836550 /nfs/dbraw/zinc/83/65/50/1002836550.db2.gz YSVAGELXXLZYNB-LSTHTHJFSA-N 2 2 355.482 1.444 20 30 FDEDLP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000948930132 1002836563 /nfs/dbraw/zinc/83/65/63/1002836563.db2.gz YSVAGELXXLZYNB-LSTHTHJFSA-N 2 2 355.482 1.444 20 30 FDEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652357252 1016963776 /nfs/dbraw/zinc/96/37/76/1016963776.db2.gz FLCAXNAWIGGVDH-ZMSDIMECSA-N 2 2 351.516 1.947 20 30 FDEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652357252 1016963777 /nfs/dbraw/zinc/96/37/77/1016963777.db2.gz FLCAXNAWIGGVDH-ZMSDIMECSA-N 2 2 351.516 1.947 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000961836224 1012912599 /nfs/dbraw/zinc/91/25/99/1012912599.db2.gz UFNWYDSJWNTERD-KLBVCGFUSA-N 2 2 361.449 1.642 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000961836224 1012912602 /nfs/dbraw/zinc/91/26/02/1012912602.db2.gz UFNWYDSJWNTERD-KLBVCGFUSA-N 2 2 361.449 1.642 20 30 FDEDLP C[N@@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](C[NH3+])C1 ZINC000518343963 539410225 /nfs/dbraw/zinc/41/02/25/539410225.db2.gz UYTZYRUGJMXIHJ-ADKAHSJRSA-N 2 2 371.485 1.533 20 30 FDEDLP C[N@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](C[NH3+])C1 ZINC000518343963 539410228 /nfs/dbraw/zinc/41/02/28/539410228.db2.gz UYTZYRUGJMXIHJ-ADKAHSJRSA-N 2 2 371.485 1.533 20 30 FDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528511884 539764654 /nfs/dbraw/zinc/76/46/54/539764654.db2.gz WQKGKFPDBVMHEV-VQIMIIECSA-N 2 2 359.470 1.483 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(=O)OC)c3C#N)C2)CC1 ZINC000534471299 540371882 /nfs/dbraw/zinc/37/18/82/540371882.db2.gz DUXVOGAKSXITRI-QGZVFWFLSA-N 2 2 356.470 1.557 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(=O)OC)c3C#N)C2)CC1 ZINC000534471299 540371884 /nfs/dbraw/zinc/37/18/84/540371884.db2.gz DUXVOGAKSXITRI-QGZVFWFLSA-N 2 2 356.470 1.557 20 30 FDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1C#N ZINC000546155990 542111379 /nfs/dbraw/zinc/11/13/79/542111379.db2.gz JRHJGQWHSCFRTH-UHFFFAOYSA-N 2 2 350.386 1.266 20 30 FDEDLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)CC3)CC1 ZINC000549549210 542898217 /nfs/dbraw/zinc/89/82/17/542898217.db2.gz NBFJTHTZKWDZRJ-ZACQAIPSSA-N 2 2 370.501 1.115 20 30 FDEDLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000104718032 172383435 /nfs/dbraw/zinc/38/34/35/172383435.db2.gz ISBNWBHXYMMAPY-KRWDZBQOSA-N 2 2 368.437 1.524 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000131205520 173192778 /nfs/dbraw/zinc/19/27/78/173192778.db2.gz LZCNGURIEDUHTM-SFHVURJKSA-N 2 2 351.454 1.908 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131205741 173192953 /nfs/dbraw/zinc/19/29/53/173192953.db2.gz FUDXOWSUDWBHJT-GOSISDBHSA-N 2 2 351.454 1.908 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1C#N ZINC000181070938 174205699 /nfs/dbraw/zinc/20/56/99/174205699.db2.gz YWHRMKULILGUKE-UHFFFAOYSA-N 2 2 350.488 1.205 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1C#N ZINC000181070938 174205700 /nfs/dbraw/zinc/20/57/00/174205700.db2.gz YWHRMKULILGUKE-UHFFFAOYSA-N 2 2 350.488 1.205 20 30 FDEDLP C[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000332065461 259238653 /nfs/dbraw/zinc/23/86/53/259238653.db2.gz ROSVSKRZTSKYHN-MRXNPFEDSA-N 2 2 355.486 1.597 20 30 FDEDLP C[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000332065461 259238654 /nfs/dbraw/zinc/23/86/54/259238654.db2.gz ROSVSKRZTSKYHN-MRXNPFEDSA-N 2 2 355.486 1.597 20 30 FDEDLP C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378427715 262022946 /nfs/dbraw/zinc/02/29/46/262022946.db2.gz JGNWIVLENPKVHT-HXUWFJFHSA-N 2 2 369.513 1.275 20 30 FDEDLP C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378427715 262022948 /nfs/dbraw/zinc/02/29/48/262022948.db2.gz JGNWIVLENPKVHT-HXUWFJFHSA-N 2 2 369.513 1.275 20 30 FDEDLP CN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378427715 262022949 /nfs/dbraw/zinc/02/29/49/262022949.db2.gz JGNWIVLENPKVHT-HXUWFJFHSA-N 2 2 369.513 1.275 20 30 FDEDLP CN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378427715 262022951 /nfs/dbraw/zinc/02/29/51/262022951.db2.gz JGNWIVLENPKVHT-HXUWFJFHSA-N 2 2 369.513 1.275 20 30 FDEDLP C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378427714 262023515 /nfs/dbraw/zinc/02/35/15/262023515.db2.gz JGNWIVLENPKVHT-FQEVSTJZSA-N 2 2 369.513 1.275 20 30 FDEDLP C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378427714 262023516 /nfs/dbraw/zinc/02/35/16/262023516.db2.gz JGNWIVLENPKVHT-FQEVSTJZSA-N 2 2 369.513 1.275 20 30 FDEDLP CN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378427714 262023517 /nfs/dbraw/zinc/02/35/17/262023517.db2.gz JGNWIVLENPKVHT-FQEVSTJZSA-N 2 2 369.513 1.275 20 30 FDEDLP CN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378427714 262023518 /nfs/dbraw/zinc/02/35/18/262023518.db2.gz JGNWIVLENPKVHT-FQEVSTJZSA-N 2 2 369.513 1.275 20 30 FDEDLP Cc1oc(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000069029246 521785010 /nfs/dbraw/zinc/78/50/10/521785010.db2.gz IHNBQQZCSYOUQC-UHFFFAOYSA-N 2 2 360.458 1.751 20 30 FDEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803130 521958000 /nfs/dbraw/zinc/95/80/00/521958000.db2.gz LKMDWPFARKPFKE-SFHVURJKSA-N 2 2 356.470 1.931 20 30 FDEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803130 521958002 /nfs/dbraw/zinc/95/80/02/521958002.db2.gz LKMDWPFARKPFKE-SFHVURJKSA-N 2 2 356.470 1.931 20 30 FDEDLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(C#N)CC1 ZINC000057877080 522175322 /nfs/dbraw/zinc/17/53/22/522175322.db2.gz CPWOYVLSWJDTOL-QGZVFWFLSA-N 2 2 370.497 1.759 20 30 FDEDLP CCC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(C#N)cc1 ZINC000047740084 522592870 /nfs/dbraw/zinc/59/28/70/522592870.db2.gz VXEXDOMAHFTNIF-UHFFFAOYSA-N 2 2 372.513 1.997 20 30 FDEDLP CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(C#N)cc1 ZINC000047740084 522592878 /nfs/dbraw/zinc/59/28/78/522592878.db2.gz VXEXDOMAHFTNIF-UHFFFAOYSA-N 2 2 372.513 1.997 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000074132527 522689272 /nfs/dbraw/zinc/68/92/72/522689272.db2.gz SZSZINBMFSPFBT-SFHVURJKSA-N 2 2 350.507 1.533 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534394 523099266 /nfs/dbraw/zinc/09/92/66/523099266.db2.gz BVRHJYDYTZONJI-UHFFFAOYSA-N 2 2 370.541 1.937 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534394 523099276 /nfs/dbraw/zinc/09/92/76/523099276.db2.gz BVRHJYDYTZONJI-UHFFFAOYSA-N 2 2 370.541 1.937 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C#Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000135454921 524142138 /nfs/dbraw/zinc/14/21/38/524142138.db2.gz DBIKBTUFEXEUSC-UHFFFAOYSA-N 2 2 369.465 1.442 20 30 FDEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091587621 524733167 /nfs/dbraw/zinc/73/31/67/524733167.db2.gz OJEXDYQUXOUTNR-MOPGFXCFSA-N 2 2 363.550 1.342 20 30 FDEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091587621 524733174 /nfs/dbraw/zinc/73/31/74/524733174.db2.gz OJEXDYQUXOUTNR-MOPGFXCFSA-N 2 2 363.550 1.342 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000175579318 524979702 /nfs/dbraw/zinc/97/97/02/524979702.db2.gz AVDJYBZWQDBMAZ-MRXNPFEDSA-N 2 2 364.457 1.566 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126453477 525313560 /nfs/dbraw/zinc/31/35/60/525313560.db2.gz GDUROMDONZIGNO-IBGZPJMESA-N 2 2 358.486 1.730 20 30 FDEDLP COC(=O)[C@H](c1cccc(C#N)c1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126453477 525313571 /nfs/dbraw/zinc/31/35/71/525313571.db2.gz GDUROMDONZIGNO-IBGZPJMESA-N 2 2 358.486 1.730 20 30 FDEDLP C#CCC[NH+]1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000127410560 525420378 /nfs/dbraw/zinc/42/03/78/525420378.db2.gz CBDLYLPSHQDLMM-UHFFFAOYSA-N 2 2 370.497 1.098 20 30 FDEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000119022032 525611354 /nfs/dbraw/zinc/61/13/54/525611354.db2.gz LIVQQFKJWGBFJP-MRXNPFEDSA-N 2 2 356.474 1.415 20 30 FDEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000119022032 525611361 /nfs/dbraw/zinc/61/13/61/525611361.db2.gz LIVQQFKJWGBFJP-MRXNPFEDSA-N 2 2 356.474 1.415 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000106340814 525696678 /nfs/dbraw/zinc/69/66/78/525696678.db2.gz QEAYNBXFULQXQH-UHFFFAOYSA-N 3 2 365.566 1.694 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000106340814 525696690 /nfs/dbraw/zinc/69/66/90/525696690.db2.gz QEAYNBXFULQXQH-UHFFFAOYSA-N 3 2 365.566 1.694 20 30 FDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000267019182 536949110 /nfs/dbraw/zinc/94/91/10/536949110.db2.gz PWLXBTRDELGQKN-UHFFFAOYSA-N 2 2 365.437 1.573 20 30 FDEDLP COCCOCCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000273590675 537473877 /nfs/dbraw/zinc/47/38/77/537473877.db2.gz SOLJMNLPCALTIX-UHFFFAOYSA-N 2 2 364.490 1.146 20 30 FDEDLP COCCOCCO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000273590675 537473886 /nfs/dbraw/zinc/47/38/86/537473886.db2.gz SOLJMNLPCALTIX-UHFFFAOYSA-N 2 2 364.490 1.146 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330513598 537658090 /nfs/dbraw/zinc/65/80/90/537658090.db2.gz CTRSWZURMNITHF-SOAMZJECSA-N 2 2 363.550 1.387 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330513598 537658094 /nfs/dbraw/zinc/65/80/94/537658094.db2.gz CTRSWZURMNITHF-SOAMZJECSA-N 2 2 363.550 1.387 20 30 FDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433332036 538226401 /nfs/dbraw/zinc/22/64/01/538226401.db2.gz RIQYDBGZNGDCDE-SFHVURJKSA-N 2 2 353.474 1.194 20 30 FDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433332036 538226404 /nfs/dbraw/zinc/22/64/04/538226404.db2.gz RIQYDBGZNGDCDE-SFHVURJKSA-N 2 2 353.474 1.194 20 30 FDEDLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424177495 538248633 /nfs/dbraw/zinc/24/86/33/538248633.db2.gz UTEBMBCPMATILU-GOSISDBHSA-N 2 2 357.458 1.310 20 30 FDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000424192932 538252649 /nfs/dbraw/zinc/25/26/49/538252649.db2.gz QEEOEQPLIQVQNT-INIZCTEOSA-N 2 2 374.876 1.653 20 30 FDEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cnc4c(C#N)cnn4c3)[nH+]c2)C1 ZINC000569223519 548841176 /nfs/dbraw/zinc/84/11/76/548841176.db2.gz YPVBPHXRJWNSPT-KRWDZBQOSA-N 2 2 362.441 1.748 20 30 FDEDLP C[NH+]1CCC(C#N)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000572934396 550026446 /nfs/dbraw/zinc/02/64/46/550026446.db2.gz YKRVCKITWWIDFE-UHFFFAOYSA-N 2 2 360.368 1.923 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578753785 550798039 /nfs/dbraw/zinc/79/80/39/550798039.db2.gz GEMBQXHWLVWAIX-OAHLLOKOSA-N 2 2 364.515 1.822 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578753785 550798041 /nfs/dbraw/zinc/79/80/41/550798041.db2.gz GEMBQXHWLVWAIX-OAHLLOKOSA-N 2 2 364.515 1.822 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578753785 550798043 /nfs/dbraw/zinc/79/80/43/550798043.db2.gz GEMBQXHWLVWAIX-OAHLLOKOSA-N 2 2 364.515 1.822 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578753785 550798044 /nfs/dbraw/zinc/79/80/44/550798044.db2.gz GEMBQXHWLVWAIX-OAHLLOKOSA-N 2 2 364.515 1.822 20 30 FDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000584582473 551522001 /nfs/dbraw/zinc/52/20/01/551522001.db2.gz PFSDQCDCQBGMFC-LMMKCTJWSA-N 2 2 361.486 1.581 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000594222752 552266646 /nfs/dbraw/zinc/26/66/46/552266646.db2.gz LGYSLXCOUNSIHM-SFHVURJKSA-N 2 2 353.470 1.752 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000594222752 552266648 /nfs/dbraw/zinc/26/66/48/552266648.db2.gz LGYSLXCOUNSIHM-SFHVURJKSA-N 2 2 353.470 1.752 20 30 FDEDLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599194000 552982209 /nfs/dbraw/zinc/98/22/09/552982209.db2.gz IONGXEYJDZWDGY-LJQANCHMSA-N 2 2 371.485 1.106 20 30 FDEDLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599194000 552982210 /nfs/dbraw/zinc/98/22/10/552982210.db2.gz IONGXEYJDZWDGY-LJQANCHMSA-N 2 2 371.485 1.106 20 30 FDEDLP C[NH+]1CCOC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599194000 552982211 /nfs/dbraw/zinc/98/22/11/552982211.db2.gz IONGXEYJDZWDGY-LJQANCHMSA-N 2 2 371.485 1.106 20 30 FDEDLP C[NH+]1CCOC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599194000 552982212 /nfs/dbraw/zinc/98/22/12/552982212.db2.gz IONGXEYJDZWDGY-LJQANCHMSA-N 2 2 371.485 1.106 20 30 FDEDLP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599401208 553046665 /nfs/dbraw/zinc/04/66/65/553046665.db2.gz OFJOFDPEDSMSNI-ROUUACIJSA-N 2 2 351.491 1.102 20 30 FDEDLP N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599401208 553046668 /nfs/dbraw/zinc/04/66/68/553046668.db2.gz OFJOFDPEDSMSNI-ROUUACIJSA-N 2 2 351.491 1.102 20 30 FDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000600739733 553309733 /nfs/dbraw/zinc/30/97/33/553309733.db2.gz UELBVXJVNKDBGV-WOJBJXKFSA-N 2 2 373.497 1.067 20 30 FDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000600739733 553309734 /nfs/dbraw/zinc/30/97/34/553309734.db2.gz UELBVXJVNKDBGV-WOJBJXKFSA-N 2 2 373.497 1.067 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COc3ccc(C#N)cc3)c2)CC1 ZINC000601803700 553477363 /nfs/dbraw/zinc/47/73/63/553477363.db2.gz HJKCATAVYAYUOH-UHFFFAOYSA-N 2 2 351.410 1.723 20 30 FDEDLP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)N1CC#N ZINC000602852272 553651092 /nfs/dbraw/zinc/65/10/92/553651092.db2.gz ARGYICSRWNNHLV-SCTDSRPQSA-N 2 2 357.502 1.324 20 30 FDEDLP C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)N1CC#N ZINC000602852272 553651095 /nfs/dbraw/zinc/65/10/95/553651095.db2.gz ARGYICSRWNNHLV-SCTDSRPQSA-N 2 2 357.502 1.324 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000610216719 554474836 /nfs/dbraw/zinc/47/48/36/554474836.db2.gz JIPYIMBFLNXLCM-OALUTQOASA-N 2 2 359.470 1.146 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000610216719 554474841 /nfs/dbraw/zinc/47/48/41/554474841.db2.gz JIPYIMBFLNXLCM-OALUTQOASA-N 2 2 359.470 1.146 20 30 FDEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000611171970 554611793 /nfs/dbraw/zinc/61/17/93/554611793.db2.gz QWKUFLQUFVSLAH-KRWDZBQOSA-N 2 2 355.442 1.048 20 30 FDEDLP C=CCNC(=O)CN1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000613259596 554905719 /nfs/dbraw/zinc/90/57/19/554905719.db2.gz NYPRMZJLOVBRNM-UHFFFAOYSA-N 2 2 360.502 1.047 20 30 FDEDLP C[NH+](C)CCC[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625564009 556855642 /nfs/dbraw/zinc/85/56/42/556855642.db2.gz XGOWQDUMLYDOCJ-QGZVFWFLSA-N 2 2 369.465 1.329 20 30 FDEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625564009 556855644 /nfs/dbraw/zinc/85/56/44/556855644.db2.gz XGOWQDUMLYDOCJ-QGZVFWFLSA-N 2 2 369.465 1.329 20 30 FDEDLP C=C(C)CN(CC)C(=O)CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643255268 568404748 /nfs/dbraw/zinc/40/47/48/568404748.db2.gz ACGLITADNCZQDZ-UHFFFAOYSA-N 2 2 350.551 1.903 20 30 FDEDLP C=C(C)CN(CC)C(=O)CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643255268 568404749 /nfs/dbraw/zinc/40/47/49/568404749.db2.gz ACGLITADNCZQDZ-UHFFFAOYSA-N 2 2 350.551 1.903 20 30 FDEDLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCC#N ZINC000246068303 672483983 /nfs/dbraw/zinc/48/39/83/672483983.db2.gz BORNBDHACQRQRF-QZTJIDSGSA-N 2 2 370.563 1.889 20 30 FDEDLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCC#N ZINC000246068303 672483988 /nfs/dbraw/zinc/48/39/88/672483988.db2.gz BORNBDHACQRQRF-QZTJIDSGSA-N 2 2 370.563 1.889 20 30 FDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261859819 672684481 /nfs/dbraw/zinc/68/44/81/672684481.db2.gz NCZQRZJLGWVIFH-ZDUSSCGKSA-N 2 2 367.485 1.179 20 30 FDEDLP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329288808 676631149 /nfs/dbraw/zinc/63/11/49/676631149.db2.gz PWDMCQFQPRYXAU-QZTJIDSGSA-N 2 2 353.507 1.679 20 30 FDEDLP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329288808 676631151 /nfs/dbraw/zinc/63/11/51/676631151.db2.gz PWDMCQFQPRYXAU-QZTJIDSGSA-N 2 2 353.507 1.679 20 30 FDEDLP C=CC[NH+]1CCC(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000442951505 682201211 /nfs/dbraw/zinc/20/12/11/682201211.db2.gz HFZOMXLSHYJEST-UHFFFAOYSA-N 2 2 360.483 1.860 20 30 FDEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087424242 805610282 /nfs/dbraw/zinc/61/02/82/805610282.db2.gz PLGCKYMHZSOWKD-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087424242 805610285 /nfs/dbraw/zinc/61/02/85/805610285.db2.gz PLGCKYMHZSOWKD-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001087424242 805610291 /nfs/dbraw/zinc/61/02/91/805610291.db2.gz PLGCKYMHZSOWKD-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001087424242 805610294 /nfs/dbraw/zinc/61/02/94/805610294.db2.gz PLGCKYMHZSOWKD-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP Cc1cn2cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc2[nH+]1 ZINC000275910393 774482298 /nfs/dbraw/zinc/48/22/98/774482298.db2.gz SLNLDLAXMLKRCU-UHFFFAOYSA-N 2 2 356.430 1.275 20 30 FDEDLP CC(C)[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329006020 780345416 /nfs/dbraw/zinc/34/54/16/780345416.db2.gz MVRFQWTXLUSXJA-JZXOWHBKSA-N 2 2 368.522 1.241 20 30 FDEDLP CC(C)[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329006020 780345425 /nfs/dbraw/zinc/34/54/25/780345425.db2.gz MVRFQWTXLUSXJA-JZXOWHBKSA-N 2 2 368.522 1.241 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)[N@H+](C)C1 ZINC000329008342 780386875 /nfs/dbraw/zinc/38/68/75/780386875.db2.gz ZPBVOPGVNDJWKN-HCXYKTFWSA-N 2 2 361.486 1.545 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)[N@@H+](C)C1 ZINC000329008342 780386887 /nfs/dbraw/zinc/38/68/87/780386887.db2.gz ZPBVOPGVNDJWKN-HCXYKTFWSA-N 2 2 361.486 1.545 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)[NH+](C)C1 ZINC000329008342 780386898 /nfs/dbraw/zinc/38/68/98/780386898.db2.gz ZPBVOPGVNDJWKN-HCXYKTFWSA-N 2 2 361.486 1.545 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)[NH+](C)C1 ZINC000329008342 780386910 /nfs/dbraw/zinc/38/69/10/780386910.db2.gz ZPBVOPGVNDJWKN-HCXYKTFWSA-N 2 2 361.486 1.545 20 30 FDEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC001083239021 781726023 /nfs/dbraw/zinc/72/60/23/781726023.db2.gz OTNMVKOQUQVMME-RBUKOAKNSA-N 2 2 352.438 1.974 20 30 FDEDLP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001026532682 795512411 /nfs/dbraw/zinc/51/24/11/795512411.db2.gz UCZDJKNTCNDNCW-HIEASXQVSA-N 2 2 351.491 1.069 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2oc(C)nc2C)[C@@H]1CC ZINC001087606934 821713458 /nfs/dbraw/zinc/71/34/58/821713458.db2.gz AEAPILJJEZWGAY-KSZLIROESA-N 2 2 358.486 1.858 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2oc(C)nc2C)[C@@H]1CC ZINC001087606934 821713464 /nfs/dbraw/zinc/71/34/64/821713464.db2.gz AEAPILJJEZWGAY-KSZLIROESA-N 2 2 358.486 1.858 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2oc(C)nc2C)[C@@H]1CC ZINC001087606934 821713472 /nfs/dbraw/zinc/71/34/72/821713472.db2.gz AEAPILJJEZWGAY-KSZLIROESA-N 2 2 358.486 1.858 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2oc(C)nc2C)[C@@H]1CC ZINC001087606934 821713480 /nfs/dbraw/zinc/71/34/80/821713480.db2.gz AEAPILJJEZWGAY-KSZLIROESA-N 2 2 358.486 1.858 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)[C@@H]1CC ZINC001087607214 821714692 /nfs/dbraw/zinc/71/46/92/821714692.db2.gz RJYKYJCKBUBKBG-UHOSZYNNSA-N 2 2 355.486 1.352 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccnc2C)[C@@H]1CC ZINC001087607214 821714696 /nfs/dbraw/zinc/71/46/96/821714696.db2.gz RJYKYJCKBUBKBG-UHOSZYNNSA-N 2 2 355.486 1.352 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2nccnc2C)[C@@H]1CC ZINC001087607214 821714698 /nfs/dbraw/zinc/71/46/98/821714698.db2.gz RJYKYJCKBUBKBG-UHOSZYNNSA-N 2 2 355.486 1.352 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2nccnc2C)[C@@H]1CC ZINC001087607214 821714702 /nfs/dbraw/zinc/71/47/02/821714702.db2.gz RJYKYJCKBUBKBG-UHOSZYNNSA-N 2 2 355.486 1.352 20 30 FDEDLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCC[N@H+](C)CC2)CCC(=O)N1C1CC1 ZINC000329320600 824736621 /nfs/dbraw/zinc/73/66/21/824736621.db2.gz IZIPCGUERAVAMD-CRAIPNDOSA-N 2 2 374.489 1.166 20 30 FDEDLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCC[N@@H+](C)CC2)CCC(=O)N1C1CC1 ZINC000329320600 824736628 /nfs/dbraw/zinc/73/66/28/824736628.db2.gz IZIPCGUERAVAMD-CRAIPNDOSA-N 2 2 374.489 1.166 20 30 FDEDLP Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1CCC#N ZINC000896987696 826744223 /nfs/dbraw/zinc/74/42/23/826744223.db2.gz GZGLAOXNLATGHO-QGZVFWFLSA-N 2 2 358.490 1.346 20 30 FDEDLP Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1CCC#N ZINC000896987696 826744228 /nfs/dbraw/zinc/74/42/28/826744228.db2.gz GZGLAOXNLATGHO-QGZVFWFLSA-N 2 2 358.490 1.346 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOc2ccccc2)[C@@H]1C ZINC001088631793 838610949 /nfs/dbraw/zinc/61/09/49/838610949.db2.gz GTHQNHPDJNNTRE-HOJAQTOUSA-N 2 2 355.482 1.742 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOc2ccccc2)[C@@H]1C ZINC001088631793 838610955 /nfs/dbraw/zinc/61/09/55/838610955.db2.gz GTHQNHPDJNNTRE-HOJAQTOUSA-N 2 2 355.482 1.742 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOc2ccccc2)[C@@H]1C ZINC001088631793 838610961 /nfs/dbraw/zinc/61/09/61/838610961.db2.gz GTHQNHPDJNNTRE-HOJAQTOUSA-N 2 2 355.482 1.742 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOc2ccccc2)[C@@H]1C ZINC001088631793 838610968 /nfs/dbraw/zinc/61/09/68/838610968.db2.gz GTHQNHPDJNNTRE-HOJAQTOUSA-N 2 2 355.482 1.742 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)onc2CC)[C@@H]1C ZINC001088631085 838621625 /nfs/dbraw/zinc/62/16/25/838621625.db2.gz QAQVEJRAPYHFCU-CCKFTAQKSA-N 2 2 358.486 1.722 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)onc2CC)[C@@H]1C ZINC001088631085 838621636 /nfs/dbraw/zinc/62/16/36/838621636.db2.gz QAQVEJRAPYHFCU-CCKFTAQKSA-N 2 2 358.486 1.722 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)onc2CC)[C@@H]1C ZINC001088631085 838621643 /nfs/dbraw/zinc/62/16/43/838621643.db2.gz QAQVEJRAPYHFCU-CCKFTAQKSA-N 2 2 358.486 1.722 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)onc2CC)[C@@H]1C ZINC001088631085 838621653 /nfs/dbraw/zinc/62/16/53/838621653.db2.gz QAQVEJRAPYHFCU-CCKFTAQKSA-N 2 2 358.486 1.722 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637238 842271489 /nfs/dbraw/zinc/27/14/89/842271489.db2.gz LWEAXSPLDDNMIH-HNBVOPMISA-N 2 2 358.486 1.332 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637238 842271501 /nfs/dbraw/zinc/27/15/01/842271501.db2.gz LWEAXSPLDDNMIH-HNBVOPMISA-N 2 2 358.486 1.332 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076594965 848521503 /nfs/dbraw/zinc/52/15/03/848521503.db2.gz ZDGFQAJWWZMIBW-ZCNNSNEGSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076594965 848521509 /nfs/dbraw/zinc/52/15/09/848521509.db2.gz ZDGFQAJWWZMIBW-ZCNNSNEGSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076594965 848521512 /nfs/dbraw/zinc/52/15/12/848521512.db2.gz ZDGFQAJWWZMIBW-ZCNNSNEGSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076594965 848521516 /nfs/dbraw/zinc/52/15/16/848521516.db2.gz ZDGFQAJWWZMIBW-ZCNNSNEGSA-N 2 2 368.481 1.312 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nc(C)c(C)o4)C[C@H]32)CC1 ZINC001076604925 848554902 /nfs/dbraw/zinc/55/49/02/848554902.db2.gz YNGQHPMZIWBDLM-RBUKOAKNSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nc(C)c(C)o4)C[C@H]32)CC1 ZINC001076604925 848554910 /nfs/dbraw/zinc/55/49/10/848554910.db2.gz YNGQHPMZIWBDLM-RBUKOAKNSA-N 2 2 370.497 1.669 20 30 FDEDLP C=CCc1cc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c(O)c(OC)c1 ZINC000164375337 862548064 /nfs/dbraw/zinc/54/80/64/862548064.db2.gz XTBLPHSVECUYID-UHFFFAOYSA-N 2 2 373.497 1.869 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001033186132 881695242 /nfs/dbraw/zinc/69/52/42/881695242.db2.gz UFTUZKSRFVRKFD-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001033186132 881695263 /nfs/dbraw/zinc/69/52/63/881695263.db2.gz UFTUZKSRFVRKFD-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001033186132 881695270 /nfs/dbraw/zinc/69/52/70/881695270.db2.gz UFTUZKSRFVRKFD-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001033186132 881695278 /nfs/dbraw/zinc/69/52/78/881695278.db2.gz UFTUZKSRFVRKFD-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@H]2C)C1=O ZINC001088985884 865926146 /nfs/dbraw/zinc/92/61/46/865926146.db2.gz YQZALUFWXKIEGH-UWWQBHOKSA-N 2 2 371.485 1.127 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@H]2C)C1=O ZINC001088985884 865926157 /nfs/dbraw/zinc/92/61/57/865926157.db2.gz YQZALUFWXKIEGH-UWWQBHOKSA-N 2 2 371.485 1.127 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001089041225 866241258 /nfs/dbraw/zinc/24/12/58/866241258.db2.gz JHDASIRGMDIMNP-ACJLOTCBSA-N 2 2 355.417 1.982 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001089041225 866241272 /nfs/dbraw/zinc/24/12/72/866241272.db2.gz JHDASIRGMDIMNP-ACJLOTCBSA-N 2 2 355.417 1.982 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128945138 884271165 /nfs/dbraw/zinc/27/11/65/884271165.db2.gz RCHLCUMSCCUJQZ-XHSDSOJGSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128945138 884271182 /nfs/dbraw/zinc/27/11/82/884271182.db2.gz RCHLCUMSCCUJQZ-XHSDSOJGSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122198 885767591 /nfs/dbraw/zinc/76/75/91/885767591.db2.gz GRCJIFRIMWAYIY-BBWFWOEESA-N 2 2 371.489 1.341 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122198 885767602 /nfs/dbraw/zinc/76/76/02/885767602.db2.gz GRCJIFRIMWAYIY-BBWFWOEESA-N 2 2 371.489 1.341 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)cc1C#N ZINC001084231988 913780860 /nfs/dbraw/zinc/78/08/60/913780860.db2.gz QVIOJXBTYUVVMU-NZSAHSFTSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)cc1C#N ZINC001084231988 913780867 /nfs/dbraw/zinc/78/08/67/913780867.db2.gz QVIOJXBTYUVVMU-NZSAHSFTSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1C#N ZINC001084231988 913780876 /nfs/dbraw/zinc/78/08/76/913780876.db2.gz QVIOJXBTYUVVMU-NZSAHSFTSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)cc1C#N ZINC001084231988 913780880 /nfs/dbraw/zinc/78/08/80/913780880.db2.gz QVIOJXBTYUVVMU-NZSAHSFTSA-N 2 2 368.481 1.694 20 30 FDEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078228665 898438473 /nfs/dbraw/zinc/43/84/73/898438473.db2.gz ZKMNFPSLQFUAPK-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078228665 898438477 /nfs/dbraw/zinc/43/84/77/898438477.db2.gz ZKMNFPSLQFUAPK-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078228665 898438478 /nfs/dbraw/zinc/43/84/78/898438478.db2.gz ZKMNFPSLQFUAPK-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078228665 898438483 /nfs/dbraw/zinc/43/84/83/898438483.db2.gz ZKMNFPSLQFUAPK-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212441985 899033434 /nfs/dbraw/zinc/03/34/34/899033434.db2.gz BLEHBFRKYRXHGM-KZNAEPCWSA-N 2 2 364.490 1.488 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212441985 899033452 /nfs/dbraw/zinc/03/34/52/899033452.db2.gz BLEHBFRKYRXHGM-KZNAEPCWSA-N 2 2 364.490 1.488 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1ccccc1F ZINC001079300663 902348277 /nfs/dbraw/zinc/34/82/77/902348277.db2.gz RSUTVPNYLJEMSL-HHXXYDBFSA-N 2 2 366.440 1.802 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561450 905636814 /nfs/dbraw/zinc/63/68/14/905636814.db2.gz KHDBACFFCYYSOO-NLWGTHIKSA-N 2 2 358.486 1.845 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561450 905636828 /nfs/dbraw/zinc/63/68/28/905636828.db2.gz KHDBACFFCYYSOO-NLWGTHIKSA-N 2 2 358.486 1.845 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082604429 908926263 /nfs/dbraw/zinc/92/62/63/908926263.db2.gz PEDOAUUIIXXXTE-MOXGXCLJSA-N 2 2 363.465 1.954 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001085074840 920534554 /nfs/dbraw/zinc/53/45/54/920534554.db2.gz FJVGTALVFHFYSL-CTNGQTDRSA-N 2 2 362.477 1.937 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001085074840 920534568 /nfs/dbraw/zinc/53/45/68/920534568.db2.gz FJVGTALVFHFYSL-CTNGQTDRSA-N 2 2 362.477 1.937 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001109958192 930873000 /nfs/dbraw/zinc/87/30/00/930873000.db2.gz YNAQZVKKBHBGRY-XWSJACJDSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001109958192 930873004 /nfs/dbraw/zinc/87/30/04/930873004.db2.gz YNAQZVKKBHBGRY-XWSJACJDSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001109958192 930873011 /nfs/dbraw/zinc/87/30/11/930873011.db2.gz YNAQZVKKBHBGRY-XWSJACJDSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001109958192 930873017 /nfs/dbraw/zinc/87/30/17/930873017.db2.gz YNAQZVKKBHBGRY-XWSJACJDSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCc3sccc3C1)C2 ZINC001112584776 931786321 /nfs/dbraw/zinc/78/63/21/931786321.db2.gz JTLKTWIOZGHWIN-PXNSSMCTSA-N 2 2 357.523 1.958 20 30 FDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCc3sccc3C1)C2 ZINC001112584776 931786330 /nfs/dbraw/zinc/78/63/30/931786330.db2.gz JTLKTWIOZGHWIN-PXNSSMCTSA-N 2 2 357.523 1.958 20 30 FDEDLP N#CCCn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccncc2)n1 ZINC000788512711 932719893 /nfs/dbraw/zinc/71/98/93/932719893.db2.gz MZCASFGCPWWXKF-RTBURBONSA-N 2 2 366.469 1.812 20 30 FDEDLP N#CCCn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccncc2)n1 ZINC000788512711 932719899 /nfs/dbraw/zinc/71/98/99/932719899.db2.gz MZCASFGCPWWXKF-RTBURBONSA-N 2 2 366.469 1.812 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129898374 938558905 /nfs/dbraw/zinc/55/89/05/938558905.db2.gz SBWHEYSVTLDPIJ-SRABZTEZSA-N 2 2 355.446 1.113 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129898374 938558908 /nfs/dbraw/zinc/55/89/08/938558908.db2.gz SBWHEYSVTLDPIJ-SRABZTEZSA-N 2 2 355.446 1.113 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129918925 938567599 /nfs/dbraw/zinc/56/75/99/938567599.db2.gz MFTMLKUQFYAFDB-ZACQAIPSSA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129930402 938572759 /nfs/dbraw/zinc/57/27/59/938572759.db2.gz GAXKJFVZYMCASP-ZBFHGGJFSA-N 2 2 351.414 1.157 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130158826 938720414 /nfs/dbraw/zinc/72/04/14/938720414.db2.gz UCRSAPQYMDVIDU-SJORKVTESA-N 2 2 357.462 1.263 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130614718 939911865 /nfs/dbraw/zinc/91/18/65/939911865.db2.gz CSGBCRQWLJZBHM-UHOSZYNNSA-N 2 2 370.501 1.974 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739916 940041887 /nfs/dbraw/zinc/04/18/87/940041887.db2.gz VODHVOYPHIEENO-PKOBYXMFSA-N 2 2 370.501 1.947 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131012940 940444811 /nfs/dbraw/zinc/44/48/11/940444811.db2.gz TXHPKRAZSIHCHZ-KZNAEPCWSA-N 2 2 370.501 1.974 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049847 941538065 /nfs/dbraw/zinc/53/80/65/941538065.db2.gz RENOWAVQBXEJNY-HZPDHXFCSA-N 2 2 353.426 1.310 20 30 FDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1cccc2c1CC[NH+](CC(C)(C)O)C2 ZINC000819468849 943604132 /nfs/dbraw/zinc/60/41/32/943604132.db2.gz WCPXXPNUYZWVJC-QGZVFWFLSA-N 2 2 360.502 1.434 20 30 FDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2c1CC[NH+](CC(C)(C)O)C2 ZINC000819468849 943604136 /nfs/dbraw/zinc/60/41/36/943604136.db2.gz WCPXXPNUYZWVJC-QGZVFWFLSA-N 2 2 360.502 1.434 20 30 FDEDLP C[NH+](CCC#N)C[C@H](O)CNc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000819468849 943604141 /nfs/dbraw/zinc/60/41/41/943604141.db2.gz WCPXXPNUYZWVJC-QGZVFWFLSA-N 2 2 360.502 1.434 20 30 FDEDLP C[NH+](CCC#N)C[C@H](O)CNc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000819468849 943604145 /nfs/dbraw/zinc/60/41/45/943604145.db2.gz WCPXXPNUYZWVJC-QGZVFWFLSA-N 2 2 360.502 1.434 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc(OC)c1C(=O)OC ZINC001171067840 946769141 /nfs/dbraw/zinc/76/91/41/946769141.db2.gz FQVYQCRYUNCRSO-LBPRGKRZSA-N 2 2 351.403 1.516 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c[nH+]c(N2CCOCC2)cc1C ZINC001171069447 946784032 /nfs/dbraw/zinc/78/40/32/946784032.db2.gz JXDQSUJPSGXHLL-INIZCTEOSA-N 2 2 362.474 1.865 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001090870262 947387239 /nfs/dbraw/zinc/38/72/39/947387239.db2.gz BPAQVDFAHIYHOE-ZWKOTPCHSA-N 2 2 352.438 1.568 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001086984912 952999902 /nfs/dbraw/zinc/99/99/02/952999902.db2.gz JSKBSMPLXWORFQ-ZYSHUDEJSA-N 2 2 368.485 1.339 20 30 FDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883505 953518993 /nfs/dbraw/zinc/51/89/93/953518993.db2.gz MEBLMDYMWXDJLR-DYXWJJEUSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883505 953519007 /nfs/dbraw/zinc/51/90/07/953519007.db2.gz MEBLMDYMWXDJLR-DYXWJJEUSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883505 953519023 /nfs/dbraw/zinc/51/90/23/953519023.db2.gz MEBLMDYMWXDJLR-DYXWJJEUSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883505 953519037 /nfs/dbraw/zinc/51/90/37/953519037.db2.gz MEBLMDYMWXDJLR-DYXWJJEUSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092291765 954889147 /nfs/dbraw/zinc/88/91/47/954889147.db2.gz JSZKOZNUWIYVLX-DYXWJJEUSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092291765 954889160 /nfs/dbraw/zinc/88/91/60/954889160.db2.gz JSZKOZNUWIYVLX-DYXWJJEUSA-N 2 2 361.530 1.844 20 30 FDEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197058086 972057446 /nfs/dbraw/zinc/05/74/46/972057446.db2.gz NOURFNUKSMHEGH-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001197058086 972057451 /nfs/dbraw/zinc/05/74/51/972057451.db2.gz NOURFNUKSMHEGH-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001092689899 956197968 /nfs/dbraw/zinc/19/79/68/956197968.db2.gz QUYPZLVIAYESGG-SUMDDJOVSA-N 2 2 357.502 1.010 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001092689899 956197974 /nfs/dbraw/zinc/19/79/74/956197974.db2.gz QUYPZLVIAYESGG-SUMDDJOVSA-N 2 2 357.502 1.010 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001092689899 956197985 /nfs/dbraw/zinc/19/79/85/956197985.db2.gz QUYPZLVIAYESGG-SUMDDJOVSA-N 2 2 357.502 1.010 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001092689899 956197994 /nfs/dbraw/zinc/19/79/94/956197994.db2.gz QUYPZLVIAYESGG-SUMDDJOVSA-N 2 2 357.502 1.010 20 30 FDEDLP C=C(C[NH+]1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001183044331 962757653 /nfs/dbraw/zinc/75/76/53/962757653.db2.gz HXDJJNIUPGSGCK-UHFFFAOYSA-N 2 2 371.481 1.769 20 30 FDEDLP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360091 963166142 /nfs/dbraw/zinc/16/61/42/963166142.db2.gz YEZCZWQSYVPCJA-ARFHVFGLSA-N 2 2 361.490 1.090 20 30 FDEDLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830566 963301513 /nfs/dbraw/zinc/30/15/13/963301513.db2.gz FPOMEVSLBOFEPR-UXHICEINSA-N 2 2 370.497 1.702 20 30 FDEDLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830566 963301523 /nfs/dbraw/zinc/30/15/23/963301523.db2.gz FPOMEVSLBOFEPR-UXHICEINSA-N 2 2 370.497 1.702 20 30 FDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC12CCOCC2 ZINC001186504111 964531538 /nfs/dbraw/zinc/53/15/38/964531538.db2.gz LUKXKUIBIDJRCE-GVDBMIGSSA-N 2 2 358.486 1.554 20 30 FDEDLP O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000852857430 967661661 /nfs/dbraw/zinc/66/16/61/967661661.db2.gz SKLRFJADQVJLAE-UHFFFAOYSA-N 2 2 368.481 1.209 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665022 967998595 /nfs/dbraw/zinc/99/85/95/967998595.db2.gz IOGMFBDTZGMHMC-KURKYZTESA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665022 967998600 /nfs/dbraw/zinc/99/86/00/967998600.db2.gz IOGMFBDTZGMHMC-KURKYZTESA-N 2 2 374.529 1.393 20 30 FDEDLP S=C(NCCC[NH+]1CCOCC1)NN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848399999 976719278 /nfs/dbraw/zinc/71/92/78/976719278.db2.gz ABVSEIBTWCFARK-MRXNPFEDSA-N 2 2 353.536 1.177 20 30 FDEDLP S=C(NCCC[NH+]1CCOCC1)NN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848399999 976719293 /nfs/dbraw/zinc/71/92/93/976719293.db2.gz ABVSEIBTWCFARK-MRXNPFEDSA-N 2 2 353.536 1.177 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884450290 983162380 /nfs/dbraw/zinc/16/23/80/983162380.db2.gz DKBYOJMIJUZIEJ-NXHRZFHOSA-N 2 2 359.470 1.317 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884450290 983162383 /nfs/dbraw/zinc/16/23/83/983162383.db2.gz DKBYOJMIJUZIEJ-NXHRZFHOSA-N 2 2 359.470 1.317 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110821868 984418565 /nfs/dbraw/zinc/41/85/65/984418565.db2.gz NCMBPHLXIPPVOO-SUMDDJOVSA-N 2 2 356.470 1.133 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110821868 984418571 /nfs/dbraw/zinc/41/85/71/984418571.db2.gz NCMBPHLXIPPVOO-SUMDDJOVSA-N 2 2 356.470 1.133 20 30 FDEDLP C#CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427365 986203350 /nfs/dbraw/zinc/20/33/50/986203350.db2.gz IEXPREVYCPKKBA-SFHVURJKSA-N 2 2 365.518 1.778 20 30 FDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427365 986203361 /nfs/dbraw/zinc/20/33/61/986203361.db2.gz IEXPREVYCPKKBA-SFHVURJKSA-N 2 2 365.518 1.778 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H](O)c3ccc(C#N)cc3)c2)CC1 ZINC000870666664 986211780 /nfs/dbraw/zinc/21/17/80/986211780.db2.gz JCDXEKDMBOGIJS-GOSISDBHSA-N 2 2 351.410 1.377 20 30 FDEDLP C=CCN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363512527 989259246 /nfs/dbraw/zinc/25/92/46/989259246.db2.gz VPAIHYWXIFFPGQ-RTWAWAEBSA-N 2 2 359.514 1.442 20 30 FDEDLP C=CCN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363512527 989259258 /nfs/dbraw/zinc/25/92/58/989259258.db2.gz VPAIHYWXIFFPGQ-RTWAWAEBSA-N 2 2 359.514 1.442 20 30 FDEDLP C=CCOC[C@@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925328542 995498291 /nfs/dbraw/zinc/49/82/91/995498291.db2.gz ZFILCKSRDBMGAN-INIZCTEOSA-N 2 2 364.490 1.060 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000270928870 999635690 /nfs/dbraw/zinc/63/56/90/999635690.db2.gz PXFRIPHVXDQPIU-UHFFFAOYSA-N 2 2 369.513 1.987 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000284147498 999778286 /nfs/dbraw/zinc/77/82/86/999778286.db2.gz YVFWZVDCYBWBBU-DLBZAZTESA-N 2 2 361.490 1.203 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111284493 1002737572 /nfs/dbraw/zinc/73/75/72/1002737572.db2.gz ZZLBJZIDMGUDPO-SZXPJGKVSA-N 2 2 371.485 1.173 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111284493 1002737581 /nfs/dbraw/zinc/73/75/81/1002737581.db2.gz ZZLBJZIDMGUDPO-SZXPJGKVSA-N 2 2 371.485 1.173 20 30 FDEDLP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000949475037 1003376060 /nfs/dbraw/zinc/37/60/60/1003376060.db2.gz VEZIDHRZFJFCHO-IAGOWNOFSA-N 2 2 356.470 1.240 20 30 FDEDLP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000949475037 1003376068 /nfs/dbraw/zinc/37/60/68/1003376068.db2.gz VEZIDHRZFJFCHO-IAGOWNOFSA-N 2 2 356.470 1.240 20 30 FDEDLP COc1cc(C#N)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931217287 1003968045 /nfs/dbraw/zinc/96/80/45/1003968045.db2.gz OPOFATDGKMXIIA-UHFFFAOYSA-N 2 2 356.470 1.855 20 30 FDEDLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1F ZINC000512631192 538977845 /nfs/dbraw/zinc/97/78/45/538977845.db2.gz PUVOUXUFFOGTRW-GOEBONIOSA-N 2 2 360.433 1.281 20 30 FDEDLP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)S1 ZINC000177209162 174113887 /nfs/dbraw/zinc/11/38/87/174113887.db2.gz RSKXPASNTHUYLB-ZBFHGGJFSA-N 2 2 360.483 1.407 20 30 FDEDLP Cc1nc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1C#N ZINC000179226547 258346214 /nfs/dbraw/zinc/34/62/14/258346214.db2.gz ULYFSKXUOZUFNS-JWTNVVGKSA-N 2 2 353.470 1.645 20 30 FDEDLP Cc1nc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1C#N ZINC000179226547 258346215 /nfs/dbraw/zinc/34/62/15/258346215.db2.gz ULYFSKXUOZUFNS-JWTNVVGKSA-N 2 2 353.470 1.645 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000043311737 521852999 /nfs/dbraw/zinc/85/29/99/521852999.db2.gz OWTVFBFWGHCWBE-UHFFFAOYSA-N 2 2 352.442 1.672 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000043311737 521853008 /nfs/dbraw/zinc/85/30/08/521853008.db2.gz OWTVFBFWGHCWBE-UHFFFAOYSA-N 2 2 352.442 1.672 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000072553842 522320195 /nfs/dbraw/zinc/32/01/95/522320195.db2.gz DCAHEAXDVHOGDW-SFHVURJKSA-N 2 2 369.513 1.228 20 30 FDEDLP CCc1nc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000067100073 523319278 /nfs/dbraw/zinc/31/92/78/523319278.db2.gz GZJGOFHBVZCGGQ-UHFFFAOYSA-N 2 2 372.473 1.629 20 30 FDEDLP CCc1nc(CO[NH+]=C(N)CC[NH+]2CCN(Cc3ccccc3)CC2)no1 ZINC000067100073 523319283 /nfs/dbraw/zinc/31/92/83/523319283.db2.gz GZJGOFHBVZCGGQ-UHFFFAOYSA-N 2 2 372.473 1.629 20 30 FDEDLP COc1cc(C#N)ccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000121404591 524248440 /nfs/dbraw/zinc/24/84/40/524248440.db2.gz ZPMCITNIQURENO-UHFFFAOYSA-N 2 2 370.497 1.943 20 30 FDEDLP C[NH+]1CCN(c2cc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)ccn2)CC1 ZINC000115597162 525032376 /nfs/dbraw/zinc/03/23/76/525032376.db2.gz GKPAFCMHOKRYOP-IBGZPJMESA-N 2 2 364.453 1.021 20 30 FDEDLP Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177143606 525247449 /nfs/dbraw/zinc/24/74/49/525247449.db2.gz KEBVKRBOINPGQJ-UHFFFAOYSA-N 2 2 374.533 1.488 20 30 FDEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000104155684 525397818 /nfs/dbraw/zinc/39/78/18/525397818.db2.gz HUYAQOCZKFQLLC-MRXNPFEDSA-N 3 2 365.547 1.512 20 30 FDEDLP C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843770 525560816 /nfs/dbraw/zinc/56/08/16/525560816.db2.gz PBVGNNQIZKQGCL-INIZCTEOSA-N 2 2 366.469 1.956 20 30 FDEDLP C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843770 525560824 /nfs/dbraw/zinc/56/08/24/525560824.db2.gz PBVGNNQIZKQGCL-INIZCTEOSA-N 2 2 366.469 1.956 20 30 FDEDLP C[NH+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843770 525560833 /nfs/dbraw/zinc/56/08/33/525560833.db2.gz PBVGNNQIZKQGCL-INIZCTEOSA-N 2 2 366.469 1.956 20 30 FDEDLP C[NH+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843770 525560842 /nfs/dbraw/zinc/56/08/42/525560842.db2.gz PBVGNNQIZKQGCL-INIZCTEOSA-N 2 2 366.469 1.956 20 30 FDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156103246 526057238 /nfs/dbraw/zinc/05/72/38/526057238.db2.gz JIBKAXQVYVMOJS-UHFFFAOYSA-N 2 2 358.486 1.813 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000171740638 526103584 /nfs/dbraw/zinc/10/35/84/526103584.db2.gz ZYFXNZFOCRSMKS-UHFFFAOYSA-N 3 2 351.539 1.304 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000171740638 526103593 /nfs/dbraw/zinc/10/35/93/526103593.db2.gz ZYFXNZFOCRSMKS-UHFFFAOYSA-N 3 2 351.539 1.304 20 30 FDEDLP C=CCN1CC[C@H]([NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000286008670 537401426 /nfs/dbraw/zinc/40/14/26/537401426.db2.gz PGTUTZANQBPPCA-RTWAWAEBSA-N 2 2 368.525 1.665 20 30 FDEDLP C=CCN1CC[C@H]([NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000286008670 537401435 /nfs/dbraw/zinc/40/14/35/537401435.db2.gz PGTUTZANQBPPCA-RTWAWAEBSA-N 2 2 368.525 1.665 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000329864103 537644099 /nfs/dbraw/zinc/64/40/99/537644099.db2.gz SLDNUXATTPHJBP-MSOLQXFVSA-N 2 2 353.507 1.943 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000329864103 537644102 /nfs/dbraw/zinc/64/41/02/537644102.db2.gz SLDNUXATTPHJBP-MSOLQXFVSA-N 2 2 353.507 1.943 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329864103 537644105 /nfs/dbraw/zinc/64/41/05/537644105.db2.gz SLDNUXATTPHJBP-MSOLQXFVSA-N 2 2 353.507 1.943 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329864103 537644108 /nfs/dbraw/zinc/64/41/08/537644108.db2.gz SLDNUXATTPHJBP-MSOLQXFVSA-N 2 2 353.507 1.943 20 30 FDEDLP CC[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000330226664 537651830 /nfs/dbraw/zinc/65/18/30/537651830.db2.gz OWEJRIREAKATRQ-XMTFNYHQSA-N 2 2 368.522 1.052 20 30 FDEDLP COCC[NH+](CCOC)C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000285473738 537717970 /nfs/dbraw/zinc/71/79/70/537717970.db2.gz KWMCCQRSQIBPHF-HXUWFJFHSA-N 2 2 361.486 1.651 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000285526682 537726713 /nfs/dbraw/zinc/72/67/13/537726713.db2.gz PLTQKJGPWNMRCS-GOSISDBHSA-N 2 2 367.534 1.635 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000375900712 537793821 /nfs/dbraw/zinc/79/38/21/537793821.db2.gz HZWKTVSMWMLUNI-GOSISDBHSA-N 2 2 361.534 1.429 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000375900712 537793829 /nfs/dbraw/zinc/79/38/29/537793829.db2.gz HZWKTVSMWMLUNI-GOSISDBHSA-N 2 2 361.534 1.429 20 30 FDEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000377482145 537963960 /nfs/dbraw/zinc/96/39/60/537963960.db2.gz SLODRUAOBIOMTF-UHFFFAOYSA-N 2 2 356.470 1.931 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000369961668 538081874 /nfs/dbraw/zinc/08/18/74/538081874.db2.gz LNNGSTBBZPIBOP-MNEFBYGVSA-N 2 2 356.470 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000369961668 538081880 /nfs/dbraw/zinc/08/18/80/538081880.db2.gz LNNGSTBBZPIBOP-MNEFBYGVSA-N 2 2 356.470 1.976 20 30 FDEDLP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000483216241 538689021 /nfs/dbraw/zinc/68/90/21/538689021.db2.gz KAMAUHKRUZAZFG-MRXNPFEDSA-N 2 2 371.485 1.943 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CC3(C#N)CCC3)CC2)CC1 ZINC000566793848 547887523 /nfs/dbraw/zinc/88/75/23/547887523.db2.gz HRXXGYFRUJTZIK-UHFFFAOYSA-N 2 2 368.547 1.502 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CC3(C#N)CCC3)CC2)CC1 ZINC000566793848 547887525 /nfs/dbraw/zinc/88/75/25/547887525.db2.gz HRXXGYFRUJTZIK-UHFFFAOYSA-N 2 2 368.547 1.502 20 30 FDEDLP CN(CCC#N)C[C@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000583258750 551326228 /nfs/dbraw/zinc/32/62/28/551326228.db2.gz SGZUNVNUVMIJMB-QGZVFWFLSA-N 2 2 354.564 1.534 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000592184716 551955273 /nfs/dbraw/zinc/95/52/73/551955273.db2.gz NNVPBXAPIFQCBF-LJQANCHMSA-N 2 2 368.481 1.850 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000592184716 551955274 /nfs/dbraw/zinc/95/52/74/551955274.db2.gz NNVPBXAPIFQCBF-LJQANCHMSA-N 2 2 368.481 1.850 20 30 FDEDLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594446773 552311999 /nfs/dbraw/zinc/31/19/99/552311999.db2.gz SHLKZLDKDXXSIV-GOSISDBHSA-N 2 2 371.485 1.700 20 30 FDEDLP Cn1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000595863077 552625204 /nfs/dbraw/zinc/62/52/04/552625204.db2.gz KLKIGIMMGDTEMG-FQEVSTJZSA-N 2 2 365.481 1.990 20 30 FDEDLP Cn1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000595863077 552625205 /nfs/dbraw/zinc/62/52/05/552625205.db2.gz KLKIGIMMGDTEMG-FQEVSTJZSA-N 2 2 365.481 1.990 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596974569 552730472 /nfs/dbraw/zinc/73/04/72/552730472.db2.gz PYCUHNIIQFMFKD-KRWDZBQOSA-N 2 2 351.454 1.977 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596974569 552730473 /nfs/dbraw/zinc/73/04/73/552730473.db2.gz PYCUHNIIQFMFKD-KRWDZBQOSA-N 2 2 351.454 1.977 20 30 FDEDLP C[NH+]1CCC(C#N)(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000597166816 552756352 /nfs/dbraw/zinc/75/63/52/552756352.db2.gz RUPCOQJRZSXVPI-UHFFFAOYSA-N 2 2 351.454 1.874 20 30 FDEDLP C[NH+]1CCC(C#N)(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000597166816 552756353 /nfs/dbraw/zinc/75/63/53/552756353.db2.gz RUPCOQJRZSXVPI-UHFFFAOYSA-N 2 2 351.454 1.874 20 30 FDEDLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)c1 ZINC000599285252 553014760 /nfs/dbraw/zinc/01/47/60/553014760.db2.gz NJLQUGBVCMNFBQ-MRXNPFEDSA-N 2 2 360.458 1.284 20 30 FDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000600739731 553309552 /nfs/dbraw/zinc/30/95/52/553309552.db2.gz UELBVXJVNKDBGV-VQTJNVASSA-N 2 2 373.497 1.067 20 30 FDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000600739731 553309554 /nfs/dbraw/zinc/30/95/54/553309554.db2.gz UELBVXJVNKDBGV-VQTJNVASSA-N 2 2 373.497 1.067 20 30 FDEDLP CC(C)[C@@H](C#N)N1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602794112 553640299 /nfs/dbraw/zinc/64/02/99/553640299.db2.gz FNWIVHNFYCYSDK-RTWAWAEBSA-N 2 2 356.514 1.789 20 30 FDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000610497442 554519207 /nfs/dbraw/zinc/51/92/07/554519207.db2.gz UWUWAWVQJBOTMW-UHFFFAOYSA-N 2 2 351.472 1.034 20 30 FDEDLP C=C1CC(C)(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000630944867 557962276 /nfs/dbraw/zinc/96/22/76/557962276.db2.gz YYFHPOFUICMUTK-UHFFFAOYSA-N 2 2 362.518 1.040 20 30 FDEDLP CN(C(=O)COc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365229406 568337614 /nfs/dbraw/zinc/33/76/14/568337614.db2.gz SOVMILUIPYUHMG-SFHVURJKSA-N 2 2 356.470 1.564 20 30 FDEDLP CN(C(=O)COc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365229406 568337615 /nfs/dbraw/zinc/33/76/15/568337615.db2.gz SOVMILUIPYUHMG-SFHVURJKSA-N 2 2 356.470 1.564 20 30 FDEDLP COc1ccc([C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[NH+](C)C)cc1OC ZINC000195522060 672408132 /nfs/dbraw/zinc/40/81/32/672408132.db2.gz SSBAWFHRLPQBPZ-CABCVRRESA-N 2 2 350.463 1.390 20 30 FDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 ZINC000237114712 672420713 /nfs/dbraw/zinc/42/07/13/672420713.db2.gz ORVFXCOSJSAHPI-UHFFFAOYSA-N 2 2 367.877 1.953 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000248510947 672534985 /nfs/dbraw/zinc/53/49/85/672534985.db2.gz ARFCKCROCUXVME-CVEARBPZSA-N 2 2 366.531 1.546 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000248510947 672534988 /nfs/dbraw/zinc/53/49/88/672534988.db2.gz ARFCKCROCUXVME-CVEARBPZSA-N 2 2 366.531 1.546 20 30 FDEDLP [NH2+]=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCSCC1 ZINC000303880175 676543541 /nfs/dbraw/zinc/54/35/41/676543541.db2.gz KCAOXRYWHJVPSY-UHFFFAOYSA-N 2 2 364.515 1.261 20 30 FDEDLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1)[NH+]1CCOCC1 ZINC000328836658 676609056 /nfs/dbraw/zinc/60/90/56/676609056.db2.gz MTWZSAVXCXLUCK-KRWDZBQOSA-N 2 2 353.507 1.802 20 30 FDEDLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](C2CCOCC2)C1)[NH+]1CCOCC1 ZINC000328836658 676609059 /nfs/dbraw/zinc/60/90/59/676609059.db2.gz MTWZSAVXCXLUCK-KRWDZBQOSA-N 2 2 353.507 1.802 20 30 FDEDLP C(#CC[N@@H+]1CCS[C@H]2COCC[C@H]21)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000372697449 677961760 /nfs/dbraw/zinc/96/17/60/677961760.db2.gz XVQPTRCLQNBIQP-FZDBZEDMSA-N 2 2 368.568 1.402 20 30 FDEDLP C(#CC[N@H+]1CCS[C@H]2COCC[C@H]21)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000372697449 677961766 /nfs/dbraw/zinc/96/17/66/677961766.db2.gz XVQPTRCLQNBIQP-FZDBZEDMSA-N 2 2 368.568 1.402 20 30 FDEDLP C(#CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)C[NH+]1CCS[C@H]2COCC[C@H]21 ZINC000372697449 677961768 /nfs/dbraw/zinc/96/17/68/677961768.db2.gz XVQPTRCLQNBIQP-FZDBZEDMSA-N 2 2 368.568 1.402 20 30 FDEDLP C(#CC[N@H+]1CCS[C@@H]2COCC[C@@H]21)C[NH+]1CCS[C@H]2COCC[C@H]21 ZINC000372697449 677961772 /nfs/dbraw/zinc/96/17/72/677961772.db2.gz XVQPTRCLQNBIQP-FZDBZEDMSA-N 2 2 368.568 1.402 20 30 FDEDLP C=CCC[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000458484114 684272889 /nfs/dbraw/zinc/27/28/89/684272889.db2.gz UKFHLHZZHBZAFY-QGZVFWFLSA-N 2 2 352.523 1.563 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000487797724 687002931 /nfs/dbraw/zinc/00/29/31/687002931.db2.gz JXDSJFNUTCJBQE-INIZCTEOSA-N 2 2 352.523 1.332 20 30 FDEDLP C=CCCC[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000487797724 687002936 /nfs/dbraw/zinc/00/29/36/687002936.db2.gz JXDSJFNUTCJBQE-INIZCTEOSA-N 2 2 352.523 1.332 20 30 FDEDLP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083192995 771018193 /nfs/dbraw/zinc/01/81/93/771018193.db2.gz XLVKJHWEEGCTCM-FFZOFVMBSA-N 2 2 368.481 1.312 20 30 FDEDLP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083192995 771018199 /nfs/dbraw/zinc/01/81/99/771018199.db2.gz XLVKJHWEEGCTCM-FFZOFVMBSA-N 2 2 368.481 1.312 20 30 FDEDLP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083192995 771018204 /nfs/dbraw/zinc/01/82/04/771018204.db2.gz XLVKJHWEEGCTCM-FFZOFVMBSA-N 2 2 368.481 1.312 20 30 FDEDLP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083192995 771018211 /nfs/dbraw/zinc/01/82/11/771018211.db2.gz XLVKJHWEEGCTCM-FFZOFVMBSA-N 2 2 368.481 1.312 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104364040 777492546 /nfs/dbraw/zinc/49/25/46/777492546.db2.gz UHWUZVMEVCBCRB-KZNAEPCWSA-N 2 2 358.486 1.170 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000377829998 792884642 /nfs/dbraw/zinc/88/46/42/792884642.db2.gz AARWSKPQIGIIHG-IBGZPJMESA-N 2 2 355.486 1.597 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000377829998 792884658 /nfs/dbraw/zinc/88/46/58/792884658.db2.gz AARWSKPQIGIIHG-IBGZPJMESA-N 2 2 355.486 1.597 20 30 FDEDLP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H](C)O2 ZINC001098610920 794243095 /nfs/dbraw/zinc/24/30/95/794243095.db2.gz QSMYVVQBOPIMEX-BRWVUGGUSA-N 2 2 356.470 1.618 20 30 FDEDLP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001098610920 794243102 /nfs/dbraw/zinc/24/31/02/794243102.db2.gz QSMYVVQBOPIMEX-BRWVUGGUSA-N 2 2 356.470 1.618 20 30 FDEDLP C=CC[C@@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000662756023 803069574 /nfs/dbraw/zinc/06/95/74/803069574.db2.gz GXJPPTMUNAXTJY-FQEVSTJZSA-N 2 2 360.477 1.762 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2C#N)O1 ZINC001027966600 807130370 /nfs/dbraw/zinc/13/03/70/807130370.db2.gz RQKYTXCGEGYJMF-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2C#N)O1 ZINC001027966600 807130374 /nfs/dbraw/zinc/13/03/74/807130374.db2.gz RQKYTXCGEGYJMF-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)O1 ZINC001027966600 807130378 /nfs/dbraw/zinc/13/03/78/807130378.db2.gz RQKYTXCGEGYJMF-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)O1 ZINC001027966600 807130386 /nfs/dbraw/zinc/13/03/86/807130386.db2.gz RQKYTXCGEGYJMF-AYOQOUSVSA-N 2 2 356.470 1.358 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000663668631 808406013 /nfs/dbraw/zinc/40/60/13/808406013.db2.gz PWNMCUVSNBGQFO-OALUTQOASA-N 2 2 364.534 1.801 20 30 FDEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001087443775 809793764 /nfs/dbraw/zinc/79/37/64/809793764.db2.gz FBTXSBVAADSTGE-NJYVYQBISA-N 2 2 369.509 1.705 20 30 FDEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001087443775 809793768 /nfs/dbraw/zinc/79/37/68/809793768.db2.gz FBTXSBVAADSTGE-NJYVYQBISA-N 2 2 369.509 1.705 20 30 FDEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001087443775 809793771 /nfs/dbraw/zinc/79/37/71/809793771.db2.gz FBTXSBVAADSTGE-NJYVYQBISA-N 2 2 369.509 1.705 20 30 FDEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001087443775 809793775 /nfs/dbraw/zinc/79/37/75/809793775.db2.gz FBTXSBVAADSTGE-NJYVYQBISA-N 2 2 369.509 1.705 20 30 FDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000328795272 819558012 /nfs/dbraw/zinc/55/80/12/819558012.db2.gz TXWSEBVSQIFXKL-MRXNPFEDSA-N 2 2 361.490 1.768 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nccc(C)n3)CC[C@@H]2C1 ZINC001087998085 825075327 /nfs/dbraw/zinc/07/53/27/825075327.db2.gz QDEIPRBQWNANNT-QYZOEREBSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nccc(C)n3)CC[C@@H]2C1 ZINC001087998085 825075333 /nfs/dbraw/zinc/07/53/33/825075333.db2.gz QDEIPRBQWNANNT-QYZOEREBSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccc(C)n3)CC[C@@H]2C1 ZINC001087998085 825075339 /nfs/dbraw/zinc/07/53/39/825075339.db2.gz QDEIPRBQWNANNT-QYZOEREBSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccc(C)n3)CC[C@@H]2C1 ZINC001087998085 825075345 /nfs/dbraw/zinc/07/53/45/825075345.db2.gz QDEIPRBQWNANNT-QYZOEREBSA-N 2 2 367.497 1.163 20 30 FDEDLP [O-]C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202191 825730682 /nfs/dbraw/zinc/73/06/82/825730682.db2.gz YYKDDERJGCWUMQ-ZACQAIPSSA-N 2 2 361.490 1.469 20 30 FDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330202191 825730685 /nfs/dbraw/zinc/73/06/85/825730685.db2.gz YYKDDERJGCWUMQ-ZACQAIPSSA-N 2 2 361.490 1.469 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079294 826130828 /nfs/dbraw/zinc/13/08/28/826130828.db2.gz WKOWCXCLLBFLFM-HBFSDRIKSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079294 826130829 /nfs/dbraw/zinc/13/08/29/826130829.db2.gz WKOWCXCLLBFLFM-HBFSDRIKSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079294 826130831 /nfs/dbraw/zinc/13/08/31/826130831.db2.gz WKOWCXCLLBFLFM-HBFSDRIKSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079294 826130833 /nfs/dbraw/zinc/13/08/33/826130833.db2.gz WKOWCXCLLBFLFM-HBFSDRIKSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079295 826130904 /nfs/dbraw/zinc/13/09/04/826130904.db2.gz WKOWCXCLLBFLFM-WSTZPKSXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079295 826130905 /nfs/dbraw/zinc/13/09/05/826130905.db2.gz WKOWCXCLLBFLFM-WSTZPKSXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079295 826130907 /nfs/dbraw/zinc/13/09/07/826130907.db2.gz WKOWCXCLLBFLFM-WSTZPKSXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079295 826130910 /nfs/dbraw/zinc/13/09/10/826130910.db2.gz WKOWCXCLLBFLFM-WSTZPKSXSA-N 2 2 361.530 1.986 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088126684 826531414 /nfs/dbraw/zinc/53/14/14/826531414.db2.gz QVARXCGIWLWMJG-MOPGFXCFSA-N 2 2 359.514 1.435 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088126684 826531416 /nfs/dbraw/zinc/53/14/16/826531416.db2.gz QVARXCGIWLWMJG-MOPGFXCFSA-N 2 2 359.514 1.435 20 30 FDEDLP C=CCNC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000301870999 827677789 /nfs/dbraw/zinc/67/77/89/827677789.db2.gz WPVVQYIZLQTGNG-DFNIBXOVSA-N 2 2 369.513 1.745 20 30 FDEDLP C=CCNC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000301870999 827677794 /nfs/dbraw/zinc/67/77/94/827677794.db2.gz WPVVQYIZLQTGNG-DFNIBXOVSA-N 2 2 369.513 1.745 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000079460294 828956105 /nfs/dbraw/zinc/95/61/05/828956105.db2.gz FPRRJAZZIRCLQE-IBGZPJMESA-N 2 2 367.497 1.870 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000079460294 828956111 /nfs/dbraw/zinc/95/61/11/828956111.db2.gz FPRRJAZZIRCLQE-IBGZPJMESA-N 2 2 367.497 1.870 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083456287 837340173 /nfs/dbraw/zinc/34/01/73/837340173.db2.gz OSOBWPNSIGYOKI-QRVBRYPASA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083456287 837340183 /nfs/dbraw/zinc/34/01/83/837340183.db2.gz OSOBWPNSIGYOKI-QRVBRYPASA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083456287 837340192 /nfs/dbraw/zinc/34/01/92/837340192.db2.gz OSOBWPNSIGYOKI-QRVBRYPASA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083456287 837340199 /nfs/dbraw/zinc/34/01/99/837340199.db2.gz OSOBWPNSIGYOKI-QRVBRYPASA-N 2 2 356.470 1.092 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)C1=O ZINC001088710429 842192381 /nfs/dbraw/zinc/19/23/81/842192381.db2.gz NDZOGFCCYYKBSZ-JLSDUUJJSA-N 2 2 367.453 1.314 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)C1=O ZINC001088710429 842192385 /nfs/dbraw/zinc/19/23/85/842192385.db2.gz NDZOGFCCYYKBSZ-JLSDUUJJSA-N 2 2 367.453 1.314 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001105668080 843753687 /nfs/dbraw/zinc/75/36/87/843753687.db2.gz WCTNFHPLIXRZTG-IZBJGVDFSA-N 2 2 360.502 1.505 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083524518 846265592 /nfs/dbraw/zinc/26/55/92/846265592.db2.gz XZQCIIQRLUIRSW-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083524518 846265603 /nfs/dbraw/zinc/26/56/03/846265603.db2.gz XZQCIIQRLUIRSW-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083524518 846265614 /nfs/dbraw/zinc/26/56/14/846265614.db2.gz XZQCIIQRLUIRSW-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083524518 846265625 /nfs/dbraw/zinc/26/56/25/846265625.db2.gz XZQCIIQRLUIRSW-AQNXPRMDSA-N 2 2 370.497 1.482 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1O ZINC001083536013 846924324 /nfs/dbraw/zinc/92/43/24/846924324.db2.gz ZGCYIBJBFKTVNR-HKBOAZHASA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1O ZINC001083536013 846924335 /nfs/dbraw/zinc/92/43/35/846924335.db2.gz ZGCYIBJBFKTVNR-HKBOAZHASA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C3CC3)cc2)C[C@@H]1O ZINC001083536013 846924339 /nfs/dbraw/zinc/92/43/39/846924339.db2.gz ZGCYIBJBFKTVNR-HKBOAZHASA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C3CC3)cc2)C[C@@H]1O ZINC001083536013 846924348 /nfs/dbraw/zinc/92/43/48/846924348.db2.gz ZGCYIBJBFKTVNR-HKBOAZHASA-N 2 2 367.493 1.323 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906775495 853302164 /nfs/dbraw/zinc/30/21/64/853302164.db2.gz UPAAFXZCNYDWIG-UHFFFAOYSA-N 2 2 358.486 1.038 20 30 FDEDLP C#CCCCc1nnc(N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)n1C ZINC000908532172 855539903 /nfs/dbraw/zinc/53/99/03/855539903.db2.gz XTZYEJQUJGXNAX-UHFFFAOYSA-N 2 2 358.534 1.767 20 30 FDEDLP C#CCCCc1nnc(N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)n1C ZINC000908532172 855539907 /nfs/dbraw/zinc/53/99/07/855539907.db2.gz XTZYEJQUJGXNAX-UHFFFAOYSA-N 2 2 358.534 1.767 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129048390 885528782 /nfs/dbraw/zinc/52/87/82/885528782.db2.gz ATUSYACWSRVSRA-MSOLQXFVSA-N 2 2 371.489 1.722 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129048390 885528802 /nfs/dbraw/zinc/52/88/02/885528802.db2.gz ATUSYACWSRVSRA-MSOLQXFVSA-N 2 2 371.489 1.722 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129048390 885528823 /nfs/dbraw/zinc/52/88/23/885528823.db2.gz ATUSYACWSRVSRA-MSOLQXFVSA-N 2 2 371.489 1.722 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129048390 885528840 /nfs/dbraw/zinc/52/88/40/885528840.db2.gz ATUSYACWSRVSRA-MSOLQXFVSA-N 2 2 371.489 1.722 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000923575948 889910872 /nfs/dbraw/zinc/91/08/72/889910872.db2.gz GRDBCZCQXUDVFI-HXUWFJFHSA-N 2 2 354.498 1.261 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000923575948 889910875 /nfs/dbraw/zinc/91/08/75/889910875.db2.gz GRDBCZCQXUDVFI-HXUWFJFHSA-N 2 2 354.498 1.261 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)cc1C#N ZINC001084231987 913782632 /nfs/dbraw/zinc/78/26/32/913782632.db2.gz QVIOJXBTYUVVMU-BHIYHBOVSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)cc1C#N ZINC001084231987 913782642 /nfs/dbraw/zinc/78/26/42/913782642.db2.gz QVIOJXBTYUVVMU-BHIYHBOVSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1C#N ZINC001084231987 913782644 /nfs/dbraw/zinc/78/26/44/913782644.db2.gz QVIOJXBTYUVVMU-BHIYHBOVSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)cc1C#N ZINC001084231987 913782653 /nfs/dbraw/zinc/78/26/53/913782653.db2.gz QVIOJXBTYUVVMU-BHIYHBOVSA-N 2 2 368.481 1.694 20 30 FDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959310 897321614 /nfs/dbraw/zinc/32/16/14/897321614.db2.gz HMTAPZTYJPNJKJ-GVDBMIGSSA-N 2 2 358.486 1.697 20 30 FDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959310 897321629 /nfs/dbraw/zinc/32/16/29/897321629.db2.gz HMTAPZTYJPNJKJ-GVDBMIGSSA-N 2 2 358.486 1.697 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083167434 901916329 /nfs/dbraw/zinc/91/63/29/901916329.db2.gz OLUQKAIIDCECIT-MRXNPFEDSA-N 3 2 353.474 1.477 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083167434 901916331 /nfs/dbraw/zinc/91/63/31/901916331.db2.gz OLUQKAIIDCECIT-MRXNPFEDSA-N 3 2 353.474 1.477 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248406 902265806 /nfs/dbraw/zinc/26/58/06/902265806.db2.gz XPMZKGLMRZXPJB-FGTMMUONSA-N 2 2 370.497 1.571 20 30 FDEDLP C=CC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079272580 902336488 /nfs/dbraw/zinc/33/64/88/902336488.db2.gz NPSMVBPTYJBSEN-ZWKOTPCHSA-N 2 2 358.486 1.478 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079844012 903490047 /nfs/dbraw/zinc/49/00/47/903490047.db2.gz VLEQHNBRNRWETJ-KBRIMQKVSA-N 2 2 355.910 1.819 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079844012 903490057 /nfs/dbraw/zinc/49/00/57/903490057.db2.gz VLEQHNBRNRWETJ-KBRIMQKVSA-N 2 2 355.910 1.819 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001079844012 903490064 /nfs/dbraw/zinc/49/00/64/903490064.db2.gz VLEQHNBRNRWETJ-KBRIMQKVSA-N 2 2 355.910 1.819 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001079844012 903490069 /nfs/dbraw/zinc/49/00/69/903490069.db2.gz VLEQHNBRNRWETJ-KBRIMQKVSA-N 2 2 355.910 1.819 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1C ZINC001079878296 903602619 /nfs/dbraw/zinc/60/26/19/903602619.db2.gz QPYPOHWHZXAJJJ-XYPHTWIQSA-N 2 2 360.527 1.794 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@H]1C ZINC001079878296 903602626 /nfs/dbraw/zinc/60/26/26/903602626.db2.gz QPYPOHWHZXAJJJ-XYPHTWIQSA-N 2 2 360.527 1.794 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2sc(C)nc2C)C[C@H]1C ZINC001079878296 903602640 /nfs/dbraw/zinc/60/26/40/903602640.db2.gz QPYPOHWHZXAJJJ-XYPHTWIQSA-N 2 2 360.527 1.794 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2sc(C)nc2C)C[C@H]1C ZINC001079878296 903602645 /nfs/dbraw/zinc/60/26/45/903602645.db2.gz QPYPOHWHZXAJJJ-XYPHTWIQSA-N 2 2 360.527 1.794 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001081683949 904933130 /nfs/dbraw/zinc/93/31/30/904933130.db2.gz XGVJYXQKTVEDMQ-NCXUSEDFSA-N 2 2 372.513 1.936 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001081683949 904933140 /nfs/dbraw/zinc/93/31/40/904933140.db2.gz XGVJYXQKTVEDMQ-NCXUSEDFSA-N 2 2 372.513 1.936 20 30 FDEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001081766873 905051553 /nfs/dbraw/zinc/05/15/53/905051553.db2.gz HJVMHTGUPCDSKI-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001081766873 905051571 /nfs/dbraw/zinc/05/15/71/905051571.db2.gz HJVMHTGUPCDSKI-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001081766873 905051587 /nfs/dbraw/zinc/05/15/87/905051587.db2.gz HJVMHTGUPCDSKI-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001081766873 905051606 /nfs/dbraw/zinc/05/16/06/905051606.db2.gz HJVMHTGUPCDSKI-VAMGGRTRSA-N 2 2 370.497 1.748 20 30 FDEDLP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622842 906024668 /nfs/dbraw/zinc/02/46/68/906024668.db2.gz BQPYSQDSMQSBSZ-UYAOXDASSA-N 2 2 360.502 1.916 20 30 FDEDLP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622842 906024683 /nfs/dbraw/zinc/02/46/83/906024683.db2.gz BQPYSQDSMQSBSZ-UYAOXDASSA-N 2 2 360.502 1.916 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082549483 908486958 /nfs/dbraw/zinc/48/69/58/908486958.db2.gz BUEGKNGKHKZPDB-FZKQIMNGSA-N 2 2 355.417 1.990 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082549483 908486972 /nfs/dbraw/zinc/48/69/72/908486972.db2.gz BUEGKNGKHKZPDB-FZKQIMNGSA-N 2 2 355.417 1.990 20 30 FDEDLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084662733 915923402 /nfs/dbraw/zinc/92/34/02/915923402.db2.gz VGVRNSJQXVXSQG-CEWLAPEOSA-N 2 2 351.494 1.913 20 30 FDEDLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084662733 915923410 /nfs/dbraw/zinc/92/34/10/915923410.db2.gz VGVRNSJQXVXSQG-CEWLAPEOSA-N 2 2 351.494 1.913 20 30 FDEDLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084662733 915923414 /nfs/dbraw/zinc/92/34/14/915923414.db2.gz VGVRNSJQXVXSQG-CEWLAPEOSA-N 2 2 351.494 1.913 20 30 FDEDLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084662733 915923419 /nfs/dbraw/zinc/92/34/19/915923419.db2.gz VGVRNSJQXVXSQG-CEWLAPEOSA-N 2 2 351.494 1.913 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000730106304 916096510 /nfs/dbraw/zinc/09/65/10/916096510.db2.gz XVBMPZPOCXHZDJ-NRFANRHFSA-N 2 2 368.525 1.538 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000730106304 916096526 /nfs/dbraw/zinc/09/65/26/916096526.db2.gz XVBMPZPOCXHZDJ-NRFANRHFSA-N 2 2 368.525 1.538 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(C)no3)[C@H]2C1 ZINC001084961185 918908024 /nfs/dbraw/zinc/90/80/24/918908024.db2.gz QONPNYAGDRUHET-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(C)no3)[C@H]2C1 ZINC001084961185 918908031 /nfs/dbraw/zinc/90/80/31/918908031.db2.gz QONPNYAGDRUHET-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cc(C)no3)[C@H]2C1 ZINC001084961185 918908035 /nfs/dbraw/zinc/90/80/35/918908035.db2.gz QONPNYAGDRUHET-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cc(C)no3)[C@H]2C1 ZINC001084961185 918908036 /nfs/dbraw/zinc/90/80/36/918908036.db2.gz QONPNYAGDRUHET-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)s1 ZINC001085229820 922983452 /nfs/dbraw/zinc/98/34/52/922983452.db2.gz LXRIYGPCZZXDDR-OAGGEKHMSA-N 2 2 361.515 1.461 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)s1 ZINC001085229820 922983454 /nfs/dbraw/zinc/98/34/54/922983454.db2.gz LXRIYGPCZZXDDR-OAGGEKHMSA-N 2 2 361.515 1.461 20 30 FDEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001112582945 931751357 /nfs/dbraw/zinc/75/13/57/931751357.db2.gz WTYDLQAOMZRSQV-ZJOUEHCJSA-N 2 2 361.530 1.892 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130022823 938621097 /nfs/dbraw/zinc/62/10/97/938621097.db2.gz NXIOORCEACBTAH-BBWFWOEESA-N 2 2 357.462 1.434 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130023138 938621298 /nfs/dbraw/zinc/62/12/98/938621298.db2.gz XFTPJVXBHKXRAM-BBWFWOEESA-N 2 2 357.462 1.434 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131106337 940501834 /nfs/dbraw/zinc/50/18/34/940501834.db2.gz UUQDVQWEWAPQMJ-HUUCEWRRSA-N 2 2 354.458 1.028 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131136273 940513383 /nfs/dbraw/zinc/51/33/83/940513383.db2.gz FJKCPQDRXSUUNC-IAGOWNOFSA-N 2 2 354.458 1.004 20 30 FDEDLP C[NH+](C)C1CCN(c2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2)CC1 ZINC000819466526 943603569 /nfs/dbraw/zinc/60/35/69/943603569.db2.gz XHEZXIMCDIENFC-HXUWFJFHSA-N 2 2 359.518 1.835 20 30 FDEDLP C[NH+](C)C1CCN(c2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2)CC1 ZINC000819466526 943603571 /nfs/dbraw/zinc/60/35/71/943603571.db2.gz XHEZXIMCDIENFC-HXUWFJFHSA-N 2 2 359.518 1.835 20 30 FDEDLP COC(=O)c1ccc(C(=[NH2+])Nc2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)cc1 ZINC001170985346 944950557 /nfs/dbraw/zinc/95/05/57/944950557.db2.gz RACXSMLUNSBNGT-OAHLLOKOSA-N 2 2 364.409 1.977 20 30 FDEDLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCCC#N)C2)ccn1 ZINC000856599345 971245211 /nfs/dbraw/zinc/24/52/11/971245211.db2.gz OPQSZQMEVCQMAS-GOSISDBHSA-N 2 2 359.474 1.405 20 30 FDEDLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCCC#N)C2)ccn1 ZINC000856599345 971245214 /nfs/dbraw/zinc/24/52/14/971245214.db2.gz OPQSZQMEVCQMAS-GOSISDBHSA-N 2 2 359.474 1.405 20 30 FDEDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)NCCC#N)C2)ccn1 ZINC000856599345 971245218 /nfs/dbraw/zinc/24/52/18/971245218.db2.gz OPQSZQMEVCQMAS-GOSISDBHSA-N 2 2 359.474 1.405 20 30 FDEDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)NCCC#N)C2)ccn1 ZINC000856599345 971245226 /nfs/dbraw/zinc/24/52/26/971245226.db2.gz OPQSZQMEVCQMAS-GOSISDBHSA-N 2 2 359.474 1.405 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1cnn(C)c1 ZINC001086983796 952997987 /nfs/dbraw/zinc/99/79/87/952997987.db2.gz IQOPHZPBZQSMPO-DLBZAZTESA-N 2 2 356.474 1.430 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086984905 952999887 /nfs/dbraw/zinc/99/98/87/952999887.db2.gz JNQZOLYUHQUPHZ-RYQLBKOJSA-N 2 2 368.485 1.339 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1cnn(C)c1 ZINC001086985012 953000679 /nfs/dbraw/zinc/00/06/79/953000679.db2.gz PCURGHFSUUPGEV-ZYSHUDEJSA-N 2 2 368.485 1.339 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1ccc(C#N)nc1 ZINC001092314793 954812912 /nfs/dbraw/zinc/81/29/12/954812912.db2.gz RYWWBTVLDVPZQL-IAGOWNOFSA-N 2 2 367.457 1.045 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC001092319524 954831018 /nfs/dbraw/zinc/83/10/18/954831018.db2.gz PWJWEJBZWNGIKD-XLIONFOSSA-N 2 2 367.428 1.874 20 30 FDEDLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001092319524 954831022 /nfs/dbraw/zinc/83/10/22/954831022.db2.gz PWJWEJBZWNGIKD-XLIONFOSSA-N 2 2 367.428 1.874 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001092688823 956192700 /nfs/dbraw/zinc/19/27/00/956192700.db2.gz BMHWKQVZDNXZEC-OIISXLGYSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001092688823 956192705 /nfs/dbraw/zinc/19/27/05/956192705.db2.gz BMHWKQVZDNXZEC-OIISXLGYSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(C)cs2)C[C@H]1C ZINC001092688823 956192714 /nfs/dbraw/zinc/19/27/14/956192714.db2.gz BMHWKQVZDNXZEC-OIISXLGYSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(C)cs2)C[C@H]1C ZINC001092688823 956192723 /nfs/dbraw/zinc/19/27/23/956192723.db2.gz BMHWKQVZDNXZEC-OIISXLGYSA-N 2 2 360.527 1.733 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093472738 958239974 /nfs/dbraw/zinc/23/99/74/958239974.db2.gz MTHMCFUWHZXVLS-DTDBQYNISA-N 2 2 366.893 1.671 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001093476428 958254385 /nfs/dbraw/zinc/25/43/85/958254385.db2.gz AYIAGAARZPBSNR-IZBJGVDFSA-N 2 2 360.502 1.505 20 30 FDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171879194 961357617 /nfs/dbraw/zinc/35/76/17/961357617.db2.gz QWEXGYGWSSFQDC-QRVBRYPASA-N 2 2 365.518 1.154 20 30 FDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC12CCOCC2 ZINC001186403043 964474253 /nfs/dbraw/zinc/47/42/53/964474253.db2.gz ZPTAQSOEYGUMEE-BRWVUGGUSA-N 2 2 356.470 1.381 20 30 FDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC12CCOCC2 ZINC001186403043 964474262 /nfs/dbraw/zinc/47/42/62/964474262.db2.gz ZPTAQSOEYGUMEE-BRWVUGGUSA-N 2 2 356.470 1.381 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386324 964846199 /nfs/dbraw/zinc/84/61/99/964846199.db2.gz MSKSAJQPBACDIF-BDXSIMOUSA-N 2 2 362.518 1.227 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386324 964846207 /nfs/dbraw/zinc/84/62/07/964846207.db2.gz MSKSAJQPBACDIF-BDXSIMOUSA-N 2 2 362.518 1.227 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001110386324 964846211 /nfs/dbraw/zinc/84/62/11/964846211.db2.gz MSKSAJQPBACDIF-BDXSIMOUSA-N 2 2 362.518 1.227 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001110386324 964846220 /nfs/dbraw/zinc/84/62/20/964846220.db2.gz MSKSAJQPBACDIF-BDXSIMOUSA-N 2 2 362.518 1.227 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O ZINC001193892216 969910624 /nfs/dbraw/zinc/91/06/24/969910624.db2.gz GJKMWZQMNPNSEU-VAMGGRTRSA-N 2 2 355.482 1.074 20 30 FDEDLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O ZINC001193892216 969910627 /nfs/dbraw/zinc/91/06/27/969910627.db2.gz GJKMWZQMNPNSEU-VAMGGRTRSA-N 2 2 355.482 1.074 20 30 FDEDLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193892216 969910629 /nfs/dbraw/zinc/91/06/29/969910629.db2.gz GJKMWZQMNPNSEU-VAMGGRTRSA-N 2 2 355.482 1.074 20 30 FDEDLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001193892216 969910633 /nfs/dbraw/zinc/91/06/33/969910633.db2.gz GJKMWZQMNPNSEU-VAMGGRTRSA-N 2 2 355.482 1.074 20 30 FDEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCO1 ZINC000775795205 972534152 /nfs/dbraw/zinc/53/41/52/972534152.db2.gz VCXKOOQATMYHER-VQTJNVASSA-N 2 2 355.482 1.410 20 30 FDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198777465 973511382 /nfs/dbraw/zinc/51/13/82/973511382.db2.gz ZVCNEBZGMZABGP-SZVBFZGTSA-N 2 2 361.486 1.737 20 30 FDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198777465 973511386 /nfs/dbraw/zinc/51/13/86/973511386.db2.gz ZVCNEBZGMZABGP-SZVBFZGTSA-N 2 2 361.486 1.737 20 30 FDEDLP CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000865466533 974314125 /nfs/dbraw/zinc/31/41/25/974314125.db2.gz XMNIWNVSJACSKJ-LJQANCHMSA-N 2 2 357.502 1.120 20 30 FDEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@H]3CCC[N@H+]3C)n[nH]1)C2 ZINC001110579661 975288363 /nfs/dbraw/zinc/28/83/63/975288363.db2.gz FEPXYLAILDZAFO-RGCFKVTRSA-N 2 2 373.501 1.714 20 30 FDEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@H]3CCC[N@@H+]3C)n[nH]1)C2 ZINC001110579661 975288367 /nfs/dbraw/zinc/28/83/67/975288367.db2.gz FEPXYLAILDZAFO-RGCFKVTRSA-N 2 2 373.501 1.714 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@H]3CCC[NH+]3C)n[nH]1)C2 ZINC001110579661 975288372 /nfs/dbraw/zinc/28/83/72/975288372.db2.gz FEPXYLAILDZAFO-RGCFKVTRSA-N 2 2 373.501 1.714 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc([C@H]3CCC[NH+]3C)n[nH]1)C2 ZINC001110579661 975288376 /nfs/dbraw/zinc/28/83/76/975288376.db2.gz FEPXYLAILDZAFO-RGCFKVTRSA-N 2 2 373.501 1.714 20 30 FDEDLP CC[C@H](C)[NH2+][C@@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccco1 ZINC000849051707 977293355 /nfs/dbraw/zinc/29/33/55/977293355.db2.gz UVAVSLGAHJSDJG-HOTGVXAUSA-N 2 2 351.495 1.206 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000884186418 982961967 /nfs/dbraw/zinc/96/19/67/982961967.db2.gz ZHSZTPZFHZYEIS-LPHOPBHVSA-N 2 2 373.497 1.981 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000884186418 982961972 /nfs/dbraw/zinc/96/19/72/982961972.db2.gz ZHSZTPZFHZYEIS-LPHOPBHVSA-N 2 2 373.497 1.981 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000884197607 982972899 /nfs/dbraw/zinc/97/28/99/982972899.db2.gz YRTNUXMWVRFDTM-KRWDZBQOSA-N 2 2 351.491 1.548 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000884197607 982972902 /nfs/dbraw/zinc/97/29/02/982972902.db2.gz YRTNUXMWVRFDTM-KRWDZBQOSA-N 2 2 351.491 1.548 20 30 FDEDLP COc1ccccc1C[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884210478 982987149 /nfs/dbraw/zinc/98/71/49/982987149.db2.gz AUQBCUFRRUWWLZ-WBTXTPOCSA-N 2 2 368.481 1.479 20 30 FDEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000366300040 988606026 /nfs/dbraw/zinc/60/60/26/988606026.db2.gz PZPPDZWVKAQHSM-ICSRJNTNSA-N 2 2 357.498 1.756 20 30 FDEDLP Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364751679 989763950 /nfs/dbraw/zinc/76/39/50/989763950.db2.gz APKVTOKMCNIACW-OAHLLOKOSA-N 2 2 369.469 1.090 20 30 FDEDLP Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364751679 989763956 /nfs/dbraw/zinc/76/39/56/989763956.db2.gz APKVTOKMCNIACW-OAHLLOKOSA-N 2 2 369.469 1.090 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)CC1 ZINC000371467775 990453881 /nfs/dbraw/zinc/45/38/81/990453881.db2.gz JLJDZUCPVIVJMF-UHFFFAOYSA-N 2 2 372.513 1.073 20 30 FDEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371664465 990609569 /nfs/dbraw/zinc/60/95/69/990609569.db2.gz UFWPFGONPBLCSV-HXUWFJFHSA-N 2 2 371.529 1.533 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000372339894 991024234 /nfs/dbraw/zinc/02/42/34/991024234.db2.gz XDYMMVVMBCHPOR-AYOQOUSVSA-N 2 2 356.470 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000372339894 991024254 /nfs/dbraw/zinc/02/42/54/991024254.db2.gz XDYMMVVMBCHPOR-AYOQOUSVSA-N 2 2 356.470 1.976 20 30 FDEDLP C#CC[C@@H](CCOC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875916705 992188712 /nfs/dbraw/zinc/18/87/12/992188712.db2.gz MEGVTBBRNMBGNQ-FUHWJXTLSA-N 2 2 350.507 1.225 20 30 FDEDLP C#CC[C@@H](CCOC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875916705 992188718 /nfs/dbraw/zinc/18/87/18/992188718.db2.gz MEGVTBBRNMBGNQ-FUHWJXTLSA-N 2 2 350.507 1.225 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000876722822 992836803 /nfs/dbraw/zinc/83/68/03/992836803.db2.gz GANHXRZLVKDUKF-NRFANRHFSA-N 2 2 360.461 1.920 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000876722822 992836807 /nfs/dbraw/zinc/83/68/07/992836807.db2.gz GANHXRZLVKDUKF-NRFANRHFSA-N 2 2 360.461 1.920 20 30 FDEDLP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000877726762 993482122 /nfs/dbraw/zinc/48/21/22/993482122.db2.gz MXCNLDJXDLWSCD-IEBWSBKVSA-N 2 2 357.454 1.690 20 30 FDEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000264066338 997393230 /nfs/dbraw/zinc/39/32/30/997393230.db2.gz BIJXGGBPRNTUCC-QGZVFWFLSA-N 2 2 371.464 1.355 20 30 FDEDLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1OCCCC#N ZINC000264618456 997555880 /nfs/dbraw/zinc/55/58/80/997555880.db2.gz RBWOQZDLNOFZHZ-KRWDZBQOSA-N 2 2 374.485 1.807 20 30 FDEDLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1OCCCC#N ZINC000264618456 997555884 /nfs/dbraw/zinc/55/58/84/997555884.db2.gz RBWOQZDLNOFZHZ-KRWDZBQOSA-N 2 2 374.485 1.807 20 30 FDEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000266994377 999284940 /nfs/dbraw/zinc/28/49/40/999284940.db2.gz WWFBPJHNCYJCQH-QGZVFWFLSA-N 2 2 370.453 1.899 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179732 1006659001 /nfs/dbraw/zinc/65/90/01/1006659001.db2.gz VPNFCTNOITUKNT-MLHJIOFPSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179732 1006659002 /nfs/dbraw/zinc/65/90/02/1006659002.db2.gz VPNFCTNOITUKNT-MLHJIOFPSA-N 2 2 362.518 1.131 20 30 FDEDLP CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000093047039 1007510755 /nfs/dbraw/zinc/51/07/55/1007510755.db2.gz YNBYINWFFFTXMP-UHFFFAOYSA-N 2 2 369.513 1.776 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000507759401 538922949 /nfs/dbraw/zinc/92/29/49/538922949.db2.gz PSEFUEDSHRLOFG-QGZVFWFLSA-N 2 2 350.507 1.062 20 30 FDEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516910962 539328093 /nfs/dbraw/zinc/32/80/93/539328093.db2.gz SMCJFDZEJVUESV-MRXNPFEDSA-N 2 2 352.442 1.867 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000548926491 542808602 /nfs/dbraw/zinc/80/86/02/542808602.db2.gz UXCWEWVLZJKOQW-FQEVSTJZSA-N 2 2 366.465 1.947 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000101554782 172333863 /nfs/dbraw/zinc/33/38/63/172333863.db2.gz HDTJFIKIZVAPPD-UHFFFAOYSA-N 2 2 355.486 1.281 20 30 FDEDLP N#Cc1ccc(OCCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000131184721 173193323 /nfs/dbraw/zinc/19/33/23/173193323.db2.gz KTILVHTYQYGCKL-IBGZPJMESA-N 2 2 356.470 1.741 20 30 FDEDLP N#Cc1ccc(OCCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000131184721 173193325 /nfs/dbraw/zinc/19/33/25/173193325.db2.gz KTILVHTYQYGCKL-IBGZPJMESA-N 2 2 356.470 1.741 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000555686212 544005321 /nfs/dbraw/zinc/00/53/21/544005321.db2.gz UBWVVAKQAUJRHY-HRBLRVMOSA-N 2 2 350.507 1.568 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000555686212 544005322 /nfs/dbraw/zinc/00/53/22/544005322.db2.gz UBWVVAKQAUJRHY-HRBLRVMOSA-N 2 2 350.507 1.568 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000555686212 544005324 /nfs/dbraw/zinc/00/53/24/544005324.db2.gz UBWVVAKQAUJRHY-HRBLRVMOSA-N 2 2 350.507 1.568 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000555686212 544005325 /nfs/dbraw/zinc/00/53/25/544005325.db2.gz UBWVVAKQAUJRHY-HRBLRVMOSA-N 2 2 350.507 1.568 20 30 FDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000299710411 259018420 /nfs/dbraw/zinc/01/84/20/259018420.db2.gz QGFMICMMFCKDAL-MRXNPFEDSA-N 2 2 361.515 1.294 20 30 FDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000299710411 259018421 /nfs/dbraw/zinc/01/84/21/259018421.db2.gz QGFMICMMFCKDAL-MRXNPFEDSA-N 2 2 361.515 1.294 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)Cc2cccc(C#N)c2)C1 ZINC000046518187 522318589 /nfs/dbraw/zinc/31/85/89/522318589.db2.gz UCHHDASIFOOSRG-IBGZPJMESA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)Cc2cccc(C#N)c2)C1 ZINC000046518187 522318596 /nfs/dbraw/zinc/31/85/96/522318596.db2.gz UCHHDASIFOOSRG-IBGZPJMESA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000046518187 522318601 /nfs/dbraw/zinc/31/86/01/522318601.db2.gz UCHHDASIFOOSRG-IBGZPJMESA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000046518187 522318611 /nfs/dbraw/zinc/31/86/11/522318611.db2.gz UCHHDASIFOOSRG-IBGZPJMESA-N 2 2 358.486 1.463 20 30 FDEDLP C[NH+]1CCC(C#N)(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000075939797 522996199 /nfs/dbraw/zinc/99/61/99/522996199.db2.gz WJZSPABWSJFNQC-UHFFFAOYSA-N 2 2 354.370 1.498 20 30 FDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618979 524900705 /nfs/dbraw/zinc/90/07/05/524900705.db2.gz QDCJQGAPNPEZGZ-MOPGFXCFSA-N 2 2 363.550 1.342 20 30 FDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618979 524900712 /nfs/dbraw/zinc/90/07/12/524900712.db2.gz QDCJQGAPNPEZGZ-MOPGFXCFSA-N 2 2 363.550 1.342 20 30 FDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618979 524900717 /nfs/dbraw/zinc/90/07/17/524900717.db2.gz QDCJQGAPNPEZGZ-MOPGFXCFSA-N 2 2 363.550 1.342 20 30 FDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618979 524900724 /nfs/dbraw/zinc/90/07/24/524900724.db2.gz QDCJQGAPNPEZGZ-MOPGFXCFSA-N 2 2 363.550 1.342 20 30 FDEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150752 525333925 /nfs/dbraw/zinc/33/39/25/525333925.db2.gz OUDDONAOHANVTM-UHFFFAOYSA-N 2 2 369.469 1.127 20 30 FDEDLP C=CCOc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000178908164 525502002 /nfs/dbraw/zinc/50/20/02/525502002.db2.gz SFULQQAKMAKCQP-SFHVURJKSA-N 2 2 359.470 1.274 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000171729049 526097969 /nfs/dbraw/zinc/09/79/69/526097969.db2.gz ZVGNRHDMWAHQMP-UHFFFAOYSA-N 3 2 363.550 1.495 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000250291450 537244476 /nfs/dbraw/zinc/24/44/76/537244476.db2.gz TWFHVDNQVKRCIT-MOPGFXCFSA-N 2 2 369.513 1.054 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000250291450 537244477 /nfs/dbraw/zinc/24/44/77/537244477.db2.gz TWFHVDNQVKRCIT-MOPGFXCFSA-N 2 2 369.513 1.054 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363823885 537330831 /nfs/dbraw/zinc/33/08/31/537330831.db2.gz OGOBXOHOJGXBSE-LJQANCHMSA-N 3 2 363.550 1.447 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363823885 537330839 /nfs/dbraw/zinc/33/08/39/537330839.db2.gz OGOBXOHOJGXBSE-LJQANCHMSA-N 3 2 363.550 1.447 20 30 FDEDLP N#CCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000293110748 537348827 /nfs/dbraw/zinc/34/88/27/537348827.db2.gz ONTZUGLKMVWNPN-LJQANCHMSA-N 2 2 357.502 1.846 20 30 FDEDLP N#CCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000293110748 537348835 /nfs/dbraw/zinc/34/88/35/537348835.db2.gz ONTZUGLKMVWNPN-LJQANCHMSA-N 2 2 357.502 1.846 20 30 FDEDLP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)N1CC[NH+](C)CC1 ZINC000329163583 537634879 /nfs/dbraw/zinc/63/48/79/537634879.db2.gz GJBPFUZQDCAACA-SOLBZPMBSA-N 2 2 362.522 1.395 20 30 FDEDLP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)N1CC[NH+](C)CC1 ZINC000329163583 537634884 /nfs/dbraw/zinc/63/48/84/537634884.db2.gz GJBPFUZQDCAACA-SOLBZPMBSA-N 2 2 362.522 1.395 20 30 FDEDLP C[C@@H]1C[N@@H+](C(C)(C)C[NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000329921214 537645930 /nfs/dbraw/zinc/64/59/30/537645930.db2.gz SMTNJMKFVWABMJ-XHSDSOJGSA-N 2 2 363.506 1.837 20 30 FDEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000329921214 537645932 /nfs/dbraw/zinc/64/59/32/537645932.db2.gz SMTNJMKFVWABMJ-XHSDSOJGSA-N 2 2 363.506 1.837 20 30 FDEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000329921214 537645935 /nfs/dbraw/zinc/64/59/35/537645935.db2.gz SMTNJMKFVWABMJ-XHSDSOJGSA-N 2 2 363.506 1.837 20 30 FDEDLP CC(=O)N1CCC[C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000330029713 537650702 /nfs/dbraw/zinc/65/07/02/537650702.db2.gz QNBCNOIRHPQTFX-KRWDZBQOSA-N 2 2 367.538 1.117 20 30 FDEDLP CC(=O)N1CCC[C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000330029713 537650703 /nfs/dbraw/zinc/65/07/03/537650703.db2.gz QNBCNOIRHPQTFX-KRWDZBQOSA-N 2 2 367.538 1.117 20 30 FDEDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000375799482 537772261 /nfs/dbraw/zinc/77/22/61/537772261.db2.gz VXHLWJHGVGLJFU-NRFANRHFSA-N 2 2 372.513 1.665 20 30 FDEDLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)C1 ZINC000375799482 537772273 /nfs/dbraw/zinc/77/22/73/537772273.db2.gz VXHLWJHGVGLJFU-NRFANRHFSA-N 2 2 372.513 1.665 20 30 FDEDLP C=CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410899913 538008884 /nfs/dbraw/zinc/00/88/84/538008884.db2.gz OFXSNOKDESFUTC-MSOLQXFVSA-N 2 2 364.534 1.426 20 30 FDEDLP C=CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410899913 538008890 /nfs/dbraw/zinc/00/88/90/538008890.db2.gz OFXSNOKDESFUTC-MSOLQXFVSA-N 2 2 364.534 1.426 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424152101 538247114 /nfs/dbraw/zinc/24/71/14/538247114.db2.gz IGMUJTYPQHMHOA-IEBWSBKVSA-N 2 2 358.486 1.757 20 30 FDEDLP C[NH+](C)CC1(C(=O)N(CCC#N)CC[NH+]2CCOCC2)CCCCC1 ZINC000460198562 538474474 /nfs/dbraw/zinc/47/44/74/538474474.db2.gz XBPYKALNNPQSGO-UHFFFAOYSA-N 2 2 350.507 1.573 20 30 FDEDLP C[N@H+](CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1 ZINC000564202771 546843144 /nfs/dbraw/zinc/84/31/44/546843144.db2.gz ATZWZLLDTHLWSY-UHFFFAOYSA-N 2 2 364.515 1.971 20 30 FDEDLP C[N@@H+](CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1 ZINC000564202771 546843146 /nfs/dbraw/zinc/84/31/46/546843146.db2.gz ATZWZLLDTHLWSY-UHFFFAOYSA-N 2 2 364.515 1.971 20 30 FDEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000565838182 547502289 /nfs/dbraw/zinc/50/22/89/547502289.db2.gz WQZRFWPDMUJWPA-LJQANCHMSA-N 2 2 368.441 1.486 20 30 FDEDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567896537 548315094 /nfs/dbraw/zinc/31/50/94/548315094.db2.gz ZUROVLLOYRWRRF-GOSISDBHSA-N 2 2 353.474 1.203 20 30 FDEDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567896537 548315096 /nfs/dbraw/zinc/31/50/96/548315096.db2.gz ZUROVLLOYRWRRF-GOSISDBHSA-N 2 2 353.474 1.203 20 30 FDEDLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000572804351 549997785 /nfs/dbraw/zinc/99/77/85/549997785.db2.gz UJZSTYCOMXYFAY-NVXWUHKLSA-N 2 2 362.499 1.405 20 30 FDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000578335976 550753540 /nfs/dbraw/zinc/75/35/40/550753540.db2.gz XGTSSWDQWLKHNA-INIZCTEOSA-N 2 2 358.490 1.839 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000590242027 551766825 /nfs/dbraw/zinc/76/68/25/551766825.db2.gz KKRHEIXOAPYDGP-LJQANCHMSA-N 2 2 369.513 1.865 20 30 FDEDLP CN(C)c1cc(C#N)cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000590242027 551766826 /nfs/dbraw/zinc/76/68/26/551766826.db2.gz KKRHEIXOAPYDGP-LJQANCHMSA-N 2 2 369.513 1.865 20 30 FDEDLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)c1 ZINC000594445568 552312320 /nfs/dbraw/zinc/31/23/20/552312320.db2.gz HXSAGCHVXJMZSW-GOSISDBHSA-N 2 2 374.485 1.759 20 30 FDEDLP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)nc1 ZINC000594493967 552326045 /nfs/dbraw/zinc/32/60/45/552326045.db2.gz CNSNZMIZFZWOJT-IBGZPJMESA-N 2 2 355.486 1.765 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000597437941 552789228 /nfs/dbraw/zinc/78/92/28/552789228.db2.gz AXCOUXPWMHWQBY-GOSISDBHSA-N 2 2 353.470 1.528 20 30 FDEDLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599663574 553116645 /nfs/dbraw/zinc/11/66/45/553116645.db2.gz IPODYAHQVIRPSV-SFHVURJKSA-N 2 2 365.518 1.635 20 30 FDEDLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)N1CC#N ZINC000602854172 553651493 /nfs/dbraw/zinc/65/14/93/553651493.db2.gz AGNRPNIFRSUMDO-HDICACEKSA-N 2 2 370.501 1.038 20 30 FDEDLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)N1CC#N ZINC000602854172 553651496 /nfs/dbraw/zinc/65/14/96/553651496.db2.gz AGNRPNIFRSUMDO-HDICACEKSA-N 2 2 370.501 1.038 20 30 FDEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000602989194 553687607 /nfs/dbraw/zinc/68/76/07/553687607.db2.gz GXHKGWCJWYTQFR-UHFFFAOYSA-N 2 2 354.376 1.783 20 30 FDEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000602989194 553687608 /nfs/dbraw/zinc/68/76/08/553687608.db2.gz GXHKGWCJWYTQFR-UHFFFAOYSA-N 2 2 354.376 1.783 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603275435 553750576 /nfs/dbraw/zinc/75/05/76/553750576.db2.gz GFBUSYZOIJBWKW-UHFFFAOYSA-N 2 2 361.471 1.148 20 30 FDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000619719773 555825774 /nfs/dbraw/zinc/82/57/74/555825774.db2.gz BSFCQVWIYHRJGC-QGZVFWFLSA-N 2 2 351.491 1.418 20 30 FDEDLP CC[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158571309 671981143 /nfs/dbraw/zinc/98/11/43/671981143.db2.gz PRGWRVUQBZKHNA-UHFFFAOYSA-N 2 2 372.579 1.725 20 30 FDEDLP CC[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262019952 672713237 /nfs/dbraw/zinc/71/32/37/672713237.db2.gz YNYKDGXLIQZQFO-HNNXBMFYSA-N 2 2 358.552 1.335 20 30 FDEDLP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262019952 672713240 /nfs/dbraw/zinc/71/32/40/672713240.db2.gz YNYKDGXLIQZQFO-HNNXBMFYSA-N 2 2 358.552 1.335 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[C@H](COC)C1 ZINC000262431443 672788611 /nfs/dbraw/zinc/78/86/11/672788611.db2.gz FEYXUXAHQVUMEC-KRWDZBQOSA-N 2 2 352.523 1.565 20 30 FDEDLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC000329895356 676662700 /nfs/dbraw/zinc/66/27/00/676662700.db2.gz BTYXCBAVLKCVOK-MELADBBJSA-N 2 2 350.442 1.510 20 30 FDEDLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC000329895356 676662701 /nfs/dbraw/zinc/66/27/01/676662701.db2.gz BTYXCBAVLKCVOK-MELADBBJSA-N 2 2 350.442 1.510 20 30 FDEDLP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCOC2)O1 ZINC000330085685 676671823 /nfs/dbraw/zinc/67/18/23/676671823.db2.gz CZUHVENYMYFZMG-IEBWSBKVSA-N 2 2 351.491 1.840 20 30 FDEDLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCOC2)O1 ZINC000330085685 676671824 /nfs/dbraw/zinc/67/18/24/676671824.db2.gz CZUHVENYMYFZMG-IEBWSBKVSA-N 2 2 351.491 1.840 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000333892981 676771845 /nfs/dbraw/zinc/77/18/45/676771845.db2.gz ZFJYJHUMFLFJKZ-MSOLQXFVSA-N 2 2 350.507 1.578 20 30 FDEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489909133 687121471 /nfs/dbraw/zinc/12/14/71/687121471.db2.gz STDNMRHAYOXHSB-DLBZAZTESA-N 2 2 362.543 1.631 20 30 FDEDLP C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376705364 790341556 /nfs/dbraw/zinc/34/15/56/790341556.db2.gz FEDCSICFAWVJAL-LJQANCHMSA-N 2 2 354.498 2.000 20 30 FDEDLP C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376705364 790341572 /nfs/dbraw/zinc/34/15/72/790341572.db2.gz FEDCSICFAWVJAL-LJQANCHMSA-N 2 2 354.498 2.000 20 30 FDEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738264 790511633 /nfs/dbraw/zinc/51/16/33/790511633.db2.gz NXEMDPZDFZUFAZ-IXDOHACOSA-N 2 2 361.490 1.211 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001087465601 811516055 /nfs/dbraw/zinc/51/60/55/811516055.db2.gz YPZUVFXIAZLGFJ-HUYLIWGRSA-N 2 2 373.472 1.452 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001087465601 811516063 /nfs/dbraw/zinc/51/60/63/811516063.db2.gz YPZUVFXIAZLGFJ-HUYLIWGRSA-N 2 2 373.472 1.452 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001087465601 811516071 /nfs/dbraw/zinc/51/60/71/811516071.db2.gz YPZUVFXIAZLGFJ-HUYLIWGRSA-N 2 2 373.472 1.452 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001087465601 811516079 /nfs/dbraw/zinc/51/60/79/811516079.db2.gz YPZUVFXIAZLGFJ-HUYLIWGRSA-N 2 2 373.472 1.452 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420983632 813893843 /nfs/dbraw/zinc/89/38/43/813893843.db2.gz QXTYUZPATOCGCP-SFHVURJKSA-N 2 2 363.550 1.487 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420983632 813893852 /nfs/dbraw/zinc/89/38/52/813893852.db2.gz QXTYUZPATOCGCP-SFHVURJKSA-N 2 2 363.550 1.487 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420983632 813893863 /nfs/dbraw/zinc/89/38/63/813893863.db2.gz QXTYUZPATOCGCP-SFHVURJKSA-N 2 2 363.550 1.487 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420983632 813893874 /nfs/dbraw/zinc/89/38/74/813893874.db2.gz QXTYUZPATOCGCP-SFHVURJKSA-N 2 2 363.550 1.487 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420983631 813894045 /nfs/dbraw/zinc/89/40/45/813894045.db2.gz QXTYUZPATOCGCP-GOSISDBHSA-N 2 2 363.550 1.487 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420983631 813894055 /nfs/dbraw/zinc/89/40/55/813894055.db2.gz QXTYUZPATOCGCP-GOSISDBHSA-N 2 2 363.550 1.487 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420983631 813894062 /nfs/dbraw/zinc/89/40/62/813894062.db2.gz QXTYUZPATOCGCP-GOSISDBHSA-N 2 2 363.550 1.487 20 30 FDEDLP CCN(C[C@H](C)C#N)C(=O)CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420983631 813894071 /nfs/dbraw/zinc/89/40/71/813894071.db2.gz QXTYUZPATOCGCP-GOSISDBHSA-N 2 2 363.550 1.487 20 30 FDEDLP Cn1ccnc1[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000328871270 819573577 /nfs/dbraw/zinc/57/35/77/819573577.db2.gz PYKPQESKYBFZJX-INIZCTEOSA-N 2 2 374.533 1.682 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001112167783 822442598 /nfs/dbraw/zinc/44/25/98/822442598.db2.gz FHYHJEJCVCKMNP-AAVRWANBSA-N 2 2 354.376 1.526 20 30 FDEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329696485 825323281 /nfs/dbraw/zinc/32/32/81/825323281.db2.gz BVRDJHIFSIQVFP-IXDOHACOSA-N 2 2 374.533 1.671 20 30 FDEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329696485 825323287 /nfs/dbraw/zinc/32/32/87/825323287.db2.gz BVRDJHIFSIQVFP-IXDOHACOSA-N 2 2 374.533 1.671 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042542 825538513 /nfs/dbraw/zinc/53/85/13/825538513.db2.gz UZKQFQWHUFXNDW-CABCVRRESA-N 2 2 367.291 1.880 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042542 825538519 /nfs/dbraw/zinc/53/85/19/825538519.db2.gz UZKQFQWHUFXNDW-CABCVRRESA-N 2 2 367.291 1.880 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001088170892 827234101 /nfs/dbraw/zinc/23/41/01/827234101.db2.gz MRCNBOAZIYTEBW-UXHICEINSA-N 2 2 362.477 1.795 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001088170892 827234109 /nfs/dbraw/zinc/23/41/09/827234109.db2.gz MRCNBOAZIYTEBW-UXHICEINSA-N 2 2 362.477 1.795 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000532986683 835605845 /nfs/dbraw/zinc/60/58/45/835605845.db2.gz UDYQOAYIBAENLL-RTBURBONSA-N 2 2 355.486 1.185 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000532986683 835605853 /nfs/dbraw/zinc/60/58/53/835605853.db2.gz UDYQOAYIBAENLL-RTBURBONSA-N 2 2 355.486 1.185 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2cc(Cl)cn2)[C@@H]1C ZINC001088631333 838604249 /nfs/dbraw/zinc/60/42/49/838604249.db2.gz GBYDXWFOOSPSPZ-PVAVHDDUSA-N 2 2 363.893 1.213 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)[C@@H]1C ZINC001088631333 838604261 /nfs/dbraw/zinc/60/42/61/838604261.db2.gz GBYDXWFOOSPSPZ-PVAVHDDUSA-N 2 2 363.893 1.213 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cc(Cl)cn2)[C@@H]1C ZINC001088631333 838604268 /nfs/dbraw/zinc/60/42/68/838604268.db2.gz GBYDXWFOOSPSPZ-PVAVHDDUSA-N 2 2 363.893 1.213 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cc(Cl)cn2)[C@@H]1C ZINC001088631333 838604279 /nfs/dbraw/zinc/60/42/79/838604279.db2.gz GBYDXWFOOSPSPZ-PVAVHDDUSA-N 2 2 363.893 1.213 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000245563145 844375542 /nfs/dbraw/zinc/37/55/42/844375542.db2.gz PJORYMRADTVABO-RBUKOAKNSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000245563145 844375556 /nfs/dbraw/zinc/37/55/56/844375556.db2.gz PJORYMRADTVABO-RBUKOAKNSA-N 2 2 361.534 1.096 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000760555760 842278814 /nfs/dbraw/zinc/27/88/14/842278814.db2.gz LKBXULZXACKCMI-MOPGFXCFSA-N 2 2 357.523 1.818 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000760555760 842278828 /nfs/dbraw/zinc/27/88/28/842278828.db2.gz LKBXULZXACKCMI-MOPGFXCFSA-N 2 2 357.523 1.818 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000760555760 842278839 /nfs/dbraw/zinc/27/88/39/842278839.db2.gz LKBXULZXACKCMI-MOPGFXCFSA-N 2 2 357.523 1.818 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000760555760 842278846 /nfs/dbraw/zinc/27/88/46/842278846.db2.gz LKBXULZXACKCMI-MOPGFXCFSA-N 2 2 357.523 1.818 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088762917 843462307 /nfs/dbraw/zinc/46/23/07/843462307.db2.gz CGQJAAIKZPINDY-YRXWBPOGSA-N 2 2 365.518 1.411 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088762917 843462313 /nfs/dbraw/zinc/46/23/13/843462313.db2.gz CGQJAAIKZPINDY-YRXWBPOGSA-N 2 2 365.518 1.411 20 30 FDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990743455 845493659 /nfs/dbraw/zinc/49/36/59/845493659.db2.gz RTRAGLUWFDQGNE-NEYJZJCJSA-N 2 2 352.482 1.900 20 30 FDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990743455 845493663 /nfs/dbraw/zinc/49/36/63/845493663.db2.gz RTRAGLUWFDQGNE-NEYJZJCJSA-N 2 2 352.482 1.900 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@@H]1O ZINC001083535826 846922968 /nfs/dbraw/zinc/92/29/68/846922968.db2.gz OMXAOCXTWJIYCS-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@@H]1O ZINC001083535826 846922978 /nfs/dbraw/zinc/92/29/78/846922978.db2.gz OMXAOCXTWJIYCS-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccccc2C)C[C@@H]1O ZINC001083535826 846922981 /nfs/dbraw/zinc/92/29/81/846922981.db2.gz OMXAOCXTWJIYCS-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2ccccc2C)C[C@@H]1O ZINC001083535826 846922982 /nfs/dbraw/zinc/92/29/82/846922982.db2.gz OMXAOCXTWJIYCS-HKBOAZHASA-N 2 2 369.509 1.187 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076517061 848313889 /nfs/dbraw/zinc/31/38/89/848313889.db2.gz HEDHUVXMJRDJNY-PZJWPPBQSA-N 2 2 362.477 1.937 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076517061 848313893 /nfs/dbraw/zinc/31/38/93/848313893.db2.gz HEDHUVXMJRDJNY-PZJWPPBQSA-N 2 2 362.477 1.937 20 30 FDEDLP Cn1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491090536 862296959 /nfs/dbraw/zinc/29/69/59/862296959.db2.gz MHYGDHNUADTCHH-UHFFFAOYSA-N 2 2 353.470 1.847 20 30 FDEDLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491090536 862296978 /nfs/dbraw/zinc/29/69/78/862296978.db2.gz MHYGDHNUADTCHH-UHFFFAOYSA-N 2 2 353.470 1.847 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106869924 881515015 /nfs/dbraw/zinc/51/50/15/881515015.db2.gz RYQXVGGHQQLXEC-IAGOWNOFSA-N 2 2 367.453 1.215 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001106874815 881861573 /nfs/dbraw/zinc/86/15/73/881861573.db2.gz UMXVMXVLIJTNCK-SJLPKXTDSA-N 2 2 368.456 1.838 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(CC)n3)[C@@H]2C)CC1 ZINC001089059672 866386253 /nfs/dbraw/zinc/38/62/53/866386253.db2.gz VSZSDCQJERTUER-APWZRJJASA-N 2 2 357.502 1.327 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccn(CC)n3)[C@@H]2C)CC1 ZINC001089059672 866386258 /nfs/dbraw/zinc/38/62/58/866386258.db2.gz VSZSDCQJERTUER-APWZRJJASA-N 2 2 357.502 1.327 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3csc(C)n3)[C@@H]2C)CC1 ZINC001089059827 866388569 /nfs/dbraw/zinc/38/85/69/866388569.db2.gz DGNXOASIKWXADC-KDOFPFPSSA-N 2 2 360.527 1.876 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414584 912216827 /nfs/dbraw/zinc/21/68/27/912216827.db2.gz OXVKWCSQLMHUFL-IAGOWNOFSA-N 2 2 362.499 1.419 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414584 912216847 /nfs/dbraw/zinc/21/68/47/912216847.db2.gz OXVKWCSQLMHUFL-IAGOWNOFSA-N 2 2 362.499 1.419 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212414584 912216864 /nfs/dbraw/zinc/21/68/64/912216864.db2.gz OXVKWCSQLMHUFL-IAGOWNOFSA-N 2 2 362.499 1.419 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212414584 912216881 /nfs/dbraw/zinc/21/68/81/912216881.db2.gz OXVKWCSQLMHUFL-IAGOWNOFSA-N 2 2 362.499 1.419 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000763452056 888062736 /nfs/dbraw/zinc/06/27/36/888062736.db2.gz GBYDUFSQVQDLAM-FQEVSTJZSA-N 2 2 355.482 1.927 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000763452056 888062749 /nfs/dbraw/zinc/06/27/49/888062749.db2.gz GBYDUFSQVQDLAM-FQEVSTJZSA-N 2 2 355.482 1.927 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC)[NH+](C)C ZINC001212461042 893834654 /nfs/dbraw/zinc/83/46/54/893834654.db2.gz PFQSIPDZQQPXNF-BZUAXINKSA-N 2 2 350.488 1.275 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC)[NH+](C)C ZINC001212461042 893834672 /nfs/dbraw/zinc/83/46/72/893834672.db2.gz PFQSIPDZQQPXNF-BZUAXINKSA-N 2 2 350.488 1.275 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212441984 899034129 /nfs/dbraw/zinc/03/41/29/899034129.db2.gz BLEHBFRKYRXHGM-FGTMMUONSA-N 2 2 364.490 1.488 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212441984 899034141 /nfs/dbraw/zinc/03/41/41/899034141.db2.gz BLEHBFRKYRXHGM-FGTMMUONSA-N 2 2 364.490 1.488 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cccc(F)c1 ZINC001079199589 902099570 /nfs/dbraw/zinc/09/95/70/902099570.db2.gz BYZCIVTWIVLFAV-AKHDSKFASA-N 2 2 366.440 1.880 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244801 902249444 /nfs/dbraw/zinc/24/94/44/902249444.db2.gz GNNPIBARTCEUIQ-ZWKOTPCHSA-N 2 2 356.470 1.305 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244801 902249451 /nfs/dbraw/zinc/24/94/51/902249451.db2.gz GNNPIBARTCEUIQ-ZWKOTPCHSA-N 2 2 356.470 1.305 20 30 FDEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274311 902354843 /nfs/dbraw/zinc/35/48/43/902354843.db2.gz MMFDWLUUKYVVFP-JKSUJKDBSA-N 2 2 364.877 1.575 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081856736 905247634 /nfs/dbraw/zinc/24/76/34/905247634.db2.gz IZGGFUHOJFHURJ-GUDVDZBRSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081856736 905247655 /nfs/dbraw/zinc/24/76/55/905247655.db2.gz IZGGFUHOJFHURJ-GUDVDZBRSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001081856736 905247673 /nfs/dbraw/zinc/24/76/73/905247673.db2.gz IZGGFUHOJFHURJ-GUDVDZBRSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001081856736 905247689 /nfs/dbraw/zinc/24/76/89/905247689.db2.gz IZGGFUHOJFHURJ-GUDVDZBRSA-N 2 2 356.470 1.358 20 30 FDEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077776175 907838481 /nfs/dbraw/zinc/83/84/81/907838481.db2.gz GKGPDPCZHJGIPL-HSALFYBXSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077776175 907838500 /nfs/dbraw/zinc/83/85/00/907838500.db2.gz GKGPDPCZHJGIPL-HSALFYBXSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077776175 907838516 /nfs/dbraw/zinc/83/85/16/907838516.db2.gz GKGPDPCZHJGIPL-HSALFYBXSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077776175 907838535 /nfs/dbraw/zinc/83/85/35/907838535.db2.gz GKGPDPCZHJGIPL-HSALFYBXSA-N 2 2 370.497 1.482 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001082568878 908714494 /nfs/dbraw/zinc/71/44/94/908714494.db2.gz WRGXJJVOIZOKCD-QRQLOZEOSA-N 2 2 357.502 1.498 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001082568878 908714500 /nfs/dbraw/zinc/71/45/00/908714500.db2.gz WRGXJJVOIZOKCD-QRQLOZEOSA-N 2 2 357.502 1.498 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC001084446893 914904286 /nfs/dbraw/zinc/90/42/86/914904286.db2.gz VWVNWXYBWJLRBF-CWJKEVGVSA-N 2 2 367.493 1.290 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC001084446893 914904289 /nfs/dbraw/zinc/90/42/89/914904289.db2.gz VWVNWXYBWJLRBF-CWJKEVGVSA-N 2 2 367.493 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC001084446893 914904295 /nfs/dbraw/zinc/90/42/95/914904295.db2.gz VWVNWXYBWJLRBF-CWJKEVGVSA-N 2 2 367.493 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC001084446893 914904300 /nfs/dbraw/zinc/90/43/00/914904300.db2.gz VWVNWXYBWJLRBF-CWJKEVGVSA-N 2 2 367.493 1.290 20 30 FDEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001084777854 917052460 /nfs/dbraw/zinc/05/24/60/917052460.db2.gz SVAXBSHSGHTATH-VQIMIIECSA-N 2 2 368.456 1.826 20 30 FDEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001084777854 917052470 /nfs/dbraw/zinc/05/24/70/917052470.db2.gz SVAXBSHSGHTATH-VQIMIIECSA-N 2 2 368.456 1.826 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ccccn3)[C@H]2C1 ZINC001084961126 918906703 /nfs/dbraw/zinc/90/67/03/918906703.db2.gz MOBHGFOFNNRNDF-HOJAQTOUSA-N 2 2 352.482 1.602 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ccccn3)[C@H]2C1 ZINC001084961126 918906705 /nfs/dbraw/zinc/90/67/05/918906705.db2.gz MOBHGFOFNNRNDF-HOJAQTOUSA-N 2 2 352.482 1.602 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccn3)[C@H]2C1 ZINC001084961126 918906707 /nfs/dbraw/zinc/90/67/07/918906707.db2.gz MOBHGFOFNNRNDF-HOJAQTOUSA-N 2 2 352.482 1.602 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccn3)[C@H]2C1 ZINC001084961126 918906715 /nfs/dbraw/zinc/90/67/15/918906715.db2.gz MOBHGFOFNNRNDF-HOJAQTOUSA-N 2 2 352.482 1.602 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]21 ZINC001084998387 919387130 /nfs/dbraw/zinc/38/71/30/919387130.db2.gz JMNZPVHHKQBSJX-HSALFYBXSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]21 ZINC001084998387 919387145 /nfs/dbraw/zinc/38/71/45/919387145.db2.gz JMNZPVHHKQBSJX-HSALFYBXSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998387 919387163 /nfs/dbraw/zinc/38/71/63/919387163.db2.gz JMNZPVHHKQBSJX-HSALFYBXSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998387 919387181 /nfs/dbraw/zinc/38/71/81/919387181.db2.gz JMNZPVHHKQBSJX-HSALFYBXSA-N 2 2 359.514 1.433 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109977408 930936195 /nfs/dbraw/zinc/93/61/95/930936195.db2.gz IEUWGBFLUOJSSC-NEWSRXKRSA-N 2 2 374.460 1.497 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109977408 930936198 /nfs/dbraw/zinc/93/61/98/930936198.db2.gz IEUWGBFLUOJSSC-NEWSRXKRSA-N 2 2 374.460 1.497 20 30 FDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461272 938436157 /nfs/dbraw/zinc/43/61/57/938436157.db2.gz TXUNFGCWCPBCNU-QYZOEREBSA-N 2 2 368.485 1.499 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461272 938436159 /nfs/dbraw/zinc/43/61/59/938436159.db2.gz TXUNFGCWCPBCNU-QYZOEREBSA-N 2 2 368.485 1.499 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130023897 938618636 /nfs/dbraw/zinc/61/86/36/938618636.db2.gz CXKWDHFGNMTFRP-SJORKVTESA-N 2 2 357.462 1.332 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131013212 940444786 /nfs/dbraw/zinc/44/47/86/940444786.db2.gz XXFYKLJAPMCUKC-KZNAEPCWSA-N 2 2 368.485 1.421 20 30 FDEDLP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001131600130 940784049 /nfs/dbraw/zinc/78/40/49/940784049.db2.gz YHLMBZWSIVARLC-QUCCMNQESA-N 2 2 360.502 1.915 20 30 FDEDLP C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482426 941176986 /nfs/dbraw/zinc/17/69/86/941176986.db2.gz FYBLITYPSCCJRV-HZPDHXFCSA-N 2 2 366.893 1.561 20 30 FDEDLP C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482426 941176987 /nfs/dbraw/zinc/17/69/87/941176987.db2.gz FYBLITYPSCCJRV-HZPDHXFCSA-N 2 2 366.893 1.561 20 30 FDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000819108769 943431255 /nfs/dbraw/zinc/43/12/55/943431255.db2.gz NHEVNTNQBPPVMO-HXUWFJFHSA-N 2 2 359.518 1.517 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883831 953520661 /nfs/dbraw/zinc/52/06/61/953520661.db2.gz YOWVIOFREPQURC-SBHAEUEKSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883831 953520666 /nfs/dbraw/zinc/52/06/66/953520666.db2.gz YOWVIOFREPQURC-SBHAEUEKSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883831 953520671 /nfs/dbraw/zinc/52/06/71/953520671.db2.gz YOWVIOFREPQURC-SBHAEUEKSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883831 953520679 /nfs/dbraw/zinc/52/06/79/953520679.db2.gz YOWVIOFREPQURC-SBHAEUEKSA-N 2 2 359.514 1.291 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001093449437 958116364 /nfs/dbraw/zinc/11/63/64/958116364.db2.gz GWYKGFJJSWTTIG-WERVVEIQSA-N 2 2 366.465 1.776 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nocc1C)CC2 ZINC001094436440 960479495 /nfs/dbraw/zinc/47/94/95/960479495.db2.gz SPUQMQLGZGEODI-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nocc1C)CC2 ZINC001094436440 960479501 /nfs/dbraw/zinc/47/95/01/960479501.db2.gz SPUQMQLGZGEODI-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nocc1C)CC2 ZINC001094436440 960479512 /nfs/dbraw/zinc/47/95/12/960479512.db2.gz SPUQMQLGZGEODI-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nocc1C)CC2 ZINC001094436440 960479524 /nfs/dbraw/zinc/47/95/24/960479524.db2.gz SPUQMQLGZGEODI-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C[C@H](CCCC#N)[N@H+]1CCc2[nH+]cc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001172498493 961688551 /nfs/dbraw/zinc/68/85/51/961688551.db2.gz LTYFIQBWQVZRIV-OAHLLOKOSA-N 2 2 369.473 1.487 20 30 FDEDLP C[C@H](CCCC#N)[N@@H+]1CCc2[nH+]cc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001172498493 961688560 /nfs/dbraw/zinc/68/85/60/961688560.db2.gz LTYFIQBWQVZRIV-OAHLLOKOSA-N 2 2 369.473 1.487 20 30 FDEDLP C[NH+]1CCC(CO)([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172977878 961859694 /nfs/dbraw/zinc/85/96/94/961859694.db2.gz GQHQCSDOTKZEDW-GJZGRUSLSA-N 2 2 352.479 1.324 20 30 FDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194243750 970069038 /nfs/dbraw/zinc/06/90/38/970069038.db2.gz CLMNBSWMXHFFGF-KFKAGJAMSA-N 2 2 362.518 1.955 20 30 FDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194243750 970069042 /nfs/dbraw/zinc/06/90/42/970069042.db2.gz CLMNBSWMXHFFGF-KFKAGJAMSA-N 2 2 362.518 1.955 20 30 FDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194243750 970069046 /nfs/dbraw/zinc/06/90/46/970069046.db2.gz CLMNBSWMXHFFGF-KFKAGJAMSA-N 2 2 362.518 1.955 20 30 FDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194243750 970069054 /nfs/dbraw/zinc/06/90/54/970069054.db2.gz CLMNBSWMXHFFGF-KFKAGJAMSA-N 2 2 362.518 1.955 20 30 FDEDLP CC#CC[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000645327818 1014242837 /nfs/dbraw/zinc/24/28/37/1014242837.db2.gz BQWSAYUKCROCBN-QGZVFWFLSA-N 2 2 350.507 1.010 20 30 FDEDLP CC(C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000867963554 977147681 /nfs/dbraw/zinc/14/76/81/977147681.db2.gz XEZWZFSPICMMPX-RTBURBONSA-N 2 2 356.470 1.218 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000884073738 982823559 /nfs/dbraw/zinc/82/35/59/982823559.db2.gz TUIOOXZWDYHIEM-HXUWFJFHSA-N 2 2 370.497 1.416 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000884073738 982823580 /nfs/dbraw/zinc/82/35/80/982823580.db2.gz TUIOOXZWDYHIEM-HXUWFJFHSA-N 2 2 370.497 1.416 20 30 FDEDLP CC(C)(C)OC(=O)N1CCN2C(NCCCNc3cccc[nH+]3)=[NH+]C[C@@H]2C1 ZINC000133886452 982948728 /nfs/dbraw/zinc/94/87/28/982948728.db2.gz CIWVVWVWYZKWNA-OAHLLOKOSA-N 2 2 374.489 1.764 20 30 FDEDLP C[NH+]1CCC[C@@H]2C[NH+](CC#CCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000367461897 988951876 /nfs/dbraw/zinc/95/18/76/988951876.db2.gz BZTQTTLLQQQMNP-GXRSIYKFSA-N 3 2 358.574 1.822 20 30 FDEDLP C[NH+]1CCC[C@@H]2C[NH+](CC#CCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000367461897 988951881 /nfs/dbraw/zinc/95/18/81/988951881.db2.gz BZTQTTLLQQQMNP-GXRSIYKFSA-N 3 2 358.574 1.822 20 30 FDEDLP C[NH+]1CCC[C@@H]2CN(CC#CC[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000367461897 988951885 /nfs/dbraw/zinc/95/18/85/988951885.db2.gz BZTQTTLLQQQMNP-GXRSIYKFSA-N 3 2 358.574 1.822 20 30 FDEDLP C[NH+]1CCC[C@@H]2CN(CC#CC[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000367461897 988951889 /nfs/dbraw/zinc/95/18/89/988951889.db2.gz BZTQTTLLQQQMNP-GXRSIYKFSA-N 3 2 358.574 1.822 20 30 FDEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000968962657 1015954741 /nfs/dbraw/zinc/95/47/41/1015954741.db2.gz KYKYOHGRPCQORJ-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000968962657 1015954750 /nfs/dbraw/zinc/95/47/50/1015954750.db2.gz KYKYOHGRPCQORJ-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP [NH2+]=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCCCC1 ZINC000104183359 998315522 /nfs/dbraw/zinc/31/55/22/998315522.db2.gz YTSANTUUKIXUJT-UHFFFAOYSA-N 2 2 358.490 1.357 20 30 FDEDLP Cc1cnc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000266244941 999135504 /nfs/dbraw/zinc/13/55/04/999135504.db2.gz ALNXGOIOCSIYML-UHFFFAOYSA-N 2 2 357.458 1.980 20 30 FDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001095800957 1007460790 /nfs/dbraw/zinc/46/07/90/1007460790.db2.gz FWJKHJRCLSFXQV-GFEQUFNTSA-N 2 2 363.502 1.164 20 30 FDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001095800957 1007460794 /nfs/dbraw/zinc/46/07/94/1007460794.db2.gz FWJKHJRCLSFXQV-GFEQUFNTSA-N 2 2 363.502 1.164 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000530232338 539915580 /nfs/dbraw/zinc/91/55/80/539915580.db2.gz YHSTWLUWBCYAPE-HXUWFJFHSA-N 2 2 366.465 1.947 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(OCCO)CCOCC3)CC2)cc1 ZINC000282486635 182019307 /nfs/dbraw/zinc/01/93/07/182019307.db2.gz HJYLWCQARSUUHZ-UHFFFAOYSA-N 2 2 373.497 1.670 20 30 FDEDLP N#Cc1ccc(N2CCC([NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000286246153 183023944 /nfs/dbraw/zinc/02/39/44/183023944.db2.gz UEJUHQQQHLBKHC-IBGZPJMESA-N 2 2 355.486 1.456 20 30 FDEDLP N#Cc1ccc(N2CCC([NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000286246153 183023945 /nfs/dbraw/zinc/02/39/45/183023945.db2.gz UEJUHQQQHLBKHC-IBGZPJMESA-N 2 2 355.486 1.456 20 30 FDEDLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC3)CC1 ZINC000549549208 542897942 /nfs/dbraw/zinc/89/79/42/542897942.db2.gz NBFJTHTZKWDZRJ-BRWVUGGUSA-N 2 2 370.501 1.115 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000131205299 173193261 /nfs/dbraw/zinc/19/32/61/173193261.db2.gz LZCNGURIEDUHTM-GOSISDBHSA-N 2 2 351.454 1.908 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000181065827 174204857 /nfs/dbraw/zinc/20/48/57/174204857.db2.gz FNLULGDFMMSRRV-UHFFFAOYSA-N 2 2 364.515 1.346 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000181065827 174204859 /nfs/dbraw/zinc/20/48/59/174204859.db2.gz FNLULGDFMMSRRV-UHFFFAOYSA-N 2 2 364.515 1.346 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[NH+]3CCC(O)CC3)CC2)cc1 ZINC000181560886 174232418 /nfs/dbraw/zinc/23/24/18/174232418.db2.gz QTUHHRORWDJJEU-UHFFFAOYSA-N 3 2 356.514 1.959 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000557730479 544337582 /nfs/dbraw/zinc/33/75/82/544337582.db2.gz FXIHZXMCEVBXDZ-INIZCTEOSA-N 2 2 373.501 1.342 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)cnc12 ZINC000559273516 544622293 /nfs/dbraw/zinc/62/22/93/544622293.db2.gz RDTZQTQTGQVYJT-UHFFFAOYSA-N 2 2 362.437 1.723 20 30 FDEDLP CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372595 260351683 /nfs/dbraw/zinc/35/16/83/260351683.db2.gz KEUWRISUPKVWFV-GOSISDBHSA-N 2 2 355.486 1.868 20 30 FDEDLP CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372595 260351685 /nfs/dbraw/zinc/35/16/85/260351685.db2.gz KEUWRISUPKVWFV-GOSISDBHSA-N 2 2 355.486 1.868 20 30 FDEDLP C[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374250046 261099571 /nfs/dbraw/zinc/09/95/71/261099571.db2.gz QZHSPJUBVSGDEK-QGZVFWFLSA-N 2 2 369.513 1.911 20 30 FDEDLP C[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374250046 261099572 /nfs/dbraw/zinc/09/95/72/261099572.db2.gz QZHSPJUBVSGDEK-QGZVFWFLSA-N 2 2 369.513 1.911 20 30 FDEDLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1C#N ZINC000135094352 524114348 /nfs/dbraw/zinc/11/43/48/524114348.db2.gz DUVBOMXZKOUEPL-UHFFFAOYSA-N 2 2 352.442 1.745 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCCN(c2ccccc2)C1 ZINC000088240043 524440392 /nfs/dbraw/zinc/44/03/92/524440392.db2.gz GOEPHFKZELSYRM-INIZCTEOSA-N 2 2 369.517 1.820 20 30 FDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000091589225 524732671 /nfs/dbraw/zinc/73/26/71/524732671.db2.gz JPLYLVQBPWNPSD-LJQANCHMSA-N 2 2 363.550 1.485 20 30 FDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000091589225 524732680 /nfs/dbraw/zinc/73/26/80/524732680.db2.gz JPLYLVQBPWNPSD-LJQANCHMSA-N 2 2 363.550 1.485 20 30 FDEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000104154310 525397571 /nfs/dbraw/zinc/39/75/71/525397571.db2.gz LIEXVOBHZARONA-KRWDZBQOSA-N 2 2 363.506 1.304 20 30 FDEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)N1CCO[C@@H](COC)C1 ZINC000179260957 525549755 /nfs/dbraw/zinc/54/97/55/525549755.db2.gz JSLLQLXDACLEJN-GDBMZVCRSA-N 2 2 366.531 1.417 20 30 FDEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)N1CCO[C@@H](COC)C1 ZINC000179260957 525549760 /nfs/dbraw/zinc/54/97/60/525549760.db2.gz JSLLQLXDACLEJN-GDBMZVCRSA-N 2 2 366.531 1.417 20 30 FDEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131575038 525875258 /nfs/dbraw/zinc/87/52/58/525875258.db2.gz QZODQRHKUBGRCJ-UYAOXDASSA-N 2 2 360.498 1.809 20 30 FDEDLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000328621148 526014266 /nfs/dbraw/zinc/01/42/66/526014266.db2.gz AIHMFPMBDBADJA-KBPBESRZSA-N 2 2 373.436 1.611 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183764465 536047022 /nfs/dbraw/zinc/04/70/22/536047022.db2.gz QKVWFZOKBQKVGT-UHFFFAOYSA-N 2 2 353.426 1.866 20 30 FDEDLP CCc1nnc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000269422055 537020811 /nfs/dbraw/zinc/02/08/11/537020811.db2.gz LZAXWHGPIHKOFW-UHFFFAOYSA-N 2 2 372.473 1.629 20 30 FDEDLP CCc1nnc(CO[NH+]=C(N)CC[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000269422055 537020815 /nfs/dbraw/zinc/02/08/15/537020815.db2.gz LZAXWHGPIHKOFW-UHFFFAOYSA-N 2 2 372.473 1.629 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C)C(C)C ZINC000283904298 537392366 /nfs/dbraw/zinc/39/23/66/537392366.db2.gz FYKJATVREHGIHS-MRXNPFEDSA-N 2 2 361.490 1.193 20 30 FDEDLP CC(C)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCN(C)CC1 ZINC000304511179 537599415 /nfs/dbraw/zinc/59/94/15/537599415.db2.gz WYZIHIQMFJARHI-MSOLQXFVSA-N 2 2 359.518 1.687 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000375904878 537797625 /nfs/dbraw/zinc/79/76/25/537797625.db2.gz LKFKXHVMWBJMNY-MJGOQNOKSA-N 2 2 369.513 1.986 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000375904878 537797633 /nfs/dbraw/zinc/79/76/33/537797633.db2.gz LKFKXHVMWBJMNY-MJGOQNOKSA-N 2 2 369.513 1.986 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000375904876 537798332 /nfs/dbraw/zinc/79/83/32/537798332.db2.gz LKFKXHVMWBJMNY-HKUYNNGSSA-N 2 2 369.513 1.986 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000375904876 537798338 /nfs/dbraw/zinc/79/83/38/537798338.db2.gz LKFKXHVMWBJMNY-HKUYNNGSSA-N 2 2 369.513 1.986 20 30 FDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000371293903 537805454 /nfs/dbraw/zinc/80/54/54/537805454.db2.gz IEZZQLJEKDABIW-QYZOEREBSA-N 2 2 356.470 1.358 20 30 FDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000371293903 537805460 /nfs/dbraw/zinc/80/54/60/537805460.db2.gz IEZZQLJEKDABIW-QYZOEREBSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424152100 538247272 /nfs/dbraw/zinc/24/72/72/538247272.db2.gz IGMUJTYPQHMHOA-HKUYNNGSSA-N 2 2 358.486 1.757 20 30 FDEDLP COc1cc(C#N)ccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000501208767 538639924 /nfs/dbraw/zinc/63/99/24/538639924.db2.gz YZFXJZGUENSTMW-UHFFFAOYSA-N 2 2 352.442 1.745 20 30 FDEDLP C[NH+]1CCC(C#N)(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000560863345 545622550 /nfs/dbraw/zinc/62/25/50/545622550.db2.gz IATTVUAQSYYQJX-GOSISDBHSA-N 2 2 356.470 1.382 20 30 FDEDLP C[NH+]1CCC(C#N)(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000560863345 545622553 /nfs/dbraw/zinc/62/25/53/545622553.db2.gz IATTVUAQSYYQJX-GOSISDBHSA-N 2 2 356.470 1.382 20 30 FDEDLP CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000563365267 546502892 /nfs/dbraw/zinc/50/28/92/546502892.db2.gz LFIZSFSBPMFVIQ-QFBILLFUSA-N 2 2 358.486 1.805 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000579465465 550876150 /nfs/dbraw/zinc/87/61/50/550876150.db2.gz APNKEOGLSKIGCD-YJBOKZPZSA-N 2 2 350.507 1.435 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC3=CC[NH2+]CC3)CC2)cc1 ZINC000591360740 551866091 /nfs/dbraw/zinc/86/60/91/551866091.db2.gz JPXURNKNUYRRPD-UHFFFAOYSA-N 2 2 353.470 1.695 20 30 FDEDLP Cn1cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000593049852 552056128 /nfs/dbraw/zinc/05/61/28/552056128.db2.gz FIMDACCLJNCFGQ-UHFFFAOYSA-N 2 2 366.469 1.165 20 30 FDEDLP Cn1cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000593049852 552056129 /nfs/dbraw/zinc/05/61/29/552056129.db2.gz FIMDACCLJNCFGQ-UHFFFAOYSA-N 2 2 366.469 1.165 20 30 FDEDLP COc1cc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)cc(OC)c1 ZINC000594438833 552310233 /nfs/dbraw/zinc/31/02/33/552310233.db2.gz MIIJRGZMSHOIMH-LJQANCHMSA-N 2 2 374.485 1.759 20 30 FDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000595960204 552638886 /nfs/dbraw/zinc/63/88/86/552638886.db2.gz KUQJNCIZQTWYCU-OTWHNJEPSA-N 2 2 356.470 1.509 20 30 FDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000595960204 552638888 /nfs/dbraw/zinc/63/88/88/552638888.db2.gz KUQJNCIZQTWYCU-OTWHNJEPSA-N 2 2 356.470 1.509 20 30 FDEDLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000599090748 552966454 /nfs/dbraw/zinc/96/64/54/552966454.db2.gz CKTWUMVKXNLCQR-IBGZPJMESA-N 2 2 371.485 1.152 20 30 FDEDLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000599090748 552966455 /nfs/dbraw/zinc/96/64/55/552966455.db2.gz CKTWUMVKXNLCQR-IBGZPJMESA-N 2 2 371.485 1.152 20 30 FDEDLP COc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)cc1C#N ZINC000599808077 553153529 /nfs/dbraw/zinc/15/35/29/553153529.db2.gz HSBUQCNNSVKQTE-UHFFFAOYSA-N 2 2 351.426 1.711 20 30 FDEDLP COc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)cc1C#N ZINC000599808077 553153531 /nfs/dbraw/zinc/15/35/31/553153531.db2.gz HSBUQCNNSVKQTE-UHFFFAOYSA-N 2 2 351.426 1.711 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000602509350 553595524 /nfs/dbraw/zinc/59/55/24/553595524.db2.gz GHLSZXWPIPCIKB-SFHVURJKSA-N 2 2 372.517 1.677 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000602527287 553599123 /nfs/dbraw/zinc/59/91/23/553599123.db2.gz NRZYORYDXNSAPK-SJORKVTESA-N 2 2 350.507 1.618 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000602527287 553599124 /nfs/dbraw/zinc/59/91/24/553599124.db2.gz NRZYORYDXNSAPK-SJORKVTESA-N 2 2 350.507 1.618 20 30 FDEDLP N#Cc1cccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)n1 ZINC000602530009 553599703 /nfs/dbraw/zinc/59/97/03/553599703.db2.gz SJSXNXYCIJWJCY-UHFFFAOYSA-N 2 2 352.438 1.954 20 30 FDEDLP CC(C)[C@H](C#N)N1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602794113 553640175 /nfs/dbraw/zinc/64/01/75/553640175.db2.gz FNWIVHNFYCYSDK-SFTDATJTSA-N 2 2 356.514 1.789 20 30 FDEDLP C[C@@H]1C[NH+](C/C=C\C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@@H](C)N1CC#N ZINC000602847402 553650235 /nfs/dbraw/zinc/65/02/35/553650235.db2.gz BBDAPSDMMULINR-DTGBZTBESA-N 2 2 358.534 1.379 20 30 FDEDLP C[C@@H]1C[NH+](C/C=C\C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@@H](C)N1CC#N ZINC000602847402 553650236 /nfs/dbraw/zinc/65/02/36/553650236.db2.gz BBDAPSDMMULINR-DTGBZTBESA-N 2 2 358.534 1.379 20 30 FDEDLP C[C@H]1C[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)N1CC#N ZINC000602854176 553651329 /nfs/dbraw/zinc/65/13/29/553651329.db2.gz AGNRPNIFRSUMDO-ROUUACIJSA-N 2 2 370.501 1.038 20 30 FDEDLP CC[NH+]=C(NCC[N@@H+]1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261938881 672697816 /nfs/dbraw/zinc/69/78/16/672697816.db2.gz DBUDASRRODDFKC-OAHLLOKOSA-N 2 2 358.552 1.193 20 30 FDEDLP CC[NH+]=C(NCC[N@H+]1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261938881 672697822 /nfs/dbraw/zinc/69/78/22/672697822.db2.gz DBUDASRRODDFKC-OAHLLOKOSA-N 2 2 358.552 1.193 20 30 FDEDLP C[NH+]=C(NC[C@H](C1CCCCC1)[NH+](C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261955883 672701732 /nfs/dbraw/zinc/70/17/32/672701732.db2.gz ITBSCVUGTCNEKU-MRXNPFEDSA-N 2 2 372.579 1.581 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](O)C(C)(C)C3)CC2)CC1 ZINC000329414839 676637810 /nfs/dbraw/zinc/63/78/10/676637810.db2.gz FFDWRBIJCSHGRN-KRWDZBQOSA-N 2 2 352.523 1.552 20 30 FDEDLP N#Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)ccc1F ZINC001022228977 778778938 /nfs/dbraw/zinc/77/89/38/778778938.db2.gz SKHUDPARUIUKQZ-QKPAOTATSA-N 2 2 353.401 1.961 20 30 FDEDLP N#Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)ccc1F ZINC001022228977 778778942 /nfs/dbraw/zinc/77/89/42/778778942.db2.gz SKHUDPARUIUKQZ-QKPAOTATSA-N 2 2 353.401 1.961 20 30 FDEDLP CC(C)(CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000328866423 779149358 /nfs/dbraw/zinc/14/93/58/779149358.db2.gz NWPISAPREXFDOH-UHFFFAOYSA-N 2 2 368.522 1.055 20 30 FDEDLP CC[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261970663 779758586 /nfs/dbraw/zinc/75/85/86/779758586.db2.gz MRSNZTXFOQXTJK-BZSNNMDCSA-N 2 2 362.522 1.452 20 30 FDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCC(=O)NCC)c(OC)c2)CC1 ZINC000236889442 806174578 /nfs/dbraw/zinc/17/45/78/806174578.db2.gz AFAXGNYMGVWSNK-UHFFFAOYSA-N 2 2 361.486 1.950 20 30 FDEDLP C=CC[C@]1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000662697522 806969228 /nfs/dbraw/zinc/96/92/28/806969228.db2.gz FYJGKBXTSPHWFI-OAQYLSRUSA-N 2 2 373.497 1.712 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)CC[C@@H]1c1ccccc1 ZINC001087429817 807017397 /nfs/dbraw/zinc/01/73/97/807017397.db2.gz FEKQLNREQONYAX-NJYVYQBISA-N 2 2 369.509 1.705 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)CC[C@@H]1c1ccccc1 ZINC001087429817 807017408 /nfs/dbraw/zinc/01/74/08/807017408.db2.gz FEKQLNREQONYAX-NJYVYQBISA-N 2 2 369.509 1.705 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)CC[C@@H]1c1ccccc1 ZINC001087429817 807017414 /nfs/dbraw/zinc/01/74/14/807017414.db2.gz FEKQLNREQONYAX-NJYVYQBISA-N 2 2 369.509 1.705 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)CC[C@@H]1c1ccccc1 ZINC001087429817 807017428 /nfs/dbraw/zinc/01/74/28/807017428.db2.gz FEKQLNREQONYAX-NJYVYQBISA-N 2 2 369.509 1.705 20 30 FDEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043562 807682838 /nfs/dbraw/zinc/68/28/38/807682838.db2.gz RSNZVZXYTCNXCT-KURKYZTESA-N 2 2 351.491 1.023 20 30 FDEDLP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043562 807682841 /nfs/dbraw/zinc/68/28/41/807682841.db2.gz RSNZVZXYTCNXCT-KURKYZTESA-N 2 2 351.491 1.023 20 30 FDEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087441416 809455628 /nfs/dbraw/zinc/45/56/28/809455628.db2.gz GEHJZSJXGIBXRI-WOJBJXKFSA-N 2 2 350.466 1.960 20 30 FDEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087441416 809455632 /nfs/dbraw/zinc/45/56/32/809455632.db2.gz GEHJZSJXGIBXRI-WOJBJXKFSA-N 2 2 350.466 1.960 20 30 FDEDLP C=CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)COC ZINC000663876420 809973011 /nfs/dbraw/zinc/97/30/11/809973011.db2.gz GHTQGUYOBIIBDI-MRXNPFEDSA-N 2 2 352.523 1.778 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261957613 817672648 /nfs/dbraw/zinc/67/26/48/817672648.db2.gz JEPMQMZFLJTSIW-XLMAVXFVSA-N 3 2 365.566 1.522 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261957613 817672655 /nfs/dbraw/zinc/67/26/55/817672655.db2.gz JEPMQMZFLJTSIW-XLMAVXFVSA-N 3 2 365.566 1.522 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261957613 817672668 /nfs/dbraw/zinc/67/26/68/817672668.db2.gz JEPMQMZFLJTSIW-XLMAVXFVSA-N 3 2 365.566 1.522 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261957613 817672672 /nfs/dbraw/zinc/67/26/72/817672672.db2.gz JEPMQMZFLJTSIW-XLMAVXFVSA-N 3 2 365.566 1.522 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001075803896 820671201 /nfs/dbraw/zinc/67/12/01/820671201.db2.gz JBPMDRKXRMSWOA-FCGDIQPGSA-N 2 2 352.482 1.710 20 30 FDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001075803896 820671206 /nfs/dbraw/zinc/67/12/06/820671206.db2.gz JBPMDRKXRMSWOA-FCGDIQPGSA-N 2 2 352.482 1.710 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000521412311 821247041 /nfs/dbraw/zinc/24/70/41/821247041.db2.gz ZTXBCUJNDBTKRR-MRXNPFEDSA-N 2 2 363.412 1.383 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@@H]2CC)CC1 ZINC001087840131 822559269 /nfs/dbraw/zinc/55/92/69/822559269.db2.gz JDUVGZDWMHEBHZ-RBUKOAKNSA-N 2 2 358.486 1.797 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H]2CC)CC1 ZINC001087840131 822559270 /nfs/dbraw/zinc/55/92/70/822559270.db2.gz JDUVGZDWMHEBHZ-RBUKOAKNSA-N 2 2 358.486 1.797 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001087920050 823866513 /nfs/dbraw/zinc/86/65/13/823866513.db2.gz CPRIUHDPXJLBOC-HSALFYBXSA-N 2 2 368.481 1.169 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001087920050 823866548 /nfs/dbraw/zinc/86/65/48/823866548.db2.gz CPRIUHDPXJLBOC-HSALFYBXSA-N 2 2 368.481 1.169 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001087920050 823866575 /nfs/dbraw/zinc/86/65/75/823866575.db2.gz CPRIUHDPXJLBOC-HSALFYBXSA-N 2 2 368.481 1.169 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001087920050 823866604 /nfs/dbraw/zinc/86/66/04/823866604.db2.gz CPRIUHDPXJLBOC-HSALFYBXSA-N 2 2 368.481 1.169 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-n4cncn4)nc3)CC2)CC1 ZINC000329277248 824708743 /nfs/dbraw/zinc/70/87/43/824708743.db2.gz KRCVLGPLGRPVNA-UHFFFAOYSA-N 2 2 369.473 1.526 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001088171141 827236366 /nfs/dbraw/zinc/23/63/66/827236366.db2.gz ZJXLUXIDEPWGPU-MOPGFXCFSA-N 2 2 363.465 1.815 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001088171141 827236375 /nfs/dbraw/zinc/23/63/75/827236375.db2.gz ZJXLUXIDEPWGPU-MOPGFXCFSA-N 2 2 363.465 1.815 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2sc(C)nc2C)[C@@H]1C ZINC001088631047 838621824 /nfs/dbraw/zinc/62/18/24/838621824.db2.gz ONYDUZAHSOCBMV-PVAVHDDUSA-N 2 2 360.527 1.937 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2sc(C)nc2C)[C@@H]1C ZINC001088631047 838621828 /nfs/dbraw/zinc/62/18/28/838621828.db2.gz ONYDUZAHSOCBMV-PVAVHDDUSA-N 2 2 360.527 1.937 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2sc(C)nc2C)[C@@H]1C ZINC001088631047 838621834 /nfs/dbraw/zinc/62/18/34/838621834.db2.gz ONYDUZAHSOCBMV-PVAVHDDUSA-N 2 2 360.527 1.937 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2sc(C)nc2C)[C@@H]1C ZINC001088631047 838621835 /nfs/dbraw/zinc/62/18/35/838621835.db2.gz ONYDUZAHSOCBMV-PVAVHDDUSA-N 2 2 360.527 1.937 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668078 843753883 /nfs/dbraw/zinc/75/38/83/843753883.db2.gz WCTNFHPLIXRZTG-HNBVOPMISA-N 2 2 360.502 1.505 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673003 845263778 /nfs/dbraw/zinc/26/37/78/845263778.db2.gz GDIJHBIFQHXAAC-IZBJGVDFSA-N 2 2 360.502 1.815 20 30 FDEDLP Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000272101638 870324592 /nfs/dbraw/zinc/32/45/92/870324592.db2.gz HANKECQUHCCSKB-SFHVURJKSA-N 2 2 366.469 1.388 20 30 FDEDLP Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000272101638 870324610 /nfs/dbraw/zinc/32/46/10/870324610.db2.gz HANKECQUHCCSKB-SFHVURJKSA-N 2 2 366.469 1.388 20 30 FDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001106621650 876246439 /nfs/dbraw/zinc/24/64/39/876246439.db2.gz XEIFKSKHCUZNEW-KYJSFNMBSA-N 2 2 361.490 1.107 20 30 FDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001106621650 876246453 /nfs/dbraw/zinc/24/64/53/876246453.db2.gz XEIFKSKHCUZNEW-KYJSFNMBSA-N 2 2 361.490 1.107 20 30 FDEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083832426 879200975 /nfs/dbraw/zinc/20/09/75/879200975.db2.gz GKGPDPCZHJGIPL-AABGKKOBSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083832426 879200991 /nfs/dbraw/zinc/20/09/91/879200991.db2.gz GKGPDPCZHJGIPL-AABGKKOBSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083832426 879201005 /nfs/dbraw/zinc/20/10/05/879201005.db2.gz GKGPDPCZHJGIPL-AABGKKOBSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083832426 879201022 /nfs/dbraw/zinc/20/10/22/879201022.db2.gz GKGPDPCZHJGIPL-AABGKKOBSA-N 2 2 370.497 1.482 20 30 FDEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034325193 884194865 /nfs/dbraw/zinc/19/48/65/884194865.db2.gz ZEFKUIAMVOQLDY-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000918906295 885008335 /nfs/dbraw/zinc/00/83/35/885008335.db2.gz MITJGYZVVOXESI-SFHVURJKSA-N 2 2 355.486 1.834 20 30 FDEDLP Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000918906295 885008380 /nfs/dbraw/zinc/00/83/80/885008380.db2.gz MITJGYZVVOXESI-SFHVURJKSA-N 2 2 355.486 1.834 20 30 FDEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077553199 886358564 /nfs/dbraw/zinc/35/85/64/886358564.db2.gz FZURDEMBYHUEBO-NJDAHSKKSA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077553199 886358585 /nfs/dbraw/zinc/35/85/85/886358585.db2.gz FZURDEMBYHUEBO-NJDAHSKKSA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077553199 886358606 /nfs/dbraw/zinc/35/86/06/886358606.db2.gz FZURDEMBYHUEBO-NJDAHSKKSA-N 2 2 369.509 1.321 20 30 FDEDLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077553199 886358625 /nfs/dbraw/zinc/35/86/25/886358625.db2.gz FZURDEMBYHUEBO-NJDAHSKKSA-N 2 2 369.509 1.321 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000373114328 887109413 /nfs/dbraw/zinc/10/94/13/887109413.db2.gz YMHZGNAZDGPTKP-ZWKOTPCHSA-N 2 2 372.517 1.292 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000373114328 887109415 /nfs/dbraw/zinc/10/94/15/887109415.db2.gz YMHZGNAZDGPTKP-ZWKOTPCHSA-N 2 2 372.517 1.292 20 30 FDEDLP C=C(C)C[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000466661393 887955562 /nfs/dbraw/zinc/95/55/62/887955562.db2.gz ROHGEXFINIHPBH-QGZVFWFLSA-N 2 2 364.534 1.286 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000672356723 893186016 /nfs/dbraw/zinc/18/60/16/893186016.db2.gz PUBKIIILEHZLBY-IBGZPJMESA-N 2 2 370.497 1.446 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000672356723 893186022 /nfs/dbraw/zinc/18/60/22/893186022.db2.gz PUBKIIILEHZLBY-IBGZPJMESA-N 2 2 370.497 1.446 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC)[NH+](C)C ZINC001212460716 893831340 /nfs/dbraw/zinc/83/13/40/893831340.db2.gz KKZFBRFWTQIBGU-GUDVDZBRSA-N 2 2 361.461 1.333 20 30 FDEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC)[NH+](C)C ZINC001212460716 893831364 /nfs/dbraw/zinc/83/13/64/893831364.db2.gz KKZFBRFWTQIBGU-GUDVDZBRSA-N 2 2 361.461 1.333 20 30 FDEDLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccccc4C#N)C[C@H]32)CC[N@@H+]1C ZINC001084354497 914165691 /nfs/dbraw/zinc/16/56/91/914165691.db2.gz HNKBOPRLZJALEX-HUYLIWGRSA-N 2 2 352.482 1.931 20 30 FDEDLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccccc4C#N)C[C@H]32)CC[N@H+]1C ZINC001084354497 914165698 /nfs/dbraw/zinc/16/56/98/914165698.db2.gz HNKBOPRLZJALEX-HUYLIWGRSA-N 2 2 352.482 1.931 20 30 FDEDLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CC[NH+]1C ZINC001084354497 914165703 /nfs/dbraw/zinc/16/57/03/914165703.db2.gz HNKBOPRLZJALEX-HUYLIWGRSA-N 2 2 352.482 1.931 20 30 FDEDLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC[NH+]1C ZINC001084354497 914165709 /nfs/dbraw/zinc/16/57/09/914165709.db2.gz HNKBOPRLZJALEX-HUYLIWGRSA-N 2 2 352.482 1.931 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001084417947 914377050 /nfs/dbraw/zinc/37/70/50/914377050.db2.gz NQRZDBBVYARLBU-QHAWAJNXSA-N 2 2 362.477 1.689 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001084417947 914377073 /nfs/dbraw/zinc/37/70/73/914377073.db2.gz NQRZDBBVYARLBU-QHAWAJNXSA-N 2 2 362.477 1.689 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001084417947 914377091 /nfs/dbraw/zinc/37/70/91/914377091.db2.gz NQRZDBBVYARLBU-QHAWAJNXSA-N 2 2 362.477 1.689 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001084417947 914377102 /nfs/dbraw/zinc/37/71/02/914377102.db2.gz NQRZDBBVYARLBU-QHAWAJNXSA-N 2 2 362.477 1.689 20 30 FDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129307642 901067948 /nfs/dbraw/zinc/06/79/48/901067948.db2.gz JKEFSTGJUGMPRV-SJORKVTESA-N 2 2 369.473 1.053 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129307642 901067955 /nfs/dbraw/zinc/06/79/55/901067955.db2.gz JKEFSTGJUGMPRV-SJORKVTESA-N 2 2 369.473 1.053 20 30 FDEDLP C=CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244806 902249245 /nfs/dbraw/zinc/24/92/45/902249245.db2.gz GVLQHIOEEWOSJS-ZWKOTPCHSA-N 2 2 358.486 1.858 20 30 FDEDLP C=CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244806 902249258 /nfs/dbraw/zinc/24/92/58/902249258.db2.gz GVLQHIOEEWOSJS-ZWKOTPCHSA-N 2 2 358.486 1.858 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC001079878008 903599929 /nfs/dbraw/zinc/59/99/29/903599929.db2.gz ARRHMLFUGAVCPP-QRQLOZEOSA-N 2 2 369.513 1.182 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC001079878008 903599944 /nfs/dbraw/zinc/59/99/44/903599944.db2.gz ARRHMLFUGAVCPP-QRQLOZEOSA-N 2 2 369.513 1.182 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC001079878008 903599954 /nfs/dbraw/zinc/59/99/54/903599954.db2.gz ARRHMLFUGAVCPP-QRQLOZEOSA-N 2 2 369.513 1.182 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC001079878008 903599974 /nfs/dbraw/zinc/59/99/74/903599974.db2.gz ARRHMLFUGAVCPP-QRQLOZEOSA-N 2 2 369.513 1.182 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951322 903751018 /nfs/dbraw/zinc/75/10/18/903751018.db2.gz HDLBDRFEWAZAPR-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951322 903751026 /nfs/dbraw/zinc/75/10/26/903751026.db2.gz HDLBDRFEWAZAPR-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951322 903751034 /nfs/dbraw/zinc/75/10/34/903751034.db2.gz HDLBDRFEWAZAPR-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951322 903751042 /nfs/dbraw/zinc/75/10/42/903751042.db2.gz HDLBDRFEWAZAPR-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001107454771 905015503 /nfs/dbraw/zinc/01/55/03/905015503.db2.gz NDMVXIQHGHJNJO-FBBABVLZSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001107454771 905015521 /nfs/dbraw/zinc/01/55/21/905015521.db2.gz NDMVXIQHGHJNJO-FBBABVLZSA-N 2 2 370.497 1.456 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081855531 905242086 /nfs/dbraw/zinc/24/20/86/905242086.db2.gz IKOSMYAJXQEOIO-GUDVDZBRSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081855531 905242101 /nfs/dbraw/zinc/24/21/01/905242101.db2.gz IKOSMYAJXQEOIO-GUDVDZBRSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001081855531 905242117 /nfs/dbraw/zinc/24/21/17/905242117.db2.gz IKOSMYAJXQEOIO-GUDVDZBRSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001081855531 905242127 /nfs/dbraw/zinc/24/21/27/905242127.db2.gz IKOSMYAJXQEOIO-GUDVDZBRSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949453 905422776 /nfs/dbraw/zinc/42/27/76/905422776.db2.gz QAQLLRDEKAKAJE-HZPDHXFCSA-N 2 2 359.455 1.140 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949453 905422780 /nfs/dbraw/zinc/42/27/80/905422780.db2.gz QAQLLRDEKAKAJE-HZPDHXFCSA-N 2 2 359.455 1.140 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080942826 906765691 /nfs/dbraw/zinc/76/56/91/906765691.db2.gz BNLWJUHBKZKUMT-CRAIPNDOSA-N 2 2 356.470 1.599 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080942826 906765717 /nfs/dbraw/zinc/76/57/17/906765717.db2.gz BNLWJUHBKZKUMT-CRAIPNDOSA-N 2 2 356.470 1.599 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001080998159 906975808 /nfs/dbraw/zinc/97/58/08/906975808.db2.gz VJOYEKTUDZMUCQ-QGPMSJSTSA-N 2 2 358.486 1.826 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)CC1 ZINC001080998159 906975817 /nfs/dbraw/zinc/97/58/17/906975817.db2.gz VJOYEKTUDZMUCQ-QGPMSJSTSA-N 2 2 358.486 1.826 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC001082568789 908712238 /nfs/dbraw/zinc/71/22/38/908712238.db2.gz RQNYYEBMTAWOGE-ZMYBRWDISA-N 2 2 356.470 1.586 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC001082568789 908712253 /nfs/dbraw/zinc/71/22/53/908712253.db2.gz RQNYYEBMTAWOGE-ZMYBRWDISA-N 2 2 356.470 1.586 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084832830 917549972 /nfs/dbraw/zinc/54/99/72/917549972.db2.gz AEIZFZYBAHRORJ-VQIMIIECSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084832830 917549978 /nfs/dbraw/zinc/54/99/78/917549978.db2.gz AEIZFZYBAHRORJ-VQIMIIECSA-N 2 2 367.428 1.935 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C)ncn4)C[C@H]32)CC1 ZINC001084851292 917660427 /nfs/dbraw/zinc/66/04/27/917660427.db2.gz WFCFCFMDZBCILB-UYAOXDASSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C)ncn4)C[C@H]32)CC1 ZINC001084851292 917660435 /nfs/dbraw/zinc/66/04/35/917660435.db2.gz WFCFCFMDZBCILB-UYAOXDASSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085015014 919667850 /nfs/dbraw/zinc/66/78/50/919667850.db2.gz QZCBERRGXRMYEV-HOJAQTOUSA-N 2 2 359.514 1.576 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085015014 919667862 /nfs/dbraw/zinc/66/78/62/919667862.db2.gz QZCBERRGXRMYEV-HOJAQTOUSA-N 2 2 359.514 1.576 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085015014 919667873 /nfs/dbraw/zinc/66/78/73/919667873.db2.gz QZCBERRGXRMYEV-HOJAQTOUSA-N 2 2 359.514 1.576 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085015014 919667883 /nfs/dbraw/zinc/66/78/83/919667883.db2.gz QZCBERRGXRMYEV-HOJAQTOUSA-N 2 2 359.514 1.576 20 30 FDEDLP C[NH+](C)CC1CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000732569683 919809065 /nfs/dbraw/zinc/80/90/65/919809065.db2.gz VNPRBSJQCGBORJ-INIZCTEOSA-N 2 2 367.453 1.785 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001085669712 925030714 /nfs/dbraw/zinc/03/07/14/925030714.db2.gz FYVZAQWHIGXIJU-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001085669712 925030720 /nfs/dbraw/zinc/03/07/20/925030720.db2.gz FYVZAQWHIGXIJU-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)O1 ZINC001085669712 925030724 /nfs/dbraw/zinc/03/07/24/925030724.db2.gz FYVZAQWHIGXIJU-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)O1 ZINC001085669712 925030728 /nfs/dbraw/zinc/03/07/28/925030728.db2.gz FYVZAQWHIGXIJU-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C#N)c(C)c1Br ZINC001169073476 928262357 /nfs/dbraw/zinc/26/23/57/928262357.db2.gz ISERHGAWNVGKLM-SNVBAGLBSA-N 2 2 350.220 1.380 20 30 FDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109732895 930270762 /nfs/dbraw/zinc/27/07/62/930270762.db2.gz ARKMYTGTSBSPDD-YVSFHVDLSA-N 2 2 355.910 1.961 20 30 FDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109732895 930270768 /nfs/dbraw/zinc/27/07/68/930270768.db2.gz ARKMYTGTSBSPDD-YVSFHVDLSA-N 2 2 355.910 1.961 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966428 930926435 /nfs/dbraw/zinc/92/64/35/930926435.db2.gz QEMPRCMQOXTPNB-AQCRLBJHSA-N 2 2 369.509 1.835 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966428 930926444 /nfs/dbraw/zinc/92/64/44/930926444.db2.gz QEMPRCMQOXTPNB-AQCRLBJHSA-N 2 2 369.509 1.835 20 30 FDEDLP COc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1C#N ZINC000746740761 932627943 /nfs/dbraw/zinc/62/79/43/932627943.db2.gz HMKAXFDNQPNIFK-UHFFFAOYSA-N 2 2 352.442 1.398 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129484712 938439915 /nfs/dbraw/zinc/43/99/15/938439915.db2.gz CPIWMNKAZQLMIO-SJORKVTESA-N 2 2 357.462 1.263 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129484712 938439916 /nfs/dbraw/zinc/43/99/16/938439916.db2.gz CPIWMNKAZQLMIO-SJORKVTESA-N 2 2 357.462 1.263 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129887531 938540178 /nfs/dbraw/zinc/54/01/78/938540178.db2.gz DGQRAQKBWITRLV-OIISXLGYSA-N 2 2 357.462 1.330 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129887531 938540180 /nfs/dbraw/zinc/54/01/80/938540180.db2.gz DGQRAQKBWITRLV-OIISXLGYSA-N 2 2 357.462 1.330 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130615080 939912358 /nfs/dbraw/zinc/91/23/58/939912358.db2.gz KCTIZSRUGVPHSL-QXAKKESOSA-N 2 2 368.485 1.421 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001130625883 939923325 /nfs/dbraw/zinc/92/33/25/939923325.db2.gz ADUDDOXHNUKEBU-DOTOQJQBSA-N 2 2 362.437 1.289 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001131522332 940705431 /nfs/dbraw/zinc/70/54/31/940705431.db2.gz CNWSUHCDTVRCFV-RLLQIKCJSA-N 2 2 370.497 1.455 20 30 FDEDLP C#CCOc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000824925858 946879127 /nfs/dbraw/zinc/87/91/27/946879127.db2.gz GKRHFLSKNRDANW-UHFFFAOYSA-N 2 2 357.498 1.585 20 30 FDEDLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087088250 953250567 /nfs/dbraw/zinc/25/05/67/953250567.db2.gz PRWINXGFOIFINX-IEBWSBKVSA-N 2 2 367.453 1.477 20 30 FDEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196925057 971972854 /nfs/dbraw/zinc/97/28/54/971972854.db2.gz IRFCZSHXNMEYCP-WOJBJXKFSA-N 2 2 366.465 1.185 20 30 FDEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001196925057 971972856 /nfs/dbraw/zinc/97/28/56/971972856.db2.gz IRFCZSHXNMEYCP-WOJBJXKFSA-N 2 2 366.465 1.185 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001092689686 956197668 /nfs/dbraw/zinc/19/76/68/956197668.db2.gz PSVFXJBBRPFNRM-OIISXLGYSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001092689686 956197672 /nfs/dbraw/zinc/19/76/72/956197672.db2.gz PSVFXJBBRPFNRM-OIISXLGYSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ncc(C)s2)C[C@H]1C ZINC001092689686 956197675 /nfs/dbraw/zinc/19/76/75/956197675.db2.gz PSVFXJBBRPFNRM-OIISXLGYSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ncc(C)s2)C[C@H]1C ZINC001092689686 956197678 /nfs/dbraw/zinc/19/76/78/956197678.db2.gz PSVFXJBBRPFNRM-OIISXLGYSA-N 2 2 360.527 1.733 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092847985 956488860 /nfs/dbraw/zinc/48/88/60/956488860.db2.gz JYHYODRBFMCOKE-MKXGPGLRSA-N 2 2 365.518 1.126 20 30 FDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092847985 956488870 /nfs/dbraw/zinc/48/88/70/956488870.db2.gz JYHYODRBFMCOKE-MKXGPGLRSA-N 2 2 365.518 1.126 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001093472033 958237306 /nfs/dbraw/zinc/23/73/06/958237306.db2.gz HYYMMRFWTFFWQQ-JYBIWHBTSA-N 2 2 360.502 1.505 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001093474621 958248244 /nfs/dbraw/zinc/24/82/44/958248244.db2.gz SWFAMLZMCNFNDU-RNKNFESXSA-N 2 2 358.486 1.287 20 30 FDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC001182252830 961658035 /nfs/dbraw/zinc/65/80/35/961658035.db2.gz JTFGLSINUZFFLZ-UHFFFAOYSA-N 2 2 363.425 1.800 20 30 FDEDLP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001182669372 962379433 /nfs/dbraw/zinc/37/94/33/962379433.db2.gz NTXBYSHRVYBHME-WOCWXWTJSA-N 2 2 358.486 1.248 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)n1cnc(C[NH3+])cc1=N ZINC001183838926 963305880 /nfs/dbraw/zinc/30/58/80/963305880.db2.gz NZVFCQBTLMINFX-KRWDZBQOSA-N 2 2 350.426 1.388 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)n1cnc(C[NH3+])cc1=N ZINC001183838926 963305889 /nfs/dbraw/zinc/30/58/89/963305889.db2.gz NZVFCQBTLMINFX-KRWDZBQOSA-N 2 2 350.426 1.388 20 30 FDEDLP C=C1CC(C)(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001184782925 963717095 /nfs/dbraw/zinc/71/70/95/963717095.db2.gz MDSXYXGWQNNOOD-UHFFFAOYSA-N 2 2 362.518 1.040 20 30 FDEDLP C=C1CC(C)(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001184782925 963717104 /nfs/dbraw/zinc/71/71/04/963717104.db2.gz MDSXYXGWQNNOOD-UHFFFAOYSA-N 2 2 362.518 1.040 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186203388 964350437 /nfs/dbraw/zinc/35/04/37/964350437.db2.gz KIRLBJDKJHDXAI-SJLPKXTDSA-N 2 2 354.429 1.946 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186203388 964350446 /nfs/dbraw/zinc/35/04/46/964350446.db2.gz KIRLBJDKJHDXAI-SJLPKXTDSA-N 2 2 354.429 1.946 20 30 FDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179097948 964718883 /nfs/dbraw/zinc/71/88/83/964718883.db2.gz VPJWJMGTODNFQX-MOPGFXCFSA-N 2 2 365.518 1.156 20 30 FDEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)cn1 ZINC000863551998 973009146 /nfs/dbraw/zinc/00/91/46/973009146.db2.gz VBJJVMJQULGGLV-GOSISDBHSA-N 2 2 363.421 1.977 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071055 973887243 /nfs/dbraw/zinc/88/72/43/973887243.db2.gz FYUXKNWOOBTESE-RTBURBONSA-N 2 2 356.470 1.096 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071055 973887259 /nfs/dbraw/zinc/88/72/59/973887259.db2.gz FYUXKNWOOBTESE-RTBURBONSA-N 2 2 356.470 1.096 20 30 FDEDLP C#CCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000880478179 979219621 /nfs/dbraw/zinc/21/96/21/979219621.db2.gz WKGHNDYKQOXXDB-UHFFFAOYSA-N 2 2 369.509 1.489 20 30 FDEDLP C#CC[C@H](CCOC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000858189884 981902876 /nfs/dbraw/zinc/90/28/76/981902876.db2.gz VCXZREONYSCZIF-MRXNPFEDSA-N 2 2 350.507 1.273 20 30 FDEDLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884224790 982998736 /nfs/dbraw/zinc/99/87/36/982998736.db2.gz ZBEOIDZQNHKAIA-IDYZSHNDSA-N 2 2 368.481 1.905 20 30 FDEDLP C#CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CC[NH+](C)CC1 ZINC000886581416 986383901 /nfs/dbraw/zinc/38/39/01/986383901.db2.gz WRECARWWFXRTME-UHFFFAOYSA-N 2 2 357.502 1.188 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718765 988714672 /nfs/dbraw/zinc/71/46/72/988714672.db2.gz BAEAHLPPZXGKNF-UZLBHIALSA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718765 988714681 /nfs/dbraw/zinc/71/46/81/988714681.db2.gz BAEAHLPPZXGKNF-UZLBHIALSA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000371508493 990489136 /nfs/dbraw/zinc/48/91/36/990489136.db2.gz JUKMDHXWLOTZMY-MJGOQNOKSA-N 2 2 358.486 1.646 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000876718642 992828359 /nfs/dbraw/zinc/82/83/59/992828359.db2.gz XJTRWYGCDDJWJC-CQSZACIVSA-N 2 2 350.850 1.483 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000928656998 1001612736 /nfs/dbraw/zinc/61/27/36/1001612736.db2.gz LPAIGEMZBQUUKI-UHFFFAOYSA-N 2 2 353.382 1.608 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948871 1001643654 /nfs/dbraw/zinc/64/36/54/1001643654.db2.gz OWYQFBRZJMGNPS-SVGFKBNWSA-N 2 2 374.485 1.367 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948871 1001643658 /nfs/dbraw/zinc/64/36/58/1001643658.db2.gz OWYQFBRZJMGNPS-SVGFKBNWSA-N 2 2 374.485 1.367 20 30 FDEDLP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000948929682 1002834385 /nfs/dbraw/zinc/83/43/85/1002834385.db2.gz OZEQMWWCHGJPHU-LSTHTHJFSA-N 2 2 357.498 1.997 20 30 FDEDLP C=C(C)C[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000948929682 1002834412 /nfs/dbraw/zinc/83/44/12/1002834412.db2.gz OZEQMWWCHGJPHU-LSTHTHJFSA-N 2 2 357.498 1.997 20 30 FDEDLP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929682 1002834429 /nfs/dbraw/zinc/83/44/29/1002834429.db2.gz OZEQMWWCHGJPHU-LSTHTHJFSA-N 2 2 357.498 1.997 20 30 FDEDLP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929682 1002834441 /nfs/dbraw/zinc/83/44/41/1002834441.db2.gz OZEQMWWCHGJPHU-LSTHTHJFSA-N 2 2 357.498 1.997 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931292404 1004032010 /nfs/dbraw/zinc/03/20/10/1004032010.db2.gz KZMAEWWHJBAEHH-IBGZPJMESA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931292404 1004032018 /nfs/dbraw/zinc/03/20/18/1004032018.db2.gz KZMAEWWHJBAEHH-IBGZPJMESA-N 2 2 359.470 1.485 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000245903122 178387854 /nfs/dbraw/zinc/38/78/54/178387854.db2.gz GWWKBAYOKOUQGD-AEFFLSMTSA-N 2 2 355.486 1.597 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000245903122 178387856 /nfs/dbraw/zinc/38/78/56/178387856.db2.gz GWWKBAYOKOUQGD-AEFFLSMTSA-N 2 2 355.486 1.597 20 30 FDEDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000528728823 539779748 /nfs/dbraw/zinc/77/97/48/539779748.db2.gz LDLOBGWQKCKVIR-GOSISDBHSA-N 2 2 359.470 1.485 20 30 FDEDLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000536360140 540584082 /nfs/dbraw/zinc/58/40/82/540584082.db2.gz RUYHBKJUYQDJSO-SFHVURJKSA-N 2 2 352.438 1.824 20 30 FDEDLP CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000295105890 184034011 /nfs/dbraw/zinc/03/40/11/184034011.db2.gz UFKLTESTLLZNLY-QGZVFWFLSA-N 2 2 364.515 1.440 20 30 FDEDLP C=C(C)CN(CC)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552515271 543478957 /nfs/dbraw/zinc/47/89/57/543478957.db2.gz FMDRKHVZYODYPP-UHFFFAOYSA-N 2 2 350.507 1.086 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000076969636 172119589 /nfs/dbraw/zinc/11/95/89/172119589.db2.gz FYWZYIDKEGMYPW-GOSISDBHSA-N 2 2 369.513 1.623 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000076969636 172119594 /nfs/dbraw/zinc/11/95/94/172119594.db2.gz FYWZYIDKEGMYPW-GOSISDBHSA-N 2 2 369.513 1.623 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000141563792 173377046 /nfs/dbraw/zinc/37/70/46/173377046.db2.gz UKEHQVDEAJVPRI-GOSISDBHSA-N 2 2 369.469 1.125 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000141563792 173377048 /nfs/dbraw/zinc/37/70/48/173377048.db2.gz UKEHQVDEAJVPRI-GOSISDBHSA-N 2 2 369.469 1.125 20 30 FDEDLP Cc1cccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000181061347 174205244 /nfs/dbraw/zinc/20/52/44/174205244.db2.gz UFEODWQOJBQHIO-UHFFFAOYSA-N 2 2 364.515 1.513 20 30 FDEDLP Cc1cccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000181061347 174205246 /nfs/dbraw/zinc/20/52/46/174205246.db2.gz UFEODWQOJBQHIO-UHFFFAOYSA-N 2 2 364.515 1.513 20 30 FDEDLP Cc1oc(NC(=O)CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)c1C ZINC000374257516 261100516 /nfs/dbraw/zinc/10/05/16/261100516.db2.gz FEHKVGMGCQACGV-AWEZNQCLSA-N 2 2 373.501 1.807 20 30 FDEDLP Cc1oc(NC(=O)CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)c1C ZINC000374257516 261100518 /nfs/dbraw/zinc/10/05/18/261100518.db2.gz FEHKVGMGCQACGV-AWEZNQCLSA-N 2 2 373.501 1.807 20 30 FDEDLP CC[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000023258204 518940233 /nfs/dbraw/zinc/94/02/33/518940233.db2.gz WASBYIZKDXWOEV-UHFFFAOYSA-N 2 2 369.513 1.276 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(OC)c2)CC1 ZINC000057154076 522015687 /nfs/dbraw/zinc/01/56/87/522015687.db2.gz YOZIJTMGIOMINA-LJQANCHMSA-N 2 2 366.465 1.980 20 30 FDEDLP C=CC[N@@H+](CCc1ccccc1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000062364198 522525328 /nfs/dbraw/zinc/52/53/28/522525328.db2.gz YSARBJIKAUXHMJ-UHFFFAOYSA-N 2 2 359.514 1.944 20 30 FDEDLP C=CC[N@H+](CCc1ccccc1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000062364198 522525332 /nfs/dbraw/zinc/52/53/32/522525332.db2.gz YSARBJIKAUXHMJ-UHFFFAOYSA-N 2 2 359.514 1.944 20 30 FDEDLP CCC[NH+]1CCC([NH+]2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000112358188 524468717 /nfs/dbraw/zinc/46/87/17/524468717.db2.gz IKWWYDKFEYFXGE-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159956335 524774852 /nfs/dbraw/zinc/77/48/52/524774852.db2.gz VAGGIGQYBBFACA-HZPDHXFCSA-N 2 2 370.505 1.860 20 30 FDEDLP CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160041175 524793956 /nfs/dbraw/zinc/79/39/56/524793956.db2.gz CRAQNTXUUCNJPA-APWZRJJASA-N 2 2 374.533 1.990 20 30 FDEDLP N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000176959024 525206276 /nfs/dbraw/zinc/20/62/76/525206276.db2.gz ARDVZTOUMCQMGJ-UHFFFAOYSA-N 2 2 355.467 1.843 20 30 FDEDLP COc1ccc(CNC(=[NH2+])NCC(C)(C)[NH+]2CCOCC2)cc1OC ZINC000104154924 525398220 /nfs/dbraw/zinc/39/82/20/525398220.db2.gz NGARVLLLYMLVRJ-UHFFFAOYSA-N 2 2 350.463 1.219 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000107369113 525874855 /nfs/dbraw/zinc/87/48/55/525874855.db2.gz KUPSMAKQHVPQNI-ROUUACIJSA-N 2 2 361.534 1.429 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000107369113 525874862 /nfs/dbraw/zinc/87/48/62/525874862.db2.gz KUPSMAKQHVPQNI-ROUUACIJSA-N 2 2 361.534 1.429 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000107369112 525876355 /nfs/dbraw/zinc/87/63/55/525876355.db2.gz KUPSMAKQHVPQNI-ZWKOTPCHSA-N 2 2 361.534 1.429 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000107369112 525876366 /nfs/dbraw/zinc/87/63/66/525876366.db2.gz KUPSMAKQHVPQNI-ZWKOTPCHSA-N 2 2 361.534 1.429 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000107369346 525877071 /nfs/dbraw/zinc/87/70/71/525877071.db2.gz GWWKBAYOKOUQGD-FUHWJXTLSA-N 2 2 355.486 1.597 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000107369346 525877077 /nfs/dbraw/zinc/87/70/77/525877077.db2.gz GWWKBAYOKOUQGD-FUHWJXTLSA-N 2 2 355.486 1.597 20 30 FDEDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181720705 525906227 /nfs/dbraw/zinc/90/62/27/525906227.db2.gz BGQFNWAEHWJWMP-GOSISDBHSA-N 3 2 355.530 1.748 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3CCCS3(=O)=O)CC2)cc1 ZINC000181929410 525984503 /nfs/dbraw/zinc/98/45/03/525984503.db2.gz DVQJNSRJRJSXOX-UHFFFAOYSA-N 2 2 362.499 1.148 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000171710018 526088320 /nfs/dbraw/zinc/08/83/20/526088320.db2.gz UHTLZRVEEPYZAK-UHFFFAOYSA-N 2 2 359.474 1.368 20 30 FDEDLP Cc1nc(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc[nH+]1 ZINC000183767158 536046784 /nfs/dbraw/zinc/04/67/84/536046784.db2.gz PTZDYZNNLBXSDT-UHFFFAOYSA-N 2 2 356.455 1.869 20 30 FDEDLP COc1ccc(CCNC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)cc1OC ZINC000267387399 536972917 /nfs/dbraw/zinc/97/29/17/536972917.db2.gz CBVKIUZCZLAEHS-UHFFFAOYSA-N 2 2 360.462 1.150 20 30 FDEDLP C=CC[N@@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000191086808 537197444 /nfs/dbraw/zinc/19/74/44/537197444.db2.gz XNVOXAHVFJTEJM-UHFFFAOYSA-N 2 2 373.497 1.400 20 30 FDEDLP C=CC[N@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000191086808 537197446 /nfs/dbraw/zinc/19/74/46/537197446.db2.gz XNVOXAHVFJTEJM-UHFFFAOYSA-N 2 2 373.497 1.400 20 30 FDEDLP CC(C)(O)C[NH+]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000331001256 537663665 /nfs/dbraw/zinc/66/36/65/537663665.db2.gz XAWHGOGYRKYFJR-UHFFFAOYSA-N 2 2 363.384 1.248 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000420973465 538371498 /nfs/dbraw/zinc/37/14/98/538371498.db2.gz CNEWFCOSOWDDSF-HXUWFJFHSA-N 2 2 369.513 1.577 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000420973465 538371499 /nfs/dbraw/zinc/37/14/99/538371499.db2.gz CNEWFCOSOWDDSF-HXUWFJFHSA-N 2 2 369.513 1.577 20 30 FDEDLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000420973465 538371501 /nfs/dbraw/zinc/37/15/01/538371501.db2.gz CNEWFCOSOWDDSF-HXUWFJFHSA-N 2 2 369.513 1.577 20 30 FDEDLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000420973465 538371502 /nfs/dbraw/zinc/37/15/02/538371502.db2.gz CNEWFCOSOWDDSF-HXUWFJFHSA-N 2 2 369.513 1.577 20 30 FDEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000566562132 547807799 /nfs/dbraw/zinc/80/77/99/547807799.db2.gz IKAHELNCNCVUCV-SFHVURJKSA-N 2 2 372.513 1.617 20 30 FDEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000566562132 547807803 /nfs/dbraw/zinc/80/78/03/547807803.db2.gz IKAHELNCNCVUCV-SFHVURJKSA-N 2 2 372.513 1.617 20 30 FDEDLP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC#CC[NH+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000568967797 548749286 /nfs/dbraw/zinc/74/92/86/548749286.db2.gz KOKYQGUXRDVACV-IYBDPMFKSA-N 2 2 366.550 1.460 20 30 FDEDLP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000568967797 548749290 /nfs/dbraw/zinc/74/92/90/548749290.db2.gz KOKYQGUXRDVACV-IYBDPMFKSA-N 2 2 366.550 1.460 20 30 FDEDLP C[C@H](C(=O)NC(C)(C)C)[NH+](C)CC#CC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000568967797 548749296 /nfs/dbraw/zinc/74/92/96/548749296.db2.gz KOKYQGUXRDVACV-IYBDPMFKSA-N 2 2 366.550 1.460 20 30 FDEDLP C[C@H](C(=O)NC(C)(C)C)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000568967797 548749300 /nfs/dbraw/zinc/74/93/00/548749300.db2.gz KOKYQGUXRDVACV-IYBDPMFKSA-N 2 2 366.550 1.460 20 30 FDEDLP C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570786055 549409474 /nfs/dbraw/zinc/40/94/74/549409474.db2.gz WSUOQPDSBYITPH-QFBILLFUSA-N 2 2 355.486 1.774 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000572224145 549868232 /nfs/dbraw/zinc/86/82/32/549868232.db2.gz YAYSAWPCQNIRJL-CYBMUJFWSA-N 2 2 371.363 1.606 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000572224145 549868234 /nfs/dbraw/zinc/86/82/34/549868234.db2.gz YAYSAWPCQNIRJL-CYBMUJFWSA-N 2 2 371.363 1.606 20 30 FDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000574913451 550391344 /nfs/dbraw/zinc/39/13/44/550391344.db2.gz SIQXKXQILFKFDN-INIZCTEOSA-N 2 2 358.442 1.123 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)c(F)c3)C2)CC1 ZINC000590806469 551818942 /nfs/dbraw/zinc/81/89/42/551818942.db2.gz IIQPDAGWHVITDJ-MRXNPFEDSA-N 2 2 359.449 1.665 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)c(F)c3)C2)CC1 ZINC000590806469 551818943 /nfs/dbraw/zinc/81/89/43/551818943.db2.gz IIQPDAGWHVITDJ-MRXNPFEDSA-N 2 2 359.449 1.665 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]CC3(C[NH+]4CCOCC4)CCCCC3)cnc12 ZINC000592503959 552002973 /nfs/dbraw/zinc/00/29/73/552002973.db2.gz MGPWRESCDKQFHS-UHFFFAOYSA-N 2 2 368.485 1.973 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594821235 552398509 /nfs/dbraw/zinc/39/85/09/552398509.db2.gz LKBUGWJNYPZVHS-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594821235 552398512 /nfs/dbraw/zinc/39/85/12/552398512.db2.gz LKBUGWJNYPZVHS-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000595907794 552631767 /nfs/dbraw/zinc/63/17/67/552631767.db2.gz YLRKDEFAKDTMHM-RTBURBONSA-N 2 2 356.470 1.706 20 30 FDEDLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000595907794 552631768 /nfs/dbraw/zinc/63/17/68/552631768.db2.gz YLRKDEFAKDTMHM-RTBURBONSA-N 2 2 356.470 1.706 20 30 FDEDLP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000599396081 553044869 /nfs/dbraw/zinc/04/48/69/553044869.db2.gz PHGQZMCGBYWUFT-ROUUACIJSA-N 2 2 351.491 1.244 20 30 FDEDLP N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000599396081 553044871 /nfs/dbraw/zinc/04/48/71/553044871.db2.gz PHGQZMCGBYWUFT-ROUUACIJSA-N 2 2 351.491 1.244 20 30 FDEDLP N#CC1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000602538084 553601639 /nfs/dbraw/zinc/60/16/39/553601639.db2.gz USIIGBRJGLKYGG-DAWZGUTISA-N 2 2 370.501 1.954 20 30 FDEDLP N#CC[C@@]1(O)CC[NH+](CC(C[N@H+]2CC[C@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850937 553650828 /nfs/dbraw/zinc/65/08/28/553650828.db2.gz INEGGMPKCVHTHI-NHCUHLMSSA-N 2 2 368.481 1.471 20 30 FDEDLP N#CC[C@@]1(O)CC[NH+](CC(C[N@@H+]2CC[C@](O)(CC#N)C2)c2ccccc2)C1 ZINC000602850937 553650830 /nfs/dbraw/zinc/65/08/30/553650830.db2.gz INEGGMPKCVHTHI-NHCUHLMSSA-N 2 2 368.481 1.471 20 30 FDEDLP COc1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)ccc1C#N ZINC000603428723 553786273 /nfs/dbraw/zinc/78/62/73/553786273.db2.gz QBWORFKTUWNRRK-IBGZPJMESA-N 2 2 358.486 1.453 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)CC1 ZINC000615793480 555241433 /nfs/dbraw/zinc/24/14/33/555241433.db2.gz OCSQJFSCWIVYBH-QGZVFWFLSA-N 2 2 361.534 1.428 20 30 FDEDLP CC[NH+]1CCC(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000328657398 676600884 /nfs/dbraw/zinc/60/08/84/676600884.db2.gz OXXQBLHITXNVSA-KRWDZBQOSA-N 2 2 356.536 1.182 20 30 FDEDLP C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329676010 676648881 /nfs/dbraw/zinc/64/88/81/676648881.db2.gz PINOSSWVEWEGEF-OKXMYEFYSA-N 2 2 370.563 1.300 20 30 FDEDLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCCOC2)O1 ZINC000330099211 676672300 /nfs/dbraw/zinc/67/23/00/676672300.db2.gz CTGDIUPIBNBREZ-BEFAXECRSA-N 2 2 351.491 1.840 20 30 FDEDLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCCOC2)O1 ZINC000330099211 676672303 /nfs/dbraw/zinc/67/23/03/676672303.db2.gz CTGDIUPIBNBREZ-BEFAXECRSA-N 2 2 351.491 1.840 20 30 FDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367555 777952848 /nfs/dbraw/zinc/95/28/48/777952848.db2.gz YLBYEIGILRMVLP-FGTMMUONSA-N 2 2 360.502 1.722 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[N@H+](C)C1 ZINC000328921034 779343297 /nfs/dbraw/zinc/34/32/97/779343297.db2.gz BJZNTSNOJIZKGC-ULQDDVLXSA-N 2 2 361.490 1.268 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[N@@H+](C)C1 ZINC000328921034 779343302 /nfs/dbraw/zinc/34/33/02/779343302.db2.gz BJZNTSNOJIZKGC-ULQDDVLXSA-N 2 2 361.490 1.268 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000418418082 795894965 /nfs/dbraw/zinc/89/49/65/795894965.db2.gz VWNBPICVESVRBG-RBUKOAKNSA-N 2 2 355.486 1.903 20 30 FDEDLP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001105330072 796143256 /nfs/dbraw/zinc/14/32/56/796143256.db2.gz NGEMQQLAOYZJAM-IAGOWNOFSA-N 2 2 369.473 1.254 20 30 FDEDLP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001087423922 805517407 /nfs/dbraw/zinc/51/74/07/805517407.db2.gz ALBYYMDKGATTHO-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001087423922 805517409 /nfs/dbraw/zinc/51/74/09/805517409.db2.gz ALBYYMDKGATTHO-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087423922 805517415 /nfs/dbraw/zinc/51/74/15/805517415.db2.gz ALBYYMDKGATTHO-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087423922 805517422 /nfs/dbraw/zinc/51/74/22/805517422.db2.gz ALBYYMDKGATTHO-AQNXPRMDSA-N 2 2 355.482 1.315 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2C#N)O1 ZINC001027966599 807130674 /nfs/dbraw/zinc/13/06/74/807130674.db2.gz RQKYTXCGEGYJMF-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2C#N)O1 ZINC001027966599 807130675 /nfs/dbraw/zinc/13/06/75/807130675.db2.gz RQKYTXCGEGYJMF-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)O1 ZINC001027966599 807130678 /nfs/dbraw/zinc/13/06/78/807130678.db2.gz RQKYTXCGEGYJMF-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)O1 ZINC001027966599 807130684 /nfs/dbraw/zinc/13/06/84/807130684.db2.gz RQKYTXCGEGYJMF-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000418765957 809190541 /nfs/dbraw/zinc/19/05/41/809190541.db2.gz KFEYSSSFMOMMLC-LJQANCHMSA-N 2 2 355.486 1.918 20 30 FDEDLP CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261983426 811360812 /nfs/dbraw/zinc/36/08/12/811360812.db2.gz PMWPULLFDMOXTJ-GJZGRUSLSA-N 2 2 356.478 1.469 20 30 FDEDLP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)C1=O ZINC000329158242 824633718 /nfs/dbraw/zinc/63/37/18/824633718.db2.gz DJXPISMNHSDVCI-SFHVURJKSA-N 2 2 367.453 1.872 20 30 FDEDLP CC[NH+]1CCC(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000329623554 825042120 /nfs/dbraw/zinc/04/21/20/825042120.db2.gz HMWCFJBGMFZFAB-UHFFFAOYSA-N 3 2 365.566 1.925 20 30 FDEDLP CNC(=O)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000329737498 825408656 /nfs/dbraw/zinc/40/86/56/825408656.db2.gz MEAJCRCQJSXZRL-UHFFFAOYSA-N 2 2 373.501 1.696 20 30 FDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079055 826130272 /nfs/dbraw/zinc/13/02/72/826130272.db2.gz KODZMVJHQZPTKF-WSTZPKSXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079055 826130273 /nfs/dbraw/zinc/13/02/73/826130273.db2.gz KODZMVJHQZPTKF-WSTZPKSXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079055 826130274 /nfs/dbraw/zinc/13/02/74/826130274.db2.gz KODZMVJHQZPTKF-WSTZPKSXSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079055 826130275 /nfs/dbraw/zinc/13/02/75/826130275.db2.gz KODZMVJHQZPTKF-WSTZPKSXSA-N 2 2 361.530 1.986 20 30 FDEDLP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029920361 831218051 /nfs/dbraw/zinc/21/80/51/831218051.db2.gz VOMOYDVQLXBDSA-HLAWJBBLSA-N 2 2 369.509 1.832 20 30 FDEDLP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029920361 831218060 /nfs/dbraw/zinc/21/80/60/831218060.db2.gz VOMOYDVQLXBDSA-HLAWJBBLSA-N 2 2 369.509 1.832 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029920361 831218069 /nfs/dbraw/zinc/21/80/69/831218069.db2.gz VOMOYDVQLXBDSA-HLAWJBBLSA-N 2 2 369.509 1.832 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029920361 831218078 /nfs/dbraw/zinc/21/80/78/831218078.db2.gz VOMOYDVQLXBDSA-HLAWJBBLSA-N 2 2 369.509 1.832 20 30 FDEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000263101182 832393320 /nfs/dbraw/zinc/39/33/20/832393320.db2.gz JYFRHQQYUJVWHZ-QGZVFWFLSA-N 2 2 374.485 1.296 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105646839 842399974 /nfs/dbraw/zinc/39/99/74/842399974.db2.gz MHOUVHZMUDHUQK-HNBVOPMISA-N 2 2 360.502 1.815 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105654994 842481059 /nfs/dbraw/zinc/48/10/59/842481059.db2.gz COARBBRUWZZIEW-JYBIWHBTSA-N 2 2 360.502 1.885 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673004 845263648 /nfs/dbraw/zinc/26/36/48/845263648.db2.gz GDIJHBIFQHXAAC-JYBIWHBTSA-N 2 2 360.502 1.815 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673002 845263981 /nfs/dbraw/zinc/26/39/81/845263981.db2.gz GDIJHBIFQHXAAC-HNBVOPMISA-N 2 2 360.502 1.815 20 30 FDEDLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083521642 846092042 /nfs/dbraw/zinc/09/20/42/846092042.db2.gz BNNRNXHXMFJTQQ-NJYVYQBISA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083521642 846092048 /nfs/dbraw/zinc/09/20/48/846092048.db2.gz BNNRNXHXMFJTQQ-NJYVYQBISA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083521642 846092052 /nfs/dbraw/zinc/09/20/52/846092052.db2.gz BNNRNXHXMFJTQQ-NJYVYQBISA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083521642 846092057 /nfs/dbraw/zinc/09/20/57/846092057.db2.gz BNNRNXHXMFJTQQ-NJYVYQBISA-N 2 2 369.509 1.177 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1O ZINC001077159115 849955307 /nfs/dbraw/zinc/95/53/07/849955307.db2.gz PFZNNEVMDSLGMX-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1O ZINC001077159115 849955312 /nfs/dbraw/zinc/95/53/12/849955312.db2.gz PFZNNEVMDSLGMX-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2C)C[C@H]1O ZINC001077159115 849955316 /nfs/dbraw/zinc/95/53/16/849955316.db2.gz PFZNNEVMDSLGMX-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2C)C[C@H]1O ZINC001077159115 849955318 /nfs/dbraw/zinc/95/53/18/849955318.db2.gz PFZNNEVMDSLGMX-HSALFYBXSA-N 2 2 355.482 1.062 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001089052918 866323910 /nfs/dbraw/zinc/32/39/10/866323910.db2.gz DIIUPZOOKSYWAV-YZGWKJHDSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001089052918 866323922 /nfs/dbraw/zinc/32/39/22/866323922.db2.gz DIIUPZOOKSYWAV-YZGWKJHDSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001089052918 866323935 /nfs/dbraw/zinc/32/39/35/866323935.db2.gz DIIUPZOOKSYWAV-YZGWKJHDSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001089052918 866323948 /nfs/dbraw/zinc/32/39/48/866323948.db2.gz DIIUPZOOKSYWAV-YZGWKJHDSA-N 2 2 355.482 1.338 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001089053063 866325469 /nfs/dbraw/zinc/32/54/69/866325469.db2.gz JBSDUXPHFAGVFL-XOKHGSTOSA-N 2 2 362.499 1.419 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001089053063 866325489 /nfs/dbraw/zinc/32/54/89/866325489.db2.gz JBSDUXPHFAGVFL-XOKHGSTOSA-N 2 2 362.499 1.419 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001089053063 866325508 /nfs/dbraw/zinc/32/55/08/866325508.db2.gz JBSDUXPHFAGVFL-XOKHGSTOSA-N 2 2 362.499 1.419 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001089053063 866325528 /nfs/dbraw/zinc/32/55/28/866325528.db2.gz JBSDUXPHFAGVFL-XOKHGSTOSA-N 2 2 362.499 1.419 20 30 FDEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001005754944 885480051 /nfs/dbraw/zinc/48/00/51/885480051.db2.gz FARJVIRRMUXQQN-MOPGFXCFSA-N 2 2 365.518 1.365 20 30 FDEDLP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998476 896548597 /nfs/dbraw/zinc/54/85/97/896548597.db2.gz SJKLOGLRGDVHDS-ARFHVFGLSA-N 2 2 355.446 1.244 20 30 FDEDLP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998476 896548606 /nfs/dbraw/zinc/54/86/06/896548606.db2.gz SJKLOGLRGDVHDS-ARFHVFGLSA-N 2 2 355.446 1.244 20 30 FDEDLP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998476 896548614 /nfs/dbraw/zinc/54/86/14/896548614.db2.gz SJKLOGLRGDVHDS-ARFHVFGLSA-N 2 2 355.446 1.244 20 30 FDEDLP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998476 896548621 /nfs/dbraw/zinc/54/86/21/896548621.db2.gz SJKLOGLRGDVHDS-ARFHVFGLSA-N 2 2 355.446 1.244 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437062 897941110 /nfs/dbraw/zinc/94/11/10/897941110.db2.gz YVHKXSDIHWTACG-QRVBRYPASA-N 2 2 358.486 1.460 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437062 897941120 /nfs/dbraw/zinc/94/11/20/897941120.db2.gz YVHKXSDIHWTACG-QRVBRYPASA-N 2 2 358.486 1.460 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cncc(C)c3)C[C@H]21 ZINC001084417952 914378838 /nfs/dbraw/zinc/37/88/38/914378838.db2.gz NUIVHMZGBAFBNS-HSALFYBXSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cncc(C)c3)C[C@H]21 ZINC001084417952 914378850 /nfs/dbraw/zinc/37/88/50/914378850.db2.gz NUIVHMZGBAFBNS-HSALFYBXSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cncc(C)c3)C[C@H]21 ZINC001084417952 914378864 /nfs/dbraw/zinc/37/88/64/914378864.db2.gz NUIVHMZGBAFBNS-HSALFYBXSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cncc(C)c3)C[C@H]21 ZINC001084417952 914378871 /nfs/dbraw/zinc/37/88/71/914378871.db2.gz NUIVHMZGBAFBNS-HSALFYBXSA-N 2 2 352.482 1.520 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079271510 902333997 /nfs/dbraw/zinc/33/39/97/902333997.db2.gz RZISZUUJGRQVBI-FUHWJXTLSA-N 2 2 356.470 1.223 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1C ZINC001079878077 903600999 /nfs/dbraw/zinc/60/09/99/903600999.db2.gz FFNKNDHXEQZNBG-RSPOEFSDSA-N 2 2 355.482 1.254 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1C ZINC001079878077 903601004 /nfs/dbraw/zinc/60/10/04/903601004.db2.gz FFNKNDHXEQZNBG-RSPOEFSDSA-N 2 2 355.482 1.254 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@H]1C ZINC001079878077 903601007 /nfs/dbraw/zinc/60/10/07/903601007.db2.gz FFNKNDHXEQZNBG-RSPOEFSDSA-N 2 2 355.482 1.254 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@H]1C ZINC001079878077 903601009 /nfs/dbraw/zinc/60/10/09/903601009.db2.gz FFNKNDHXEQZNBG-RSPOEFSDSA-N 2 2 355.482 1.254 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951546 903753077 /nfs/dbraw/zinc/75/30/77/903753077.db2.gz SQMDQRGTUPKYFQ-BQGCOEIASA-N 2 2 362.499 1.275 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951546 903753085 /nfs/dbraw/zinc/75/30/85/903753085.db2.gz SQMDQRGTUPKYFQ-BQGCOEIASA-N 2 2 362.499 1.275 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951546 903753102 /nfs/dbraw/zinc/75/31/02/903753102.db2.gz SQMDQRGTUPKYFQ-BQGCOEIASA-N 2 2 362.499 1.275 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951546 903753109 /nfs/dbraw/zinc/75/31/09/903753109.db2.gz SQMDQRGTUPKYFQ-BQGCOEIASA-N 2 2 362.499 1.275 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001107552680 905561470 /nfs/dbraw/zinc/56/14/70/905561470.db2.gz RGJYARVDMLNMHT-VGUOSERISA-N 2 2 370.497 1.534 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001107552680 905561486 /nfs/dbraw/zinc/56/14/86/905561486.db2.gz RGJYARVDMLNMHT-VGUOSERISA-N 2 2 370.497 1.534 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)C1=O ZINC001107588951 905798679 /nfs/dbraw/zinc/79/86/79/905798679.db2.gz WCABYMHXXXUWBK-JXXFODFXSA-N 2 2 371.485 1.100 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)C1=O ZINC001107588951 905798691 /nfs/dbraw/zinc/79/86/91/905798691.db2.gz WCABYMHXXXUWBK-JXXFODFXSA-N 2 2 371.485 1.100 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1c1ccccc1 ZINC001081151222 907263846 /nfs/dbraw/zinc/26/38/46/907263846.db2.gz AWBVPPYJGPVANP-HBMCJLEFSA-N 2 2 369.509 1.705 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1c1ccccc1 ZINC001081151222 907263862 /nfs/dbraw/zinc/26/38/62/907263862.db2.gz AWBVPPYJGPVANP-HBMCJLEFSA-N 2 2 369.509 1.705 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC001082568852 908713558 /nfs/dbraw/zinc/71/35/58/908713558.db2.gz VQKLUYPLMFHZMX-OLMNPRSZSA-N 2 2 356.470 1.586 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC001082568852 908713568 /nfs/dbraw/zinc/71/35/68/908713568.db2.gz VQKLUYPLMFHZMX-OLMNPRSZSA-N 2 2 356.470 1.586 20 30 FDEDLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084662508 915921441 /nfs/dbraw/zinc/92/14/41/915921441.db2.gz MSKQNOMHATXJSV-IIDMSEBBSA-N 2 2 358.511 1.994 20 30 FDEDLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084662508 915921443 /nfs/dbraw/zinc/92/14/43/915921443.db2.gz MSKQNOMHATXJSV-IIDMSEBBSA-N 2 2 358.511 1.994 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084662508 915921447 /nfs/dbraw/zinc/92/14/47/915921447.db2.gz MSKQNOMHATXJSV-IIDMSEBBSA-N 2 2 358.511 1.994 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084662508 915921449 /nfs/dbraw/zinc/92/14/49/915921449.db2.gz MSKQNOMHATXJSV-IIDMSEBBSA-N 2 2 358.511 1.994 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911310 918248403 /nfs/dbraw/zinc/24/84/03/918248403.db2.gz WZDZQXZOLAIWMP-UXPWSPDFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911310 918248420 /nfs/dbraw/zinc/24/84/20/918248420.db2.gz WZDZQXZOLAIWMP-UXPWSPDFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911310 918248436 /nfs/dbraw/zinc/24/84/36/918248436.db2.gz WZDZQXZOLAIWMP-UXPWSPDFSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911310 918248452 /nfs/dbraw/zinc/24/84/52/918248452.db2.gz WZDZQXZOLAIWMP-UXPWSPDFSA-N 2 2 368.481 1.312 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085015015 919667079 /nfs/dbraw/zinc/66/70/79/919667079.db2.gz QZCBERRGXRMYEV-YZGWKJHDSA-N 2 2 359.514 1.576 20 30 FDEDLP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085015015 919667088 /nfs/dbraw/zinc/66/70/88/919667088.db2.gz QZCBERRGXRMYEV-YZGWKJHDSA-N 2 2 359.514 1.576 20 30 FDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085015015 919667095 /nfs/dbraw/zinc/66/70/95/919667095.db2.gz QZCBERRGXRMYEV-YZGWKJHDSA-N 2 2 359.514 1.576 20 30 FDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085015015 919667106 /nfs/dbraw/zinc/66/71/06/919667106.db2.gz QZCBERRGXRMYEV-YZGWKJHDSA-N 2 2 359.514 1.576 20 30 FDEDLP CC(C)(C)OC(=O)[C@H](C#N)c1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072750 928262811 /nfs/dbraw/zinc/26/28/11/928262811.db2.gz WHCPMJCUNNINRC-TZMCWYRMSA-N 2 2 357.414 1.078 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)s1 ZINC001109847888 930587661 /nfs/dbraw/zinc/58/76/61/930587661.db2.gz MHNHXYHHBYPIIT-JLSDUUJJSA-N 2 2 374.510 1.564 20 30 FDEDLP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)s1 ZINC001109847888 930587669 /nfs/dbraw/zinc/58/76/69/930587669.db2.gz MHNHXYHHBYPIIT-JLSDUUJJSA-N 2 2 374.510 1.564 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1n1ccnn1 ZINC001129910504 938550315 /nfs/dbraw/zinc/55/03/15/938550315.db2.gz WIUPGHYEMKYZDM-CVEARBPZSA-N 2 2 357.462 1.136 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130109935 938688676 /nfs/dbraw/zinc/68/86/76/938688676.db2.gz LUWKGKAAMZWJEJ-NXHRZFHOSA-N 2 2 371.489 1.341 20 30 FDEDLP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131092048 940495936 /nfs/dbraw/zinc/49/59/36/940495936.db2.gz YOIKSKOAPUMDPL-IAGOWNOFSA-N 2 2 360.506 1.340 20 30 FDEDLP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131092048 940495937 /nfs/dbraw/zinc/49/59/37/940495937.db2.gz YOIKSKOAPUMDPL-IAGOWNOFSA-N 2 2 360.506 1.340 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131108248 940502709 /nfs/dbraw/zinc/50/27/09/940502709.db2.gz NRYHGDGVBRBNAY-CGTJXYLNSA-N 2 2 370.501 1.635 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001131522333 940705552 /nfs/dbraw/zinc/70/55/52/940705552.db2.gz CNWSUHCDTVRCFV-SXLOBPIMSA-N 2 2 370.497 1.455 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001131522375 940705617 /nfs/dbraw/zinc/70/56/17/940705617.db2.gz DSXLZGWZSXSMCS-NSHGMRRFSA-N 2 2 370.497 1.455 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000810429915 940989761 /nfs/dbraw/zinc/98/97/61/940989761.db2.gz UKDXPTXEBVUWPR-GOSISDBHSA-N 2 2 373.501 1.087 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000810429915 940989763 /nfs/dbraw/zinc/98/97/63/940989763.db2.gz UKDXPTXEBVUWPR-GOSISDBHSA-N 2 2 373.501 1.087 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)oc3C)C[C@@]2(C)C1 ZINC001091749636 952789047 /nfs/dbraw/zinc/78/90/47/952789047.db2.gz OFJVXOTZSCEBCQ-LMNJBCLMSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nc(C)oc3C)C[C@@]2(C)C1 ZINC001091749636 952789049 /nfs/dbraw/zinc/78/90/49/952789049.db2.gz OFJVXOTZSCEBCQ-LMNJBCLMSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nc(C)oc3C)C[C@@]2(C)C1 ZINC001091749636 952789052 /nfs/dbraw/zinc/78/90/52/952789052.db2.gz OFJVXOTZSCEBCQ-LMNJBCLMSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nc(C)oc3C)C[C@@]2(C)C1 ZINC001091749636 952789054 /nfs/dbraw/zinc/78/90/54/952789054.db2.gz OFJVXOTZSCEBCQ-LMNJBCLMSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nccn3CC)C[C@@]2(C)C1 ZINC001091748118 952793123 /nfs/dbraw/zinc/79/31/23/952793123.db2.gz ANRUAEPRXNSCTG-LQWHRVPQSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nccn3CC)C[C@@]2(C)C1 ZINC001091748118 952793124 /nfs/dbraw/zinc/79/31/24/952793124.db2.gz ANRUAEPRXNSCTG-LQWHRVPQSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nccn3CC)C[C@@]2(C)C1 ZINC001091748118 952793126 /nfs/dbraw/zinc/79/31/26/952793126.db2.gz ANRUAEPRXNSCTG-LQWHRVPQSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nccn3CC)C[C@@]2(C)C1 ZINC001091748118 952793129 /nfs/dbraw/zinc/79/31/29/952793129.db2.gz ANRUAEPRXNSCTG-LQWHRVPQSA-N 2 2 369.513 1.281 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC001092052560 954146255 /nfs/dbraw/zinc/14/62/55/954146255.db2.gz KYFDXUCBQPSYTK-UZLBHIALSA-N 2 2 367.428 1.943 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001092052560 954146261 /nfs/dbraw/zinc/14/62/61/954146261.db2.gz KYFDXUCBQPSYTK-UZLBHIALSA-N 2 2 367.428 1.943 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nccn2CC)C[C@H]1C ZINC001092688858 956194823 /nfs/dbraw/zinc/19/48/23/956194823.db2.gz DEIGPDXTECRLPY-KURKYZTESA-N 2 2 357.502 1.185 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nccn2CC)C[C@H]1C ZINC001092688858 956194827 /nfs/dbraw/zinc/19/48/27/956194827.db2.gz DEIGPDXTECRLPY-KURKYZTESA-N 2 2 357.502 1.185 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nccn2CC)C[C@H]1C ZINC001092688858 956194828 /nfs/dbraw/zinc/19/48/28/956194828.db2.gz DEIGPDXTECRLPY-KURKYZTESA-N 2 2 357.502 1.185 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nccn2CC)C[C@H]1C ZINC001092688858 956194831 /nfs/dbraw/zinc/19/48/31/956194831.db2.gz DEIGPDXTECRLPY-KURKYZTESA-N 2 2 357.502 1.185 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093447674 958101431 /nfs/dbraw/zinc/10/14/31/958101431.db2.gz YLRYAWKEJLDSOP-XNFNUYLZSA-N 2 2 360.502 1.885 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C(C)C)C[C@H]1O ZINC001093460023 958186073 /nfs/dbraw/zinc/18/60/73/958186073.db2.gz XKGRXMVUFYFZRM-STQYRHOTSA-N 2 2 366.465 1.547 20 30 FDEDLP C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093487372 958310722 /nfs/dbraw/zinc/31/07/22/958310722.db2.gz COHIZCCRCNABSM-FCGDIQPGSA-N 2 2 367.497 1.286 20 30 FDEDLP C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093487372 958310737 /nfs/dbraw/zinc/31/07/37/958310737.db2.gz COHIZCCRCNABSM-FCGDIQPGSA-N 2 2 367.497 1.286 20 30 FDEDLP C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093487372 958310749 /nfs/dbraw/zinc/31/07/49/958310749.db2.gz COHIZCCRCNABSM-FCGDIQPGSA-N 2 2 367.497 1.286 20 30 FDEDLP C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093487372 958310761 /nfs/dbraw/zinc/31/07/61/958310761.db2.gz COHIZCCRCNABSM-FCGDIQPGSA-N 2 2 367.497 1.286 20 30 FDEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000775789928 972480162 /nfs/dbraw/zinc/48/01/62/972480162.db2.gz FJLPSHKNRQDGQP-HOJAQTOUSA-N 2 2 355.482 1.662 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752661 964430461 /nfs/dbraw/zinc/43/04/61/964430461.db2.gz XMBQGSKNHVTQCC-BZUAXINKSA-N 2 2 361.490 1.470 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752661 964430466 /nfs/dbraw/zinc/43/04/66/964430466.db2.gz XMBQGSKNHVTQCC-BZUAXINKSA-N 2 2 361.490 1.470 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178932205 964545287 /nfs/dbraw/zinc/54/52/87/964545287.db2.gz GBNGYCBDMMDHLZ-HZMVEIRTSA-N 2 2 371.485 1.293 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001178932205 964545295 /nfs/dbraw/zinc/54/52/95/964545295.db2.gz GBNGYCBDMMDHLZ-HZMVEIRTSA-N 2 2 371.485 1.293 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001187925479 965908674 /nfs/dbraw/zinc/90/86/74/965908674.db2.gz OMYSZHSQNVFOLG-ZWKOTPCHSA-N 2 2 354.454 1.992 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001187925479 965908680 /nfs/dbraw/zinc/90/86/80/965908680.db2.gz OMYSZHSQNVFOLG-ZWKOTPCHSA-N 2 2 354.454 1.992 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC#Cc3ccccc3)C2)O1 ZINC001190901056 968133659 /nfs/dbraw/zinc/13/36/59/968133659.db2.gz UAGQTOJSUZVNAW-MISYRCLQSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC#Cc3ccccc3)C2)O1 ZINC001190901056 968133667 /nfs/dbraw/zinc/13/36/67/968133667.db2.gz UAGQTOJSUZVNAW-MISYRCLQSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC#Cc3ccccc3)C2)O1 ZINC001190901056 968133680 /nfs/dbraw/zinc/13/36/80/968133680.db2.gz UAGQTOJSUZVNAW-MISYRCLQSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC#Cc3ccccc3)C2)O1 ZINC001190901056 968133691 /nfs/dbraw/zinc/13/36/91/968133691.db2.gz UAGQTOJSUZVNAW-MISYRCLQSA-N 2 2 355.482 1.290 20 30 FDEDLP CCOC(=O)[C@@H](C#N)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198035722 972714184 /nfs/dbraw/zinc/71/41/84/972714184.db2.gz BFMULQNJANIUTK-QGZVFWFLSA-N 2 2 360.458 1.255 20 30 FDEDLP CCOC(=O)[C@@H](C#N)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198035722 972714196 /nfs/dbraw/zinc/71/41/96/972714196.db2.gz BFMULQNJANIUTK-QGZVFWFLSA-N 2 2 360.458 1.255 20 30 FDEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884236342 983013951 /nfs/dbraw/zinc/01/39/51/983013951.db2.gz SCFLJUFVSSRMLE-FTSJTYPLSA-N 2 2 353.470 1.426 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000884326247 983086966 /nfs/dbraw/zinc/08/69/66/983086966.db2.gz OAUHBOXKDQYZLG-SFHVURJKSA-N 2 2 374.485 1.602 20 30 FDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)/C=C\C[NH+]3CCOCC3)CC2)c1 ZINC000869164470 984920398 /nfs/dbraw/zinc/92/03/98/984920398.db2.gz WIQYNFARCJYHTJ-DJWKRKHSSA-N 2 2 368.481 1.527 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718762 988714888 /nfs/dbraw/zinc/71/48/88/988714888.db2.gz BAEAHLPPZXGKNF-JXFKEZNVSA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718762 988714889 /nfs/dbraw/zinc/71/48/89/988714889.db2.gz BAEAHLPPZXGKNF-JXFKEZNVSA-N 2 2 369.513 1.986 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000364142773 989501534 /nfs/dbraw/zinc/50/15/34/989501534.db2.gz LTOXNSJNFZNZCI-GOSISDBHSA-N 2 2 352.482 1.875 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000364142773 989501540 /nfs/dbraw/zinc/50/15/40/989501540.db2.gz LTOXNSJNFZNZCI-GOSISDBHSA-N 2 2 352.482 1.875 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1 ZINC000371344399 990370101 /nfs/dbraw/zinc/37/01/01/990370101.db2.gz LAFJOZIVRQRPMY-HXUWFJFHSA-N 2 2 361.534 1.285 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374535990 992881154 /nfs/dbraw/zinc/88/11/54/992881154.db2.gz IWABLOYYFRHRGC-KRWDZBQOSA-N 2 2 358.486 1.889 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374535990 992881166 /nfs/dbraw/zinc/88/11/66/992881166.db2.gz IWABLOYYFRHRGC-KRWDZBQOSA-N 2 2 358.486 1.889 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000876895701 992955830 /nfs/dbraw/zinc/95/58/30/992955830.db2.gz IVSIIWFTUDMXIL-KRWDZBQOSA-N 2 2 364.877 1.759 20 30 FDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000264147157 997414748 /nfs/dbraw/zinc/41/47/48/997414748.db2.gz YBLOQURXUSJLDE-KRWDZBQOSA-N 2 2 361.490 1.815 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000890368975 998916798 /nfs/dbraw/zinc/91/67/98/998916798.db2.gz PFQQTKRJFBUJFS-QGZVFWFLSA-N 2 2 350.507 1.084 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000890368975 998916802 /nfs/dbraw/zinc/91/68/02/998916802.db2.gz PFQQTKRJFBUJFS-QGZVFWFLSA-N 2 2 350.507 1.084 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000286466383 999944688 /nfs/dbraw/zinc/94/46/88/999944688.db2.gz IJLFBFYNIILSQY-UHFFFAOYSA-N 2 2 374.485 1.432 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1cccc(C#N)c1 ZINC000466819315 999978600 /nfs/dbraw/zinc/97/86/00/999978600.db2.gz LXUKJOIHJRNFKH-UHFFFAOYSA-N 2 2 357.502 1.768 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1cccc(C#N)c1 ZINC000466819315 999978601 /nfs/dbraw/zinc/97/86/01/999978601.db2.gz LXUKJOIHJRNFKH-UHFFFAOYSA-N 2 2 357.502 1.768 20 30 FDEDLP C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1=O ZINC000639132159 1007043740 /nfs/dbraw/zinc/04/37/40/1007043740.db2.gz GHLLZGPYMQXKKW-FQEVSTJZSA-N 2 2 373.497 1.616 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1=O ZINC000639132159 1007043746 /nfs/dbraw/zinc/04/37/46/1007043746.db2.gz GHLLZGPYMQXKKW-FQEVSTJZSA-N 2 2 373.497 1.616 20 30 FDEDLP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000530768406 540038984 /nfs/dbraw/zinc/03/89/84/540038984.db2.gz BMRFIYWKVMLVQB-LJQANCHMSA-N 2 2 355.486 1.727 20 30 FDEDLP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000530768406 540038988 /nfs/dbraw/zinc/03/89/88/540038988.db2.gz BMRFIYWKVMLVQB-LJQANCHMSA-N 2 2 355.486 1.727 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131169057 173192200 /nfs/dbraw/zinc/19/22/00/173192200.db2.gz CXFLEBWTENCCNJ-QGZVFWFLSA-N 2 2 372.469 1.360 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131169057 173192202 /nfs/dbraw/zinc/19/22/02/173192202.db2.gz CXFLEBWTENCCNJ-QGZVFWFLSA-N 2 2 372.469 1.360 20 30 FDEDLP CS(=O)(=O)NCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181431561 174224865 /nfs/dbraw/zinc/22/48/65/174224865.db2.gz SXCHMIACJPKGLD-UHFFFAOYSA-N 2 2 350.488 1.052 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000557730490 544337355 /nfs/dbraw/zinc/33/73/55/544337355.db2.gz FXIHZXMCEVBXDZ-MRXNPFEDSA-N 2 2 373.501 1.342 20 30 FDEDLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000367574172 260063106 /nfs/dbraw/zinc/06/31/06/260063106.db2.gz HBESRBDGGPROAY-GHTZIAJQSA-N 2 2 371.529 1.632 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000050025751 522877980 /nfs/dbraw/zinc/87/79/80/522877980.db2.gz VSESCOPXDCDNLA-HXUWFJFHSA-N 2 2 355.482 1.349 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000050025751 522877989 /nfs/dbraw/zinc/87/79/89/522877989.db2.gz VSESCOPXDCDNLA-HXUWFJFHSA-N 2 2 355.482 1.349 20 30 FDEDLP CC[C@H](c1nnc(S[C@@H](C)C#N)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000078249392 523541301 /nfs/dbraw/zinc/54/13/01/523541301.db2.gz CNLNCKOINPWWOB-UONOGXRCSA-N 2 2 352.508 1.627 20 30 FDEDLP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000079491199 523756291 /nfs/dbraw/zinc/75/62/91/523756291.db2.gz CGSSCYASMCDJKR-UHFFFAOYSA-N 2 2 373.501 1.354 20 30 FDEDLP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000079491199 523756296 /nfs/dbraw/zinc/75/62/96/523756296.db2.gz CGSSCYASMCDJKR-UHFFFAOYSA-N 2 2 373.501 1.354 20 30 FDEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821065 525001213 /nfs/dbraw/zinc/00/12/13/525001213.db2.gz YQNUGGKVYPOMTO-VQIMIIECSA-N 2 2 356.470 1.716 20 30 FDEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821065 525001220 /nfs/dbraw/zinc/00/12/20/525001220.db2.gz YQNUGGKVYPOMTO-VQIMIIECSA-N 2 2 356.470 1.716 20 30 FDEDLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000115739236 525055776 /nfs/dbraw/zinc/05/57/76/525055776.db2.gz DOEJSPGWKOZOPD-LJQANCHMSA-N 2 2 361.486 1.271 20 30 FDEDLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000115739236 525055786 /nfs/dbraw/zinc/05/57/86/525055786.db2.gz DOEJSPGWKOZOPD-LJQANCHMSA-N 2 2 361.486 1.271 20 30 FDEDLP COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CCOCC2(C)C)cc1OC ZINC000170914930 525767248 /nfs/dbraw/zinc/76/72/48/525767248.db2.gz NPEHRTLJUCPJBA-UHFFFAOYSA-N 2 2 364.490 1.261 20 30 FDEDLP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CCOCC2(C)C)cc1OC ZINC000170914930 525767260 /nfs/dbraw/zinc/76/72/60/525767260.db2.gz NPEHRTLJUCPJBA-UHFFFAOYSA-N 2 2 364.490 1.261 20 30 FDEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CN1CC[NH+](C)CC1 ZINC000181689376 525891534 /nfs/dbraw/zinc/89/15/34/525891534.db2.gz OBAMGOSQJSJYRW-IBGZPJMESA-N 3 2 369.557 1.996 20 30 FDEDLP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246426832 536951879 /nfs/dbraw/zinc/95/18/79/536951879.db2.gz CXLQSRSKHUNEMB-FHLIZLRMSA-N 2 2 363.421 1.970 20 30 FDEDLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246426832 536951881 /nfs/dbraw/zinc/95/18/81/536951881.db2.gz CXLQSRSKHUNEMB-FHLIZLRMSA-N 2 2 363.421 1.970 20 30 FDEDLP C#CCOc1ccccc1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000265204294 537152283 /nfs/dbraw/zinc/15/22/83/537152283.db2.gz UKUZEMDXRUWEQW-UHFFFAOYSA-N 2 2 372.513 1.866 20 30 FDEDLP C#CCOc1ccccc1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000265204294 537152284 /nfs/dbraw/zinc/15/22/84/537152284.db2.gz UKUZEMDXRUWEQW-UHFFFAOYSA-N 2 2 372.513 1.866 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249553836 537238427 /nfs/dbraw/zinc/23/84/27/537238427.db2.gz IZRFXFUOGKMNEI-PXNSSMCTSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249553836 537238429 /nfs/dbraw/zinc/23/84/29/537238429.db2.gz IZRFXFUOGKMNEI-PXNSSMCTSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249553836 537238430 /nfs/dbraw/zinc/23/84/30/537238430.db2.gz IZRFXFUOGKMNEI-PXNSSMCTSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249553836 537238431 /nfs/dbraw/zinc/23/84/31/537238431.db2.gz IZRFXFUOGKMNEI-PXNSSMCTSA-N 2 2 358.486 1.316 20 30 FDEDLP CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC1 ZINC000329914378 537645124 /nfs/dbraw/zinc/64/51/24/537645124.db2.gz PCQHYQLADWMJHU-RDJZCZTQSA-N 2 2 366.485 1.320 20 30 FDEDLP O=C(NCC[NH+]1CCOCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330341855 537653995 /nfs/dbraw/zinc/65/39/95/537653995.db2.gz ZUSOIFYXFPBWAS-UHFFFAOYSA-N 2 2 361.490 1.645 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1sccc1C#N ZINC000294564030 537705938 /nfs/dbraw/zinc/70/59/38/537705938.db2.gz BNSKNRMTRYSKNP-UHFFFAOYSA-N 2 2 363.487 1.043 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1sccc1C#N ZINC000294564030 537705939 /nfs/dbraw/zinc/70/59/39/537705939.db2.gz BNSKNRMTRYSKNP-UHFFFAOYSA-N 2 2 363.487 1.043 20 30 FDEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)CC1 ZINC000371343192 537820121 /nfs/dbraw/zinc/82/01/21/537820121.db2.gz FTCJPNRECFWDED-HXUWFJFHSA-N 2 2 363.550 1.531 20 30 FDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000442862989 538381218 /nfs/dbraw/zinc/38/12/18/538381218.db2.gz WKJUNHNBJNCTTM-BRWVUGGUSA-N 2 2 356.474 1.564 20 30 FDEDLP CN(CCC#N)C[C@H](O)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000566112693 547608819 /nfs/dbraw/zinc/60/88/19/547608819.db2.gz QMUFZJQWDVKGSI-GOSISDBHSA-N 2 2 352.523 1.065 20 30 FDEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCSCc2ccccc2C#N)C[C@H](C)O1 ZINC000571396477 549628876 /nfs/dbraw/zinc/62/88/76/549628876.db2.gz FQCLLBLZWXSJGJ-FCEWJHQRSA-N 2 2 363.527 1.851 20 30 FDEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCSCc2ccccc2C#N)C[C@H](C)O1 ZINC000571396477 549628879 /nfs/dbraw/zinc/62/88/79/549628879.db2.gz FQCLLBLZWXSJGJ-FCEWJHQRSA-N 2 2 363.527 1.851 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000573073665 550057490 /nfs/dbraw/zinc/05/74/90/550057490.db2.gz NBTVHKBTINOKGD-SFHVURJKSA-N 2 2 355.486 1.775 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CNc3ccc(C#N)cc3)CC2)CC1 ZINC000591539553 551877033 /nfs/dbraw/zinc/87/70/33/551877033.db2.gz AVDJVZATABYNKY-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CNc3ccc(C#N)cc3)CC2)CC1 ZINC000591539553 551877034 /nfs/dbraw/zinc/87/70/34/551877034.db2.gz AVDJVZATABYNKY-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](Cc2cc(C[N@H+]3CC[C@](O)(CC#N)C3)ccc2F)C1 ZINC000592154515 551951180 /nfs/dbraw/zinc/95/11/80/551951180.db2.gz SDRPRZVVCRYGBB-UXHICEINSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@]1(O)CC[NH+](Cc2cc(C[N@@H+]3CC[C@](O)(CC#N)C3)ccc2F)C1 ZINC000592154515 551951182 /nfs/dbraw/zinc/95/11/82/551951182.db2.gz SDRPRZVVCRYGBB-UXHICEINSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@]1(O)CC[N@@H+](Cc2cc(C[NH+]3CC[C@](O)(CC#N)C3)ccc2F)C1 ZINC000592154515 551951184 /nfs/dbraw/zinc/95/11/84/551951184.db2.gz SDRPRZVVCRYGBB-UXHICEINSA-N 2 2 372.444 1.527 20 30 FDEDLP N#CC[C@]1(O)CC[N@H+](Cc2cc(C[NH+]3CC[C@](O)(CC#N)C3)ccc2F)C1 ZINC000592154515 551951185 /nfs/dbraw/zinc/95/11/85/551951185.db2.gz SDRPRZVVCRYGBB-UXHICEINSA-N 2 2 372.444 1.527 20 30 FDEDLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000592957595 552048606 /nfs/dbraw/zinc/04/86/06/552048606.db2.gz PQFRFXFLENDSCR-OAHLLOKOSA-N 2 2 373.457 1.042 20 30 FDEDLP Cc1nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc(N(C)C)[nH+]1 ZINC000593515977 552121159 /nfs/dbraw/zinc/12/11/59/552121159.db2.gz VJDVCJGMULKEBR-UHFFFAOYSA-N 2 2 351.458 2.194 20 30 FDEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000593986836 552234901 /nfs/dbraw/zinc/23/49/01/552234901.db2.gz IGMMUGHNDUXOMZ-INIZCTEOSA-N 2 2 365.449 1.480 20 30 FDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000593986836 552234904 /nfs/dbraw/zinc/23/49/04/552234904.db2.gz IGMMUGHNDUXOMZ-INIZCTEOSA-N 2 2 365.449 1.480 20 30 FDEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000594502752 552326605 /nfs/dbraw/zinc/32/66/05/552326605.db2.gz QPZQZLDHBHGESP-HXUWFJFHSA-N 2 2 356.514 1.984 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904190 552631138 /nfs/dbraw/zinc/63/11/38/552631138.db2.gz ACZJMOKWQFGQPI-SJORKVTESA-N 2 2 350.507 1.760 20 30 FDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904190 552631139 /nfs/dbraw/zinc/63/11/39/552631139.db2.gz ACZJMOKWQFGQPI-SJORKVTESA-N 2 2 350.507 1.760 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000597437945 552789310 /nfs/dbraw/zinc/78/93/10/552789310.db2.gz AXCOUXPWMHWQBY-SFHVURJKSA-N 2 2 353.470 1.528 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598590844 552912363 /nfs/dbraw/zinc/91/23/63/552912363.db2.gz UKLSPZJJVKUYPV-ZWKOTPCHSA-N 2 2 352.523 1.014 20 30 FDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599401209 553046809 /nfs/dbraw/zinc/04/68/09/553046809.db2.gz OFJOFDPEDSMSNI-ZWKOTPCHSA-N 2 2 351.491 1.102 20 30 FDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599401209 553046812 /nfs/dbraw/zinc/04/68/12/553046812.db2.gz OFJOFDPEDSMSNI-ZWKOTPCHSA-N 2 2 351.491 1.102 20 30 FDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)c2cc1C ZINC000602858598 553652589 /nfs/dbraw/zinc/65/25/89/553652589.db2.gz TXACLVYWSJWLRE-FGTMMUONSA-N 2 2 355.486 1.932 20 30 FDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)c2cc1C ZINC000602858598 553652593 /nfs/dbraw/zinc/65/25/93/553652593.db2.gz TXACLVYWSJWLRE-FGTMMUONSA-N 2 2 355.486 1.932 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000611371598 554629316 /nfs/dbraw/zinc/62/93/16/554629316.db2.gz CMOUKDZTDABCCS-ROUUACIJSA-N 2 2 358.490 1.212 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000611371598 554629318 /nfs/dbraw/zinc/62/93/18/554629318.db2.gz CMOUKDZTDABCCS-ROUUACIJSA-N 2 2 358.490 1.212 20 30 FDEDLP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000328658337 676601035 /nfs/dbraw/zinc/60/10/35/676601035.db2.gz QWDLIDHEAKXURF-SJLPKXTDSA-N 2 2 370.563 1.430 20 30 FDEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000328658337 676601037 /nfs/dbraw/zinc/60/10/37/676601037.db2.gz QWDLIDHEAKXURF-SJLPKXTDSA-N 2 2 370.563 1.430 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367031492 677480690 /nfs/dbraw/zinc/48/06/90/677480690.db2.gz VUKIZQGULLAMMN-GBESFXJTSA-N 2 2 350.551 1.757 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367031492 677480692 /nfs/dbraw/zinc/48/06/92/677480692.db2.gz VUKIZQGULLAMMN-GBESFXJTSA-N 2 2 350.551 1.757 20 30 FDEDLP CN(CC(=O)Nc1sccc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372365847 677903495 /nfs/dbraw/zinc/90/34/95/677903495.db2.gz LSEQJUCYDSULGG-MRXNPFEDSA-N 2 2 361.515 1.659 20 30 FDEDLP CN(CC(=O)Nc1sccc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372365847 677903497 /nfs/dbraw/zinc/90/34/97/677903497.db2.gz LSEQJUCYDSULGG-MRXNPFEDSA-N 2 2 361.515 1.659 20 30 FDEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104412680 782803283 /nfs/dbraw/zinc/80/32/83/782803283.db2.gz IDSHOCBBQYDXDE-HZPDHXFCSA-N 2 2 369.469 1.324 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377770801 792760506 /nfs/dbraw/zinc/76/05/06/792760506.db2.gz QHVOXOXMHAUCNJ-ZWKOTPCHSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377770801 792760512 /nfs/dbraw/zinc/76/05/12/792760512.db2.gz QHVOXOXMHAUCNJ-ZWKOTPCHSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377770801 792760516 /nfs/dbraw/zinc/76/05/16/792760516.db2.gz QHVOXOXMHAUCNJ-ZWKOTPCHSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377770801 792760519 /nfs/dbraw/zinc/76/05/19/792760519.db2.gz QHVOXOXMHAUCNJ-ZWKOTPCHSA-N 2 2 356.470 1.452 20 30 FDEDLP C=CC[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000662756025 803069883 /nfs/dbraw/zinc/06/98/83/803069883.db2.gz GXJPPTMUNAXTJY-HXUWFJFHSA-N 2 2 360.477 1.762 20 30 FDEDLP C=CC[C@]1(C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCC[NH2+]1 ZINC000662800471 803328721 /nfs/dbraw/zinc/32/87/21/803328721.db2.gz QOFJZWKJQUQQTE-OAQYLSRUSA-N 2 2 370.497 1.988 20 30 FDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211679996 805516003 /nfs/dbraw/zinc/51/60/03/805516003.db2.gz BRHVIJVCYMFAMS-RBUKOAKNSA-N 2 2 354.454 1.739 20 30 FDEDLP C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261959671 811354211 /nfs/dbraw/zinc/35/42/11/811354211.db2.gz JTDUNXHQHJCGCF-BHYGNILZSA-N 2 2 370.505 1.504 20 30 FDEDLP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087477055 818398029 /nfs/dbraw/zinc/39/80/29/818398029.db2.gz SATRVNVUWJLWMY-PMACEKPBSA-N 2 2 366.465 1.808 20 30 FDEDLP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087477055 818398036 /nfs/dbraw/zinc/39/80/36/818398036.db2.gz SATRVNVUWJLWMY-PMACEKPBSA-N 2 2 366.465 1.808 20 30 FDEDLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328687174 819534656 /nfs/dbraw/zinc/53/46/56/819534656.db2.gz YWMQJWZWXONKSE-SJORKVTESA-N 2 2 361.490 1.404 20 30 FDEDLP [O-]C(=[NH+]C[C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328687174 819534664 /nfs/dbraw/zinc/53/46/64/819534664.db2.gz YWMQJWZWXONKSE-SJORKVTESA-N 2 2 361.490 1.404 20 30 FDEDLP C=C[C@@](C)(CC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000442951257 821336901 /nfs/dbraw/zinc/33/69/01/821336901.db2.gz GVSCKUPYZJASKC-FQEVSTJZSA-N 2 2 364.534 1.286 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)[C@@H]2CC)CC1 ZINC001087839169 822560288 /nfs/dbraw/zinc/56/02/88/822560288.db2.gz OESWRNHLVXWYFO-ZWKOTPCHSA-N 2 2 360.527 1.957 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)[C@@H]2CC)CC1 ZINC001087839169 822560291 /nfs/dbraw/zinc/56/02/91/822560291.db2.gz OESWRNHLVXWYFO-ZWKOTPCHSA-N 2 2 360.527 1.957 20 30 FDEDLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000329329570 824739533 /nfs/dbraw/zinc/73/95/33/824739533.db2.gz YMKPVSHJHDIPCP-PKOBYXMFSA-N 2 2 358.486 1.628 20 30 FDEDLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000329329570 824739536 /nfs/dbraw/zinc/73/95/36/824739536.db2.gz YMKPVSHJHDIPCP-PKOBYXMFSA-N 2 2 358.486 1.628 20 30 FDEDLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329329570 824739545 /nfs/dbraw/zinc/73/95/45/824739545.db2.gz YMKPVSHJHDIPCP-PKOBYXMFSA-N 2 2 358.486 1.628 20 30 FDEDLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329329570 824739555 /nfs/dbraw/zinc/73/95/55/824739555.db2.gz YMKPVSHJHDIPCP-PKOBYXMFSA-N 2 2 358.486 1.628 20 30 FDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079054 826130307 /nfs/dbraw/zinc/13/03/07/826130307.db2.gz KODZMVJHQZPTKF-HBFSDRIKSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088079054 826130308 /nfs/dbraw/zinc/13/03/08/826130308.db2.gz KODZMVJHQZPTKF-HBFSDRIKSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079054 826130309 /nfs/dbraw/zinc/13/03/09/826130309.db2.gz KODZMVJHQZPTKF-HBFSDRIKSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079054 826130310 /nfs/dbraw/zinc/13/03/10/826130310.db2.gz KODZMVJHQZPTKF-HBFSDRIKSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281967230 826360322 /nfs/dbraw/zinc/36/03/22/826360322.db2.gz GPNPDIWUQYRSLW-CABCVRRESA-N 2 2 359.474 1.799 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281967230 826360329 /nfs/dbraw/zinc/36/03/29/826360329.db2.gz GPNPDIWUQYRSLW-CABCVRRESA-N 2 2 359.474 1.799 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000079460301 828955005 /nfs/dbraw/zinc/95/50/05/828955005.db2.gz FPRRJAZZIRCLQE-LJQANCHMSA-N 2 2 367.497 1.870 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000079460301 828955008 /nfs/dbraw/zinc/95/50/08/828955008.db2.gz FPRRJAZZIRCLQE-LJQANCHMSA-N 2 2 367.497 1.870 20 30 FDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001088351836 828982047 /nfs/dbraw/zinc/98/20/47/828982047.db2.gz MVBZGXWZYMXLFE-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399087 829382596 /nfs/dbraw/zinc/38/25/96/829382596.db2.gz JGAPCXABTLIIAT-KRWDZBQOSA-N 2 2 353.466 1.950 20 30 FDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399087 829382609 /nfs/dbraw/zinc/38/26/09/829382609.db2.gz JGAPCXABTLIIAT-KRWDZBQOSA-N 2 2 353.466 1.950 20 30 FDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399087 829382619 /nfs/dbraw/zinc/38/26/19/829382619.db2.gz JGAPCXABTLIIAT-KRWDZBQOSA-N 2 2 353.466 1.950 20 30 FDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399087 829382630 /nfs/dbraw/zinc/38/26/30/829382630.db2.gz JGAPCXABTLIIAT-KRWDZBQOSA-N 2 2 353.466 1.950 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083459902 837436873 /nfs/dbraw/zinc/43/68/73/837436873.db2.gz GJEQJKNLRYVEID-MOPGFXCFSA-N 2 2 370.497 1.484 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083459902 837436880 /nfs/dbraw/zinc/43/68/80/837436880.db2.gz GJEQJKNLRYVEID-MOPGFXCFSA-N 2 2 370.497 1.484 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105622425 842246463 /nfs/dbraw/zinc/24/64/63/842246463.db2.gz AMRRMLMJDYXCRN-YKCBXCCJSA-N 2 2 360.502 1.885 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105622424 842246944 /nfs/dbraw/zinc/24/69/44/842246944.db2.gz AMRRMLMJDYXCRN-YAJHFMINSA-N 2 2 360.502 1.885 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105636708 842267886 /nfs/dbraw/zinc/26/78/86/842267886.db2.gz BUPOVMZRFPFTOU-JYBIWHBTSA-N 2 2 360.502 1.885 20 30 FDEDLP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105636708 842267892 /nfs/dbraw/zinc/26/78/92/842267892.db2.gz BUPOVMZRFPFTOU-JYBIWHBTSA-N 2 2 360.502 1.885 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083524366 846262328 /nfs/dbraw/zinc/26/23/28/846262328.db2.gz REVPWTINEANVJL-NJYVYQBISA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083524366 846262341 /nfs/dbraw/zinc/26/23/41/846262341.db2.gz REVPWTINEANVJL-NJYVYQBISA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083524366 846262354 /nfs/dbraw/zinc/26/23/54/846262354.db2.gz REVPWTINEANVJL-NJYVYQBISA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083524366 846262366 /nfs/dbraw/zinc/26/23/66/846262366.db2.gz REVPWTINEANVJL-NJYVYQBISA-N 2 2 369.509 1.462 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076047033 847151627 /nfs/dbraw/zinc/15/16/27/847151627.db2.gz YSKKYIYYGRGFKD-QFBILLFUSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001076047033 847151635 /nfs/dbraw/zinc/15/16/35/847151635.db2.gz YSKKYIYYGRGFKD-QFBILLFUSA-N 2 2 367.428 1.935 20 30 FDEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077090945 849723622 /nfs/dbraw/zinc/72/36/22/849723622.db2.gz GEKLFZQAWBWCQR-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077090945 849723627 /nfs/dbraw/zinc/72/36/27/849723627.db2.gz GEKLFZQAWBWCQR-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077090945 849723630 /nfs/dbraw/zinc/72/36/30/849723630.db2.gz GEKLFZQAWBWCQR-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077090945 849723635 /nfs/dbraw/zinc/72/36/35/849723635.db2.gz GEKLFZQAWBWCQR-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1O ZINC001077159212 849955611 /nfs/dbraw/zinc/95/56/11/849955611.db2.gz UDFFJJMNCBOVNA-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@H]1O ZINC001077159212 849955616 /nfs/dbraw/zinc/95/56/16/849955616.db2.gz UDFFJJMNCBOVNA-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2cccc(C)c2)C[C@H]1O ZINC001077159212 849955624 /nfs/dbraw/zinc/95/56/24/849955624.db2.gz UDFFJJMNCBOVNA-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2cccc(C)c2)C[C@H]1O ZINC001077159212 849955628 /nfs/dbraw/zinc/95/56/28/849955628.db2.gz UDFFJJMNCBOVNA-QHAWAJNXSA-N 2 2 369.509 1.187 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495877 872518646 /nfs/dbraw/zinc/51/86/46/872518646.db2.gz RRCFCOVDBATMCH-IAOVAPTHSA-N 2 2 350.463 1.520 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495877 872518651 /nfs/dbraw/zinc/51/86/51/872518651.db2.gz RRCFCOVDBATMCH-IAOVAPTHSA-N 2 2 350.463 1.520 20 30 FDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC2(CCOCC2)C1 ZINC001089942764 912703674 /nfs/dbraw/zinc/70/36/74/912703674.db2.gz BMFXMCMPNDIPHX-GVDBMIGSSA-N 2 2 356.470 1.524 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC2(CCOCC2)C1 ZINC001089942764 912703683 /nfs/dbraw/zinc/70/36/83/912703683.db2.gz BMFXMCMPNDIPHX-GVDBMIGSSA-N 2 2 356.470 1.524 20 30 FDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC2(CCOCC2)C1 ZINC001089942764 912703690 /nfs/dbraw/zinc/70/36/90/912703690.db2.gz BMFXMCMPNDIPHX-GVDBMIGSSA-N 2 2 356.470 1.524 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC2(CCOCC2)C1 ZINC001089942764 912703700 /nfs/dbraw/zinc/70/37/00/912703700.db2.gz BMFXMCMPNDIPHX-GVDBMIGSSA-N 2 2 356.470 1.524 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CC#Cc3ccccc3)CC2)O1 ZINC001005576173 884661021 /nfs/dbraw/zinc/66/10/21/884661021.db2.gz SNEIABFUQSYIFS-WIYYLYMNSA-N 2 2 369.509 1.680 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CC#Cc3ccccc3)CC2)O1 ZINC001005576173 884661028 /nfs/dbraw/zinc/66/10/28/884661028.db2.gz SNEIABFUQSYIFS-WIYYLYMNSA-N 2 2 369.509 1.680 20 30 FDEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004264 884994161 /nfs/dbraw/zinc/99/41/61/884994161.db2.gz NUTDAYUQGHOHBS-XHSDSOJGSA-N 2 2 357.462 1.216 20 30 FDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004264 884994164 /nfs/dbraw/zinc/99/41/64/884994164.db2.gz NUTDAYUQGHOHBS-XHSDSOJGSA-N 2 2 357.462 1.216 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122199 885766624 /nfs/dbraw/zinc/76/66/24/885766624.db2.gz GRCJIFRIMWAYIY-ZACQAIPSSA-N 2 2 371.489 1.341 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122199 885766631 /nfs/dbraw/zinc/76/66/31/885766631.db2.gz GRCJIFRIMWAYIY-ZACQAIPSSA-N 2 2 371.489 1.341 20 30 FDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000245947626 889351526 /nfs/dbraw/zinc/35/15/26/889351526.db2.gz BQUASDJXLOBPEX-GBESFXJTSA-N 2 2 363.550 1.341 20 30 FDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000245947626 889351539 /nfs/dbraw/zinc/35/15/39/889351539.db2.gz BQUASDJXLOBPEX-GBESFXJTSA-N 2 2 363.550 1.341 20 30 FDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000245947626 889351547 /nfs/dbraw/zinc/35/15/47/889351547.db2.gz BQUASDJXLOBPEX-GBESFXJTSA-N 2 2 363.550 1.341 20 30 FDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000245947626 889351561 /nfs/dbraw/zinc/35/15/61/889351561.db2.gz BQUASDJXLOBPEX-GBESFXJTSA-N 2 2 363.550 1.341 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543844 889606713 /nfs/dbraw/zinc/60/67/13/889606713.db2.gz ZCUOVQSUVIQIDE-UWVAXJGDSA-N 2 2 358.486 1.456 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543844 889606721 /nfs/dbraw/zinc/60/67/21/889606721.db2.gz ZCUOVQSUVIQIDE-UWVAXJGDSA-N 2 2 358.486 1.456 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3scnc3C)C[C@H]21 ZINC001084417792 914378247 /nfs/dbraw/zinc/37/82/47/914378247.db2.gz FIJBAAXREJRZGL-IXDOHACOSA-N 2 2 358.511 1.582 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3scnc3C)C[C@H]21 ZINC001084417792 914378254 /nfs/dbraw/zinc/37/82/54/914378254.db2.gz FIJBAAXREJRZGL-IXDOHACOSA-N 2 2 358.511 1.582 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3scnc3C)C[C@H]21 ZINC001084417792 914378265 /nfs/dbraw/zinc/37/82/65/914378265.db2.gz FIJBAAXREJRZGL-IXDOHACOSA-N 2 2 358.511 1.582 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3scnc3C)C[C@H]21 ZINC001084417792 914378271 /nfs/dbraw/zinc/37/82/71/914378271.db2.gz FIJBAAXREJRZGL-IXDOHACOSA-N 2 2 358.511 1.582 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248027 902262826 /nfs/dbraw/zinc/26/28/26/902262826.db2.gz CRZLAEICTCDYPI-YTQUADARSA-N 2 2 368.481 1.018 20 30 FDEDLP C=CCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079270197 902327535 /nfs/dbraw/zinc/32/75/35/902327535.db2.gz GVBPDPKSLRISIT-ZWKOTPCHSA-N 2 2 358.486 1.478 20 30 FDEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079275236 902357792 /nfs/dbraw/zinc/35/77/92/902357792.db2.gz KKSITCZWRSNTNW-ZWKOTPCHSA-N 2 2 358.486 1.789 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1C#N ZINC001080783626 906185917 /nfs/dbraw/zinc/18/59/17/906185917.db2.gz YHYLRVZDVJTPEC-RDTXWAMCSA-N 2 2 367.453 1.480 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1C#N ZINC001080783626 906185931 /nfs/dbraw/zinc/18/59/31/906185931.db2.gz YHYLRVZDVJTPEC-RDTXWAMCSA-N 2 2 367.453 1.480 20 30 FDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)C1=O ZINC001082594788 908862176 /nfs/dbraw/zinc/86/21/76/908862176.db2.gz KNSHDDOTTWBVIL-RPVQJOFSSA-N 2 2 367.453 1.400 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001082941130 911015541 /nfs/dbraw/zinc/01/55/41/911015541.db2.gz RKXUDXODDKWQMD-JKIFEVAISA-N 2 2 359.474 1.221 20 30 FDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082957717 911142441 /nfs/dbraw/zinc/14/24/41/911142441.db2.gz BHAAPZCPZKOCEM-CRAIPNDOSA-N 2 2 353.426 1.422 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000730098814 916120422 /nfs/dbraw/zinc/12/04/22/916120422.db2.gz QYSNMFOOXHUEQB-HNNXBMFYSA-N 2 2 356.426 1.192 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000730098814 916120425 /nfs/dbraw/zinc/12/04/25/916120425.db2.gz QYSNMFOOXHUEQB-HNNXBMFYSA-N 2 2 356.426 1.192 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)cn4)C[C@H]32)CC1 ZINC001084851013 917656887 /nfs/dbraw/zinc/65/68/87/917656887.db2.gz JGIVSLYYMRVWDD-YLJYHZDGSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)cn4)C[C@H]32)CC1 ZINC001084851013 917656893 /nfs/dbraw/zinc/65/68/93/917656893.db2.gz JGIVSLYYMRVWDD-YLJYHZDGSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000732174448 919189525 /nfs/dbraw/zinc/18/95/25/919189525.db2.gz BSEQOAAVUGRAAA-SFHVURJKSA-N 2 2 358.486 1.717 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000732174448 919189535 /nfs/dbraw/zinc/18/95/35/919189535.db2.gz BSEQOAAVUGRAAA-SFHVURJKSA-N 2 2 358.486 1.717 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC001085075588 920506273 /nfs/dbraw/zinc/50/62/73/920506273.db2.gz WGNVSPGUCYZPIO-UZLBHIALSA-N 2 2 363.465 1.957 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC001085075588 920506284 /nfs/dbraw/zinc/50/62/84/920506284.db2.gz WGNVSPGUCYZPIO-UZLBHIALSA-N 2 2 363.465 1.957 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001085076111 920559410 /nfs/dbraw/zinc/55/94/10/920559410.db2.gz KRELLZDSFAVFJI-CABCVRRESA-N 2 2 368.319 1.914 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001085076111 920559422 /nfs/dbraw/zinc/55/94/22/920559422.db2.gz KRELLZDSFAVFJI-CABCVRRESA-N 2 2 368.319 1.914 20 30 FDEDLP Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071966 928261503 /nfs/dbraw/zinc/26/15/03/928261503.db2.gz JDXYJIZTZHJWSQ-NDQIBGJRSA-N 2 2 363.487 1.319 20 30 FDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC(=S)NC[C@@H]3CCCO3)cc2)CC1 ZINC000771555931 930738827 /nfs/dbraw/zinc/73/88/27/930738827.db2.gz RDBFFDINVNCDRO-KRWDZBQOSA-N 2 2 361.515 1.415 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571696 931655687 /nfs/dbraw/zinc/65/56/87/931655687.db2.gz JOMCSUZHXBPVLZ-PXNSSMCTSA-N 2 2 358.486 1.221 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902274 938561012 /nfs/dbraw/zinc/56/10/12/938561012.db2.gz BZBWLBKFWMTAAL-KURKYZTESA-N 2 2 369.473 1.127 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130086378 938667638 /nfs/dbraw/zinc/66/76/38/938667638.db2.gz YUQUMMXCRWRVPP-OAGGEKHMSA-N 2 2 371.489 1.675 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1cncn1C ZINC001131015411 940448753 /nfs/dbraw/zinc/44/87/53/940448753.db2.gz WKVKJVWDKXHXGC-IAGOWNOFSA-N 2 2 368.485 1.268 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001086720626 941625202 /nfs/dbraw/zinc/62/52/02/941625202.db2.gz GOCXWKQHOOOUEG-XHSDSOJGSA-N 2 2 359.474 1.104 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001086720626 941625207 /nfs/dbraw/zinc/62/52/07/941625207.db2.gz GOCXWKQHOOOUEG-XHSDSOJGSA-N 2 2 359.474 1.104 20 30 FDEDLP C#C[C@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1 ZINC000817779574 942946485 /nfs/dbraw/zinc/94/64/85/942946485.db2.gz CCSVEFNYALCKEQ-OALUTQOASA-N 2 2 362.518 1.369 20 30 FDEDLP C#C[C@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1 ZINC000817779574 942946486 /nfs/dbraw/zinc/94/64/86/942946486.db2.gz CCSVEFNYALCKEQ-OALUTQOASA-N 2 2 362.518 1.369 20 30 FDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000820809905 944203187 /nfs/dbraw/zinc/20/31/87/944203187.db2.gz KPULXPVBVGFCLQ-AWEZNQCLSA-N 2 2 365.499 1.247 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001090874970 947485543 /nfs/dbraw/zinc/48/55/43/947485543.db2.gz YHPBXTDZERMYFR-FTEYMNFISA-N 2 2 364.449 1.739 20 30 FDEDLP C=CCC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001144068894 948172858 /nfs/dbraw/zinc/17/28/58/948172858.db2.gz WVAUQQUTNXMWOL-UHFFFAOYSA-N 2 2 364.534 1.286 20 30 FDEDLP C=CCC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001144068894 948172865 /nfs/dbraw/zinc/17/28/65/948172865.db2.gz WVAUQQUTNXMWOL-UHFFFAOYSA-N 2 2 364.534 1.286 20 30 FDEDLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H](O)c1cccc(C#N)c1 ZINC000846007440 950325728 /nfs/dbraw/zinc/32/57/28/950325728.db2.gz NIMAZCKCNQYMRO-IBGZPJMESA-N 2 2 366.469 1.265 20 30 FDEDLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H](O)c1cccc(C#N)c1 ZINC000846007440 950325753 /nfs/dbraw/zinc/32/57/53/950325753.db2.gz NIMAZCKCNQYMRO-IBGZPJMESA-N 2 2 366.469 1.265 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C#N)c1Br ZINC001146890591 952248190 /nfs/dbraw/zinc/24/81/90/952248190.db2.gz KSMSXPILVPVSQW-UHFFFAOYSA-N 2 2 367.291 1.934 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C#N)c1Br ZINC001146890591 952248197 /nfs/dbraw/zinc/24/81/97/952248197.db2.gz KSMSXPILVPVSQW-UHFFFAOYSA-N 2 2 367.291 1.934 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1c1cnn(C)c1 ZINC001086978988 952991798 /nfs/dbraw/zinc/99/17/98/952991798.db2.gz CKSPSPPVXGDVDM-ZWKOTPCHSA-N 2 2 364.453 1.760 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cnn(C)c1 ZINC001086989216 953013749 /nfs/dbraw/zinc/01/37/49/953013749.db2.gz OUYGPOOAXBCTQJ-DLBZAZTESA-N 2 2 356.474 1.247 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947062 953812500 /nfs/dbraw/zinc/81/25/00/953812500.db2.gz YECWSMRGKCDNNT-LMNJBCLMSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947062 953812508 /nfs/dbraw/zinc/81/25/08/953812508.db2.gz YECWSMRGKCDNNT-LMNJBCLMSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947062 953812520 /nfs/dbraw/zinc/81/25/20/953812520.db2.gz YECWSMRGKCDNNT-LMNJBCLMSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947062 953812532 /nfs/dbraw/zinc/81/25/32/953812532.db2.gz YECWSMRGKCDNNT-LMNJBCLMSA-N 2 2 359.514 1.433 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cccc4[nH+]ccn43)[C@H]2C(C)C)C[C@H]1O ZINC001093460022 958186363 /nfs/dbraw/zinc/18/63/63/958186363.db2.gz XKGRXMVUFYFZRM-QSRMWPQZSA-N 2 2 366.465 1.547 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093466120 958207515 /nfs/dbraw/zinc/20/75/15/958207515.db2.gz LNQGYVUSCAFMPE-JOCBIADPSA-N 2 2 366.893 1.671 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001093454947 958270335 /nfs/dbraw/zinc/27/03/35/958270335.db2.gz IODCWRUUVONZTR-HNBVOPMISA-N 2 2 360.502 1.815 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001094074511 959700495 /nfs/dbraw/zinc/70/04/95/959700495.db2.gz FBLIZKFJXONZLP-NVXWUHKLSA-N 2 2 367.453 1.739 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001094253887 960196393 /nfs/dbraw/zinc/19/63/93/960196393.db2.gz GTMIANBUFRVSMW-CRAIPNDOSA-N 2 2 367.453 1.648 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1coc(C)n1)CC2 ZINC001094437396 960481924 /nfs/dbraw/zinc/48/19/24/960481924.db2.gz SIHSCMQOXXHZQZ-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1coc(C)n1)CC2 ZINC001094437396 960481932 /nfs/dbraw/zinc/48/19/32/960481932.db2.gz SIHSCMQOXXHZQZ-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1coc(C)n1)CC2 ZINC001094437396 960481937 /nfs/dbraw/zinc/48/19/37/960481937.db2.gz SIHSCMQOXXHZQZ-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1coc(C)n1)CC2 ZINC001094437396 960481945 /nfs/dbraw/zinc/48/19/45/960481945.db2.gz SIHSCMQOXXHZQZ-QKNQBKEWSA-N 2 2 370.497 1.941 20 30 FDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171878460 961317772 /nfs/dbraw/zinc/31/77/72/961317772.db2.gz LFBMAOGXRUTXNR-QRVBRYPASA-N 2 2 365.518 1.154 20 30 FDEDLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172976056 961860476 /nfs/dbraw/zinc/86/04/76/961860476.db2.gz LJFRYKPIKKPUBM-KBPBESRZSA-N 2 2 350.467 1.050 20 30 FDEDLP C=C(C[NH+]1CCCC1)C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001183043734 962756217 /nfs/dbraw/zinc/75/62/17/962756217.db2.gz XMMUXDBTGLMKCH-GOSISDBHSA-N 2 2 358.486 1.920 20 30 FDEDLP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183840936 963307229 /nfs/dbraw/zinc/30/72/29/963307229.db2.gz KILVEJJNVZUNQG-GOSISDBHSA-N 2 2 372.469 1.263 20 30 FDEDLP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183840936 963307238 /nfs/dbraw/zinc/30/72/38/963307238.db2.gz KILVEJJNVZUNQG-GOSISDBHSA-N 2 2 372.469 1.263 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCC(C)C ZINC001110678944 968665875 /nfs/dbraw/zinc/66/58/75/968665875.db2.gz JYRXKZGRMAWFKW-ZRNYENFQSA-N 2 2 361.530 1.868 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCC(C)C ZINC001110678944 968665881 /nfs/dbraw/zinc/66/58/81/968665881.db2.gz JYRXKZGRMAWFKW-ZRNYENFQSA-N 2 2 361.530 1.868 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCC(C)C ZINC001110678944 968665884 /nfs/dbraw/zinc/66/58/84/968665884.db2.gz JYRXKZGRMAWFKW-ZRNYENFQSA-N 2 2 361.530 1.868 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCC(C)C ZINC001110678944 968665887 /nfs/dbraw/zinc/66/58/87/968665887.db2.gz JYRXKZGRMAWFKW-ZRNYENFQSA-N 2 2 361.530 1.868 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001110612919 977725445 /nfs/dbraw/zinc/72/54/45/977725445.db2.gz YFANJTFUZMABPG-ZACQAIPSSA-N 2 2 361.511 1.795 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001110612919 977725452 /nfs/dbraw/zinc/72/54/52/977725452.db2.gz YFANJTFUZMABPG-ZACQAIPSSA-N 2 2 361.511 1.795 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110748812 982100771 /nfs/dbraw/zinc/10/07/71/982100771.db2.gz UFNFZUKSNHESGW-OLMNPRSZSA-N 2 2 367.453 1.280 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110748812 982100774 /nfs/dbraw/zinc/10/07/74/982100774.db2.gz UFNFZUKSNHESGW-OLMNPRSZSA-N 2 2 367.453 1.280 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765605 982495471 /nfs/dbraw/zinc/49/54/71/982495471.db2.gz IDEPSLYKQITNSZ-HZMVEIRTSA-N 2 2 360.502 1.027 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765605 982495474 /nfs/dbraw/zinc/49/54/74/982495474.db2.gz IDEPSLYKQITNSZ-HZMVEIRTSA-N 2 2 360.502 1.027 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000884268801 983041455 /nfs/dbraw/zinc/04/14/55/983041455.db2.gz USSUXCCDIVNHRC-CEXWTWQISA-N 2 2 373.497 1.632 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884450288 983162162 /nfs/dbraw/zinc/16/21/62/983162162.db2.gz DKBYOJMIJUZIEJ-JQHSSLGASA-N 2 2 359.470 1.317 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884450288 983162168 /nfs/dbraw/zinc/16/21/68/983162168.db2.gz DKBYOJMIJUZIEJ-JQHSSLGASA-N 2 2 359.470 1.317 20 30 FDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001095429009 990271267 /nfs/dbraw/zinc/27/12/67/990271267.db2.gz ZDIFYFZEEGVVCA-QQXKLLMISA-N 2 2 352.482 1.899 20 30 FDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001095429009 990271276 /nfs/dbraw/zinc/27/12/76/990271276.db2.gz ZDIFYFZEEGVVCA-QQXKLLMISA-N 2 2 352.482 1.899 20 30 FDEDLP C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426919 990423818 /nfs/dbraw/zinc/42/38/18/990423818.db2.gz ZMMQDLJLBWKATD-FQEVSTJZSA-N 2 2 369.513 1.275 20 30 FDEDLP C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426919 990423823 /nfs/dbraw/zinc/42/38/23/990423823.db2.gz ZMMQDLJLBWKATD-FQEVSTJZSA-N 2 2 369.513 1.275 20 30 FDEDLP C#CCC1([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000887125832 996955434 /nfs/dbraw/zinc/95/54/34/996955434.db2.gz LTGMRGWBWDEPJH-UHFFFAOYSA-N 2 2 361.511 1.554 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000889370636 998308563 /nfs/dbraw/zinc/30/85/63/998308563.db2.gz ZWXVCSLNVFQDEI-KZNAEPCWSA-N 2 2 360.502 1.027 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000889370636 998308572 /nfs/dbraw/zinc/30/85/72/998308572.db2.gz ZWXVCSLNVFQDEI-KZNAEPCWSA-N 2 2 360.502 1.027 20 30 FDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784098 1007393633 /nfs/dbraw/zinc/39/36/33/1007393633.db2.gz BNHIDXKLFZOPIE-PXZCVYSUSA-N 2 2 351.878 1.324 20 30 FDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784098 1007393647 /nfs/dbraw/zinc/39/36/47/1007393647.db2.gz BNHIDXKLFZOPIE-PXZCVYSUSA-N 2 2 351.878 1.324 20 30 FDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001095784098 1007393660 /nfs/dbraw/zinc/39/36/60/1007393660.db2.gz BNHIDXKLFZOPIE-PXZCVYSUSA-N 2 2 351.878 1.324 20 30 FDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001095784098 1007393675 /nfs/dbraw/zinc/39/36/75/1007393675.db2.gz BNHIDXKLFZOPIE-PXZCVYSUSA-N 2 2 351.878 1.324 20 30 FDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001095801183 1007460422 /nfs/dbraw/zinc/46/04/22/1007460422.db2.gz QTLDGFSRIOMAJR-GFEQUFNTSA-N 2 2 363.502 1.164 20 30 FDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001095801183 1007460426 /nfs/dbraw/zinc/46/04/26/1007460426.db2.gz QTLDGFSRIOMAJR-GFEQUFNTSA-N 2 2 363.502 1.164 20 30 FDEDLP C=C(Br)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000959963696 1009213994 /nfs/dbraw/zinc/21/39/94/1009213994.db2.gz DXIUCFUHJWBKAC-VQJWOFKYSA-N 2 2 356.308 1.672 20 30 FDEDLP C=C(Br)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000959963696 1009214008 /nfs/dbraw/zinc/21/40/08/1009214008.db2.gz DXIUCFUHJWBKAC-VQJWOFKYSA-N 2 2 356.308 1.672 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000959963696 1009214018 /nfs/dbraw/zinc/21/40/18/1009214018.db2.gz DXIUCFUHJWBKAC-VQJWOFKYSA-N 2 2 356.308 1.672 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000959963696 1009214030 /nfs/dbraw/zinc/21/40/30/1009214030.db2.gz DXIUCFUHJWBKAC-VQJWOFKYSA-N 2 2 356.308 1.672 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408115 1012197865 /nfs/dbraw/zinc/19/78/65/1012197865.db2.gz JJQISZLPJUBBFV-KURKYZTESA-N 2 2 371.485 1.114 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408115 1012197875 /nfs/dbraw/zinc/19/78/75/1012197875.db2.gz JJQISZLPJUBBFV-KURKYZTESA-N 2 2 371.485 1.114 20 30 FDEDLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1F ZINC000512631193 538977635 /nfs/dbraw/zinc/97/76/35/538977635.db2.gz PUVOUXUFFOGTRW-HOCLYGCPSA-N 2 2 360.433 1.281 20 30 FDEDLP C[NH+](C)C1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000275388231 181306613 /nfs/dbraw/zinc/30/66/13/181306613.db2.gz CHGDQVQCPFYARL-UHFFFAOYSA-N 2 2 355.486 1.870 20 30 FDEDLP CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000295105888 184034111 /nfs/dbraw/zinc/03/41/11/184034111.db2.gz UFKLTESTLLZNLY-KRWDZBQOSA-N 2 2 364.515 1.440 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@@H+](CCCO)C3)CC2)cc1 ZINC000295187110 184043370 /nfs/dbraw/zinc/04/33/70/184043370.db2.gz WTIKTZXJCDRGCM-NRFANRHFSA-N 2 2 356.514 1.959 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@H+](CCCO)C3)CC2)cc1 ZINC000295187110 184043371 /nfs/dbraw/zinc/04/33/71/184043371.db2.gz WTIKTZXJCDRGCM-NRFANRHFSA-N 2 2 356.514 1.959 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548005154 542516076 /nfs/dbraw/zinc/51/60/76/542516076.db2.gz OAORCLFIHDXGMA-SFHVURJKSA-N 2 2 366.469 1.843 20 30 FDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C2 ZINC000550977900 543209632 /nfs/dbraw/zinc/20/96/32/543209632.db2.gz KSODUTSBWCRJLU-QXAKKESOSA-N 2 2 366.469 1.021 20 30 FDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C2 ZINC000550977900 543209634 /nfs/dbraw/zinc/20/96/34/543209634.db2.gz KSODUTSBWCRJLU-QXAKKESOSA-N 2 2 366.469 1.021 20 30 FDEDLP Cc1sc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c(C#N)c1C ZINC000129788876 173151154 /nfs/dbraw/zinc/15/11/54/173151154.db2.gz QCTAMCUTKYWJNJ-UHFFFAOYSA-N 2 2 363.531 1.744 20 30 FDEDLP Cc1sc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(C#N)c1C ZINC000129788876 173151156 /nfs/dbraw/zinc/15/11/56/173151156.db2.gz QCTAMCUTKYWJNJ-UHFFFAOYSA-N 2 2 363.531 1.744 20 30 FDEDLP N#CCC[C@H](C#N)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000554552164 543823071 /nfs/dbraw/zinc/82/30/71/543823071.db2.gz GFCJGOLAGPWNHX-GOSISDBHSA-N 2 2 369.469 1.881 20 30 FDEDLP C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368197158 260148158 /nfs/dbraw/zinc/14/81/58/260148158.db2.gz BHKJQUPOEXMRCO-MRXNPFEDSA-N 2 2 355.486 1.597 20 30 FDEDLP C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368197158 260148159 /nfs/dbraw/zinc/14/81/59/260148159.db2.gz BHKJQUPOEXMRCO-MRXNPFEDSA-N 2 2 355.486 1.597 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368680484 260219941 /nfs/dbraw/zinc/21/99/41/260219941.db2.gz MZGHJPBDKKGIQL-MRXNPFEDSA-N 2 2 372.469 1.044 20 30 FDEDLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C#N)CC3)CC2)cc1 ZINC000057875304 522175742 /nfs/dbraw/zinc/17/57/42/522175742.db2.gz VKKKVHPMOLEBJE-UHFFFAOYSA-N 2 2 356.470 1.575 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072974645 522438820 /nfs/dbraw/zinc/43/88/20/522438820.db2.gz SKRXEXRXXUGPGC-ULQDDVLXSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072974645 522438832 /nfs/dbraw/zinc/43/88/32/522438832.db2.gz SKRXEXRXXUGPGC-ULQDDVLXSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072974645 522438841 /nfs/dbraw/zinc/43/88/41/522438841.db2.gz SKRXEXRXXUGPGC-ULQDDVLXSA-N 2 2 350.507 1.973 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072974645 522438853 /nfs/dbraw/zinc/43/88/53/522438853.db2.gz SKRXEXRXXUGPGC-ULQDDVLXSA-N 2 2 350.507 1.973 20 30 FDEDLP CCC[NH+]1CCC(N2CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC2)CC1 ZINC000112358641 524469181 /nfs/dbraw/zinc/46/91/81/524469181.db2.gz VMWMPOSOHSBDJY-GOSISDBHSA-N 2 2 363.550 1.487 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174883852 524779027 /nfs/dbraw/zinc/77/90/27/524779027.db2.gz WSZKQWGBBHFNQH-MJGOQNOKSA-N 2 2 369.513 1.987 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175579295 524980013 /nfs/dbraw/zinc/98/00/13/524980013.db2.gz AVDJYBZWQDBMAZ-INIZCTEOSA-N 2 2 364.457 1.566 20 30 FDEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000124849837 525091942 /nfs/dbraw/zinc/09/19/42/525091942.db2.gz WSOOMJLELWGECT-UHFFFAOYSA-N 2 2 373.482 1.460 20 30 FDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000103492500 525362082 /nfs/dbraw/zinc/36/20/82/525362082.db2.gz GIHJUVAYTIUPMX-UHFFFAOYSA-N 2 2 371.485 1.373 20 30 FDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000104154766 525398440 /nfs/dbraw/zinc/39/84/40/525398440.db2.gz WVOZLJXNJYIUGZ-AWEZNQCLSA-N 2 2 367.519 1.876 20 30 FDEDLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCC#N ZINC000167079053 525595300 /nfs/dbraw/zinc/59/53/00/525595300.db2.gz BORNBDHACQRQRF-MSOLQXFVSA-N 2 2 370.563 1.889 20 30 FDEDLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCC#N ZINC000167079053 525595308 /nfs/dbraw/zinc/59/53/08/525595308.db2.gz BORNBDHACQRQRF-MSOLQXFVSA-N 2 2 370.563 1.889 20 30 FDEDLP [NH2+]=C(NCc1ccccc1OCC[NH+]1CCOCC1)Nc1ccccn1 ZINC000170911478 525766955 /nfs/dbraw/zinc/76/69/55/525766955.db2.gz YEPPDHWGHALXHU-UHFFFAOYSA-N 2 2 355.442 1.719 20 30 FDEDLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000182107298 526057039 /nfs/dbraw/zinc/05/70/39/526057039.db2.gz GYYQRIDKAYSECJ-PMACEKPBSA-N 2 2 370.497 1.748 20 30 FDEDLP C=CC[N@@H+](CCOC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000191083761 537197324 /nfs/dbraw/zinc/19/73/24/537197324.db2.gz CWMLMYOCDGPJIB-UHFFFAOYSA-N 2 2 353.507 1.272 20 30 FDEDLP C=CC[N@H+](CCOC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000191083761 537197327 /nfs/dbraw/zinc/19/73/27/537197327.db2.gz CWMLMYOCDGPJIB-UHFFFAOYSA-N 2 2 353.507 1.272 20 30 FDEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329959140 537647659 /nfs/dbraw/zinc/64/76/59/537647659.db2.gz NBUFRQRHKQICOE-IXDOHACOSA-N 2 2 362.522 1.743 20 30 FDEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329959140 537647664 /nfs/dbraw/zinc/64/76/64/537647664.db2.gz NBUFRQRHKQICOE-IXDOHACOSA-N 2 2 362.522 1.743 20 30 FDEDLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccsc1 ZINC000331018003 537664678 /nfs/dbraw/zinc/66/46/78/537664678.db2.gz ZJICUSNTTQPFSD-HNNXBMFYSA-N 2 2 354.520 1.653 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCOc3cccc(C#N)c3)CC2)C1 ZINC000375795531 537771354 /nfs/dbraw/zinc/77/13/54/537771354.db2.gz MQNBJJPPNYRBHP-HXUWFJFHSA-N 2 2 358.486 1.275 20 30 FDEDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCOc3cccc(C#N)c3)CC2)C1 ZINC000375795531 537771356 /nfs/dbraw/zinc/77/13/56/537771356.db2.gz MQNBJJPPNYRBHP-HXUWFJFHSA-N 2 2 358.486 1.275 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441067023 538306726 /nfs/dbraw/zinc/30/67/26/538306726.db2.gz RWOSSJDPILFIDQ-UHFFFAOYSA-N 2 2 350.551 1.901 20 30 FDEDLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1C ZINC000569204961 548832241 /nfs/dbraw/zinc/83/22/41/548832241.db2.gz APPOWODYVYLVGD-QGZVFWFLSA-N 2 2 352.442 1.248 20 30 FDEDLP C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C[NH+]1CCCCC1 ZINC000579343728 550863081 /nfs/dbraw/zinc/86/30/81/550863081.db2.gz JVXAEQMJNPCBLO-OAHLLOKOSA-N 2 2 350.488 1.439 20 30 FDEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc(C#N)cs3)CC2)CC1 ZINC000579537558 550883356 /nfs/dbraw/zinc/88/33/56/550883356.db2.gz PCEMDUPIDRKYSV-UHFFFAOYSA-N 2 2 361.515 1.781 20 30 FDEDLP C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000579809573 550911979 /nfs/dbraw/zinc/91/19/79/550911979.db2.gz OOBCQGXTCKJGLA-GOSISDBHSA-N 2 2 371.485 1.607 20 30 FDEDLP C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000579809573 550911981 /nfs/dbraw/zinc/91/19/81/550911981.db2.gz OOBCQGXTCKJGLA-GOSISDBHSA-N 2 2 371.485 1.607 20 30 FDEDLP C=CCNC(=O)C[NH+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000581493300 551095717 /nfs/dbraw/zinc/09/57/17/551095717.db2.gz NCEQAEGLXWZLCC-UHFFFAOYSA-N 2 2 355.486 1.878 20 30 FDEDLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN(CCC#N)CC1 ZINC000611175601 554612464 /nfs/dbraw/zinc/61/24/64/554612464.db2.gz JCLQJDXVJAVYLX-ICSRJNTNSA-N 2 2 369.513 1.297 20 30 FDEDLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN(CCC#N)CC1 ZINC000611175601 554612466 /nfs/dbraw/zinc/61/24/66/554612466.db2.gz JCLQJDXVJAVYLX-ICSRJNTNSA-N 2 2 369.513 1.297 20 30 FDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000611394868 554630671 /nfs/dbraw/zinc/63/06/71/554630671.db2.gz OHKQBZMEYQDNKE-AZUAARDMSA-N 2 2 368.481 1.458 20 30 FDEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)NS(C)(=O)=O ZINC000611438920 554633470 /nfs/dbraw/zinc/63/34/70/554633470.db2.gz RZEYQDJTAJACGN-UHFFFAOYSA-N 2 2 364.515 1.440 20 30 FDEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943804 672698602 /nfs/dbraw/zinc/69/86/02/672698602.db2.gz FGDSUNWTBAYQCS-QAPCUYQASA-N 2 2 372.579 1.581 20 30 FDEDLP CC[NH+]=C(NC[C@H](C)[NH+]1CCC(C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261977438 672705810 /nfs/dbraw/zinc/70/58/10/672705810.db2.gz OAKISMDVPCATSW-INIZCTEOSA-N 2 2 372.579 1.581 20 30 FDEDLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC#N ZINC000331323004 676727338 /nfs/dbraw/zinc/72/73/38/676727338.db2.gz LMXFHTRHFZLOQG-DLBZAZTESA-N 2 2 356.536 1.499 20 30 FDEDLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC#N ZINC000331323004 676727339 /nfs/dbraw/zinc/72/73/39/676727339.db2.gz LMXFHTRHFZLOQG-DLBZAZTESA-N 2 2 356.536 1.499 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373872718 678067983 /nfs/dbraw/zinc/06/79/83/678067983.db2.gz SBFIHXCMHPLJGD-RYRKJORJSA-N 2 2 350.507 1.435 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373872718 678067984 /nfs/dbraw/zinc/06/79/84/678067984.db2.gz SBFIHXCMHPLJGD-RYRKJORJSA-N 2 2 350.507 1.435 20 30 FDEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087424243 805610419 /nfs/dbraw/zinc/61/04/19/805610419.db2.gz PLGCKYMHZSOWKD-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087424243 805610420 /nfs/dbraw/zinc/61/04/20/805610420.db2.gz PLGCKYMHZSOWKD-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001087424243 805610425 /nfs/dbraw/zinc/61/04/25/805610425.db2.gz PLGCKYMHZSOWKD-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001087424243 805610426 /nfs/dbraw/zinc/61/04/26/805610426.db2.gz PLGCKYMHZSOWKD-VAMGGRTRSA-N 2 2 355.482 1.315 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087141083 775141727 /nfs/dbraw/zinc/14/17/27/775141727.db2.gz AYYUEHOMYREQGE-LSTHTHJFSA-N 2 2 370.497 1.606 20 30 FDEDLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087141083 775141734 /nfs/dbraw/zinc/14/17/34/775141734.db2.gz AYYUEHOMYREQGE-LSTHTHJFSA-N 2 2 370.497 1.606 20 30 FDEDLP O=C(N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249365 783504290 /nfs/dbraw/zinc/50/42/90/783504290.db2.gz AIQYBFJVYRWYRL-VQTJNVASSA-N 2 2 365.477 1.046 20 30 FDEDLP O=C(N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249365 783504296 /nfs/dbraw/zinc/50/42/96/783504296.db2.gz AIQYBFJVYRWYRL-VQTJNVASSA-N 2 2 365.477 1.046 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000375900277 785260786 /nfs/dbraw/zinc/26/07/86/785260786.db2.gz GFQDYJGIPMHYRS-YLJYHZDGSA-N 2 2 369.513 1.986 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000375900277 785260792 /nfs/dbraw/zinc/26/07/92/785260792.db2.gz GFQDYJGIPMHYRS-YLJYHZDGSA-N 2 2 369.513 1.986 20 30 FDEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680213 805523472 /nfs/dbraw/zinc/52/34/72/805523472.db2.gz LPMBAUZCHHHFAL-RBUKOAKNSA-N 2 2 352.438 1.186 20 30 FDEDLP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001087424046 805549924 /nfs/dbraw/zinc/54/99/24/805549924.db2.gz GSCQPMIDEMUGTB-AQNXPRMDSA-N 2 2 357.498 1.867 20 30 FDEDLP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001087424046 805549928 /nfs/dbraw/zinc/54/99/28/805549928.db2.gz GSCQPMIDEMUGTB-AQNXPRMDSA-N 2 2 357.498 1.867 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087424046 805549932 /nfs/dbraw/zinc/54/99/32/805549932.db2.gz GSCQPMIDEMUGTB-AQNXPRMDSA-N 2 2 357.498 1.867 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087424046 805549934 /nfs/dbraw/zinc/54/99/34/805549934.db2.gz GSCQPMIDEMUGTB-AQNXPRMDSA-N 2 2 357.498 1.867 20 30 FDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261738345 810555291 /nfs/dbraw/zinc/55/52/91/810555291.db2.gz MEFSMANKFKUOCV-UHFFFAOYSA-N 2 2 362.428 1.949 20 30 FDEDLP C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000517936921 817641544 /nfs/dbraw/zinc/64/15/44/817641544.db2.gz BTZIVLVGZAWWEY-YJBOKZPZSA-N 2 2 353.474 1.059 20 30 FDEDLP C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000517936921 817641548 /nfs/dbraw/zinc/64/15/48/817641548.db2.gz BTZIVLVGZAWWEY-YJBOKZPZSA-N 2 2 353.474 1.059 20 30 FDEDLP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)c2c1OC(F)(F)O2 ZINC000895157021 821164617 /nfs/dbraw/zinc/16/46/17/821164617.db2.gz KXKRDMYKGBZJQI-GFCCVEGCSA-N 2 2 357.357 1.540 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(OC)c2)[C@@H]1CC ZINC001087607014 821712948 /nfs/dbraw/zinc/71/29/48/821712948.db2.gz FYFYIVPZNMMNSS-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(OC)c2)[C@@H]1CC ZINC001087607014 821712956 /nfs/dbraw/zinc/71/29/56/821712956.db2.gz FYFYIVPZNMMNSS-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccnc(OC)c2)[C@@H]1CC ZINC001087607014 821712965 /nfs/dbraw/zinc/71/29/65/821712965.db2.gz FYFYIVPZNMMNSS-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccnc(OC)c2)[C@@H]1CC ZINC001087607014 821712973 /nfs/dbraw/zinc/71/29/73/821712973.db2.gz FYFYIVPZNMMNSS-OTWHNJEPSA-N 2 2 370.497 1.657 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000329105303 824590257 /nfs/dbraw/zinc/59/02/57/824590257.db2.gz GZXVKIJBKUCTJV-QGZVFWFLSA-N 2 2 362.522 1.669 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000329105303 824590265 /nfs/dbraw/zinc/59/02/65/824590265.db2.gz GZXVKIJBKUCTJV-QGZVFWFLSA-N 2 2 362.522 1.669 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3C(=O)NC(=O)C3(C)C)CC2)CC1 ZINC000329895711 825526359 /nfs/dbraw/zinc/52/63/59/825526359.db2.gz KNONPAFIWVOTEW-UHFFFAOYSA-N 2 2 365.478 1.672 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 ZINC000330155699 825687932 /nfs/dbraw/zinc/68/79/32/825687932.db2.gz OXDUJJHCSDNJOR-UHFFFAOYSA-N 2 2 359.474 1.901 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105622913 842249617 /nfs/dbraw/zinc/24/96/17/842249617.db2.gz JXZHGDQSELOEKL-YKCBXCCJSA-N 2 2 358.486 1.332 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088814633 845557517 /nfs/dbraw/zinc/55/75/17/845557517.db2.gz CGNJBRPZCDJUEX-UXPWSPDFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088814633 845557522 /nfs/dbraw/zinc/55/75/22/845557522.db2.gz CGNJBRPZCDJUEX-UXPWSPDFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088814633 845557524 /nfs/dbraw/zinc/55/75/24/845557524.db2.gz CGNJBRPZCDJUEX-UXPWSPDFSA-N 2 2 370.497 1.746 20 30 FDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088814633 845557532 /nfs/dbraw/zinc/55/75/32/845557532.db2.gz CGNJBRPZCDJUEX-UXPWSPDFSA-N 2 2 370.497 1.746 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001076046749 847150264 /nfs/dbraw/zinc/15/02/64/847150264.db2.gz JZHRHXALULILBD-PKOBYXMFSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001076046749 847150268 /nfs/dbraw/zinc/15/02/68/847150268.db2.gz JZHRHXALULILBD-PKOBYXMFSA-N 2 2 367.428 1.935 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nccn4CC)C[C@H]32)CC1 ZINC001076604521 848553956 /nfs/dbraw/zinc/55/39/56/848553956.db2.gz KBZMQOODMJSWSB-RBUKOAKNSA-N 2 2 369.513 1.281 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nccn4CC)C[C@H]32)CC1 ZINC001076604521 848553961 /nfs/dbraw/zinc/55/39/61/848553961.db2.gz KBZMQOODMJSWSB-RBUKOAKNSA-N 2 2 369.513 1.281 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077026687 849573441 /nfs/dbraw/zinc/57/34/41/849573441.db2.gz FTZUSQJNMFOTDC-JCHJZTRSSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC[N@H+]1C ZINC001077026687 849573445 /nfs/dbraw/zinc/57/34/45/849573445.db2.gz FTZUSQJNMFOTDC-JCHJZTRSSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC[NH+]1C ZINC001077026687 849573452 /nfs/dbraw/zinc/57/34/52/849573452.db2.gz FTZUSQJNMFOTDC-JCHJZTRSSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CC[NH+]1C ZINC001077026687 849573458 /nfs/dbraw/zinc/57/34/58/849573458.db2.gz FTZUSQJNMFOTDC-JCHJZTRSSA-N 2 2 374.460 1.089 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001033183744 881686945 /nfs/dbraw/zinc/68/69/45/881686945.db2.gz FEOMBQMGNJYVES-MISYRCLQSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001033183744 881686953 /nfs/dbraw/zinc/68/69/53/881686953.db2.gz FEOMBQMGNJYVES-MISYRCLQSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001033183744 881686958 /nfs/dbraw/zinc/68/69/58/881686958.db2.gz FEOMBQMGNJYVES-MISYRCLQSA-N 2 2 355.482 1.290 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001033183744 881686965 /nfs/dbraw/zinc/68/69/65/881686965.db2.gz FEOMBQMGNJYVES-MISYRCLQSA-N 2 2 355.482 1.290 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000913873757 869870099 /nfs/dbraw/zinc/87/00/99/869870099.db2.gz RRNDBZRMNRTMOW-FQEVSTJZSA-N 2 2 370.497 1.284 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000913873757 869870116 /nfs/dbraw/zinc/87/01/16/869870116.db2.gz RRNDBZRMNRTMOW-FQEVSTJZSA-N 2 2 370.497 1.284 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(F)(F)C(F)F)[C@H](C)C1 ZINC001106266447 874260333 /nfs/dbraw/zinc/26/03/33/874260333.db2.gz KEQKTTDTRNNUHA-MCIONIFRSA-N 2 2 363.399 1.669 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(F)(F)C(F)F)[C@H](C)C1 ZINC001106266447 874260346 /nfs/dbraw/zinc/26/03/46/874260346.db2.gz KEQKTTDTRNNUHA-MCIONIFRSA-N 2 2 363.399 1.669 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000917637993 883607335 /nfs/dbraw/zinc/60/73/35/883607335.db2.gz VILGNLCQGHTDRL-SFHVURJKSA-N 2 2 370.501 1.459 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001034273415 884068541 /nfs/dbraw/zinc/06/85/41/884068541.db2.gz QQSQTJHBUKGSIP-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001034273415 884068554 /nfs/dbraw/zinc/06/85/54/884068554.db2.gz QQSQTJHBUKGSIP-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001034273415 884068568 /nfs/dbraw/zinc/06/85/68/884068568.db2.gz QQSQTJHBUKGSIP-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001034273415 884068589 /nfs/dbraw/zinc/06/85/89/884068589.db2.gz QQSQTJHBUKGSIP-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000900044669 886843858 /nfs/dbraw/zinc/84/38/58/886843858.db2.gz FPGWAUPLGHEACB-ICSRJNTNSA-N 2 2 356.470 1.048 20 30 FDEDLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900044669 886843896 /nfs/dbraw/zinc/84/38/96/886843896.db2.gz FPGWAUPLGHEACB-ICSRJNTNSA-N 2 2 356.470 1.048 20 30 FDEDLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900044669 886843915 /nfs/dbraw/zinc/84/39/15/886843915.db2.gz FPGWAUPLGHEACB-ICSRJNTNSA-N 2 2 356.470 1.048 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999769413 913257068 /nfs/dbraw/zinc/25/70/68/913257068.db2.gz DXMZNXIGNHBMIQ-ZACQAIPSSA-N 2 2 371.909 1.199 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231493 913775839 /nfs/dbraw/zinc/77/58/39/913775839.db2.gz BXJFPAGELCUXDC-NZSAHSFTSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231493 913775845 /nfs/dbraw/zinc/77/58/45/913775845.db2.gz BXJFPAGELCUXDC-NZSAHSFTSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084231493 913775851 /nfs/dbraw/zinc/77/58/51/913775851.db2.gz BXJFPAGELCUXDC-NZSAHSFTSA-N 2 2 368.481 1.694 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084231493 913775862 /nfs/dbraw/zinc/77/58/62/913775862.db2.gz BXJFPAGELCUXDC-NZSAHSFTSA-N 2 2 368.481 1.694 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079129762 901936002 /nfs/dbraw/zinc/93/60/02/901936002.db2.gz FPATVWGQEQKTIB-XUVXKRRUSA-N 2 2 357.498 1.731 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079129762 901936008 /nfs/dbraw/zinc/93/60/08/901936008.db2.gz FPATVWGQEQKTIB-XUVXKRRUSA-N 2 2 357.498 1.731 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129762 901936017 /nfs/dbraw/zinc/93/60/17/901936017.db2.gz FPATVWGQEQKTIB-XUVXKRRUSA-N 2 2 357.498 1.731 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129762 901936024 /nfs/dbraw/zinc/93/60/24/901936024.db2.gz FPATVWGQEQKTIB-XUVXKRRUSA-N 2 2 357.498 1.731 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCC)C[C@H]1O ZINC001079137105 902012351 /nfs/dbraw/zinc/01/23/51/902012351.db2.gz VLFNRODJMCXVOL-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCC)C[C@H]1O ZINC001079137105 902012359 /nfs/dbraw/zinc/01/23/59/902012359.db2.gz VLFNRODJMCXVOL-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCC)C[C@H]1O ZINC001079137105 902012370 /nfs/dbraw/zinc/01/23/70/902012370.db2.gz VLFNRODJMCXVOL-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCC)C[C@H]1O ZINC001079137105 902012378 /nfs/dbraw/zinc/01/23/78/902012378.db2.gz VLFNRODJMCXVOL-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079138205 902018016 /nfs/dbraw/zinc/01/80/16/902018016.db2.gz TULQWGZNKIBJBP-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001079138205 902018020 /nfs/dbraw/zinc/01/80/20/902018020.db2.gz TULQWGZNKIBJBP-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079138205 902018033 /nfs/dbraw/zinc/01/80/33/902018033.db2.gz TULQWGZNKIBJBP-PWRODBHTSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cccc(F)c1 ZINC001079188703 902137019 /nfs/dbraw/zinc/13/70/19/902137019.db2.gz MQFJBYIZEPVYSN-NZSAHSFTSA-N 2 2 366.440 1.802 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1C ZINC001079878273 903603132 /nfs/dbraw/zinc/60/31/32/903603132.db2.gz PRXRGWUBYWYHSH-OIISXLGYSA-N 2 2 363.893 1.071 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1C ZINC001079878273 903603140 /nfs/dbraw/zinc/60/31/40/903603140.db2.gz PRXRGWUBYWYHSH-OIISXLGYSA-N 2 2 363.893 1.071 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1C ZINC001079878273 903603146 /nfs/dbraw/zinc/60/31/46/903603146.db2.gz PRXRGWUBYWYHSH-OIISXLGYSA-N 2 2 363.893 1.071 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1C ZINC001079878273 903603151 /nfs/dbraw/zinc/60/31/51/903603151.db2.gz PRXRGWUBYWYHSH-OIISXLGYSA-N 2 2 363.893 1.071 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328177 906775052 /nfs/dbraw/zinc/77/50/52/906775052.db2.gz HMZVRZZDOMGOQB-HZPDHXFCSA-N 2 2 360.483 1.031 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328177 906775063 /nfs/dbraw/zinc/77/50/63/906775063.db2.gz HMZVRZZDOMGOQB-HZPDHXFCSA-N 2 2 360.483 1.031 20 30 FDEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082384656 907390973 /nfs/dbraw/zinc/39/09/73/907390973.db2.gz GWPQMFUMXAWCJE-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082384656 907390987 /nfs/dbraw/zinc/39/09/87/907390987.db2.gz GWPQMFUMXAWCJE-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082384656 907391007 /nfs/dbraw/zinc/39/10/07/907391007.db2.gz GWPQMFUMXAWCJE-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082384656 907391026 /nfs/dbraw/zinc/39/10/26/907391026.db2.gz GWPQMFUMXAWCJE-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084662507 915921770 /nfs/dbraw/zinc/92/17/70/915921770.db2.gz MSKQNOMHATXJSV-HDMKZQKVSA-N 2 2 358.511 1.994 20 30 FDEDLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084662507 915921774 /nfs/dbraw/zinc/92/17/74/915921774.db2.gz MSKQNOMHATXJSV-HDMKZQKVSA-N 2 2 358.511 1.994 20 30 FDEDLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084662507 915921779 /nfs/dbraw/zinc/92/17/79/915921779.db2.gz MSKQNOMHATXJSV-HDMKZQKVSA-N 2 2 358.511 1.994 20 30 FDEDLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084662507 915921781 /nfs/dbraw/zinc/92/17/81/915921781.db2.gz MSKQNOMHATXJSV-HDMKZQKVSA-N 2 2 358.511 1.994 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000730105234 916137818 /nfs/dbraw/zinc/13/78/18/916137818.db2.gz DJLVUVYNCKQGJV-IBGZPJMESA-N 2 2 368.481 1.420 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000730105234 916137829 /nfs/dbraw/zinc/13/78/29/916137829.db2.gz DJLVUVYNCKQGJV-IBGZPJMESA-N 2 2 368.481 1.420 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001084910971 918246014 /nfs/dbraw/zinc/24/60/14/918246014.db2.gz JYFMJEAMKJUHMJ-AABGKKOBSA-N 2 2 368.481 1.312 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001084910971 918246027 /nfs/dbraw/zinc/24/60/27/918246027.db2.gz JYFMJEAMKJUHMJ-AABGKKOBSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001084910971 918246040 /nfs/dbraw/zinc/24/60/40/918246040.db2.gz JYFMJEAMKJUHMJ-AABGKKOBSA-N 2 2 368.481 1.312 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001084910971 918246053 /nfs/dbraw/zinc/24/60/53/918246053.db2.gz JYFMJEAMKJUHMJ-AABGKKOBSA-N 2 2 368.481 1.312 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]32)C1=O ZINC001084955167 918779904 /nfs/dbraw/zinc/77/99/04/918779904.db2.gz JJGWXFZITYOFEC-SZMVWBNQSA-N 2 2 371.485 1.052 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]32)C1=O ZINC001084955167 918779909 /nfs/dbraw/zinc/77/99/09/918779909.db2.gz JJGWXFZITYOFEC-SZMVWBNQSA-N 2 2 371.485 1.052 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]32)C1=O ZINC001084955167 918779917 /nfs/dbraw/zinc/77/99/17/918779917.db2.gz JJGWXFZITYOFEC-SZMVWBNQSA-N 2 2 371.485 1.052 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]32)C1=O ZINC001084955167 918779957 /nfs/dbraw/zinc/77/99/57/918779957.db2.gz JJGWXFZITYOFEC-SZMVWBNQSA-N 2 2 371.485 1.052 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016637 919682373 /nfs/dbraw/zinc/68/23/73/919682373.db2.gz CIAKCFWEHZEPFI-IXDOHACOSA-N 2 2 355.910 1.771 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016637 919682383 /nfs/dbraw/zinc/68/23/83/919682383.db2.gz CIAKCFWEHZEPFI-IXDOHACOSA-N 2 2 355.910 1.771 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016637 919682386 /nfs/dbraw/zinc/68/23/86/919682386.db2.gz CIAKCFWEHZEPFI-IXDOHACOSA-N 2 2 355.910 1.771 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016637 919682394 /nfs/dbraw/zinc/68/23/94/919682394.db2.gz CIAKCFWEHZEPFI-IXDOHACOSA-N 2 2 355.910 1.771 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878385 930678435 /nfs/dbraw/zinc/67/84/35/930678435.db2.gz VPNFCTNOITUKNT-MHORFTMASA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878385 930678444 /nfs/dbraw/zinc/67/84/44/930678444.db2.gz VPNFCTNOITUKNT-MHORFTMASA-N 2 2 362.518 1.131 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109977386 930935726 /nfs/dbraw/zinc/93/57/26/930935726.db2.gz HIRIKNNUAXZQCH-QYZOEREBSA-N 2 2 356.470 1.358 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109977386 930935729 /nfs/dbraw/zinc/93/57/29/930935729.db2.gz HIRIKNNUAXZQCH-QYZOEREBSA-N 2 2 356.470 1.358 20 30 FDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)C2 ZINC001112586603 931776753 /nfs/dbraw/zinc/77/67/53/931776753.db2.gz IBYSXDZAGXZANO-ZVDOUQERSA-N 2 2 354.498 1.926 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129930400 938572800 /nfs/dbraw/zinc/57/28/00/938572800.db2.gz FXZKPDKHGNXYOS-WBVHZDCISA-N 2 2 365.441 1.547 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001130033714 938634307 /nfs/dbraw/zinc/63/43/07/938634307.db2.gz BNXWYQZOTLCFRE-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130033714 938634309 /nfs/dbraw/zinc/63/43/09/938634309.db2.gz BNXWYQZOTLCFRE-OIISXLGYSA-N 2 2 357.462 1.188 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103078 940509374 /nfs/dbraw/zinc/50/93/74/940509374.db2.gz COXZZBBNWHKUFW-SQNIBIBYSA-N 2 2 362.518 1.228 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103078 940509376 /nfs/dbraw/zinc/50/93/76/940509376.db2.gz COXZZBBNWHKUFW-SQNIBIBYSA-N 2 2 362.518 1.228 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC001134049736 941537364 /nfs/dbraw/zinc/53/73/64/941537364.db2.gz MDZTUEPMUXSWRF-IAGOWNOFSA-N 2 2 353.426 1.332 20 30 FDEDLP C=CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775659252 970982033 /nfs/dbraw/zinc/98/20/33/970982033.db2.gz HIZYXCLBJBCOKO-LJQANCHMSA-N 2 2 363.527 1.614 20 30 FDEDLP C=CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775659252 970982035 /nfs/dbraw/zinc/98/20/35/970982035.db2.gz HIZYXCLBJBCOKO-LJQANCHMSA-N 2 2 363.527 1.614 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccc(OC)cc1 ZINC001090877139 947566034 /nfs/dbraw/zinc/56/60/34/947566034.db2.gz KKJIOCXMDGKDNA-RBUKOAKNSA-N 2 2 366.465 1.579 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4ncccn4)C[C@@]3(C)C2)CC1 ZINC001092299776 954748042 /nfs/dbraw/zinc/74/80/42/954748042.db2.gz IBVAFUCCNDSNCK-NQIIRXRSSA-N 2 2 367.497 1.102 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4ncccn4)C[C@@]3(C)C2)CC1 ZINC001092299776 954748049 /nfs/dbraw/zinc/74/80/49/954748049.db2.gz IBVAFUCCNDSNCK-NQIIRXRSSA-N 2 2 367.497 1.102 20 30 FDEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1nccn12 ZINC001092392814 954994320 /nfs/dbraw/zinc/99/43/20/954994320.db2.gz LKPUUDQLXDVZCH-OAGGEKHMSA-N 2 2 366.469 1.568 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH+]ccn3C)[C@H]2C(C)C)C[C@H]1O ZINC001093455126 958271890 /nfs/dbraw/zinc/27/18/90/958271890.db2.gz KOUZTTXWKMQPSO-YKCBXCCJSA-N 2 2 360.502 1.505 20 30 FDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171878459 961317264 /nfs/dbraw/zinc/31/72/64/961317264.db2.gz LFBMAOGXRUTXNR-OTWHNJEPSA-N 2 2 365.518 1.154 20 30 FDEDLP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831175 963301568 /nfs/dbraw/zinc/30/15/68/963301568.db2.gz LVSONWSCQFWGPF-HSALFYBXSA-N 2 2 352.482 1.933 20 30 FDEDLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831175 963301579 /nfs/dbraw/zinc/30/15/79/963301579.db2.gz LVSONWSCQFWGPF-HSALFYBXSA-N 2 2 352.482 1.933 20 30 FDEDLP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831175 963301585 /nfs/dbraw/zinc/30/15/85/963301585.db2.gz LVSONWSCQFWGPF-HSALFYBXSA-N 2 2 352.482 1.933 20 30 FDEDLP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831175 963301593 /nfs/dbraw/zinc/30/15/93/963301593.db2.gz LVSONWSCQFWGPF-HSALFYBXSA-N 2 2 352.482 1.933 20 30 FDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC12CCOCC2 ZINC001186506064 964533967 /nfs/dbraw/zinc/53/39/67/964533967.db2.gz XQVATWAIFXFEFE-BRWVUGGUSA-N 2 2 356.470 1.002 20 30 FDEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188285139 966187728 /nfs/dbraw/zinc/18/77/28/966187728.db2.gz HVXAFHZMECTTBC-IPMKNSEASA-N 2 2 358.486 1.653 20 30 FDEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188285139 966187736 /nfs/dbraw/zinc/18/77/36/966187736.db2.gz HVXAFHZMECTTBC-IPMKNSEASA-N 2 2 358.486 1.653 20 30 FDEDLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1 ZINC000852866116 967671497 /nfs/dbraw/zinc/67/14/97/967671497.db2.gz SGMGONVBEXTWFZ-KRWDZBQOSA-N 2 2 355.482 1.903 20 30 FDEDLP Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417350 970364911 /nfs/dbraw/zinc/36/49/11/970364911.db2.gz YWMMQWSWSVURIQ-UHFFFAOYSA-N 2 2 357.458 1.864 20 30 FDEDLP Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417350 970364925 /nfs/dbraw/zinc/36/49/25/970364925.db2.gz YWMMQWSWSVURIQ-UHFFFAOYSA-N 2 2 357.458 1.864 20 30 FDEDLP CCOC(=O)[C@H](C#N)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198035721 972714491 /nfs/dbraw/zinc/71/44/91/972714491.db2.gz BFMULQNJANIUTK-KRWDZBQOSA-N 2 2 360.458 1.255 20 30 FDEDLP CCOC(=O)[C@H](C#N)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198035721 972714505 /nfs/dbraw/zinc/71/45/05/972714505.db2.gz BFMULQNJANIUTK-KRWDZBQOSA-N 2 2 360.458 1.255 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000868290886 977456822 /nfs/dbraw/zinc/45/68/22/977456822.db2.gz VIQSPFXXNATVDP-RBUKOAKNSA-N 2 2 367.497 1.493 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)CC1 ZINC000868290886 977456830 /nfs/dbraw/zinc/45/68/30/977456830.db2.gz VIQSPFXXNATVDP-RBUKOAKNSA-N 2 2 367.497 1.493 20 30 FDEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883372129 982101206 /nfs/dbraw/zinc/10/12/06/982101206.db2.gz NGELZVCAMHWOTE-QUCCMNQESA-N 2 2 372.513 1.864 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366726857 988757481 /nfs/dbraw/zinc/75/74/81/988757481.db2.gz ZGGLJSKEDMZFTP-LPHOPBHVSA-N 2 2 364.534 1.825 20 30 FDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000372384496 991066714 /nfs/dbraw/zinc/06/67/14/991066714.db2.gz RDGRKMYHUOWUHA-GOSISDBHSA-N 2 2 351.454 1.863 20 30 FDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000372384496 991066727 /nfs/dbraw/zinc/06/67/27/991066727.db2.gz RDGRKMYHUOWUHA-GOSISDBHSA-N 2 2 351.454 1.863 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000876769769 992892870 /nfs/dbraw/zinc/89/28/70/992892870.db2.gz ZOMHLQZRYPCOIM-HUUCEWRRSA-N 2 2 351.882 1.178 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111028255 1004852412 /nfs/dbraw/zinc/85/24/12/1004852412.db2.gz PUJXKHYWYRKIQC-HZMVEIRTSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111028255 1004852416 /nfs/dbraw/zinc/85/24/16/1004852416.db2.gz PUJXKHYWYRKIQC-HZMVEIRTSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111028255 1004852419 /nfs/dbraw/zinc/85/24/19/1004852419.db2.gz PUJXKHYWYRKIQC-HZMVEIRTSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111028255 1004852424 /nfs/dbraw/zinc/85/24/24/1004852424.db2.gz PUJXKHYWYRKIQC-HZMVEIRTSA-N 2 2 362.518 1.131 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132918 540814009 /nfs/dbraw/zinc/81/40/09/540814009.db2.gz FJMIOMUPCAIZRL-QFBILLFUSA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132918 540814012 /nfs/dbraw/zinc/81/40/12/540814012.db2.gz FJMIOMUPCAIZRL-QFBILLFUSA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000538132918 540814015 /nfs/dbraw/zinc/81/40/15/540814015.db2.gz FJMIOMUPCAIZRL-QFBILLFUSA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538132918 540814018 /nfs/dbraw/zinc/81/40/18/540814018.db2.gz FJMIOMUPCAIZRL-QFBILLFUSA-N 2 2 351.539 1.387 20 30 FDEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069859253 172033773 /nfs/dbraw/zinc/03/37/73/172033773.db2.gz QYANZXYDCFFIHN-QGZVFWFLSA-N 2 2 356.470 1.931 20 30 FDEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069859253 172033774 /nfs/dbraw/zinc/03/37/74/172033774.db2.gz QYANZXYDCFFIHN-QGZVFWFLSA-N 2 2 356.470 1.931 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177374776 174125946 /nfs/dbraw/zinc/12/59/46/174125946.db2.gz QCXTWPHIUGQIAB-MRXNPFEDSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177374776 174125948 /nfs/dbraw/zinc/12/59/48/174125948.db2.gz QCXTWPHIUGQIAB-MRXNPFEDSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374776 174125949 /nfs/dbraw/zinc/12/59/49/174125949.db2.gz QCXTWPHIUGQIAB-MRXNPFEDSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374776 174125952 /nfs/dbraw/zinc/12/59/52/174125952.db2.gz QCXTWPHIUGQIAB-MRXNPFEDSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000367574275 260063134 /nfs/dbraw/zinc/06/31/34/260063134.db2.gz HBESRBDGGPROAY-WIYYLYMNSA-N 2 2 371.529 1.632 20 30 FDEDLP C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000373526927 261017657 /nfs/dbraw/zinc/01/76/57/261017657.db2.gz AOOQVEOTMSEWMO-KRWDZBQOSA-N 2 2 369.513 1.275 20 30 FDEDLP C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000373526927 261017658 /nfs/dbraw/zinc/01/76/58/261017658.db2.gz AOOQVEOTMSEWMO-KRWDZBQOSA-N 2 2 369.513 1.275 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111230849 524228397 /nfs/dbraw/zinc/22/83/97/524228397.db2.gz PENLDPLKONAPIL-RBUKOAKNSA-N 2 2 350.551 1.901 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111230849 524228403 /nfs/dbraw/zinc/22/84/03/524228403.db2.gz PENLDPLKONAPIL-RBUKOAKNSA-N 2 2 350.551 1.901 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162775439 525315960 /nfs/dbraw/zinc/31/59/60/525315960.db2.gz XQGAJRMYTQSHGK-QGZVFWFLSA-N 2 2 372.469 1.184 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162775439 525315970 /nfs/dbraw/zinc/31/59/70/525315970.db2.gz XQGAJRMYTQSHGK-QGZVFWFLSA-N 2 2 372.469 1.184 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000178466716 525433223 /nfs/dbraw/zinc/43/32/23/525433223.db2.gz LHTSLLZPWPRKDF-UHFFFAOYSA-N 2 2 359.474 1.999 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266556490 536901713 /nfs/dbraw/zinc/90/17/13/536901713.db2.gz NBAGQEOQUKHNDB-HXUWFJFHSA-N 2 2 355.482 1.445 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266556490 536901716 /nfs/dbraw/zinc/90/17/16/536901716.db2.gz NBAGQEOQUKHNDB-HXUWFJFHSA-N 2 2 355.482 1.445 20 30 FDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1c(C)nn(C)c1C ZINC000262832237 536914227 /nfs/dbraw/zinc/91/42/27/536914227.db2.gz RSHMMFUBTCFNFP-UHFFFAOYSA-N 2 2 360.531 1.822 20 30 FDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1c(C)nn(C)c1C ZINC000262832237 536914228 /nfs/dbraw/zinc/91/42/28/536914228.db2.gz RSHMMFUBTCFNFP-UHFFFAOYSA-N 2 2 360.531 1.822 20 30 FDEDLP C=CCNC(=O)c1ccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nc1 ZINC000269299376 537019465 /nfs/dbraw/zinc/01/94/65/537019465.db2.gz BLVTTZJVZMCQCS-UHFFFAOYSA-N 2 2 371.529 1.992 20 30 FDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000248928169 537221752 /nfs/dbraw/zinc/22/17/52/537221752.db2.gz XLTBGMWGNLPOEW-FGTMMUONSA-N 2 2 370.501 1.954 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330001325 537648896 /nfs/dbraw/zinc/64/88/96/537648896.db2.gz XWIXQFNIBBMZRL-UHFFFAOYSA-N 2 2 360.462 1.638 20 30 FDEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330513685 537657425 /nfs/dbraw/zinc/65/74/25/537657425.db2.gz CXUKILDEQLCWDY-ULQDDVLXSA-N 2 2 367.538 1.019 20 30 FDEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330513685 537657429 /nfs/dbraw/zinc/65/74/29/537657429.db2.gz CXUKILDEQLCWDY-ULQDDVLXSA-N 2 2 367.538 1.019 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330513599 537658064 /nfs/dbraw/zinc/65/80/64/537658064.db2.gz CTRSWZURMNITHF-XSYGEPLQSA-N 2 2 363.550 1.387 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330513599 537658066 /nfs/dbraw/zinc/65/80/66/537658066.db2.gz CTRSWZURMNITHF-XSYGEPLQSA-N 2 2 363.550 1.387 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000375904879 537798714 /nfs/dbraw/zinc/79/87/14/537798714.db2.gz LKFKXHVMWBJMNY-PKOBYXMFSA-N 2 2 369.513 1.986 20 30 FDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)CC1 ZINC000375904879 537798723 /nfs/dbraw/zinc/79/87/23/537798723.db2.gz LKFKXHVMWBJMNY-PKOBYXMFSA-N 2 2 369.513 1.986 20 30 FDEDLP N#Cc1cccc(OCC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)c1 ZINC000372280594 537910428 /nfs/dbraw/zinc/91/04/28/537910428.db2.gz FEMNVEUOBYDKIX-UHFFFAOYSA-N 2 2 358.486 1.277 20 30 FDEDLP C=CCNC(=O)c1ccc(N2CC[NH+](C3CC[NH+](CCC)CC3)CC2)nc1 ZINC000369243027 538007724 /nfs/dbraw/zinc/00/77/24/538007724.db2.gz KJSHSNLVCHLGSA-UHFFFAOYSA-N 2 2 371.529 1.994 20 30 FDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000424133348 538243829 /nfs/dbraw/zinc/24/38/29/538243829.db2.gz MBAIJKKZEKPIMT-GFCCVEGCSA-N 2 2 350.220 1.734 20 30 FDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000442862996 538381076 /nfs/dbraw/zinc/38/10/76/538381076.db2.gz WKJUNHNBJNCTTM-ZACQAIPSSA-N 2 2 356.474 1.564 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435428746 538406413 /nfs/dbraw/zinc/40/64/13/538406413.db2.gz UMLNRYYVTNEIPF-UHFFFAOYSA-N 2 2 356.517 1.266 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435428746 538406419 /nfs/dbraw/zinc/40/64/19/538406419.db2.gz UMLNRYYVTNEIPF-UHFFFAOYSA-N 2 2 356.517 1.266 20 30 FDEDLP N#Cc1cccnc1OC1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000568499924 548561940 /nfs/dbraw/zinc/56/19/40/548561940.db2.gz ZSECQGWPPMVEDH-CSODTCANSA-N 2 2 356.470 2.000 20 30 FDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000568746562 548663191 /nfs/dbraw/zinc/66/31/91/548663191.db2.gz OVRBPPXJNUENLI-INIZCTEOSA-N 2 2 364.877 1.884 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000569815355 549058349 /nfs/dbraw/zinc/05/83/49/549058349.db2.gz SRTSVUVQPGXMEI-UHFFFAOYSA-N 2 2 359.470 1.772 20 30 FDEDLP N#Cc1csc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000572326803 549890364 /nfs/dbraw/zinc/89/03/64/549890364.db2.gz GYAHHWPKHQZTTF-UHFFFAOYSA-N 2 2 356.455 1.238 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000572864792 550013719 /nfs/dbraw/zinc/01/37/19/550013719.db2.gz FKQJALQFYRMITO-UHFFFAOYSA-N 2 2 358.461 1.871 20 30 FDEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000574835766 550378753 /nfs/dbraw/zinc/37/87/53/550378753.db2.gz HUEYJDFCQHVUKH-LJQANCHMSA-N 2 2 356.470 1.519 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC3CC[NH2+]CC3)CC2)cc1 ZINC000593719088 552182001 /nfs/dbraw/zinc/18/20/01/552182001.db2.gz VCALMFWJNAPJIT-UHFFFAOYSA-N 2 2 355.486 1.775 20 30 FDEDLP CC(C)(CNC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1)[NH+]1CCOCC1 ZINC000594032361 552241889 /nfs/dbraw/zinc/24/18/89/552241889.db2.gz FCRSFBNKWBDQPH-UHFFFAOYSA-N 2 2 370.497 1.754 20 30 FDEDLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000595510786 552576195 /nfs/dbraw/zinc/57/61/95/552576195.db2.gz DXHXDXGPXPJPPC-SFHVURJKSA-N 2 2 361.486 1.370 20 30 FDEDLP N#Cc1ccsc1N1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000596045315 552649226 /nfs/dbraw/zinc/64/92/26/552649226.db2.gz BQMDVKHDBQCLGT-HOTGVXAUSA-N 2 2 360.483 1.568 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000596828923 552715522 /nfs/dbraw/zinc/71/55/22/552715522.db2.gz NZWLOHZRBWULFM-GOSISDBHSA-N 2 2 351.454 1.908 20 30 FDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000598721056 552928039 /nfs/dbraw/zinc/92/80/39/552928039.db2.gz QYEGDNOUMFOLLH-MRXNPFEDSA-N 2 2 359.474 1.011 20 30 FDEDLP C[C@H](CCC#N)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000602514631 553596831 /nfs/dbraw/zinc/59/68/31/553596831.db2.gz OYJNIQYQACKOOQ-MRXNPFEDSA-N 2 2 365.503 1.063 20 30 FDEDLP COc1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)ccc1C#N ZINC000603428724 553786130 /nfs/dbraw/zinc/78/61/30/553786130.db2.gz QBWORFKTUWNRRK-LJQANCHMSA-N 2 2 358.486 1.453 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)cc3F)C2)CC1 ZINC000609639735 554407079 /nfs/dbraw/zinc/40/70/79/554407079.db2.gz MVYREWMKJZEFLL-MRXNPFEDSA-N 2 2 359.449 1.665 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)cc3F)C2)CC1 ZINC000609639735 554407080 /nfs/dbraw/zinc/40/70/80/554407080.db2.gz MVYREWMKJZEFLL-MRXNPFEDSA-N 2 2 359.449 1.665 20 30 FDEDLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN(CCC#N)CC1 ZINC000611175602 554612433 /nfs/dbraw/zinc/61/24/33/554612433.db2.gz JCLQJDXVJAVYLX-QUCCMNQESA-N 2 2 369.513 1.297 20 30 FDEDLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN(CCC#N)CC1 ZINC000611175602 554612434 /nfs/dbraw/zinc/61/24/34/554612434.db2.gz JCLQJDXVJAVYLX-QUCCMNQESA-N 2 2 369.513 1.297 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000611571501 554648118 /nfs/dbraw/zinc/64/81/18/554648118.db2.gz HHFXJUBEEFUYHL-GOSISDBHSA-N 2 2 370.497 1.561 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000611571501 554648120 /nfs/dbraw/zinc/64/81/20/554648120.db2.gz HHFXJUBEEFUYHL-GOSISDBHSA-N 2 2 370.497 1.561 20 30 FDEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000618801723 555678895 /nfs/dbraw/zinc/67/88/95/555678895.db2.gz BVAQVQJHYDGVSC-OAQYLSRUSA-N 2 2 354.498 1.932 20 30 FDEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000618801723 555678899 /nfs/dbraw/zinc/67/88/99/555678899.db2.gz BVAQVQJHYDGVSC-OAQYLSRUSA-N 2 2 354.498 1.932 20 30 FDEDLP C=CCCC(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000632424402 558151797 /nfs/dbraw/zinc/15/17/97/558151797.db2.gz LNNFHDBOLZZLDJ-UHFFFAOYSA-N 2 2 366.550 1.579 20 30 FDEDLP C=CCCC(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632424402 558151799 /nfs/dbraw/zinc/15/17/99/558151799.db2.gz LNNFHDBOLZZLDJ-UHFFFAOYSA-N 2 2 366.550 1.579 20 30 FDEDLP C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636707548 567882903 /nfs/dbraw/zinc/88/29/03/567882903.db2.gz OYZMBXSKDOPYCU-INIZCTEOSA-N 2 2 364.534 1.380 20 30 FDEDLP C=CCn1c(COC)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643280410 568487831 /nfs/dbraw/zinc/48/78/31/568487831.db2.gz NPGCLJXQMNMCOD-UHFFFAOYSA-N 2 2 362.522 1.607 20 30 FDEDLP C=CCn1c(COC)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643280410 568487832 /nfs/dbraw/zinc/48/78/32/568487832.db2.gz NPGCLJXQMNMCOD-UHFFFAOYSA-N 2 2 362.522 1.607 20 30 FDEDLP COc1ccc([C@H](CNC(=[NH2+])N2CCSCC2)[NH+](C)C)cc1OC ZINC000303774887 676542767 /nfs/dbraw/zinc/54/27/67/676542767.db2.gz GHTSITOCMARKSS-AWEZNQCLSA-N 2 2 352.504 1.670 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000328998769 676615654 /nfs/dbraw/zinc/61/56/54/676615654.db2.gz HCLFCTXBZNLYEL-WBVHZDCISA-N 2 2 357.520 1.119 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435439245 681594269 /nfs/dbraw/zinc/59/42/69/681594269.db2.gz UHYNCHBDRYLSDM-CQSZACIVSA-N 2 2 370.544 1.656 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435439245 681594271 /nfs/dbraw/zinc/59/42/71/681594271.db2.gz UHYNCHBDRYLSDM-CQSZACIVSA-N 2 2 370.544 1.656 20 30 FDEDLP C[NH+]=C(NCC1CCOCC1)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175897509 773787674 /nfs/dbraw/zinc/78/76/74/773787674.db2.gz QVVULSJIQXIGLY-UHFFFAOYSA-N 3 2 365.566 1.528 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)[N@H+](C)C1 ZINC000329007886 780368975 /nfs/dbraw/zinc/36/89/75/780368975.db2.gz ZMIOSDXNODCDSP-ROUUACIJSA-N 2 2 374.485 1.310 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)[N@@H+](C)C1 ZINC000329007886 780368985 /nfs/dbraw/zinc/36/89/85/780368985.db2.gz ZMIOSDXNODCDSP-ROUUACIJSA-N 2 2 374.485 1.310 20 30 FDEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572127 785303773 /nfs/dbraw/zinc/30/37/73/785303773.db2.gz OJEPCMNYNPHHJJ-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572127 785303785 /nfs/dbraw/zinc/30/37/85/785303785.db2.gz OJEPCMNYNPHHJJ-OTWHNJEPSA-N 2 2 365.518 1.413 20 30 FDEDLP CCN(CCC#N)C(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511813107 800299982 /nfs/dbraw/zinc/29/99/82/800299982.db2.gz BNHDKIYGXRBTFD-UHFFFAOYSA-N 2 2 371.529 1.498 20 30 FDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511813107 800299994 /nfs/dbraw/zinc/29/99/94/800299994.db2.gz BNHDKIYGXRBTFD-UHFFFAOYSA-N 2 2 371.529 1.498 20 30 FDEDLP C=CC[C@]1(C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CCC[NH2+]1 ZINC000662798115 803313742 /nfs/dbraw/zinc/31/37/42/803313742.db2.gz AJAISOVFOSVQLD-OAQYLSRUSA-N 2 2 370.497 1.988 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C(F)(F)F ZINC001112123442 810407993 /nfs/dbraw/zinc/40/79/93/810407993.db2.gz JQBUYTCPHYZRLM-MGPQQGTHSA-N 2 2 354.376 1.448 20 30 FDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000367089495 814319034 /nfs/dbraw/zinc/31/90/34/814319034.db2.gz LKKUADPYDMQETJ-SFHVURJKSA-N 2 2 351.454 1.863 20 30 FDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000367089495 814319043 /nfs/dbraw/zinc/31/90/43/814319043.db2.gz LKKUADPYDMQETJ-SFHVURJKSA-N 2 2 351.454 1.863 20 30 FDEDLP C[NH+]=C(NCC(=O)NCc1ccco1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261962842 817814067 /nfs/dbraw/zinc/81/40/67/817814067.db2.gz KQKNZYBKZIMZDU-GOEBONIOSA-N 2 2 358.446 1.251 20 30 FDEDLP [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328762639 819546335 /nfs/dbraw/zinc/54/63/35/819546335.db2.gz YWMQJWZWXONKSE-DLBZAZTESA-N 2 2 361.490 1.404 20 30 FDEDLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001088121044 826498277 /nfs/dbraw/zinc/49/82/77/826498277.db2.gz LNZMUVKUKSQSEG-MSOLQXFVSA-N 2 2 366.440 1.923 20 30 FDEDLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001088121044 826498285 /nfs/dbraw/zinc/49/82/85/826498285.db2.gz LNZMUVKUKSQSEG-MSOLQXFVSA-N 2 2 366.440 1.923 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC000985486283 827989360 /nfs/dbraw/zinc/98/93/60/827989360.db2.gz ZAONHZGHOQKTEE-JFIYKMOQSA-N 2 2 371.485 1.223 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC000985486283 827989365 /nfs/dbraw/zinc/98/93/65/827989365.db2.gz ZAONHZGHOQKTEE-JFIYKMOQSA-N 2 2 371.485 1.223 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC000985486283 827989371 /nfs/dbraw/zinc/98/93/71/827989371.db2.gz ZAONHZGHOQKTEE-JFIYKMOQSA-N 2 2 371.485 1.223 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC000985486283 827989376 /nfs/dbraw/zinc/98/93/76/827989376.db2.gz ZAONHZGHOQKTEE-JFIYKMOQSA-N 2 2 371.485 1.223 20 30 FDEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC#CCN1C(=O)c3ccccc3C1=O)C2 ZINC000528519781 829435832 /nfs/dbraw/zinc/43/58/32/829435832.db2.gz WCDMFDQKBZILNX-NRFANRHFSA-N 2 2 351.450 1.704 20 30 FDEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC#CCN1C(=O)c3ccccc3C1=O)C2 ZINC000528519781 829435839 /nfs/dbraw/zinc/43/58/39/829435839.db2.gz WCDMFDQKBZILNX-NRFANRHFSA-N 2 2 351.450 1.704 20 30 FDEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC#CCN1C(=O)c3ccccc3C1=O)C2 ZINC000528519781 829435841 /nfs/dbraw/zinc/43/58/41/829435841.db2.gz WCDMFDQKBZILNX-NRFANRHFSA-N 2 2 351.450 1.704 20 30 FDEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC#CCN1C(=O)c3ccccc3C1=O)C2 ZINC000528519781 829435847 /nfs/dbraw/zinc/43/58/47/829435847.db2.gz WCDMFDQKBZILNX-NRFANRHFSA-N 2 2 351.450 1.704 20 30 FDEDLP CN(C(=O)[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000780941847 831871055 /nfs/dbraw/zinc/87/10/55/831871055.db2.gz WGJGFVSLIWNGLV-MOPGFXCFSA-N 2 2 356.470 1.219 20 30 FDEDLP CN(C(=O)[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000780941847 831871060 /nfs/dbraw/zinc/87/10/60/831871060.db2.gz WGJGFVSLIWNGLV-MOPGFXCFSA-N 2 2 356.470 1.219 20 30 FDEDLP C[NH+]=C(NCCN1CCOCC1(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179227389 836766987 /nfs/dbraw/zinc/76/69/87/836766987.db2.gz WBBBWTIHOVJXFD-IRXDYDNUSA-N 2 2 362.522 1.452 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@@H]1O ZINC001083535716 846923052 /nfs/dbraw/zinc/92/30/52/846923052.db2.gz HTBATFKTAMULOV-AABGKKOBSA-N 2 2 361.530 1.606 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@@H]1O ZINC001083535716 846923059 /nfs/dbraw/zinc/92/30/59/846923059.db2.gz HTBATFKTAMULOV-AABGKKOBSA-N 2 2 361.530 1.606 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@@H]1O ZINC001083535716 846923064 /nfs/dbraw/zinc/92/30/64/846923064.db2.gz HTBATFKTAMULOV-AABGKKOBSA-N 2 2 361.530 1.606 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@@H]1O ZINC001083535716 846923065 /nfs/dbraw/zinc/92/30/65/846923065.db2.gz HTBATFKTAMULOV-AABGKKOBSA-N 2 2 361.530 1.606 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@@H]1O ZINC001083535912 846923969 /nfs/dbraw/zinc/92/39/69/846923969.db2.gz SXQLVNZKWDANOF-HKBOAZHASA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2CC)C[C@@H]1O ZINC001083535912 846923970 /nfs/dbraw/zinc/92/39/70/846923970.db2.gz SXQLVNZKWDANOF-HKBOAZHASA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2CC)C[C@@H]1O ZINC001083535912 846923971 /nfs/dbraw/zinc/92/39/71/846923971.db2.gz SXQLVNZKWDANOF-HKBOAZHASA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2CC)C[C@@H]1O ZINC001083535912 846923973 /nfs/dbraw/zinc/92/39/73/846923973.db2.gz SXQLVNZKWDANOF-HKBOAZHASA-N 2 2 369.509 1.050 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076574219 848448555 /nfs/dbraw/zinc/44/85/55/848448555.db2.gz BEHWJWMOGYRJKB-UONOGXRCSA-N 2 2 353.264 1.633 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076574219 848448557 /nfs/dbraw/zinc/44/85/57/848448557.db2.gz BEHWJWMOGYRJKB-UONOGXRCSA-N 2 2 353.264 1.633 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076593887 848518144 /nfs/dbraw/zinc/51/81/44/848518144.db2.gz BLUOIAYNXMIOER-HBMCJLEFSA-N 2 2 367.493 1.292 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076593887 848518151 /nfs/dbraw/zinc/51/81/51/848518151.db2.gz BLUOIAYNXMIOER-HBMCJLEFSA-N 2 2 367.493 1.292 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076593887 848518155 /nfs/dbraw/zinc/51/81/55/848518155.db2.gz BLUOIAYNXMIOER-HBMCJLEFSA-N 2 2 367.493 1.292 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076593887 848518164 /nfs/dbraw/zinc/51/81/64/848518164.db2.gz BLUOIAYNXMIOER-HBMCJLEFSA-N 2 2 367.493 1.292 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1O ZINC001077132535 849862882 /nfs/dbraw/zinc/86/28/82/849862882.db2.gz XZQCIIQRLUIRSW-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1O ZINC001077132535 849862888 /nfs/dbraw/zinc/86/28/88/849862888.db2.gz XZQCIIQRLUIRSW-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001077132535 849862892 /nfs/dbraw/zinc/86/28/92/849862892.db2.gz XZQCIIQRLUIRSW-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001077132535 849862898 /nfs/dbraw/zinc/86/28/98/849862898.db2.gz XZQCIIQRLUIRSW-VAMGGRTRSA-N 2 2 370.497 1.482 20 30 FDEDLP CC[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000158146450 864111893 /nfs/dbraw/zinc/11/18/93/864111893.db2.gz AULCFORQOSKOBA-QKLQHJQFSA-N 2 2 366.550 1.952 20 30 FDEDLP CC[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000158146450 864111899 /nfs/dbraw/zinc/11/18/99/864111899.db2.gz AULCFORQOSKOBA-QKLQHJQFSA-N 2 2 366.550 1.952 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504060 868337674 /nfs/dbraw/zinc/33/76/74/868337674.db2.gz UWJFGRQKMNMVPX-QZTJIDSGSA-N 2 2 356.470 1.094 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504060 868337681 /nfs/dbraw/zinc/33/76/81/868337681.db2.gz UWJFGRQKMNMVPX-QZTJIDSGSA-N 2 2 356.470 1.094 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106154098 871466431 /nfs/dbraw/zinc/46/64/31/871466431.db2.gz YTWRJOSILKWRMY-IAGOWNOFSA-N 2 2 358.486 1.096 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139041 885839180 /nfs/dbraw/zinc/83/91/80/885839180.db2.gz DHOGCPZWIHVSHX-MSOLQXFVSA-N 2 2 371.489 1.653 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139041 885839190 /nfs/dbraw/zinc/83/91/90/885839190.db2.gz DHOGCPZWIHVSHX-MSOLQXFVSA-N 2 2 371.489 1.653 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139599 885842797 /nfs/dbraw/zinc/84/27/97/885842797.db2.gz NSGGJXVFBYOVCZ-ZACQAIPSSA-N 2 2 357.462 1.261 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139599 885842810 /nfs/dbraw/zinc/84/28/10/885842810.db2.gz NSGGJXVFBYOVCZ-ZACQAIPSSA-N 2 2 357.462 1.261 20 30 FDEDLP Cn1nnc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000922989958 887686372 /nfs/dbraw/zinc/68/63/72/887686372.db2.gz BSNXFDBFGPKZAY-SFHVURJKSA-N 2 2 350.470 1.798 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998510 896547555 /nfs/dbraw/zinc/54/75/55/896547555.db2.gz TYQQQSCJGVYVEE-ARFHVFGLSA-N 2 2 355.446 1.244 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998510 896547567 /nfs/dbraw/zinc/54/75/67/896547567.db2.gz TYQQQSCJGVYVEE-ARFHVFGLSA-N 2 2 355.446 1.244 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998510 896547586 /nfs/dbraw/zinc/54/75/86/896547586.db2.gz TYQQQSCJGVYVEE-ARFHVFGLSA-N 2 2 355.446 1.244 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998510 896547595 /nfs/dbraw/zinc/54/75/95/896547595.db2.gz TYQQQSCJGVYVEE-ARFHVFGLSA-N 2 2 355.446 1.244 20 30 FDEDLP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079138204 902017481 /nfs/dbraw/zinc/01/74/81/902017481.db2.gz TULQWGZNKIBJBP-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001079138204 902017493 /nfs/dbraw/zinc/01/74/93/902017493.db2.gz TULQWGZNKIBJBP-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079138204 902017506 /nfs/dbraw/zinc/01/75/06/902017506.db2.gz TULQWGZNKIBJBP-NJDAHSKKSA-N 2 2 369.509 1.568 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cccc(F)c1 ZINC001079208188 902115997 /nfs/dbraw/zinc/11/59/97/902115997.db2.gz MWQYSUDGJYNUFO-RBUKOAKNSA-N 2 2 354.429 1.709 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1C ZINC001079878026 903601083 /nfs/dbraw/zinc/60/10/83/903601083.db2.gz BJSCBWNVUWYHFA-AHRSYUTCSA-N 2 2 355.482 1.729 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1C ZINC001079878026 903601084 /nfs/dbraw/zinc/60/10/84/903601084.db2.gz BJSCBWNVUWYHFA-AHRSYUTCSA-N 2 2 355.482 1.729 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(OC)c2)C[C@H]1C ZINC001079878026 903601086 /nfs/dbraw/zinc/60/10/86/903601086.db2.gz BJSCBWNVUWYHFA-AHRSYUTCSA-N 2 2 355.482 1.729 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(OC)c2)C[C@H]1C ZINC001079878026 903601088 /nfs/dbraw/zinc/60/10/88/903601088.db2.gz BJSCBWNVUWYHFA-AHRSYUTCSA-N 2 2 355.482 1.729 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371451 907238889 /nfs/dbraw/zinc/23/88/89/907238889.db2.gz JULWLVWXAMABAX-QZTJIDSGSA-N 2 2 371.416 1.218 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371451 907238914 /nfs/dbraw/zinc/23/89/14/907238914.db2.gz JULWLVWXAMABAX-QZTJIDSGSA-N 2 2 371.416 1.218 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082604430 908926194 /nfs/dbraw/zinc/92/61/94/908926194.db2.gz PEDOAUUIIXXXTE-XFQXTVEOSA-N 2 2 363.465 1.954 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001082664007 909405801 /nfs/dbraw/zinc/40/58/01/909405801.db2.gz RQBUTDPQQGBJON-XYPHTWIQSA-N 2 2 355.910 1.676 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001082664007 909405803 /nfs/dbraw/zinc/40/58/03/909405803.db2.gz RQBUTDPQQGBJON-XYPHTWIQSA-N 2 2 355.910 1.676 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082658931 909427774 /nfs/dbraw/zinc/42/77/74/909427774.db2.gz IXKOVWKQENMHAG-CZUORRHYSA-N 2 2 357.483 1.923 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C)nc3C)[C@H]2C1 ZINC001084960937 918905442 /nfs/dbraw/zinc/90/54/42/918905442.db2.gz ABKFJBYSCVLHAW-HOJAQTOUSA-N 2 2 369.513 1.249 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C)nc3C)[C@H]2C1 ZINC001084960937 918905449 /nfs/dbraw/zinc/90/54/49/918905449.db2.gz ABKFJBYSCVLHAW-HOJAQTOUSA-N 2 2 369.513 1.249 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cn(C)nc3C)[C@H]2C1 ZINC001084960937 918905462 /nfs/dbraw/zinc/90/54/62/918905462.db2.gz ABKFJBYSCVLHAW-HOJAQTOUSA-N 2 2 369.513 1.249 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cn(C)nc3C)[C@H]2C1 ZINC001084960937 918905465 /nfs/dbraw/zinc/90/54/65/918905465.db2.gz ABKFJBYSCVLHAW-HOJAQTOUSA-N 2 2 369.513 1.249 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccnc3C)[C@H]2C1 ZINC001084961293 918910206 /nfs/dbraw/zinc/91/02/06/918910206.db2.gz ZHXRCCUUHWEKMW-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3nccnc3C)[C@H]2C1 ZINC001084961293 918910212 /nfs/dbraw/zinc/91/02/12/918910212.db2.gz ZHXRCCUUHWEKMW-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3nccnc3C)[C@H]2C1 ZINC001084961293 918910219 /nfs/dbraw/zinc/91/02/19/918910219.db2.gz ZHXRCCUUHWEKMW-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3nccnc3C)[C@H]2C1 ZINC001084961293 918910220 /nfs/dbraw/zinc/91/02/20/918910220.db2.gz ZHXRCCUUHWEKMW-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)o4)[C@H]3C2)CC1 ZINC001085100685 920915712 /nfs/dbraw/zinc/91/57/12/920915712.db2.gz XAHVTVPGDUVMIJ-AEFFLSMTSA-N 2 2 371.485 1.146 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)o4)[C@H]3C2)CC1 ZINC001085100685 920915714 /nfs/dbraw/zinc/91/57/14/920915714.db2.gz XAHVTVPGDUVMIJ-AEFFLSMTSA-N 2 2 371.485 1.146 20 30 FDEDLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001085105778 920976766 /nfs/dbraw/zinc/97/67/66/920976766.db2.gz FEZZXWNEWAIPPU-QUCCMNQESA-N 2 2 366.440 1.997 20 30 FDEDLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001085105778 920976775 /nfs/dbraw/zinc/97/67/75/920976775.db2.gz FEZZXWNEWAIPPU-QUCCMNQESA-N 2 2 366.440 1.997 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)cn1 ZINC001085229834 922983345 /nfs/dbraw/zinc/98/33/45/922983345.db2.gz MPCHWDGPNJEMQQ-KURKYZTESA-N 2 2 355.486 1.400 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)cn1 ZINC001085229834 922983348 /nfs/dbraw/zinc/98/33/48/922983348.db2.gz MPCHWDGPNJEMQQ-KURKYZTESA-N 2 2 355.486 1.400 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109709509 930183587 /nfs/dbraw/zinc/18/35/87/930183587.db2.gz NFOHQSPMANDODG-QZWWFDLISA-N 2 2 350.507 1.131 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109709509 930183589 /nfs/dbraw/zinc/18/35/89/930183589.db2.gz NFOHQSPMANDODG-QZWWFDLISA-N 2 2 350.507 1.131 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109719294 930241505 /nfs/dbraw/zinc/24/15/05/930241505.db2.gz BTYQAOXNNIQIMA-AYBZRNKSSA-N 2 2 374.485 1.808 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109719294 930241506 /nfs/dbraw/zinc/24/15/06/930241506.db2.gz BTYQAOXNNIQIMA-AYBZRNKSSA-N 2 2 374.485 1.808 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109977716 930937188 /nfs/dbraw/zinc/93/71/88/930937188.db2.gz WMTBJMOOXLNMDL-NEWSRXKRSA-N 2 2 374.460 1.497 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109977716 930937190 /nfs/dbraw/zinc/93/71/90/930937190.db2.gz WMTBJMOOXLNMDL-NEWSRXKRSA-N 2 2 374.460 1.497 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1c1ccccc1 ZINC001086593418 933835384 /nfs/dbraw/zinc/83/53/84/933835384.db2.gz VEFCBMROHJAYMP-ZCNNSNEGSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1c1ccccc1 ZINC001086593418 933835388 /nfs/dbraw/zinc/83/53/88/933835388.db2.gz VEFCBMROHJAYMP-ZCNNSNEGSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1c1ccccc1 ZINC001086593418 933835394 /nfs/dbraw/zinc/83/53/94/933835394.db2.gz VEFCBMROHJAYMP-ZCNNSNEGSA-N 2 2 355.482 1.315 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1c1ccccc1 ZINC001086593418 933835399 /nfs/dbraw/zinc/83/53/99/933835399.db2.gz VEFCBMROHJAYMP-ZCNNSNEGSA-N 2 2 355.482 1.315 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461260 938436300 /nfs/dbraw/zinc/43/63/00/938436300.db2.gz SSDVCTWDHWKQMK-CEXWTWQISA-N 2 2 368.485 1.499 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129461260 938436301 /nfs/dbraw/zinc/43/63/01/938436301.db2.gz SSDVCTWDHWKQMK-CEXWTWQISA-N 2 2 368.485 1.499 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129887888 938540614 /nfs/dbraw/zinc/54/06/14/938540614.db2.gz WCKAIOYFHMTCTN-MSOLQXFVSA-N 2 2 371.489 1.722 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129887888 938540616 /nfs/dbraw/zinc/54/06/16/938540616.db2.gz WCKAIOYFHMTCTN-MSOLQXFVSA-N 2 2 371.489 1.722 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719178 940022090 /nfs/dbraw/zinc/02/20/90/940022090.db2.gz BFMOXDYAEXPLLL-SIXWZSSISA-N 2 2 370.501 1.933 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739807 940041452 /nfs/dbraw/zinc/04/14/52/940041452.db2.gz OZOCJRCVKIBRJR-FUHWJXTLSA-N 2 2 356.474 1.557 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1cncn1C ZINC001131015409 940448591 /nfs/dbraw/zinc/44/85/91/940448591.db2.gz WHLUKEIFRVPETR-IAGOWNOFSA-N 2 2 368.485 1.268 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001131522738 940706505 /nfs/dbraw/zinc/70/65/05/940706505.db2.gz WOWHDNKOBAXAIB-SXLOBPIMSA-N 2 2 370.497 1.455 20 30 FDEDLP C[C@@H](COc1ccccc1)N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000811664498 941149405 /nfs/dbraw/zinc/14/94/05/941149405.db2.gz FKDJJTZMKWYHPL-INIZCTEOSA-N 2 2 354.458 1.619 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001134049896 941538128 /nfs/dbraw/zinc/53/81/28/941538128.db2.gz SXPSPWKFVHGBBS-IAGOWNOFSA-N 2 2 356.857 1.935 20 30 FDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000819108768 943431547 /nfs/dbraw/zinc/43/15/47/943431547.db2.gz NHEVNTNQBPPVMO-FQEVSTJZSA-N 2 2 359.518 1.517 20 30 FDEDLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NC3(C#N)CCC3)C2)ccn1 ZINC000856585098 971236001 /nfs/dbraw/zinc/23/60/01/971236001.db2.gz ZBYFEKVAOAIVMS-GOSISDBHSA-N 2 2 371.485 1.549 20 30 FDEDLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NC3(C#N)CCC3)C2)ccn1 ZINC000856585098 971236008 /nfs/dbraw/zinc/23/60/08/971236008.db2.gz ZBYFEKVAOAIVMS-GOSISDBHSA-N 2 2 371.485 1.549 20 30 FDEDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCC3)C2)ccn1 ZINC000856585098 971236018 /nfs/dbraw/zinc/23/60/18/971236018.db2.gz ZBYFEKVAOAIVMS-GOSISDBHSA-N 2 2 371.485 1.549 20 30 FDEDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)ccn1 ZINC000856585098 971236027 /nfs/dbraw/zinc/23/60/27/971236027.db2.gz ZBYFEKVAOAIVMS-GOSISDBHSA-N 2 2 371.485 1.549 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccc(C#N)cn4)C3)O2)CC1 ZINC001144158828 948303036 /nfs/dbraw/zinc/30/30/36/948303036.db2.gz QYRWZVJLOGOHHW-NHCUHLMSSA-N 2 2 369.513 1.714 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc(C#N)cn4)C3)O2)CC1 ZINC001144158828 948303042 /nfs/dbraw/zinc/30/30/42/948303042.db2.gz QYRWZVJLOGOHHW-NHCUHLMSSA-N 2 2 369.513 1.714 20 30 FDEDLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccc(C#N)cn4)C3)O2)CC1 ZINC001144158828 948303053 /nfs/dbraw/zinc/30/30/53/948303053.db2.gz QYRWZVJLOGOHHW-NHCUHLMSSA-N 2 2 369.513 1.714 20 30 FDEDLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc(C#N)cn4)C3)O2)CC1 ZINC001144158828 948303061 /nfs/dbraw/zinc/30/30/61/948303061.db2.gz QYRWZVJLOGOHHW-NHCUHLMSSA-N 2 2 369.513 1.714 20 30 FDEDLP C[NH+](C)CCOc1cc(NC(=[NH2+])c2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-] ZINC001171258525 951725429 /nfs/dbraw/zinc/72/54/29/951725429.db2.gz BSXHJAQCXAQBQE-UHFFFAOYSA-N 2 2 371.397 1.671 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947063 953813453 /nfs/dbraw/zinc/81/34/53/953813453.db2.gz YECWSMRGKCDNNT-QFUCXCTJSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947063 953813465 /nfs/dbraw/zinc/81/34/65/953813465.db2.gz YECWSMRGKCDNNT-QFUCXCTJSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947063 953813473 /nfs/dbraw/zinc/81/34/73/953813473.db2.gz YECWSMRGKCDNNT-QFUCXCTJSA-N 2 2 359.514 1.433 20 30 FDEDLP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947063 953813490 /nfs/dbraw/zinc/81/34/90/953813490.db2.gz YECWSMRGKCDNNT-QFUCXCTJSA-N 2 2 359.514 1.433 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952037 953830639 /nfs/dbraw/zinc/83/06/39/953830639.db2.gz DAIAKXAPGJWEMV-RYRKJORJSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952037 953830653 /nfs/dbraw/zinc/83/06/53/953830653.db2.gz DAIAKXAPGJWEMV-RYRKJORJSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952037 953830677 /nfs/dbraw/zinc/83/06/77/953830677.db2.gz DAIAKXAPGJWEMV-RYRKJORJSA-N 2 2 355.910 1.628 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952037 953830685 /nfs/dbraw/zinc/83/06/85/953830685.db2.gz DAIAKXAPGJWEMV-RYRKJORJSA-N 2 2 355.910 1.628 20 30 FDEDLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)C ZINC001197025980 972066789 /nfs/dbraw/zinc/06/67/89/972066789.db2.gz VRMRQBDIUOHMON-NJDAHSKKSA-N 2 2 371.525 1.566 20 30 FDEDLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)C ZINC001197025980 972066792 /nfs/dbraw/zinc/06/67/92/972066792.db2.gz VRMRQBDIUOHMON-NJDAHSKKSA-N 2 2 371.525 1.566 20 30 FDEDLP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1C#N ZINC001094133150 959857144 /nfs/dbraw/zinc/85/71/44/959857144.db2.gz WTSAXIKMVKIXII-RHSMWYFYSA-N 2 2 367.453 1.717 20 30 FDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCC[NH+]3CC3CCC3)CCC[C@@H]12 ZINC001094477972 960650018 /nfs/dbraw/zinc/65/00/18/960650018.db2.gz NLKXHMHQBQXNMH-SFHLNBCPSA-N 2 2 359.514 1.481 20 30 FDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3COCC[NH+]3CC3CCC3)CCC[C@@H]12 ZINC001094477972 960650027 /nfs/dbraw/zinc/65/00/27/960650027.db2.gz NLKXHMHQBQXNMH-SFHLNBCPSA-N 2 2 359.514 1.481 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3COCC[N@@H+]3CC3CCC3)CCC[C@@H]12 ZINC001094477972 960650040 /nfs/dbraw/zinc/65/00/40/960650040.db2.gz NLKXHMHQBQXNMH-SFHLNBCPSA-N 2 2 359.514 1.481 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3COCC[N@H+]3CC3CCC3)CCC[C@@H]12 ZINC001094477972 960650044 /nfs/dbraw/zinc/65/00/44/960650044.db2.gz NLKXHMHQBQXNMH-SFHLNBCPSA-N 2 2 359.514 1.481 20 30 FDEDLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001172886568 961818547 /nfs/dbraw/zinc/81/85/47/961818547.db2.gz ITTQUCRHMAMABY-UHFFFAOYSA-N 2 2 360.458 1.297 20 30 FDEDLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838720 963304112 /nfs/dbraw/zinc/30/41/12/963304112.db2.gz LHNYJNMVLFCODM-SFHVURJKSA-N 2 2 364.453 1.696 20 30 FDEDLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838720 963304125 /nfs/dbraw/zinc/30/41/25/963304125.db2.gz LHNYJNMVLFCODM-SFHVURJKSA-N 2 2 364.453 1.696 20 30 FDEDLP CCN1CC[NH+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852872106 967678793 /nfs/dbraw/zinc/67/87/93/967678793.db2.gz BDCOJMAJAGLMID-UHFFFAOYSA-N 2 2 354.498 1.766 20 30 FDEDLP C=C(Cl)C[C@@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000865301427 974220013 /nfs/dbraw/zinc/22/00/13/974220013.db2.gz LVYDICIRIZXSCV-HNNXBMFYSA-N 2 2 354.882 1.608 20 30 FDEDLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc1 ZINC000867997958 977181535 /nfs/dbraw/zinc/18/15/35/977181535.db2.gz MYPKDYWBWBOFLY-OALUTQOASA-N 2 2 358.486 1.723 20 30 FDEDLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc1 ZINC000867997958 977181540 /nfs/dbraw/zinc/18/15/40/977181540.db2.gz MYPKDYWBWBOFLY-OALUTQOASA-N 2 2 358.486 1.723 20 30 FDEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884315446 983077033 /nfs/dbraw/zinc/07/70/33/983077033.db2.gz PDWNUAIJOJFFST-HVEKOLDVSA-N 2 2 355.442 1.305 20 30 FDEDLP CC[NH+]1CCN(c2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2F)CC1 ZINC000872239477 987536887 /nfs/dbraw/zinc/53/68/87/987536887.db2.gz IKIFTAXYZFBOJD-QGZVFWFLSA-N 2 2 363.481 1.586 20 30 FDEDLP CC[NH+]1CCN(c2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2F)CC1 ZINC000872239477 987536890 /nfs/dbraw/zinc/53/68/90/987536890.db2.gz IKIFTAXYZFBOJD-QGZVFWFLSA-N 2 2 363.481 1.586 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000363572730 989314216 /nfs/dbraw/zinc/31/42/16/989314216.db2.gz IVBUXZSZCRRPCL-MRXNPFEDSA-N 2 2 359.449 1.665 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000363572730 989314223 /nfs/dbraw/zinc/31/42/23/989314223.db2.gz IVBUXZSZCRRPCL-MRXNPFEDSA-N 2 2 359.449 1.665 20 30 FDEDLP C(#CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000364963660 989919106 /nfs/dbraw/zinc/91/91/06/989919106.db2.gz QVARZCDTCYGKAJ-FGZHOGPDSA-N 3 2 358.574 1.825 20 30 FDEDLP C(#CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000364963660 989919112 /nfs/dbraw/zinc/91/91/12/989919112.db2.gz QVARZCDTCYGKAJ-FGZHOGPDSA-N 3 2 358.574 1.825 20 30 FDEDLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000371540474 990512326 /nfs/dbraw/zinc/51/23/26/990512326.db2.gz YANWNPOREUUOCH-MOPGFXCFSA-N 2 2 351.454 1.912 20 30 FDEDLP Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000371540474 990512337 /nfs/dbraw/zinc/51/23/37/990512337.db2.gz YANWNPOREUUOCH-MOPGFXCFSA-N 2 2 351.454 1.912 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000876709584 992814753 /nfs/dbraw/zinc/81/47/53/992814753.db2.gz VHLQNZLYVQZDCB-PKOBYXMFSA-N 2 2 354.454 1.068 20 30 FDEDLP CN(CCC#N)C(=O)CC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374747152 992934983 /nfs/dbraw/zinc/93/49/83/992934983.db2.gz DBQARUJBRFYCEF-UHFFFAOYSA-N 2 2 357.502 1.782 20 30 FDEDLP CN(CCC#N)C(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374747152 992934991 /nfs/dbraw/zinc/93/49/91/992934991.db2.gz DBQARUJBRFYCEF-UHFFFAOYSA-N 2 2 357.502 1.782 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001095555601 993426061 /nfs/dbraw/zinc/42/60/61/993426061.db2.gz UZZVBHZTFMJRSO-ANULTFPQSA-N 2 2 362.477 1.877 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001095555601 993426068 /nfs/dbraw/zinc/42/60/68/993426068.db2.gz UZZVBHZTFMJRSO-ANULTFPQSA-N 2 2 362.477 1.877 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001095555601 993426081 /nfs/dbraw/zinc/42/60/81/993426081.db2.gz UZZVBHZTFMJRSO-ANULTFPQSA-N 2 2 362.477 1.877 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001095555601 993426092 /nfs/dbraw/zinc/42/60/92/993426092.db2.gz UZZVBHZTFMJRSO-ANULTFPQSA-N 2 2 362.477 1.877 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1 ZINC001095556164 993432159 /nfs/dbraw/zinc/43/21/59/993432159.db2.gz BAZYWQRZHBDAOH-QZWWFDLISA-N 2 2 351.441 1.851 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1 ZINC001095556164 993432176 /nfs/dbraw/zinc/43/21/76/993432176.db2.gz BAZYWQRZHBDAOH-QZWWFDLISA-N 2 2 351.441 1.851 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(F)(F)C1 ZINC001095556164 993432194 /nfs/dbraw/zinc/43/21/94/993432194.db2.gz BAZYWQRZHBDAOH-QZWWFDLISA-N 2 2 351.441 1.851 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(F)(F)C1 ZINC001095556164 993432202 /nfs/dbraw/zinc/43/22/02/993432202.db2.gz BAZYWQRZHBDAOH-QZWWFDLISA-N 2 2 351.441 1.851 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccns1 ZINC001095556260 993432614 /nfs/dbraw/zinc/43/26/14/993432614.db2.gz IFEKZLLKENSPPQ-UBDQQSCGSA-N 2 2 358.511 1.505 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccns1 ZINC001095556260 993432625 /nfs/dbraw/zinc/43/26/25/993432625.db2.gz IFEKZLLKENSPPQ-UBDQQSCGSA-N 2 2 358.511 1.505 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1ccns1 ZINC001095556260 993432636 /nfs/dbraw/zinc/43/26/36/993432636.db2.gz IFEKZLLKENSPPQ-UBDQQSCGSA-N 2 2 358.511 1.505 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCc1ccns1 ZINC001095556260 993432648 /nfs/dbraw/zinc/43/26/48/993432648.db2.gz IFEKZLLKENSPPQ-UBDQQSCGSA-N 2 2 358.511 1.505 20 30 FDEDLP C=CCOC[C@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925328543 995499046 /nfs/dbraw/zinc/49/90/46/995499046.db2.gz ZFILCKSRDBMGAN-MRXNPFEDSA-N 2 2 364.490 1.060 20 30 FDEDLP [NH2+]=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCOCC1 ZINC000104173157 998314091 /nfs/dbraw/zinc/31/40/91/998314091.db2.gz AQPQGNASHNVOJR-UHFFFAOYSA-N 2 2 359.518 1.231 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001111277327 1002471641 /nfs/dbraw/zinc/47/16/41/1002471641.db2.gz MBRSUROKEWQTHV-AQNXPRMDSA-N 2 2 373.472 1.477 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001111277327 1002471652 /nfs/dbraw/zinc/47/16/52/1002471652.db2.gz MBRSUROKEWQTHV-AQNXPRMDSA-N 2 2 373.472 1.477 20 30 FDEDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000528728824 539779874 /nfs/dbraw/zinc/77/98/74/539779874.db2.gz LDLOBGWQKCKVIR-SFHVURJKSA-N 2 2 359.470 1.485 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132919 540814151 /nfs/dbraw/zinc/81/41/51/540814151.db2.gz FJMIOMUPCAIZRL-VQIMIIECSA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132919 540814152 /nfs/dbraw/zinc/81/41/52/540814152.db2.gz FJMIOMUPCAIZRL-VQIMIIECSA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000538132919 540814153 /nfs/dbraw/zinc/81/41/53/540814153.db2.gz FJMIOMUPCAIZRL-VQIMIIECSA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538132919 540814154 /nfs/dbraw/zinc/81/41/54/540814154.db2.gz FJMIOMUPCAIZRL-VQIMIIECSA-N 2 2 351.539 1.387 20 30 FDEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859252 172033877 /nfs/dbraw/zinc/03/38/77/172033877.db2.gz QYANZXYDCFFIHN-KRWDZBQOSA-N 2 2 356.470 1.931 20 30 FDEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859252 172033878 /nfs/dbraw/zinc/03/38/78/172033878.db2.gz QYANZXYDCFFIHN-KRWDZBQOSA-N 2 2 356.470 1.931 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000141563983 173376588 /nfs/dbraw/zinc/37/65/88/173376588.db2.gz UKEHQVDEAJVPRI-SFHVURJKSA-N 2 2 369.469 1.125 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000141563983 173376590 /nfs/dbraw/zinc/37/65/90/173376590.db2.gz UKEHQVDEAJVPRI-SFHVURJKSA-N 2 2 369.469 1.125 20 30 FDEDLP C[C@H]1C[NH+]=C(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)S1 ZINC000177216848 174115104 /nfs/dbraw/zinc/11/51/04/174115104.db2.gz KWDVHKHVDPDHBI-AWEZNQCLSA-N 2 2 357.483 1.996 20 30 FDEDLP COCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000179995793 258361066 /nfs/dbraw/zinc/36/10/66/258361066.db2.gz SQJFIHRURWGGOQ-LJQANCHMSA-N 2 2 356.470 1.754 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CNc3ccc(C#N)cn3)c2)CC1 ZINC000601805290 491950177 /nfs/dbraw/zinc/95/01/77/491950177.db2.gz NADOVJNJDYNDND-UHFFFAOYSA-N 2 2 351.414 1.151 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000057154322 522015504 /nfs/dbraw/zinc/01/55/04/522015504.db2.gz UAFYYZFZMDYKAB-FQEVSTJZSA-N 2 2 355.482 1.521 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000046528041 522316607 /nfs/dbraw/zinc/31/66/07/522316607.db2.gz USRKKYKVGDYHSD-LJQANCHMSA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC000046528041 522316616 /nfs/dbraw/zinc/31/66/16/522316616.db2.gz USRKKYKVGDYHSD-LJQANCHMSA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000046528041 522316627 /nfs/dbraw/zinc/31/66/27/522316627.db2.gz USRKKYKVGDYHSD-LJQANCHMSA-N 2 2 358.486 1.463 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000046528041 522316635 /nfs/dbraw/zinc/31/66/35/522316635.db2.gz USRKKYKVGDYHSD-LJQANCHMSA-N 2 2 358.486 1.463 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC000066920861 523265236 /nfs/dbraw/zinc/26/52/36/523265236.db2.gz KQEWYNNTWNJBAS-NRFANRHFSA-N 2 2 369.509 1.830 20 30 FDEDLP CC[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160080366 524803259 /nfs/dbraw/zinc/80/32/59/524803259.db2.gz CZNHHONIQYUEFU-HOTGVXAUSA-N 2 2 370.505 1.860 20 30 FDEDLP COCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000114455844 524806111 /nfs/dbraw/zinc/80/61/11/524806111.db2.gz KJPFPCBBLCUFFN-UHFFFAOYSA-N 2 2 372.513 1.996 20 30 FDEDLP COCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000114455844 524806119 /nfs/dbraw/zinc/80/61/19/524806119.db2.gz KJPFPCBBLCUFFN-UHFFFAOYSA-N 2 2 372.513 1.996 20 30 FDEDLP C=CCc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc(OC)c1O ZINC000093821061 525001823 /nfs/dbraw/zinc/00/18/23/525001823.db2.gz BZWBITWBNFHBGW-SFHVURJKSA-N 2 2 373.497 1.868 20 30 FDEDLP C=CCc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc(OC)c1O ZINC000093821061 525001829 /nfs/dbraw/zinc/00/18/29/525001829.db2.gz BZWBITWBNFHBGW-SFHVURJKSA-N 2 2 373.497 1.868 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000118834420 525554300 /nfs/dbraw/zinc/55/43/00/525554300.db2.gz BUTMQNBLCNGSPW-VQTJNVASSA-N 2 2 367.497 1.375 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000118834420 525554305 /nfs/dbraw/zinc/55/43/05/525554305.db2.gz BUTMQNBLCNGSPW-VQTJNVASSA-N 2 2 367.497 1.375 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1c[nH+]ccc1OC)C(C)C ZINC000119559947 525786073 /nfs/dbraw/zinc/78/60/73/525786073.db2.gz QDGNUYDVGUHUTA-MRXNPFEDSA-N 2 2 360.458 1.844 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119633339 525809402 /nfs/dbraw/zinc/80/94/02/525809402.db2.gz IMHKIBNOUISSHU-HTUJPFKRSA-N 2 2 361.534 1.237 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119633339 525809414 /nfs/dbraw/zinc/80/94/14/525809414.db2.gz IMHKIBNOUISSHU-HTUJPFKRSA-N 2 2 361.534 1.237 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119633339 525809422 /nfs/dbraw/zinc/80/94/22/525809422.db2.gz IMHKIBNOUISSHU-HTUJPFKRSA-N 2 2 361.534 1.237 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119633339 525809433 /nfs/dbraw/zinc/80/94/33/525809433.db2.gz IMHKIBNOUISSHU-HTUJPFKRSA-N 2 2 361.534 1.237 20 30 FDEDLP CC(C)c1nnc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000132178079 525944727 /nfs/dbraw/zinc/94/47/27/525944727.db2.gz HWNPGCYMWMAUPQ-UHFFFAOYSA-N 2 2 373.457 1.987 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000171553494 526031068 /nfs/dbraw/zinc/03/10/68/526031068.db2.gz XBCCXAHZDCYFOY-UHFFFAOYSA-N 2 2 373.501 1.758 20 30 FDEDLP N#Cc1cccc(OCCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000156095790 526054213 /nfs/dbraw/zinc/05/42/13/526054213.db2.gz RMUCWVUPLKBFTA-UHFFFAOYSA-N 2 2 356.470 1.567 20 30 FDEDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000290188085 537284819 /nfs/dbraw/zinc/28/48/19/537284819.db2.gz ZTQOOEFQMPSMPW-UHFFFAOYSA-N 2 2 352.398 1.904 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274850729 537534016 /nfs/dbraw/zinc/53/40/16/537534016.db2.gz QWCOQUAIVAKXKM-RYRKJORJSA-N 2 2 358.486 1.887 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274850729 537534021 /nfs/dbraw/zinc/53/40/21/537534021.db2.gz QWCOQUAIVAKXKM-RYRKJORJSA-N 2 2 358.486 1.887 20 30 FDEDLP C[C@H](CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000329955586 537647536 /nfs/dbraw/zinc/64/75/36/537647536.db2.gz KUHDBFNNQDGHTP-IAGOWNOFSA-N 2 2 362.522 1.743 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330513597 537657957 /nfs/dbraw/zinc/65/79/57/537657957.db2.gz CTRSWZURMNITHF-MLYOOKFZSA-N 2 2 363.550 1.387 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330513597 537657960 /nfs/dbraw/zinc/65/79/60/537657960.db2.gz CTRSWZURMNITHF-MLYOOKFZSA-N 2 2 363.550 1.387 20 30 FDEDLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1 ZINC000424178870 538250636 /nfs/dbraw/zinc/25/06/36/538250636.db2.gz XPOXJSCXNUNXQD-SFHVURJKSA-N 2 2 360.458 1.239 20 30 FDEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000569932051 549099652 /nfs/dbraw/zinc/09/96/52/549099652.db2.gz USSPAHGNYDVMCL-HXUWFJFHSA-N 2 2 357.502 1.549 20 30 FDEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000570812520 549421731 /nfs/dbraw/zinc/42/17/31/549421731.db2.gz BUVQOTSRQGOOJX-IBGZPJMESA-N 2 2 374.485 1.148 20 30 FDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000570812520 549421735 /nfs/dbraw/zinc/42/17/35/549421735.db2.gz BUVQOTSRQGOOJX-IBGZPJMESA-N 2 2 374.485 1.148 20 30 FDEDLP C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000578940025 550817360 /nfs/dbraw/zinc/81/73/60/550817360.db2.gz XNJMZKGDXZMEOW-UHFFFAOYSA-N 2 2 371.485 1.892 20 30 FDEDLP C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000578940025 550817361 /nfs/dbraw/zinc/81/73/61/550817361.db2.gz XNJMZKGDXZMEOW-UHFFFAOYSA-N 2 2 371.485 1.892 20 30 FDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000579919530 550923130 /nfs/dbraw/zinc/92/31/30/550923130.db2.gz CQWYKZLHHVQMEX-MOPGFXCFSA-N 2 2 371.481 1.199 20 30 FDEDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000581632592 551114403 /nfs/dbraw/zinc/11/44/03/551114403.db2.gz ZXRVJBUCBXHJME-HOTGVXAUSA-N 2 2 364.515 1.685 20 30 FDEDLP CS(=O)(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000581948304 551154580 /nfs/dbraw/zinc/15/45/80/551154580.db2.gz GZDKECQEHNDSNB-GOSISDBHSA-N 2 2 362.499 1.146 20 30 FDEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000583441420 551352297 /nfs/dbraw/zinc/35/22/97/551352297.db2.gz ATUJZAUAOGSFFE-UHFFFAOYSA-N 2 2 367.501 1.591 20 30 FDEDLP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583688527 551387957 /nfs/dbraw/zinc/38/79/57/551387957.db2.gz NLTVPFSWVNOGNC-MRXNPFEDSA-N 2 2 350.488 1.294 20 30 FDEDLP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000583688527 551387958 /nfs/dbraw/zinc/38/79/58/551387958.db2.gz NLTVPFSWVNOGNC-MRXNPFEDSA-N 2 2 350.488 1.294 20 30 FDEDLP C[C@@H]1C[N@H+](CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCO1 ZINC000591763560 551906867 /nfs/dbraw/zinc/90/68/67/551906867.db2.gz FBUQTXLDXCDBSK-MRXNPFEDSA-N 2 2 365.499 1.422 20 30 FDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCO1 ZINC000591763560 551906869 /nfs/dbraw/zinc/90/68/69/551906869.db2.gz FBUQTXLDXCDBSK-MRXNPFEDSA-N 2 2 365.499 1.422 20 30 FDEDLP Cn1nnc2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000594522969 552327216 /nfs/dbraw/zinc/32/72/16/552327216.db2.gz UFHRPDRNUOMSRV-GOSISDBHSA-N 2 2 350.470 1.798 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(CC#N)c1 ZINC000594803030 552390863 /nfs/dbraw/zinc/39/08/63/552390863.db2.gz ITMYVNGWUMEUOW-HNNXBMFYSA-N 2 2 352.504 1.303 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(CC#N)c1 ZINC000594803030 552390865 /nfs/dbraw/zinc/39/08/65/552390865.db2.gz ITMYVNGWUMEUOW-HNNXBMFYSA-N 2 2 352.504 1.303 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000595110222 552453947 /nfs/dbraw/zinc/45/39/47/552453947.db2.gz YXUPXTVAFVSBNU-ZDUSSCGKSA-N 2 2 363.437 1.024 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000595110222 552453948 /nfs/dbraw/zinc/45/39/48/552453948.db2.gz YXUPXTVAFVSBNU-ZDUSSCGKSA-N 2 2 363.437 1.024 20 30 FDEDLP CC(C)[C@@H](C#N)N1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602794111 553640286 /nfs/dbraw/zinc/64/02/86/553640286.db2.gz FNWIVHNFYCYSDK-NHCUHLMSSA-N 2 2 356.514 1.789 20 30 FDEDLP CN(CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O ZINC000611438114 554633422 /nfs/dbraw/zinc/63/34/22/554633422.db2.gz DWJGDTRWBMTHSC-UHFFFAOYSA-N 2 2 364.515 1.394 20 30 FDEDLP CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613856923 554980604 /nfs/dbraw/zinc/98/06/04/554980604.db2.gz DQAVQIKDOZNNCK-IBGZPJMESA-N 2 2 355.486 1.868 20 30 FDEDLP CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613856923 554980606 /nfs/dbraw/zinc/98/06/06/554980606.db2.gz DQAVQIKDOZNNCK-IBGZPJMESA-N 2 2 355.486 1.868 20 30 FDEDLP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158632096 671981721 /nfs/dbraw/zinc/98/17/21/671981721.db2.gz YWPLUTVKIOXIFF-HOTGVXAUSA-N 2 2 372.579 1.581 20 30 FDEDLP CC[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158632096 671981724 /nfs/dbraw/zinc/98/17/24/671981724.db2.gz YWPLUTVKIOXIFF-HOTGVXAUSA-N 2 2 372.579 1.581 20 30 FDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262784779 672849495 /nfs/dbraw/zinc/84/94/95/672849495.db2.gz MBJWSRYKJPWDPJ-KRWDZBQOSA-N 3 2 353.580 1.561 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccccc1 ZINC000264063423 672899675 /nfs/dbraw/zinc/89/96/75/672899675.db2.gz AEGKYJJSRIBZCZ-HNNXBMFYSA-N 2 2 352.504 1.239 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccccc1 ZINC000264063423 672899677 /nfs/dbraw/zinc/89/96/77/672899677.db2.gz AEGKYJJSRIBZCZ-HNNXBMFYSA-N 2 2 352.504 1.239 20 30 FDEDLP Cc1[nH+]c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ccc1CC#N ZINC001165009968 721745723 /nfs/dbraw/zinc/74/57/23/721745723.db2.gz KKGGHWFBPREZFN-UHFFFAOYSA-N 2 2 355.486 1.979 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C)o2)C1 ZINC001104306249 774441965 /nfs/dbraw/zinc/44/19/65/774441965.db2.gz SWYPJSJMZHLVGX-OIISXLGYSA-N 2 2 359.474 1.050 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnc(C)o2)C1 ZINC001104306249 774441968 /nfs/dbraw/zinc/44/19/68/774441968.db2.gz SWYPJSJMZHLVGX-OIISXLGYSA-N 2 2 359.474 1.050 20 30 FDEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345793 776039972 /nfs/dbraw/zinc/03/99/72/776039972.db2.gz UCKUNQKJBPYYNO-SJLPKXTDSA-N 2 2 360.502 1.651 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3C#N)C2)O1 ZINC000971782440 779073238 /nfs/dbraw/zinc/07/32/38/779073238.db2.gz WAPGLKKLDIEUFE-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3C#N)C2)O1 ZINC000971782440 779073246 /nfs/dbraw/zinc/07/32/46/779073246.db2.gz WAPGLKKLDIEUFE-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)O1 ZINC000971782440 779073251 /nfs/dbraw/zinc/07/32/51/779073251.db2.gz WAPGLKKLDIEUFE-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)O1 ZINC000971782440 779073254 /nfs/dbraw/zinc/07/32/54/779073254.db2.gz WAPGLKKLDIEUFE-ATZDWAIDSA-N 2 2 356.470 1.310 20 30 FDEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572129 785304064 /nfs/dbraw/zinc/30/40/64/785304064.db2.gz OJEPCMNYNPHHJJ-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572129 785304074 /nfs/dbraw/zinc/30/40/74/785304074.db2.gz OJEPCMNYNPHHJJ-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3nc(C#N)cs3)CC2)CC1 ZINC000892521949 786727673 /nfs/dbraw/zinc/72/76/73/786727673.db2.gz KFCNWBMNQXDYBJ-UHFFFAOYSA-N 2 2 362.503 1.373 20 30 FDEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001104619685 788921527 /nfs/dbraw/zinc/92/15/27/788921527.db2.gz LDPCDQMRQHYRSO-KYJSFNMBSA-N 2 2 361.490 1.107 20 30 FDEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001104619685 788921529 /nfs/dbraw/zinc/92/15/29/788921529.db2.gz LDPCDQMRQHYRSO-KYJSFNMBSA-N 2 2 361.490 1.107 20 30 FDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001104745315 791311598 /nfs/dbraw/zinc/31/15/98/791311598.db2.gz KAHZOGSUEWUWGX-RTBURBONSA-N 2 2 361.530 1.729 20 30 FDEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@H]2C1 ZINC001083288818 792915746 /nfs/dbraw/zinc/91/57/46/792915746.db2.gz BKTCFIZQOFYFBM-PKOBYXMFSA-N 2 2 359.470 1.670 20 30 FDEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@H]2C1 ZINC001083288818 792915748 /nfs/dbraw/zinc/91/57/48/792915748.db2.gz BKTCFIZQOFYFBM-PKOBYXMFSA-N 2 2 359.470 1.670 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3C#N)CC2(C)C)O1 ZINC000974724129 800190781 /nfs/dbraw/zinc/19/07/81/800190781.db2.gz KNOXJHUCMHNLDW-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3C#N)CC2(C)C)O1 ZINC000974724129 800190786 /nfs/dbraw/zinc/19/07/86/800190786.db2.gz KNOXJHUCMHNLDW-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)O1 ZINC000974724129 800190792 /nfs/dbraw/zinc/19/07/92/800190792.db2.gz KNOXJHUCMHNLDW-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)O1 ZINC000974724129 800190795 /nfs/dbraw/zinc/19/07/95/800190795.db2.gz KNOXJHUCMHNLDW-LZQZEXGQSA-N 2 2 370.497 1.604 20 30 FDEDLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OCCCC#N ZINC000147219366 809878560 /nfs/dbraw/zinc/87/85/60/809878560.db2.gz VAROBWJBFNLCJO-UHFFFAOYSA-N 2 2 360.458 1.241 20 30 FDEDLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000332923477 809946316 /nfs/dbraw/zinc/94/63/16/809946316.db2.gz GAABRIMPJQEDTI-QFBILLFUSA-N 2 2 355.486 1.868 20 30 FDEDLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000332923477 809946319 /nfs/dbraw/zinc/94/63/19/809946319.db2.gz GAABRIMPJQEDTI-QFBILLFUSA-N 2 2 355.486 1.868 20 30 FDEDLP C[NH+]=C(NC[C@H](c1cccc(OC)c1)[NH+](C)C)N1CC[C@@]2(CCOC2)C1 ZINC000261984687 817910168 /nfs/dbraw/zinc/91/01/68/817910168.db2.gz PRYKEOVVRCWWHA-UYAOXDASSA-N 2 2 360.502 1.986 20 30 FDEDLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000328984325 819605307 /nfs/dbraw/zinc/60/53/07/819605307.db2.gz SUPWMMDGPUVARA-SJORKVTESA-N 2 2 365.522 1.804 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087529446 820613706 /nfs/dbraw/zinc/61/37/06/820613706.db2.gz HDURXVKQKBKMSK-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087529446 820613709 /nfs/dbraw/zinc/61/37/09/820613709.db2.gz HDURXVKQKBKMSK-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087529446 820613713 /nfs/dbraw/zinc/61/37/13/820613713.db2.gz HDURXVKQKBKMSK-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087529446 820613717 /nfs/dbraw/zinc/61/37/17/820613717.db2.gz HDURXVKQKBKMSK-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)[C@@H]2CC)CC1 ZINC001087840235 822559331 /nfs/dbraw/zinc/55/93/31/822559331.db2.gz NGJGQFZNDYXATL-DLBZAZTESA-N 2 2 359.474 1.192 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)[C@@H]2CC)CC1 ZINC001087840235 822559336 /nfs/dbraw/zinc/55/93/36/822559336.db2.gz NGJGQFZNDYXATL-DLBZAZTESA-N 2 2 359.474 1.192 20 30 FDEDLP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)C1=O ZINC000329158241 824633834 /nfs/dbraw/zinc/63/38/34/824633834.db2.gz DJXPISMNHSDVCI-GOSISDBHSA-N 2 2 367.453 1.872 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cn3)CC[C@@H]2C1 ZINC001087998063 825074697 /nfs/dbraw/zinc/07/46/97/825074697.db2.gz PDIPGMLGFGHRIB-UWVAXJGDSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cn3)CC[C@@H]2C1 ZINC001087998063 825074701 /nfs/dbraw/zinc/07/47/01/825074701.db2.gz PDIPGMLGFGHRIB-UWVAXJGDSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccc(F)cn3)CC[C@@H]2C1 ZINC001087998063 825074709 /nfs/dbraw/zinc/07/47/09/825074709.db2.gz PDIPGMLGFGHRIB-UWVAXJGDSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccc(F)cn3)CC[C@@H]2C1 ZINC001087998063 825074721 /nfs/dbraw/zinc/07/47/21/825074721.db2.gz PDIPGMLGFGHRIB-UWVAXJGDSA-N 2 2 370.472 1.599 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)nc[nH+]1 ZINC000330189583 825712615 /nfs/dbraw/zinc/71/26/15/825712615.db2.gz LXCYHRSQCVSGSH-DNVCBOLYSA-N 2 2 373.505 1.429 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc[nH+]1 ZINC000330189583 825712620 /nfs/dbraw/zinc/71/26/20/825712620.db2.gz LXCYHRSQCVSGSH-DNVCBOLYSA-N 2 2 373.505 1.429 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]cn1 ZINC000330189583 825712631 /nfs/dbraw/zinc/71/26/31/825712631.db2.gz LXCYHRSQCVSGSH-DNVCBOLYSA-N 2 2 373.505 1.429 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]cn1 ZINC000330189583 825712639 /nfs/dbraw/zinc/71/26/39/825712639.db2.gz LXCYHRSQCVSGSH-DNVCBOLYSA-N 2 2 373.505 1.429 20 30 FDEDLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000330189105 825712848 /nfs/dbraw/zinc/71/28/48/825712848.db2.gz LOWHZRHNYXSNTN-QUCCMNQESA-N 2 2 360.502 1.875 20 30 FDEDLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000330189105 825712854 /nfs/dbraw/zinc/71/28/54/825712854.db2.gz LOWHZRHNYXSNTN-QUCCMNQESA-N 2 2 360.502 1.875 20 30 FDEDLP C[NH+]1CCO[C@H](CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000330189105 825712861 /nfs/dbraw/zinc/71/28/61/825712861.db2.gz LOWHZRHNYXSNTN-QUCCMNQESA-N 2 2 360.502 1.875 20 30 FDEDLP C[NH+]1CCO[C@H](CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000330189105 825712870 /nfs/dbraw/zinc/71/28/70/825712870.db2.gz LOWHZRHNYXSNTN-QUCCMNQESA-N 2 2 360.502 1.875 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001088170726 827232260 /nfs/dbraw/zinc/23/22/60/827232260.db2.gz CWJRUWWKNHBUCI-MOPGFXCFSA-N 2 2 363.465 1.815 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001088170726 827232262 /nfs/dbraw/zinc/23/22/62/827232262.db2.gz CWJRUWWKNHBUCI-MOPGFXCFSA-N 2 2 363.465 1.815 20 30 FDEDLP CN(C(=O)c1cnn(C)c1C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000527252658 829005149 /nfs/dbraw/zinc/00/51/49/829005149.db2.gz XDNSGXFUYFSERL-QZTJIDSGSA-N 2 2 372.517 1.701 20 30 FDEDLP CN(C(=O)c1cnn(C)c1C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000527252658 829005161 /nfs/dbraw/zinc/00/51/61/829005161.db2.gz XDNSGXFUYFSERL-QZTJIDSGSA-N 2 2 372.517 1.701 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088659132 839465021 /nfs/dbraw/zinc/46/50/21/839465021.db2.gz JPOGXJMFLDCFOY-UTJXIGIESA-N 2 2 362.499 1.418 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088659132 839465022 /nfs/dbraw/zinc/46/50/22/839465022.db2.gz JPOGXJMFLDCFOY-UTJXIGIESA-N 2 2 362.499 1.418 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001088659132 839465025 /nfs/dbraw/zinc/46/50/25/839465025.db2.gz JPOGXJMFLDCFOY-UTJXIGIESA-N 2 2 362.499 1.418 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001088659132 839465028 /nfs/dbraw/zinc/46/50/28/839465028.db2.gz JPOGXJMFLDCFOY-UTJXIGIESA-N 2 2 362.499 1.418 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)C1=O ZINC001088663452 839506603 /nfs/dbraw/zinc/50/66/03/839506603.db2.gz BNNRUUXQLJTPNO-XUWXXGDYSA-N 2 2 367.453 1.542 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)C1=O ZINC001088663452 839506607 /nfs/dbraw/zinc/50/66/07/839506607.db2.gz BNNRUUXQLJTPNO-XUWXXGDYSA-N 2 2 367.453 1.542 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076294393 847793305 /nfs/dbraw/zinc/79/33/05/847793305.db2.gz JHPKDOKCMMUTCI-MAUKXSAKSA-N 2 2 365.437 1.565 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076294393 847793310 /nfs/dbraw/zinc/79/33/10/847793310.db2.gz JHPKDOKCMMUTCI-MAUKXSAKSA-N 2 2 365.437 1.565 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nccc(C)n4)C[C@H]32)CC1 ZINC001076604912 848554407 /nfs/dbraw/zinc/55/44/07/848554407.db2.gz XPJAMHPJBATNFL-RBUKOAKNSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nccc(C)n4)C[C@H]32)CC1 ZINC001076604912 848554409 /nfs/dbraw/zinc/55/44/09/848554409.db2.gz XPJAMHPJBATNFL-RBUKOAKNSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)C)C[C@H]1O ZINC001077158947 849954217 /nfs/dbraw/zinc/95/42/17/849954217.db2.gz GHHAEUOHTNHNAQ-QHAWAJNXSA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(C)C)C[C@H]1O ZINC001077158947 849954223 /nfs/dbraw/zinc/95/42/23/849954223.db2.gz GHHAEUOHTNHNAQ-QHAWAJNXSA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C(C)C)C[C@H]1O ZINC001077158947 849954228 /nfs/dbraw/zinc/95/42/28/849954228.db2.gz GHHAEUOHTNHNAQ-QHAWAJNXSA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C(C)C)C[C@H]1O ZINC001077158947 849954231 /nfs/dbraw/zinc/95/42/31/849954231.db2.gz GHHAEUOHTNHNAQ-QHAWAJNXSA-N 2 2 369.509 1.569 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106869385 881510733 /nfs/dbraw/zinc/51/07/33/881510733.db2.gz BIEKEWZGLZEENA-IAGOWNOFSA-N 2 2 369.469 1.768 20 30 FDEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC001083155495 912273985 /nfs/dbraw/zinc/27/39/85/912273985.db2.gz XHOCJYOEWODTNT-RBUKOAKNSA-N 2 2 352.438 1.974 20 30 FDEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC001083155495 912273996 /nfs/dbraw/zinc/27/39/96/912273996.db2.gz XHOCJYOEWODTNT-RBUKOAKNSA-N 2 2 352.438 1.974 20 30 FDEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083832825 879242773 /nfs/dbraw/zinc/24/27/73/879242773.db2.gz WUIBKNOWZCPIDF-AABGKKOBSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083832825 879242784 /nfs/dbraw/zinc/24/27/84/879242784.db2.gz WUIBKNOWZCPIDF-AABGKKOBSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083832825 879242805 /nfs/dbraw/zinc/24/28/05/879242805.db2.gz WUIBKNOWZCPIDF-AABGKKOBSA-N 2 2 370.497 1.482 20 30 FDEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083832825 879242821 /nfs/dbraw/zinc/24/28/21/879242821.db2.gz WUIBKNOWZCPIDF-AABGKKOBSA-N 2 2 370.497 1.482 20 30 FDEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034322017 884176178 /nfs/dbraw/zinc/17/61/78/884176178.db2.gz DVUMXAGWGRTLLE-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034322017 884176197 /nfs/dbraw/zinc/17/61/97/884176197.db2.gz DVUMXAGWGRTLLE-QRVBRYPASA-N 2 2 365.518 1.413 20 30 FDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004801 884998929 /nfs/dbraw/zinc/99/89/29/884998929.db2.gz XZNBLRGEWQZXCZ-BBWFWOEESA-N 2 2 369.473 1.053 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004801 884998935 /nfs/dbraw/zinc/99/89/35/884998935.db2.gz XZNBLRGEWQZXCZ-BBWFWOEESA-N 2 2 369.473 1.053 20 30 FDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054688 885585992 /nfs/dbraw/zinc/58/59/92/885585992.db2.gz JUSJQHQBPKLCDO-KURKYZTESA-N 2 2 369.473 1.127 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129054688 885586004 /nfs/dbraw/zinc/58/60/04/885586004.db2.gz JUSJQHQBPKLCDO-KURKYZTESA-N 2 2 369.473 1.127 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000672357442 893197661 /nfs/dbraw/zinc/19/76/61/893197661.db2.gz ULIJDGWRQRLMQS-KRWDZBQOSA-N 2 2 359.474 1.203 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349567 914138103 /nfs/dbraw/zinc/13/81/03/914138103.db2.gz RQUFBQVICSFQFI-NJDAHSKKSA-N 2 2 364.493 1.933 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349567 914138117 /nfs/dbraw/zinc/13/81/17/914138117.db2.gz RQUFBQVICSFQFI-NJDAHSKKSA-N 2 2 364.493 1.933 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](OC)C1 ZINC001082296831 906653846 /nfs/dbraw/zinc/65/38/46/906653846.db2.gz XYZZFFGBURCIRA-QZTJIDSGSA-N 2 2 355.442 1.663 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](OC)C1 ZINC001082296831 906653854 /nfs/dbraw/zinc/65/38/54/906653854.db2.gz XYZZFFGBURCIRA-QZTJIDSGSA-N 2 2 355.442 1.663 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(Cl)n2)C1 ZINC001082568514 908710356 /nfs/dbraw/zinc/71/03/56/908710356.db2.gz AKBMIZXBOLIGQS-YUELXQCFSA-N 2 2 366.918 1.831 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(Cl)n2)C1 ZINC001082568514 908710369 /nfs/dbraw/zinc/71/03/69/908710369.db2.gz AKBMIZXBOLIGQS-YUELXQCFSA-N 2 2 366.918 1.831 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082602973 908911622 /nfs/dbraw/zinc/91/16/22/908911622.db2.gz CPOCUTGIZAUMPX-AYOQOUSVSA-N 2 2 363.465 1.954 20 30 FDEDLP N#Cc1cc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000921632991 909022863 /nfs/dbraw/zinc/02/28/63/909022863.db2.gz OOXIPYIZLWGQIJ-UHFFFAOYSA-N 2 2 355.467 1.843 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(C)cn3)[C@H]2C1 ZINC001084961096 918906582 /nfs/dbraw/zinc/90/65/82/918906582.db2.gz KSCUZDCMBORJRX-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(C)cn3)[C@H]2C1 ZINC001084961096 918906586 /nfs/dbraw/zinc/90/65/86/918906586.db2.gz KSCUZDCMBORJRX-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnc(C)cn3)[C@H]2C1 ZINC001084961096 918906591 /nfs/dbraw/zinc/90/65/91/918906591.db2.gz KSCUZDCMBORJRX-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnc(C)cn3)[C@H]2C1 ZINC001084961096 918906596 /nfs/dbraw/zinc/90/65/96/918906596.db2.gz KSCUZDCMBORJRX-HOJAQTOUSA-N 2 2 367.497 1.305 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878384 930679141 /nfs/dbraw/zinc/67/91/41/930679141.db2.gz VPNFCTNOITUKNT-BDXSIMOUSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878384 930679149 /nfs/dbraw/zinc/67/91/49/930679149.db2.gz VPNFCTNOITUKNT-BDXSIMOUSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129919168 938567543 /nfs/dbraw/zinc/56/75/43/938567543.db2.gz PIOWIYZAQMYMMZ-JQHSSLGASA-N 2 2 369.473 1.045 20 30 FDEDLP C[NH+]1CCN(Cc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)s2)CC1 ZINC001136629990 945231986 /nfs/dbraw/zinc/23/19/86/945231986.db2.gz BXSYNENYMHXJEJ-UHFFFAOYSA-N 2 2 361.515 1.213 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130683145 939982995 /nfs/dbraw/zinc/98/29/95/939982995.db2.gz ZGPQGHBUKXRYCH-SOLBZPMBSA-N 2 2 354.458 1.175 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131079438 940492243 /nfs/dbraw/zinc/49/22/43/940492243.db2.gz LLKVTPUSXKBVGG-DJIMGWMZSA-N 2 2 356.474 1.625 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117735 940504354 /nfs/dbraw/zinc/50/43/54/940504354.db2.gz PCCVJLOHNSQAGF-QGPMSJSTSA-N 2 2 370.501 1.933 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001131594736 940776962 /nfs/dbraw/zinc/77/69/62/940776962.db2.gz BLJIOODZASUBLR-AEFFLSMTSA-N 2 2 358.486 1.696 20 30 FDEDLP C#Cc1ccc(C[N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cc1 ZINC001144569636 949947840 /nfs/dbraw/zinc/94/78/40/949947840.db2.gz VNURHYWWCNEJIX-UHFFFAOYSA-N 2 2 352.438 1.506 20 30 FDEDLP C#Cc1ccc(C[N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cc1 ZINC001144569636 949947841 /nfs/dbraw/zinc/94/78/41/949947841.db2.gz VNURHYWWCNEJIX-UHFFFAOYSA-N 2 2 352.438 1.506 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001091565695 952093091 /nfs/dbraw/zinc/09/30/91/952093091.db2.gz VNUPOTPJPNRNJL-SJBKTWHCSA-N 2 2 367.493 1.149 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001091565695 952093094 /nfs/dbraw/zinc/09/30/94/952093094.db2.gz VNUPOTPJPNRNJL-SJBKTWHCSA-N 2 2 367.493 1.149 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001091565695 952093103 /nfs/dbraw/zinc/09/31/03/952093103.db2.gz VNUPOTPJPNRNJL-SJBKTWHCSA-N 2 2 367.493 1.149 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001091565695 952093109 /nfs/dbraw/zinc/09/31/09/952093109.db2.gz VNUPOTPJPNRNJL-SJBKTWHCSA-N 2 2 367.493 1.149 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001087005795 953065494 /nfs/dbraw/zinc/06/54/94/953065494.db2.gz VAIVMFKZKXSRNE-JKSUJKDBSA-N 2 2 362.865 1.033 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011063 953102745 /nfs/dbraw/zinc/10/27/45/953102745.db2.gz CQHWJQWIMRFDON-IPMKNSEASA-N 2 2 368.485 1.188 20 30 FDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946906 953811791 /nfs/dbraw/zinc/81/17/91/953811791.db2.gz RFJOFKRQPJKJTO-QFUCXCTJSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946906 953811800 /nfs/dbraw/zinc/81/18/00/953811800.db2.gz RFJOFKRQPJKJTO-QFUCXCTJSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946906 953811815 /nfs/dbraw/zinc/81/18/15/953811815.db2.gz RFJOFKRQPJKJTO-QFUCXCTJSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091946906 953811830 /nfs/dbraw/zinc/81/18/30/953811830.db2.gz RFJOFKRQPJKJTO-QFUCXCTJSA-N 2 2 361.530 1.986 20 30 FDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092063804 954186458 /nfs/dbraw/zinc/18/64/58/954186458.db2.gz SSHHWYMIYOQSHP-QUCCMNQESA-N 2 2 359.514 1.435 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092063804 954186461 /nfs/dbraw/zinc/18/64/61/954186461.db2.gz SSHHWYMIYOQSHP-QUCCMNQESA-N 2 2 359.514 1.435 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001092200737 954523597 /nfs/dbraw/zinc/52/35/97/954523597.db2.gz NXMZPMJGZMZGNZ-KNQAVFIVSA-N 2 2 362.477 1.795 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001092200737 954523603 /nfs/dbraw/zinc/52/36/03/954523603.db2.gz NXMZPMJGZMZGNZ-KNQAVFIVSA-N 2 2 362.477 1.795 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001092200757 954524109 /nfs/dbraw/zinc/52/41/09/954524109.db2.gz OWOZKBFBMCNMTE-NQIIRXRSSA-N 2 2 363.465 1.815 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001092200757 954524111 /nfs/dbraw/zinc/52/41/11/954524111.db2.gz OWOZKBFBMCNMTE-NQIIRXRSSA-N 2 2 363.465 1.815 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093476430 958255076 /nfs/dbraw/zinc/25/50/76/958255076.db2.gz AYIAGAARZPBSNR-LFGUQSLTSA-N 2 2 360.502 1.505 20 30 FDEDLP C[NH+]1CCN(c2ncc(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)cn2)CC1 ZINC001176627815 963484606 /nfs/dbraw/zinc/48/46/06/963484606.db2.gz NWKIMONGUMARHP-UHFFFAOYSA-N 2 2 369.498 1.893 20 30 FDEDLP C[NH+]1CCN(c2ncc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)cn2)CC1 ZINC001176627815 963484613 /nfs/dbraw/zinc/48/46/13/963484613.db2.gz NWKIMONGUMARHP-UHFFFAOYSA-N 2 2 369.498 1.893 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001185750458 964105593 /nfs/dbraw/zinc/10/55/93/964105593.db2.gz YSVIKIDXALAGAA-GUDVDZBRSA-N 2 2 366.440 1.905 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188962560 966675498 /nfs/dbraw/zinc/67/54/98/966675498.db2.gz CZMOCAXQIRVGKE-UONOGXRCSA-N 2 2 356.308 1.770 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188962560 966675504 /nfs/dbraw/zinc/67/55/04/966675504.db2.gz CZMOCAXQIRVGKE-UONOGXRCSA-N 2 2 356.308 1.770 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000867957941 977141836 /nfs/dbraw/zinc/14/18/36/977141836.db2.gz DGEHPNHCIMDUOS-IBGZPJMESA-N 2 2 354.454 1.068 20 30 FDEDLP C#CCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000880478427 979219500 /nfs/dbraw/zinc/21/95/00/979219500.db2.gz DTEUGFAQECXMJJ-UHFFFAOYSA-N 2 2 355.482 1.181 20 30 FDEDLP C=CCC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCO1 ZINC000883371342 982100014 /nfs/dbraw/zinc/10/00/14/982100014.db2.gz HDWRWSALVASVRT-AABGKKOBSA-N 2 2 351.535 1.886 20 30 FDEDLP C#CCOc1ccccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372041 982101369 /nfs/dbraw/zinc/10/13/69/982101369.db2.gz JTTUSZVBWFCOCE-FQEVSTJZSA-N 2 2 357.498 1.585 20 30 FDEDLP C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000886583161 986387500 /nfs/dbraw/zinc/38/75/00/986387500.db2.gz DRYJHQVNVUHBGV-UHFFFAOYSA-N 2 2 367.409 1.950 20 30 FDEDLP C[N@H+](CCc1cccc(C#N)c1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000872706187 987993174 /nfs/dbraw/zinc/99/31/74/987993174.db2.gz XEFGGIRIXFIOTC-UHFFFAOYSA-N 2 2 355.442 1.006 20 30 FDEDLP C[N@@H+](CCc1cccc(C#N)c1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000872706187 987993177 /nfs/dbraw/zinc/99/31/77/987993177.db2.gz XEFGGIRIXFIOTC-UHFFFAOYSA-N 2 2 355.442 1.006 20 30 FDEDLP C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364735848 989750679 /nfs/dbraw/zinc/75/06/79/989750679.db2.gz GJOXGRRCTZYAES-IBGZPJMESA-N 2 2 368.481 1.233 20 30 FDEDLP C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364735848 989750685 /nfs/dbraw/zinc/75/06/85/989750685.db2.gz GJOXGRRCTZYAES-IBGZPJMESA-N 2 2 368.481 1.233 20 30 FDEDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000371508491 990488700 /nfs/dbraw/zinc/48/87/00/990488700.db2.gz JUKMDHXWLOTZMY-HKUYNNGSSA-N 2 2 358.486 1.646 20 30 FDEDLP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000372609281 991268149 /nfs/dbraw/zinc/26/81/49/991268149.db2.gz TYFNSDXKSRITFP-UHFFFAOYSA-N 2 2 351.454 1.863 20 30 FDEDLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000876716781 992825548 /nfs/dbraw/zinc/82/55/48/992825548.db2.gz NCCSZKZFRRLFBW-SPYBWZPUSA-N 2 2 356.470 1.361 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000876895383 992954263 /nfs/dbraw/zinc/95/42/63/992954263.db2.gz ADCCXZWKMVGKEG-KRWDZBQOSA-N 2 2 364.877 1.759 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001095684505 994020376 /nfs/dbraw/zinc/02/03/76/994020376.db2.gz INKPZFJYJHXKFF-VSZNYVQBSA-N 2 2 372.513 1.123 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001095684505 994020388 /nfs/dbraw/zinc/02/03/88/994020388.db2.gz INKPZFJYJHXKFF-VSZNYVQBSA-N 2 2 372.513 1.123 20 30 FDEDLP C#CCC1([NH2+]CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CCOCC1 ZINC000887125616 996955337 /nfs/dbraw/zinc/95/53/37/996955337.db2.gz CTJKDIKCSOPRKK-UHFFFAOYSA-N 2 2 369.509 1.801 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H](O)C[NH+]2CCCC2)CC1=O ZINC000269877991 999479702 /nfs/dbraw/zinc/47/97/02/999479702.db2.gz XQLGZDMQGGZBIY-CQSZACIVSA-N 2 2 369.469 1.103 20 30 FDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000270252222 999531233 /nfs/dbraw/zinc/53/12/33/999531233.db2.gz NKYCGAQNFBKPLG-UHFFFAOYSA-N 2 2 361.446 1.106 20 30 FDEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000929513475 1002151866 /nfs/dbraw/zinc/15/18/66/1002151866.db2.gz UJMJEIZUMSIULJ-UHFFFAOYSA-N 2 2 368.481 1.237 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097159 1005924132 /nfs/dbraw/zinc/92/41/32/1005924132.db2.gz NEBKFNYPQGVFMM-TVFCKZIOSA-N 2 2 362.518 1.275 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097159 1005924133 /nfs/dbraw/zinc/92/41/33/1005924133.db2.gz NEBKFNYPQGVFMM-TVFCKZIOSA-N 2 2 362.518 1.275 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000507759398 538923016 /nfs/dbraw/zinc/92/30/16/538923016.db2.gz PSEFUEDSHRLOFG-KRWDZBQOSA-N 2 2 350.507 1.062 20 30 FDEDLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCSCC1 ZINC000269698110 180364288 /nfs/dbraw/zinc/36/42/88/180364288.db2.gz QDEQBWCAIVINGH-INIZCTEOSA-N 2 2 358.511 1.640 20 30 FDEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131218690 173193639 /nfs/dbraw/zinc/19/36/39/173193639.db2.gz DOCLAXMVBLIKEG-GOSISDBHSA-N 2 2 369.469 1.301 20 30 FDEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131218690 173193641 /nfs/dbraw/zinc/19/36/41/173193641.db2.gz DOCLAXMVBLIKEG-GOSISDBHSA-N 2 2 369.469 1.301 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000141606579 173376267 /nfs/dbraw/zinc/37/62/67/173376267.db2.gz ZWDGIQNOQNVANC-SFHVURJKSA-N 2 2 369.469 1.125 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000141606579 173376270 /nfs/dbraw/zinc/37/62/70/173376270.db2.gz ZWDGIQNOQNVANC-SFHVURJKSA-N 2 2 369.469 1.125 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377284 174125688 /nfs/dbraw/zinc/12/56/88/174125688.db2.gz RZWJHEQWFHXPIE-MRXNPFEDSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377284 174125690 /nfs/dbraw/zinc/12/56/90/174125690.db2.gz RZWJHEQWFHXPIE-MRXNPFEDSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377284 174125693 /nfs/dbraw/zinc/12/56/93/174125693.db2.gz RZWJHEQWFHXPIE-MRXNPFEDSA-N 2 2 357.502 1.843 20 30 FDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377284 174125695 /nfs/dbraw/zinc/12/56/95/174125695.db2.gz RZWJHEQWFHXPIE-MRXNPFEDSA-N 2 2 357.502 1.843 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000559755302 544785056 /nfs/dbraw/zinc/78/50/56/544785056.db2.gz JMSKSMDKACWZLT-UHFFFAOYSA-N 3 2 351.539 1.352 20 30 FDEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000367604221 260068074 /nfs/dbraw/zinc/06/80/74/260068074.db2.gz STIINVQKTLVLTC-UHFFFAOYSA-N 2 2 360.433 1.315 20 30 FDEDLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000072694587 522360483 /nfs/dbraw/zinc/36/04/83/522360483.db2.gz FATLRNSFGXURGL-IBGZPJMESA-N 2 2 358.486 1.907 20 30 FDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(C(=O)c2ccco2)CC1 ZINC000073982758 522651879 /nfs/dbraw/zinc/65/18/79/522651879.db2.gz OITOXMVIIUPCPD-UHFFFAOYSA-N 2 2 370.457 1.346 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000077316327 523293909 /nfs/dbraw/zinc/29/39/09/523293909.db2.gz OZEYLCNYKSMZAL-SFHVURJKSA-N 2 2 358.486 1.657 20 30 FDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000077316327 523293922 /nfs/dbraw/zinc/29/39/22/523293922.db2.gz OZEYLCNYKSMZAL-SFHVURJKSA-N 2 2 358.486 1.657 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000068445521 523790155 /nfs/dbraw/zinc/79/01/55/523790155.db2.gz UHPDALVFBZIMTP-UHFFFAOYSA-N 2 2 353.382 1.562 20 30 FDEDLP CC[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160080506 524803302 /nfs/dbraw/zinc/80/33/02/524803302.db2.gz CZNHHONIQYUEFU-CVEARBPZSA-N 2 2 370.505 1.860 20 30 FDEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821063 525001395 /nfs/dbraw/zinc/00/13/95/525001395.db2.gz YQNUGGKVYPOMTO-APWZRJJASA-N 2 2 356.470 1.716 20 30 FDEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821063 525001405 /nfs/dbraw/zinc/00/14/05/525001405.db2.gz YQNUGGKVYPOMTO-APWZRJJASA-N 2 2 356.470 1.716 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000153850163 525344577 /nfs/dbraw/zinc/34/45/77/525344577.db2.gz DADZLSFTQVUKDK-UYAOXDASSA-N 2 2 369.513 1.421 20 30 FDEDLP CCCCNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000104054397 525389167 /nfs/dbraw/zinc/38/91/67/525389167.db2.gz JQMUVPRQOCDTBH-UHFFFAOYSA-N 2 2 362.474 1.197 20 30 FDEDLP C=CC[C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127167431 525391925 /nfs/dbraw/zinc/39/19/25/525391925.db2.gz DLBWAPMNNFISIC-IRXDYDNUSA-N 2 2 366.531 1.724 20 30 FDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131247258 525838795 /nfs/dbraw/zinc/83/87/95/525838795.db2.gz LOGCELBICPWJTD-DOTOQJQBSA-N 2 2 350.507 1.214 20 30 FDEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000155623365 525924540 /nfs/dbraw/zinc/92/45/40/525924540.db2.gz YYVHHUNNOYQTPK-HNNXBMFYSA-N 2 2 360.425 1.640 20 30 FDEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000155623365 525924529 /nfs/dbraw/zinc/92/45/29/525924529.db2.gz YYVHHUNNOYQTPK-HNNXBMFYSA-N 2 2 360.425 1.640 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266612786 536909849 /nfs/dbraw/zinc/90/98/49/536909849.db2.gz INCBSRRBPDGNIT-FUHWJXTLSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266612786 536909853 /nfs/dbraw/zinc/90/98/53/536909853.db2.gz INCBSRRBPDGNIT-FUHWJXTLSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266612786 536909856 /nfs/dbraw/zinc/90/98/56/536909856.db2.gz INCBSRRBPDGNIT-FUHWJXTLSA-N 2 2 358.486 1.841 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266612786 536909861 /nfs/dbraw/zinc/90/98/61/536909861.db2.gz INCBSRRBPDGNIT-FUHWJXTLSA-N 2 2 358.486 1.841 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000246746479 537017189 /nfs/dbraw/zinc/01/71/89/537017189.db2.gz XDLADULGNXUPOI-IRXDYDNUSA-N 2 2 373.526 1.437 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000246746479 537017192 /nfs/dbraw/zinc/01/71/92/537017192.db2.gz XDLADULGNXUPOI-IRXDYDNUSA-N 2 2 373.526 1.437 20 30 FDEDLP C[NH+]=C(NCCCn1c(C)[nH+]c2ccccc21)NCCN1CCOCC1 ZINC000264966743 537150539 /nfs/dbraw/zinc/15/05/39/537150539.db2.gz CJEHBSWRBLXECP-UHFFFAOYSA-N 2 2 358.490 1.232 20 30 FDEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000330223111 537651806 /nfs/dbraw/zinc/65/18/06/537651806.db2.gz MWSMIEGXFTZMNP-UHFFFAOYSA-N 2 2 360.506 1.850 20 30 FDEDLP COCC[NH+](CCOC)C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000285473734 537717893 /nfs/dbraw/zinc/71/78/93/537717893.db2.gz KWMCCQRSQIBPHF-FQEVSTJZSA-N 2 2 361.486 1.651 20 30 FDEDLP CN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367116721 537941398 /nfs/dbraw/zinc/94/13/98/537941398.db2.gz GWGGZNVCVMPFJE-IBGZPJMESA-N 2 2 355.486 1.597 20 30 FDEDLP CN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367116721 537941402 /nfs/dbraw/zinc/94/14/02/537941402.db2.gz GWGGZNVCVMPFJE-IBGZPJMESA-N 2 2 355.486 1.597 20 30 FDEDLP C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116721 537941407 /nfs/dbraw/zinc/94/14/07/537941407.db2.gz GWGGZNVCVMPFJE-IBGZPJMESA-N 2 2 355.486 1.597 20 30 FDEDLP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116721 537941409 /nfs/dbraw/zinc/94/14/09/537941409.db2.gz GWGGZNVCVMPFJE-IBGZPJMESA-N 2 2 355.486 1.597 20 30 FDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000563003604 546350344 /nfs/dbraw/zinc/35/03/44/546350344.db2.gz VNXGPHXUQYCKLG-WOJBJXKFSA-N 2 2 360.502 1.073 20 30 FDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000563003604 546350349 /nfs/dbraw/zinc/35/03/49/546350349.db2.gz VNXGPHXUQYCKLG-WOJBJXKFSA-N 2 2 360.502 1.073 20 30 FDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000566633181 547835155 /nfs/dbraw/zinc/83/51/55/547835155.db2.gz ZOSASVJJHXILTJ-FQEVSTJZSA-N 2 2 366.465 1.947 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000573357603 550119667 /nfs/dbraw/zinc/11/96/67/550119667.db2.gz DSZLMRRDSRWNNT-MRXNPFEDSA-N 2 2 350.488 1.437 20 30 FDEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000573357603 550119668 /nfs/dbraw/zinc/11/96/68/550119668.db2.gz DSZLMRRDSRWNNT-MRXNPFEDSA-N 2 2 350.488 1.437 20 30 FDEDLP CC1CC[NH+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000576786927 550585816 /nfs/dbraw/zinc/58/58/16/550585816.db2.gz VKDUIVGTCFXDHQ-UHFFFAOYSA-N 2 2 350.488 1.439 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578753784 550797965 /nfs/dbraw/zinc/79/79/65/550797965.db2.gz GEMBQXHWLVWAIX-HNNXBMFYSA-N 2 2 364.515 1.822 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578753784 550797966 /nfs/dbraw/zinc/79/79/66/550797966.db2.gz GEMBQXHWLVWAIX-HNNXBMFYSA-N 2 2 364.515 1.822 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578753784 550797968 /nfs/dbraw/zinc/79/79/68/550797968.db2.gz GEMBQXHWLVWAIX-HNNXBMFYSA-N 2 2 364.515 1.822 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578753784 550797969 /nfs/dbraw/zinc/79/79/69/550797969.db2.gz GEMBQXHWLVWAIX-HNNXBMFYSA-N 2 2 364.515 1.822 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC000581478563 551093044 /nfs/dbraw/zinc/09/30/44/551093044.db2.gz AATDEYZCTPLCEL-VQTJNVASSA-N 2 2 367.497 1.774 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000582720219 551259270 /nfs/dbraw/zinc/25/92/70/551259270.db2.gz FVXQTIFULIPKEG-GOSISDBHSA-N 2 2 350.422 1.972 20 30 FDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCN(C(=O)CC#N)CC3)c2cc1C ZINC000584847257 551559536 /nfs/dbraw/zinc/55/95/36/551559536.db2.gz JATNXDCQMDVAIR-MRXNPFEDSA-N 2 2 355.442 1.072 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000590193173 551764324 /nfs/dbraw/zinc/76/43/24/551764324.db2.gz ICUJGRFCDSYLTE-ICSRJNTNSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000590193173 551764326 /nfs/dbraw/zinc/76/43/26/551764326.db2.gz ICUJGRFCDSYLTE-ICSRJNTNSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000590193173 551764327 /nfs/dbraw/zinc/76/43/27/551764327.db2.gz ICUJGRFCDSYLTE-ICSRJNTNSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000590193173 551764329 /nfs/dbraw/zinc/76/43/29/551764329.db2.gz ICUJGRFCDSYLTE-ICSRJNTNSA-N 2 2 361.534 1.096 20 30 FDEDLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592145891 551949151 /nfs/dbraw/zinc/94/91/51/551949151.db2.gz ASKKHYUBMFFZFB-OAQYLSRUSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592145891 551949153 /nfs/dbraw/zinc/94/91/53/551949153.db2.gz ASKKHYUBMFFZFB-OAQYLSRUSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592145891 551949155 /nfs/dbraw/zinc/94/91/55/551949155.db2.gz ASKKHYUBMFFZFB-OAQYLSRUSA-N 2 2 370.497 1.380 20 30 FDEDLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592145891 551949156 /nfs/dbraw/zinc/94/91/56/551949156.db2.gz ASKKHYUBMFFZFB-OAQYLSRUSA-N 2 2 370.497 1.380 20 30 FDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[NH+]3CCOCC3)CC2)c1 ZINC000593004748 552052528 /nfs/dbraw/zinc/05/25/28/552052528.db2.gz WVWUROCDGMKSEX-UHFFFAOYSA-N 2 2 371.485 1.154 20 30 FDEDLP Cn1c[nH+]c(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593411678 552104784 /nfs/dbraw/zinc/10/47/84/552104784.db2.gz BLXIPABQTUGNDS-UHFFFAOYSA-N 2 2 366.469 1.798 20 30 FDEDLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594440259 552311205 /nfs/dbraw/zinc/31/12/05/552311205.db2.gz BDHJUQAOYUHXNG-MOPGFXCFSA-N 2 2 358.486 1.896 20 30 FDEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000594503775 552326580 /nfs/dbraw/zinc/32/65/80/552326580.db2.gz BIRAQLIVNZFRQM-UXHICEINSA-N 2 2 368.481 1.897 20 30 FDEDLP Cn1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000595863078 552625138 /nfs/dbraw/zinc/62/51/38/552625138.db2.gz KLKIGIMMGDTEMG-HXUWFJFHSA-N 2 2 365.481 1.990 20 30 FDEDLP Cn1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000595863078 552625139 /nfs/dbraw/zinc/62/51/39/552625139.db2.gz KLKIGIMMGDTEMG-HXUWFJFHSA-N 2 2 365.481 1.990 20 30 FDEDLP CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000597942316 552848847 /nfs/dbraw/zinc/84/88/47/552848847.db2.gz LLGQLOONWSGSPG-LBPRGKRZSA-N 2 2 365.503 1.383 20 30 FDEDLP CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000597942316 552848848 /nfs/dbraw/zinc/84/88/48/552848848.db2.gz LLGQLOONWSGSPG-LBPRGKRZSA-N 2 2 365.503 1.383 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000602545779 553603825 /nfs/dbraw/zinc/60/38/25/553603825.db2.gz PUCLIMGTAGIZFI-ZWKOTPCHSA-N 2 2 350.507 1.081 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000611505000 554638902 /nfs/dbraw/zinc/63/89/02/554638902.db2.gz CXJRNPSAPODVMZ-GOSISDBHSA-N 2 2 370.497 1.629 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000619723935 555826737 /nfs/dbraw/zinc/82/67/37/555826737.db2.gz YRJUSOJXCVOTDQ-VQTJNVASSA-N 2 2 373.497 1.537 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000619723935 555826739 /nfs/dbraw/zinc/82/67/39/555826739.db2.gz YRJUSOJXCVOTDQ-VQTJNVASSA-N 2 2 373.497 1.537 20 30 FDEDLP C[NH+]=C(NCCN1CCSCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261957295 672701922 /nfs/dbraw/zinc/70/19/22/672701922.db2.gz JDYJRUYELQVFDG-JKSUJKDBSA-N 2 2 350.536 1.390 20 30 FDEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261995933 672708369 /nfs/dbraw/zinc/70/83/69/672708369.db2.gz SIIDIIUIRRTLTP-XYJFISCASA-N 3 2 364.563 1.779 20 30 FDEDLP C[NH+]=C(NC[C@@H]1CCCO1)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000262379419 672779773 /nfs/dbraw/zinc/77/97/73/672779773.db2.gz KDUHLUVERMMOBN-KRWDZBQOSA-N 3 2 351.539 1.281 20 30 FDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262767344 672845823 /nfs/dbraw/zinc/84/58/23/672845823.db2.gz GMCOLLPBRJTMPN-GOSISDBHSA-N 2 2 354.564 1.893 20 30 FDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(Cc2cccs2)CC1 ZINC000262781906 672848728 /nfs/dbraw/zinc/84/87/28/672848728.db2.gz LJNBTUCZFAEPDN-UHFFFAOYSA-N 2 2 367.588 1.490 20 30 FDEDLP N#Cc1c(F)ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1Cl ZINC000365495220 677359658 /nfs/dbraw/zinc/35/96/58/677359658.db2.gz XPEODVSOXVGGML-OAHLLOKOSA-N 2 2 366.868 1.847 20 30 FDEDLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]21)[NH+](C)C ZINC001083195900 771422284 /nfs/dbraw/zinc/42/22/84/771422284.db2.gz VAJVPGUVLAQSQN-GBESFXJTSA-N 2 2 356.470 1.310 20 30 FDEDLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21)[NH+](C)C ZINC001083195900 771422288 /nfs/dbraw/zinc/42/22/88/771422288.db2.gz VAJVPGUVLAQSQN-GBESFXJTSA-N 2 2 356.470 1.310 20 30 FDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367304 777936272 /nfs/dbraw/zinc/93/62/72/777936272.db2.gz OJBWLHCBFQNZOS-KZNAEPCWSA-N 2 2 360.502 1.722 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC#Cc2ccccc2)O1 ZINC001027966090 807134670 /nfs/dbraw/zinc/13/46/70/807134670.db2.gz KJHDFXWOYRSJOR-YZGWKJHDSA-N 2 2 355.482 1.338 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC#Cc2ccccc2)O1 ZINC001027966090 807134675 /nfs/dbraw/zinc/13/46/75/807134675.db2.gz KJHDFXWOYRSJOR-YZGWKJHDSA-N 2 2 355.482 1.338 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)O1 ZINC001027966090 807134679 /nfs/dbraw/zinc/13/46/79/807134679.db2.gz KJHDFXWOYRSJOR-YZGWKJHDSA-N 2 2 355.482 1.338 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)O1 ZINC001027966090 807134686 /nfs/dbraw/zinc/13/46/86/807134686.db2.gz KJHDFXWOYRSJOR-YZGWKJHDSA-N 2 2 355.482 1.338 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001087444008 809806973 /nfs/dbraw/zinc/80/69/73/809806973.db2.gz RLTKDVIYHDCZMZ-VAMGGRTRSA-N 2 2 357.498 1.867 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001087444008 809806976 /nfs/dbraw/zinc/80/69/76/809806976.db2.gz RLTKDVIYHDCZMZ-VAMGGRTRSA-N 2 2 357.498 1.867 20 30 FDEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001087444008 809806987 /nfs/dbraw/zinc/80/69/87/809806987.db2.gz RLTKDVIYHDCZMZ-VAMGGRTRSA-N 2 2 357.498 1.867 20 30 FDEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001087444008 809806990 /nfs/dbraw/zinc/80/69/90/809806990.db2.gz RLTKDVIYHDCZMZ-VAMGGRTRSA-N 2 2 357.498 1.867 20 30 FDEDLP C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261946100 811350365 /nfs/dbraw/zinc/35/03/65/811350365.db2.gz FZOVZHPENSMMNH-IAGOWNOFSA-N 2 2 374.533 1.990 20 30 FDEDLP N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C(N)=O)cc1 ZINC000513448033 811523420 /nfs/dbraw/zinc/52/34/20/811523420.db2.gz PTIHVFVEIYJSLE-WOJBJXKFSA-N 2 2 364.449 1.441 20 30 FDEDLP N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C(N)=O)cc1 ZINC000513448033 811523429 /nfs/dbraw/zinc/52/34/29/811523429.db2.gz PTIHVFVEIYJSLE-WOJBJXKFSA-N 2 2 364.449 1.441 20 30 FDEDLP N#Cc1ccc(N[C@@H]2CCn3cc[nH+]c3C2)nc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000436324844 816425260 /nfs/dbraw/zinc/42/52/60/816425260.db2.gz YAMFOFHTPBAGJS-HZPDHXFCSA-N 2 2 374.452 2.200 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000517936920 817641470 /nfs/dbraw/zinc/64/14/70/817641470.db2.gz BTZIVLVGZAWWEY-QAPCUYQASA-N 2 2 353.474 1.059 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000517936920 817641472 /nfs/dbraw/zinc/64/14/72/817641472.db2.gz BTZIVLVGZAWWEY-QAPCUYQASA-N 2 2 353.474 1.059 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)C2CCCCCC2)C1 ZINC000179005811 820459385 /nfs/dbraw/zinc/45/93/85/820459385.db2.gz HHOUTVBYLNVTOD-KRWDZBQOSA-N 2 2 368.522 1.719 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)C2CCCCCC2)C1 ZINC000179005811 820459394 /nfs/dbraw/zinc/45/93/94/820459394.db2.gz HHOUTVBYLNVTOD-KRWDZBQOSA-N 2 2 368.522 1.719 20 30 FDEDLP C#CC[NH+]1CCC(Nc2cc[nH+]c(NC3CC[NH+](CC#C)CC3)n2)CC1 ZINC000895811466 822754833 /nfs/dbraw/zinc/75/48/33/822754833.db2.gz HRGCZPKNPPBSLS-UHFFFAOYSA-N 3 2 352.486 1.496 20 30 FDEDLP C#CC[NH+]1CCC(Nc2ccnc(NC3CC[NH+](CC#C)CC3)n2)CC1 ZINC000895811466 822754835 /nfs/dbraw/zinc/75/48/35/822754835.db2.gz HRGCZPKNPPBSLS-UHFFFAOYSA-N 2 2 352.486 1.496 20 30 FDEDLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000329212687 824672357 /nfs/dbraw/zinc/67/23/57/824672357.db2.gz IDQGPGJUGVKLSK-GOSISDBHSA-N 2 2 374.533 1.735 20 30 FDEDLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000329212687 824672367 /nfs/dbraw/zinc/67/23/67/824672367.db2.gz IDQGPGJUGVKLSK-GOSISDBHSA-N 2 2 374.533 1.735 20 30 FDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053595 825644244 /nfs/dbraw/zinc/64/42/44/825644244.db2.gz PMQLNAVKJRZYEI-AABGKKOBSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053595 825644248 /nfs/dbraw/zinc/64/42/48/825644248.db2.gz PMQLNAVKJRZYEI-AABGKKOBSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053595 825644250 /nfs/dbraw/zinc/64/42/50/825644250.db2.gz PMQLNAVKJRZYEI-AABGKKOBSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053595 825644252 /nfs/dbraw/zinc/64/42/52/825644252.db2.gz PMQLNAVKJRZYEI-AABGKKOBSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208445 827501383 /nfs/dbraw/zinc/50/13/83/827501383.db2.gz AATMNGILTQQGHF-HSALFYBXSA-N 2 2 361.530 1.844 20 30 FDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208445 827501386 /nfs/dbraw/zinc/50/13/86/827501386.db2.gz AATMNGILTQQGHF-HSALFYBXSA-N 2 2 361.530 1.844 20 30 FDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)C1 ZINC000528418330 829396115 /nfs/dbraw/zinc/39/61/15/829396115.db2.gz UVCYEJZJUBNUOX-RTBURBONSA-N 2 2 358.486 1.010 20 30 FDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)C1 ZINC000528418330 829396129 /nfs/dbraw/zinc/39/61/29/829396129.db2.gz UVCYEJZJUBNUOX-RTBURBONSA-N 2 2 358.486 1.010 20 30 FDEDLP C[NH+]=C(NCC(=O)NC1CCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160118203 848318718 /nfs/dbraw/zinc/31/87/18/848318718.db2.gz CCBATBZTQHCPLP-DOTOQJQBSA-N 2 2 360.506 1.790 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C)on4)C[C@H]32)CC1 ZINC001076604936 848554859 /nfs/dbraw/zinc/55/48/59/848554859.db2.gz YYAUWDMXUMRGFD-PKOBYXMFSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C)on4)C[C@H]32)CC1 ZINC001076604936 848554869 /nfs/dbraw/zinc/55/48/69/848554869.db2.gz YYAUWDMXUMRGFD-PKOBYXMFSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nocc4C)C[C@H]32)CC1 ZINC001076605695 848556014 /nfs/dbraw/zinc/55/60/14/848556014.db2.gz NJJSOAGNUSJKNE-PKOBYXMFSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nocc4C)C[C@H]32)CC1 ZINC001076605695 848556025 /nfs/dbraw/zinc/55/60/25/848556025.db2.gz NJJSOAGNUSJKNE-PKOBYXMFSA-N 2 2 356.470 1.361 20 30 FDEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077280534 850383078 /nfs/dbraw/zinc/38/30/78/850383078.db2.gz CAKYHVPNDVVBRC-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077280534 850383090 /nfs/dbraw/zinc/38/30/90/850383090.db2.gz CAKYHVPNDVVBRC-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077280534 850383102 /nfs/dbraw/zinc/38/31/02/850383102.db2.gz CAKYHVPNDVVBRC-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077280534 850383113 /nfs/dbraw/zinc/38/31/13/850383113.db2.gz CAKYHVPNDVVBRC-VAMGGRTRSA-N 2 2 370.497 1.340 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904089378 850953748 /nfs/dbraw/zinc/95/37/48/850953748.db2.gz JMYDJCAIZFZCJX-INIZCTEOSA-N 2 2 356.426 1.931 20 30 FDEDLP COc1cc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1C#N ZINC000462482181 868004240 /nfs/dbraw/zinc/00/42/40/868004240.db2.gz VWFJVBLPZNYNJS-UHFFFAOYSA-N 2 2 373.501 1.734 20 30 FDEDLP COc1cc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1C#N ZINC000462482181 868004247 /nfs/dbraw/zinc/00/42/47/868004247.db2.gz VWFJVBLPZNYNJS-UHFFFAOYSA-N 2 2 373.501 1.734 20 30 FDEDLP COCCO[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463276695 868428678 /nfs/dbraw/zinc/42/86/78/868428678.db2.gz ANINPNIIYUIOGZ-RTWAWAEBSA-N 2 2 373.497 1.933 20 30 FDEDLP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000762569047 876147993 /nfs/dbraw/zinc/14/79/93/876147993.db2.gz QDHZYRCJODNWOV-INIZCTEOSA-N 2 2 353.260 1.617 20 30 FDEDLP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000762569047 876147996 /nfs/dbraw/zinc/14/79/96/876147996.db2.gz QDHZYRCJODNWOV-INIZCTEOSA-N 2 2 353.260 1.617 20 30 FDEDLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000900044668 886842877 /nfs/dbraw/zinc/84/28/77/886842877.db2.gz FPGWAUPLGHEACB-AZUAARDMSA-N 2 2 356.470 1.048 20 30 FDEDLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900044668 886842922 /nfs/dbraw/zinc/84/29/22/886842922.db2.gz FPGWAUPLGHEACB-AZUAARDMSA-N 2 2 356.470 1.048 20 30 FDEDLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900044668 886842934 /nfs/dbraw/zinc/84/29/34/886842934.db2.gz FPGWAUPLGHEACB-AZUAARDMSA-N 2 2 356.470 1.048 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000373114325 887109146 /nfs/dbraw/zinc/10/91/46/887109146.db2.gz YMHZGNAZDGPTKP-MSOLQXFVSA-N 2 2 372.517 1.292 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000373114325 887109157 /nfs/dbraw/zinc/10/91/57/887109157.db2.gz YMHZGNAZDGPTKP-MSOLQXFVSA-N 2 2 372.517 1.292 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212428100 896899478 /nfs/dbraw/zinc/89/94/78/896899478.db2.gz OFRHVXSLFHBZQZ-NJDAHSKKSA-N 2 2 369.509 1.728 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212428100 896899487 /nfs/dbraw/zinc/89/94/87/896899487.db2.gz OFRHVXSLFHBZQZ-NJDAHSKKSA-N 2 2 369.509 1.728 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212428100 896899501 /nfs/dbraw/zinc/89/95/01/896899501.db2.gz OFRHVXSLFHBZQZ-NJDAHSKKSA-N 2 2 369.509 1.728 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212428100 896899509 /nfs/dbraw/zinc/89/95/09/896899509.db2.gz OFRHVXSLFHBZQZ-NJDAHSKKSA-N 2 2 369.509 1.728 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691538 904937097 /nfs/dbraw/zinc/93/70/97/904937097.db2.gz BWUCBAROUCKXFS-ZQNRLITLSA-N 2 2 374.460 1.353 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691538 904937101 /nfs/dbraw/zinc/93/71/01/904937101.db2.gz BWUCBAROUCKXFS-ZQNRLITLSA-N 2 2 374.460 1.353 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691538 904937105 /nfs/dbraw/zinc/93/71/05/904937105.db2.gz BWUCBAROUCKXFS-ZQNRLITLSA-N 2 2 374.460 1.353 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691538 904937106 /nfs/dbraw/zinc/93/71/06/904937106.db2.gz BWUCBAROUCKXFS-ZQNRLITLSA-N 2 2 374.460 1.353 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001107454380 905011944 /nfs/dbraw/zinc/01/19/44/905011944.db2.gz CDYRFHSCOVTCSZ-WAOWUJCRSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001107454380 905011963 /nfs/dbraw/zinc/01/19/63/905011963.db2.gz CDYRFHSCOVTCSZ-WAOWUJCRSA-N 2 2 370.497 1.456 20 30 FDEDLP CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000996775786 905347700 /nfs/dbraw/zinc/34/77/00/905347700.db2.gz ICRSZEGUNUNDJA-CSODTCANSA-N 2 2 369.513 1.582 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC001032411689 907906048 /nfs/dbraw/zinc/90/60/48/907906048.db2.gz VKEKYPFJJVYKKV-GRGSLBFTSA-N 2 2 368.481 1.692 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC001032411689 907906049 /nfs/dbraw/zinc/90/60/49/907906049.db2.gz VKEKYPFJJVYKKV-GRGSLBFTSA-N 2 2 368.481 1.692 20 30 FDEDLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C#N ZINC001032411689 907906054 /nfs/dbraw/zinc/90/60/54/907906054.db2.gz VKEKYPFJJVYKKV-GRGSLBFTSA-N 2 2 368.481 1.692 20 30 FDEDLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C#N ZINC001032411689 907906058 /nfs/dbraw/zinc/90/60/58/907906058.db2.gz VKEKYPFJJVYKKV-GRGSLBFTSA-N 2 2 368.481 1.692 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001212351109 908919057 /nfs/dbraw/zinc/91/90/57/908919057.db2.gz UIYNKYXQZWYIFN-HZPDHXFCSA-N 2 2 367.515 1.441 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001212351109 908919060 /nfs/dbraw/zinc/91/90/60/908919060.db2.gz UIYNKYXQZWYIFN-HZPDHXFCSA-N 2 2 367.515 1.441 20 30 FDEDLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084844427 917614306 /nfs/dbraw/zinc/61/43/06/917614306.db2.gz SPXIFAVEJKYCRB-AQNXPRMDSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084844427 917614311 /nfs/dbraw/zinc/61/43/11/917614311.db2.gz SPXIFAVEJKYCRB-AQNXPRMDSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084844427 917614314 /nfs/dbraw/zinc/61/43/14/917614314.db2.gz SPXIFAVEJKYCRB-AQNXPRMDSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084844427 917614321 /nfs/dbraw/zinc/61/43/21/917614321.db2.gz SPXIFAVEJKYCRB-AQNXPRMDSA-N 2 2 368.481 1.312 20 30 FDEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]21 ZINC001084942193 918637288 /nfs/dbraw/zinc/63/72/88/918637288.db2.gz HFQNVHIKGQSUDT-MKXGPGLRSA-N 2 2 352.482 1.710 20 30 FDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]21 ZINC001084942193 918637297 /nfs/dbraw/zinc/63/72/97/918637297.db2.gz HFQNVHIKGQSUDT-MKXGPGLRSA-N 2 2 352.482 1.710 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3conc3C)[C@H]2C1 ZINC001084960988 918906385 /nfs/dbraw/zinc/90/63/85/918906385.db2.gz DGCFSPYXUDVKHE-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3conc3C)[C@H]2C1 ZINC001084960988 918906387 /nfs/dbraw/zinc/90/63/87/918906387.db2.gz DGCFSPYXUDVKHE-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3conc3C)[C@H]2C1 ZINC001084960988 918906389 /nfs/dbraw/zinc/90/63/89/918906389.db2.gz DGCFSPYXUDVKHE-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3conc3C)[C@H]2C1 ZINC001084960988 918906396 /nfs/dbraw/zinc/90/63/96/918906396.db2.gz DGCFSPYXUDVKHE-NEWSRXKRSA-N 2 2 356.470 1.503 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986546 930973088 /nfs/dbraw/zinc/97/30/88/930973088.db2.gz ZZLBJZIDMGUDPO-DEICHXMPSA-N 2 2 371.485 1.173 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986546 930973090 /nfs/dbraw/zinc/97/30/90/930973090.db2.gz ZZLBJZIDMGUDPO-DEICHXMPSA-N 2 2 371.485 1.173 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902569 938561636 /nfs/dbraw/zinc/56/16/36/938561636.db2.gz SNFMETSYBPDSSU-SQNIBIBYSA-N 2 2 369.473 1.127 20 30 FDEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130024281 938628183 /nfs/dbraw/zinc/62/81/83/938628183.db2.gz QCJYDTVSQCGDNH-SJORKVTESA-N 2 2 359.478 1.556 20 30 FDEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001130057139 938646363 /nfs/dbraw/zinc/64/63/63/938646363.db2.gz KBJMPFWSLVUQEU-CVEARBPZSA-N 2 2 359.478 1.556 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130617165 939928630 /nfs/dbraw/zinc/92/86/30/939928630.db2.gz QUMJQECAQQCGOA-HNAYVOBHSA-N 2 2 362.437 1.518 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001130672459 939971465 /nfs/dbraw/zinc/97/14/65/939971465.db2.gz PVXBHUQFMQDFFU-RVKKMQEKSA-N 2 2 366.469 1.171 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130682683 939982391 /nfs/dbraw/zinc/98/23/91/939982391.db2.gz HUVISFGSVDYMJR-SOLBZPMBSA-N 2 2 356.474 1.728 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131079468 940492159 /nfs/dbraw/zinc/49/21/59/940492159.db2.gz MZHGFFOVVYUZNW-BRWVUGGUSA-N 2 2 354.458 1.175 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001131610526 940790398 /nfs/dbraw/zinc/79/03/98/940790398.db2.gz VHTPQQOOTPNLJN-QUCCMNQESA-N 2 2 358.486 1.672 20 30 FDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717881 971582219 /nfs/dbraw/zinc/58/22/19/971582219.db2.gz MWMBPHSZOCBXBK-OAGGEKHMSA-N 2 2 355.910 1.819 20 30 FDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717881 971582227 /nfs/dbraw/zinc/58/22/27/971582227.db2.gz MWMBPHSZOCBXBK-OAGGEKHMSA-N 2 2 355.910 1.819 20 30 FDEDLP C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847022248 951775736 /nfs/dbraw/zinc/77/57/36/951775736.db2.gz SUHALVKICSLCOP-MOPGFXCFSA-N 2 2 369.509 1.869 20 30 FDEDLP C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847022248 951775742 /nfs/dbraw/zinc/77/57/42/951775742.db2.gz SUHALVKICSLCOP-MOPGFXCFSA-N 2 2 369.509 1.869 20 30 FDEDLP C#C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000847029390 951780231 /nfs/dbraw/zinc/78/02/31/951780231.db2.gz MYHACQHQQGFQNF-SFHVURJKSA-N 2 2 355.482 1.480 20 30 FDEDLP C#C[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000847029390 951780236 /nfs/dbraw/zinc/78/02/36/951780236.db2.gz MYHACQHQQGFQNF-SFHVURJKSA-N 2 2 355.482 1.480 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nccs3)C[C@@]2(C)C1 ZINC001091748227 952794258 /nfs/dbraw/zinc/79/42/58/952794258.db2.gz GUQVFGPLOFATHF-GJYPPUQNSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nccs3)C[C@@]2(C)C1 ZINC001091748227 952794261 /nfs/dbraw/zinc/79/42/61/952794261.db2.gz GUQVFGPLOFATHF-GJYPPUQNSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@]2(C)C1 ZINC001091748227 952794264 /nfs/dbraw/zinc/79/42/64/952794264.db2.gz GUQVFGPLOFATHF-GJYPPUQNSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@]2(C)C1 ZINC001091748227 952794266 /nfs/dbraw/zinc/79/42/66/952794266.db2.gz GUQVFGPLOFATHF-GJYPPUQNSA-N 2 2 358.511 1.521 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086985196 953001246 /nfs/dbraw/zinc/00/12/46/953001246.db2.gz YBOVABJQYZORHP-SIXWZSSISA-N 2 2 368.485 1.327 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001086985196 953001249 /nfs/dbraw/zinc/00/12/49/953001249.db2.gz YBOVABJQYZORHP-SIXWZSSISA-N 2 2 368.485 1.327 20 30 FDEDLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087094091 953260834 /nfs/dbraw/zinc/26/08/34/953260834.db2.gz QVNALZCUGHHEPG-QZTJIDSGSA-N 2 2 367.453 1.477 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC001092690647 956202925 /nfs/dbraw/zinc/20/29/25/956202925.db2.gz SSKUOTPVXAXOKQ-KYJSFNMBSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC001092690647 956202935 /nfs/dbraw/zinc/20/29/35/956202935.db2.gz SSKUOTPVXAXOKQ-KYJSFNMBSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2csc(C)n2)C[C@H]1C ZINC001092690647 956202945 /nfs/dbraw/zinc/20/29/45/956202945.db2.gz SSKUOTPVXAXOKQ-KYJSFNMBSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2csc(C)n2)C[C@H]1C ZINC001092690647 956202949 /nfs/dbraw/zinc/20/29/49/956202949.db2.gz SSKUOTPVXAXOKQ-KYJSFNMBSA-N 2 2 360.527 1.733 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]ccc3OC)[C@H]2C(C)C)C[C@H]1O ZINC001093451704 958135489 /nfs/dbraw/zinc/13/54/89/958135489.db2.gz XAUWEKFNAQOMBT-JYWFKMLOSA-N 2 2 371.481 1.232 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094074494 959700297 /nfs/dbraw/zinc/70/02/97/959700297.db2.gz CZOKCZABBBJQAX-CZUORRHYSA-N 2 2 355.417 1.847 20 30 FDEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CCCO1 ZINC000775789930 972479824 /nfs/dbraw/zinc/47/98/24/972479824.db2.gz FJLPSHKNRQDGQP-YSIASYRMSA-N 2 2 355.482 1.662 20 30 FDEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001188517800 966351383 /nfs/dbraw/zinc/35/13/83/966351383.db2.gz FJWCKLIJDJKNFS-QFBILLFUSA-N 2 2 365.437 1.063 20 30 FDEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001188517800 966351397 /nfs/dbraw/zinc/35/13/97/966351397.db2.gz FJWCKLIJDJKNFS-QFBILLFUSA-N 2 2 365.437 1.063 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424707 966969465 /nfs/dbraw/zinc/96/94/65/966969465.db2.gz CVLZRORSQKLZSF-DLBZAZTESA-N 2 2 355.910 1.774 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424707 966969470 /nfs/dbraw/zinc/96/94/70/966969470.db2.gz CVLZRORSQKLZSF-DLBZAZTESA-N 2 2 355.910 1.774 20 30 FDEDLP O=C(C#CC1CC[NH2+]CC1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000852873330 967680414 /nfs/dbraw/zinc/68/04/14/967680414.db2.gz RXHSWHJERFKGNJ-UHFFFAOYSA-N 2 2 374.916 1.581 20 30 FDEDLP N#CCCN(CCC#N)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571699 979316819 /nfs/dbraw/zinc/31/68/19/979316819.db2.gz UBFIXTXJFLWDAS-GOSISDBHSA-N 2 2 350.426 1.870 20 30 FDEDLP COc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1C#N ZINC000883372019 982101513 /nfs/dbraw/zinc/10/15/13/982101513.db2.gz ITUSNKKYTANMOT-IBGZPJMESA-N 2 2 358.486 1.453 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000884177936 982949992 /nfs/dbraw/zinc/94/99/92/982949992.db2.gz XNSCUUPZERFNSM-JMDAGXMHSA-N 2 2 368.481 1.143 20 30 FDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000884177936 982949998 /nfs/dbraw/zinc/94/99/98/982949998.db2.gz XNSCUUPZERFNSM-JMDAGXMHSA-N 2 2 368.481 1.143 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000884210657 982987166 /nfs/dbraw/zinc/98/71/66/982987166.db2.gz GSMFZZOJZDJTKB-IRXDYDNUSA-N 2 2 351.491 1.548 20 30 FDEDLP C#CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427364 986204151 /nfs/dbraw/zinc/20/41/51/986204151.db2.gz IEXPREVYCPKKBA-GOSISDBHSA-N 2 2 365.518 1.778 20 30 FDEDLP C#CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427364 986204156 /nfs/dbraw/zinc/20/41/56/986204156.db2.gz IEXPREVYCPKKBA-GOSISDBHSA-N 2 2 365.518 1.778 20 30 FDEDLP Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364757160 989771883 /nfs/dbraw/zinc/77/18/83/989771883.db2.gz PKLUEDJBEBCYEK-MRXNPFEDSA-N 2 2 369.469 1.090 20 30 FDEDLP Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364757160 989771892 /nfs/dbraw/zinc/77/18/92/989771892.db2.gz PKLUEDJBEBCYEK-MRXNPFEDSA-N 2 2 369.469 1.090 20 30 FDEDLP N#CCOc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000371668387 990611433 /nfs/dbraw/zinc/61/14/33/990611433.db2.gz UASYSLKHCMNQIC-UHFFFAOYSA-N 2 2 358.486 1.475 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000876738687 992856614 /nfs/dbraw/zinc/85/66/14/992856614.db2.gz JWGSANFDBOMATC-INIZCTEOSA-N 2 2 367.877 1.484 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248139 993144612 /nfs/dbraw/zinc/14/46/12/993144612.db2.gz GTFRMACHEGYUIG-SJORKVTESA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248139 993144617 /nfs/dbraw/zinc/14/46/17/993144617.db2.gz GTFRMACHEGYUIG-SJORKVTESA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000877248297 993145145 /nfs/dbraw/zinc/14/51/45/993145145.db2.gz JQDHKEHAMCKMKK-SJORKVTESA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000877248297 993145147 /nfs/dbraw/zinc/14/51/47/993145147.db2.gz JQDHKEHAMCKMKK-SJORKVTESA-N 2 2 351.878 1.782 20 30 FDEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000467206214 993277761 /nfs/dbraw/zinc/27/77/61/993277761.db2.gz LNILXKZQNSSKRC-LJQANCHMSA-N 2 2 356.470 1.661 20 30 FDEDLP CCO[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000926820284 996321543 /nfs/dbraw/zinc/32/15/43/996321543.db2.gz DGWDLRXPEOWWEW-LJQANCHMSA-N 2 2 373.501 1.352 20 30 FDEDLP COC(=O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(=O)OC)C[C@@H]2C)[C@H](C)C1 ZINC000933168604 1005508671 /nfs/dbraw/zinc/50/86/71/1005508671.db2.gz XEAGJNYFGVPMQA-USTZCAOPSA-N 2 2 364.486 1.537 20 30 FDEDLP COC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)OC)C[C@@H]2C)[C@H](C)C1 ZINC000933168604 1005508674 /nfs/dbraw/zinc/50/86/74/1005508674.db2.gz XEAGJNYFGVPMQA-USTZCAOPSA-N 2 2 364.486 1.537 20 30 FDEDLP COC(=O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)C[C@@H]2C)[C@H](C)C1 ZINC000933168604 1005508677 /nfs/dbraw/zinc/50/86/77/1005508677.db2.gz XEAGJNYFGVPMQA-USTZCAOPSA-N 2 2 364.486 1.537 20 30 FDEDLP COC(=O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)C[C@@H]2C)[C@H](C)C1 ZINC000933168604 1005508680 /nfs/dbraw/zinc/50/86/80/1005508680.db2.gz XEAGJNYFGVPMQA-USTZCAOPSA-N 2 2 364.486 1.537 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111162758 1006545484 /nfs/dbraw/zinc/54/54/84/1006545484.db2.gz JADVLCSCPTVPFE-VXNCWWDNSA-N 2 2 364.534 1.377 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111162758 1006545494 /nfs/dbraw/zinc/54/54/94/1006545494.db2.gz JADVLCSCPTVPFE-VXNCWWDNSA-N 2 2 364.534 1.377 20 30 FDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000303776915 1009575707 /nfs/dbraw/zinc/57/57/07/1009575707.db2.gz ICFGSOFONHVGFS-IBGZPJMESA-N 3 2 361.534 1.696 20 30 FDEDLP C=CCN(CC=C)C(=O)CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779648046 1010643863 /nfs/dbraw/zinc/64/38/63/1010643863.db2.gz KRAJCNIZIHLLGF-SFHVURJKSA-N 2 2 372.469 1.586 20 30 FDEDLP C=CCN(CC=C)C(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779648046 1010643869 /nfs/dbraw/zinc/64/38/69/1010643869.db2.gz KRAJCNIZIHLLGF-SFHVURJKSA-N 2 2 372.469 1.586 20 30 FDEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516910961 539328104 /nfs/dbraw/zinc/32/81/04/539328104.db2.gz SMCJFDZEJVUESV-INIZCTEOSA-N 2 2 352.442 1.867 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132916 540814032 /nfs/dbraw/zinc/81/40/32/540814032.db2.gz FJMIOMUPCAIZRL-APWZRJJASA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132916 540814036 /nfs/dbraw/zinc/81/40/36/540814036.db2.gz FJMIOMUPCAIZRL-APWZRJJASA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000538132916 540814039 /nfs/dbraw/zinc/81/40/39/540814039.db2.gz FJMIOMUPCAIZRL-APWZRJJASA-N 2 2 351.539 1.387 20 30 FDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538132916 540814040 /nfs/dbraw/zinc/81/40/40/540814040.db2.gz FJMIOMUPCAIZRL-APWZRJJASA-N 2 2 351.539 1.387 20 30 FDEDLP Cc1nn(-c2cc[nH+]cc2)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000541538386 541226097 /nfs/dbraw/zinc/22/60/97/541226097.db2.gz PPGGWAYJAWVKCS-UHFFFAOYSA-N 2 2 354.458 1.624 20 30 FDEDLP N#CCC1CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000541955491 541306668 /nfs/dbraw/zinc/30/66/68/541306668.db2.gz ZNNTYIAICBLOJR-UHFFFAOYSA-N 2 2 370.497 1.761 20 30 FDEDLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(CC#N)CC3)CC2)cc1 ZINC000543807889 541665195 /nfs/dbraw/zinc/66/51/95/541665195.db2.gz SQNWUPDRMJGCOP-UHFFFAOYSA-N 2 2 370.497 1.965 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000369268782 260327234 /nfs/dbraw/zinc/32/72/34/260327234.db2.gz UQZHMJCPFDJGJU-MRXNPFEDSA-N 2 2 358.511 1.935 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000369268782 260327235 /nfs/dbraw/zinc/32/72/35/260327235.db2.gz UQZHMJCPFDJGJU-MRXNPFEDSA-N 2 2 358.511 1.935 20 30 FDEDLP C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000051851454 523088440 /nfs/dbraw/zinc/08/84/40/523088440.db2.gz ATPOSSFKWFYBFF-UHFFFAOYSA-N 2 2 368.481 1.281 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000111124890 524203354 /nfs/dbraw/zinc/20/33/54/524203354.db2.gz JIJXKYVOQWFGHU-NRFANRHFSA-N 2 2 369.509 1.391 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000141652272 524337217 /nfs/dbraw/zinc/33/72/17/524337217.db2.gz STCPZPJZRMAASH-GOSISDBHSA-N 2 2 369.469 1.125 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000141652272 524337221 /nfs/dbraw/zinc/33/72/21/524337221.db2.gz STCPZPJZRMAASH-GOSISDBHSA-N 2 2 369.469 1.125 20 30 FDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000091589224 524732788 /nfs/dbraw/zinc/73/27/88/524732788.db2.gz JPLYLVQBPWNPSD-IBGZPJMESA-N 2 2 363.550 1.485 20 30 FDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000091589224 524732798 /nfs/dbraw/zinc/73/27/98/524732798.db2.gz JPLYLVQBPWNPSD-IBGZPJMESA-N 2 2 363.550 1.485 20 30 FDEDLP COCCC[N@H+](C)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000154006384 525391859 /nfs/dbraw/zinc/39/18/59/525391859.db2.gz KPYYEFUQTRXCTC-UHFFFAOYSA-N 2 2 371.485 1.614 20 30 FDEDLP COCCC[N@@H+](C)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000154006384 525391865 /nfs/dbraw/zinc/39/18/65/525391865.db2.gz KPYYEFUQTRXCTC-UHFFFAOYSA-N 2 2 371.485 1.614 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000182894131 535883987 /nfs/dbraw/zinc/88/39/87/535883987.db2.gz JJDYNIUBKYHMSH-IBGZPJMESA-N 2 2 355.486 1.599 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000182894131 535883989 /nfs/dbraw/zinc/88/39/89/535883989.db2.gz JJDYNIUBKYHMSH-IBGZPJMESA-N 2 2 355.486 1.599 20 30 FDEDLP C#CCOc1cc(F)ccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267363354 536970393 /nfs/dbraw/zinc/97/03/93/536970393.db2.gz STGQABANRBQPMS-UHFFFAOYSA-N 2 2 362.449 1.985 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000264348532 537142079 /nfs/dbraw/zinc/14/20/79/537142079.db2.gz CFGQIZONTYWFIC-UHFFFAOYSA-N 2 2 373.501 1.758 20 30 FDEDLP CN(C)C(NCc1ccccc1)=[NH+]C[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000364399972 537391886 /nfs/dbraw/zinc/39/18/86/537391886.db2.gz AWSYDMSTGAFTGT-HXUWFJFHSA-N 2 2 360.502 1.575 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000376595419 537855387 /nfs/dbraw/zinc/85/53/87/537855387.db2.gz NHPPZINBUXMACL-QGZVFWFLSA-N 2 2 355.486 1.491 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000377833394 538032917 /nfs/dbraw/zinc/03/29/17/538032917.db2.gz YWOXEUFSRDTPSZ-INIZCTEOSA-N 2 2 361.515 1.659 20 30 FDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000377833394 538032924 /nfs/dbraw/zinc/03/29/24/538032924.db2.gz YWOXEUFSRDTPSZ-INIZCTEOSA-N 2 2 361.515 1.659 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000418721865 538100477 /nfs/dbraw/zinc/10/04/77/538100477.db2.gz MMKYGVSIIPICFZ-RBUKOAKNSA-N 2 2 355.486 1.903 20 30 FDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000451673034 538297823 /nfs/dbraw/zinc/29/78/23/538297823.db2.gz JVQAKFJZLXCUBL-MOPGFXCFSA-N 2 2 359.470 1.781 20 30 FDEDLP Cc1[nH+]ccn1CC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000497993987 538797346 /nfs/dbraw/zinc/79/73/46/538797346.db2.gz LPDVMHRKYSVTMA-UHFFFAOYSA-N 2 2 359.455 1.070 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000564986745 547146218 /nfs/dbraw/zinc/14/62/18/547146218.db2.gz UTEBQNVWFIWDJO-HXUWFJFHSA-N 2 2 362.437 1.328 20 30 FDEDLP N#Cc1cnn2cc(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000564986745 547146225 /nfs/dbraw/zinc/14/62/25/547146225.db2.gz UTEBQNVWFIWDJO-HXUWFJFHSA-N 2 2 362.437 1.328 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000565296990 547295248 /nfs/dbraw/zinc/29/52/48/547295248.db2.gz CHOVVUYRWNILRW-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000565296990 547295251 /nfs/dbraw/zinc/29/52/51/547295251.db2.gz CHOVVUYRWNILRW-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000565296990 547295253 /nfs/dbraw/zinc/29/52/53/547295253.db2.gz CHOVVUYRWNILRW-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000565296990 547295258 /nfs/dbraw/zinc/29/52/58/547295258.db2.gz CHOVVUYRWNILRW-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cnc4c(C#N)cnn4c3)[nH+]c2)C1 ZINC000569223523 548841157 /nfs/dbraw/zinc/84/11/57/548841157.db2.gz YPVBPHXRJWNSPT-QGZVFWFLSA-N 2 2 362.441 1.748 20 30 FDEDLP CC[NH+]1CCN(c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2F)CC1 ZINC000576521880 550558577 /nfs/dbraw/zinc/55/85/77/550558577.db2.gz UJFUJSFVPPHIAW-IBGZPJMESA-N 2 2 361.465 1.541 20 30 FDEDLP CC[NH+]1CCN(c2ccc(NC[C@H](O)C[N@H+](C)CCC#N)c(C)c2)CC1 ZINC000591773502 551907786 /nfs/dbraw/zinc/90/77/86/551907786.db2.gz CRNCXMSNSLNIGN-IBGZPJMESA-N 2 2 359.518 1.755 20 30 FDEDLP CC[NH+]1CCN(c2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)c(C)c2)CC1 ZINC000591773502 551907788 /nfs/dbraw/zinc/90/77/88/551907788.db2.gz CRNCXMSNSLNIGN-IBGZPJMESA-N 2 2 359.518 1.755 20 30 FDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000593990269 552235238 /nfs/dbraw/zinc/23/52/38/552235238.db2.gz AADGXDDLWODPEA-YLJYHZDGSA-N 2 2 373.497 1.677 20 30 FDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000593990269 552235240 /nfs/dbraw/zinc/23/52/40/552235240.db2.gz AADGXDDLWODPEA-YLJYHZDGSA-N 2 2 373.497 1.677 20 30 FDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000594439402 552310319 /nfs/dbraw/zinc/31/03/19/552310319.db2.gz VIPWLXNZMQMZRA-RTBURBONSA-N 2 2 358.486 1.457 20 30 FDEDLP N#Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000594500290 552326636 /nfs/dbraw/zinc/32/66/36/552326636.db2.gz MGXZNVRZDWZNEJ-UXHICEINSA-N 2 2 368.481 1.502 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000594804429 552391455 /nfs/dbraw/zinc/39/14/55/552391455.db2.gz ZLZUJUNPFNCWRD-ZDUSSCGKSA-N 2 2 372.922 1.762 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@]3(OCCO)CCOC3)CC2)cc1 ZINC000594974486 552429965 /nfs/dbraw/zinc/42/99/65/552429965.db2.gz KFEMZZCFYZFOJO-FQEVSTJZSA-N 2 2 359.470 1.280 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1C#N ZINC000597991725 552853622 /nfs/dbraw/zinc/85/36/22/552853622.db2.gz HIPHSCJFNMSFCE-UHFFFAOYSA-N 2 2 367.291 1.934 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Br)cc1C#N ZINC000597991725 552853623 /nfs/dbraw/zinc/85/36/23/552853623.db2.gz HIPHSCJFNMSFCE-UHFFFAOYSA-N 2 2 367.291 1.934 20 30 FDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000598719410 552927997 /nfs/dbraw/zinc/92/79/97/552927997.db2.gz HWNUEIGALCEDMW-GOSISDBHSA-N 2 2 361.486 1.788 20 30 FDEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000611392683 554630492 /nfs/dbraw/zinc/63/04/92/554630492.db2.gz CXERRGVNURSMHF-CTNGQTDRSA-N 2 2 354.498 1.932 20 30 FDEDLP C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000615231868 555177029 /nfs/dbraw/zinc/17/70/29/555177029.db2.gz IVNIBDDYKDQKGF-FQEVSTJZSA-N 2 2 356.470 1.118 20 30 FDEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615231868 555177031 /nfs/dbraw/zinc/17/70/31/555177031.db2.gz IVNIBDDYKDQKGF-FQEVSTJZSA-N 2 2 356.470 1.118 20 30 FDEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615231868 555177033 /nfs/dbraw/zinc/17/70/33/555177033.db2.gz IVNIBDDYKDQKGF-FQEVSTJZSA-N 2 2 356.470 1.118 20 30 FDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000735399705 599488216 /nfs/dbraw/zinc/48/82/16/599488216.db2.gz TWEZKWSMPBWQMH-UHFFFAOYSA-N 2 2 352.446 1.645 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083131049 671471933 /nfs/dbraw/zinc/47/19/33/671471933.db2.gz RCHKVHBBTRNORD-OWCLPIDISA-N 3 2 351.539 1.276 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083131049 671471936 /nfs/dbraw/zinc/47/19/36/671471936.db2.gz RCHKVHBBTRNORD-OWCLPIDISA-N 3 2 351.539 1.276 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083131049 671471938 /nfs/dbraw/zinc/47/19/38/671471938.db2.gz RCHKVHBBTRNORD-OWCLPIDISA-N 3 2 351.539 1.276 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083131049 671471940 /nfs/dbraw/zinc/47/19/40/671471940.db2.gz RCHKVHBBTRNORD-OWCLPIDISA-N 3 2 351.539 1.276 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083175131 671472141 /nfs/dbraw/zinc/47/21/41/671472141.db2.gz VUCMMHDPIBXJDB-MRXNPFEDSA-N 3 2 365.591 1.750 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083175131 671472146 /nfs/dbraw/zinc/47/21/46/671472146.db2.gz VUCMMHDPIBXJDB-MRXNPFEDSA-N 3 2 365.591 1.750 20 30 FDEDLP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000083175131 671472148 /nfs/dbraw/zinc/47/21/48/671472148.db2.gz VUCMMHDPIBXJDB-MRXNPFEDSA-N 2 2 365.591 1.750 20 30 FDEDLP COc1ccc([C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[NH+](C)C)cc1OC ZINC000195522058 672408152 /nfs/dbraw/zinc/40/81/52/672408152.db2.gz SSBAWFHRLPQBPZ-GJZGRUSLSA-N 2 2 350.463 1.390 20 30 FDEDLP CC[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261953316 672701158 /nfs/dbraw/zinc/70/11/58/672701158.db2.gz IBPVIQBQTRUUTA-UHFFFAOYSA-N 2 2 358.552 1.335 20 30 FDEDLP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262011492 672711890 /nfs/dbraw/zinc/71/18/90/672711890.db2.gz WSQBJRAYNCDYPA-UHFFFAOYSA-N 2 2 372.579 1.725 20 30 FDEDLP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000328658336 676600976 /nfs/dbraw/zinc/60/09/76/676600976.db2.gz QWDLIDHEAKXURF-AEFFLSMTSA-N 2 2 370.563 1.430 20 30 FDEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000328658336 676600978 /nfs/dbraw/zinc/60/09/78/676600978.db2.gz QWDLIDHEAKXURF-AEFFLSMTSA-N 2 2 370.563 1.430 20 30 FDEDLP C=CC[N@@H+](C)CCN(CC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000411645611 679056583 /nfs/dbraw/zinc/05/65/83/679056583.db2.gz SZRJPBAUXHEOJL-UHFFFAOYSA-N 2 2 364.559 1.832 20 30 FDEDLP C=CC[N@H+](C)CCN(CC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000411645611 679056585 /nfs/dbraw/zinc/05/65/85/679056585.db2.gz SZRJPBAUXHEOJL-UHFFFAOYSA-N 2 2 364.559 1.832 20 30 FDEDLP N#Cc1ccsc1NC(=O)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000520234810 690299635 /nfs/dbraw/zinc/29/96/35/690299635.db2.gz FPHLAPRGMOWVMB-UHFFFAOYSA-N 2 2 362.499 1.775 20 30 FDEDLP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083193227 771089290 /nfs/dbraw/zinc/08/92/90/771089290.db2.gz HLYKJWRVIONFFI-FFZOFVMBSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083193227 771089304 /nfs/dbraw/zinc/08/93/04/771089304.db2.gz HLYKJWRVIONFFI-FFZOFVMBSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083193227 771089310 /nfs/dbraw/zinc/08/93/10/771089310.db2.gz HLYKJWRVIONFFI-FFZOFVMBSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083193429 771095809 /nfs/dbraw/zinc/09/58/09/771095809.db2.gz RLTFDTBQUMSMSV-FFZOFVMBSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083193429 771095819 /nfs/dbraw/zinc/09/58/19/771095819.db2.gz RLTFDTBQUMSMSV-FFZOFVMBSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083193429 771095826 /nfs/dbraw/zinc/09/58/26/771095826.db2.gz RLTFDTBQUMSMSV-FFZOFVMBSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083193429 771095833 /nfs/dbraw/zinc/09/58/33/771095833.db2.gz RLTFDTBQUMSMSV-FFZOFVMBSA-N 2 2 368.481 1.454 20 30 FDEDLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969958169 771118670 /nfs/dbraw/zinc/11/86/70/771118670.db2.gz JGZXAQDKQWXCDC-SPYBWZPUSA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969958169 771118678 /nfs/dbraw/zinc/11/86/78/771118678.db2.gz JGZXAQDKQWXCDC-SPYBWZPUSA-N 2 2 356.470 1.214 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncc(C)o2)C1 ZINC001104306263 774441811 /nfs/dbraw/zinc/44/18/11/774441811.db2.gz UIUQXBRMAQPVPQ-NXHRZFHOSA-N 2 2 358.486 1.655 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncc(C)o2)C1 ZINC001104306263 774441815 /nfs/dbraw/zinc/44/18/15/774441815.db2.gz UIUQXBRMAQPVPQ-NXHRZFHOSA-N 2 2 358.486 1.655 20 30 FDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104367510 777951053 /nfs/dbraw/zinc/95/10/53/777951053.db2.gz WOXDAKSYAUNSKQ-KURKYZTESA-N 2 2 360.502 1.722 20 30 FDEDLP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1C#N ZINC001022228973 778778680 /nfs/dbraw/zinc/77/86/80/778778680.db2.gz SAQOVAOMAGTEEA-YYIAUSFCSA-N 2 2 365.437 1.830 20 30 FDEDLP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1C#N ZINC001022228973 778778687 /nfs/dbraw/zinc/77/86/87/778778687.db2.gz SAQOVAOMAGTEEA-YYIAUSFCSA-N 2 2 365.437 1.830 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3C#N)C2)O1 ZINC000971782441 779072890 /nfs/dbraw/zinc/07/28/90/779072890.db2.gz WAPGLKKLDIEUFE-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3C#N)C2)O1 ZINC000971782441 779072892 /nfs/dbraw/zinc/07/28/92/779072892.db2.gz WAPGLKKLDIEUFE-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)O1 ZINC000971782441 779072900 /nfs/dbraw/zinc/07/29/00/779072900.db2.gz WAPGLKKLDIEUFE-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)O1 ZINC000971782441 779072907 /nfs/dbraw/zinc/07/29/07/779072907.db2.gz WAPGLKKLDIEUFE-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C=CCCn1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000657292540 781499838 /nfs/dbraw/zinc/49/98/38/781499838.db2.gz MHMCQKUFBZLJJI-UHFFFAOYSA-N 2 2 354.502 1.762 20 30 FDEDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000377617639 792333734 /nfs/dbraw/zinc/33/37/34/792333734.db2.gz AVGXEPJVFHTXSA-SFHVURJKSA-N 2 2 352.486 1.665 20 30 FDEDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000377617639 792333746 /nfs/dbraw/zinc/33/37/46/792333746.db2.gz AVGXEPJVFHTXSA-SFHVURJKSA-N 2 2 352.486 1.665 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974883391 800484476 /nfs/dbraw/zinc/48/44/76/800484476.db2.gz WTILIVXCUKTXIJ-SQNIBIBYSA-N 2 2 365.518 1.269 20 30 FDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974883391 800484479 /nfs/dbraw/zinc/48/44/79/800484479.db2.gz WTILIVXCUKTXIJ-SQNIBIBYSA-N 2 2 365.518 1.269 20 30 FDEDLP C=CC[C@@]1(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CCC[NH2+]1 ZINC000662796220 803290162 /nfs/dbraw/zinc/29/01/62/803290162.db2.gz JDDHAFBRLBEJJI-NRFANRHFSA-N 2 2 373.497 1.917 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000663668632 808406133 /nfs/dbraw/zinc/40/61/33/808406133.db2.gz PWNMCUVSNBGQFO-RBUKOAKNSA-N 2 2 364.534 1.801 20 30 FDEDLP C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261963424 811355519 /nfs/dbraw/zinc/35/55/19/811355519.db2.gz KVGKBIFXIMLLBK-LSDHHAIUSA-N 2 2 356.478 1.469 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncc(C)o3)CC[C@@H]2C1 ZINC001087997899 825073448 /nfs/dbraw/zinc/07/34/48/825073448.db2.gz GCTZWMICHANRMQ-SQNIBIBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncc(C)o3)CC[C@@H]2C1 ZINC001087997899 825073456 /nfs/dbraw/zinc/07/34/56/825073456.db2.gz GCTZWMICHANRMQ-SQNIBIBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncc(C)o3)CC[C@@H]2C1 ZINC001087997899 825073464 /nfs/dbraw/zinc/07/34/64/825073464.db2.gz GCTZWMICHANRMQ-SQNIBIBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncc(C)o3)CC[C@@H]2C1 ZINC001087997899 825073467 /nfs/dbraw/zinc/07/34/67/825073467.db2.gz GCTZWMICHANRMQ-SQNIBIBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)oc3C)CC[C@@H]2C1 ZINC001087997886 825073875 /nfs/dbraw/zinc/07/38/75/825073875.db2.gz FBQOXUGJGULYJJ-HBFSDRIKSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)oc3C)CC[C@@H]2C1 ZINC001087997886 825073883 /nfs/dbraw/zinc/07/38/83/825073883.db2.gz FBQOXUGJGULYJJ-HBFSDRIKSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nc(C)oc3C)CC[C@@H]2C1 ZINC001087997886 825073888 /nfs/dbraw/zinc/07/38/88/825073888.db2.gz FBQOXUGJGULYJJ-HBFSDRIKSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nc(C)oc3C)CC[C@@H]2C1 ZINC001087997886 825073892 /nfs/dbraw/zinc/07/38/92/825073892.db2.gz FBQOXUGJGULYJJ-HBFSDRIKSA-N 2 2 370.497 1.669 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncc(F)c3)CC[C@@H]2C1 ZINC001087997984 825075693 /nfs/dbraw/zinc/07/56/93/825075693.db2.gz LDVYIWFHLHCQLH-HBFSDRIKSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncc(F)c3)CC[C@@H]2C1 ZINC001087997984 825075694 /nfs/dbraw/zinc/07/56/94/825075694.db2.gz LDVYIWFHLHCQLH-HBFSDRIKSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cncc(F)c3)CC[C@@H]2C1 ZINC001087997984 825075706 /nfs/dbraw/zinc/07/57/06/825075706.db2.gz LDVYIWFHLHCQLH-HBFSDRIKSA-N 2 2 370.472 1.599 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cncc(F)c3)CC[C@@H]2C1 ZINC001087997984 825075715 /nfs/dbraw/zinc/07/57/15/825075715.db2.gz LDVYIWFHLHCQLH-HBFSDRIKSA-N 2 2 370.472 1.599 20 30 FDEDLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000329783915 825451750 /nfs/dbraw/zinc/45/17/50/825451750.db2.gz VOHJUXHOOIHGJJ-AUUYWEPGSA-N 2 2 374.533 1.551 20 30 FDEDLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000329783915 825451753 /nfs/dbraw/zinc/45/17/53/825451753.db2.gz VOHJUXHOOIHGJJ-AUUYWEPGSA-N 2 2 374.533 1.551 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(N(C)C)c2)[C@@H]1C ZINC001088630818 838620341 /nfs/dbraw/zinc/62/03/41/838620341.db2.gz BHFZJYKBZHSDDQ-QMMLZNLJSA-N 2 2 368.525 1.929 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)[C@@H]1C ZINC001088630818 838620346 /nfs/dbraw/zinc/62/03/46/838620346.db2.gz BHFZJYKBZHSDDQ-QMMLZNLJSA-N 2 2 368.525 1.929 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(N(C)C)c2)[C@@H]1C ZINC001088630818 838620351 /nfs/dbraw/zinc/62/03/51/838620351.db2.gz BHFZJYKBZHSDDQ-QMMLZNLJSA-N 2 2 368.525 1.929 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(N(C)C)c2)[C@@H]1C ZINC001088630818 838620354 /nfs/dbraw/zinc/62/03/54/838620354.db2.gz BHFZJYKBZHSDDQ-QMMLZNLJSA-N 2 2 368.525 1.929 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2N(C)C)[C@@H]1C ZINC001088631024 838621699 /nfs/dbraw/zinc/62/16/99/838621699.db2.gz NVLQBAVBUGUNBI-LMNJBCLMSA-N 2 2 368.525 1.929 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)[C@@H]1C ZINC001088631024 838621720 /nfs/dbraw/zinc/62/17/20/838621720.db2.gz NVLQBAVBUGUNBI-LMNJBCLMSA-N 2 2 368.525 1.929 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2N(C)C)[C@@H]1C ZINC001088631024 838621730 /nfs/dbraw/zinc/62/17/30/838621730.db2.gz NVLQBAVBUGUNBI-LMNJBCLMSA-N 2 2 368.525 1.929 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2N(C)C)[C@@H]1C ZINC001088631024 838621740 /nfs/dbraw/zinc/62/17/40/838621740.db2.gz NVLQBAVBUGUNBI-LMNJBCLMSA-N 2 2 368.525 1.929 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088658511 839461821 /nfs/dbraw/zinc/46/18/21/839461821.db2.gz FJNOLHCBGDWFDU-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088658511 839461828 /nfs/dbraw/zinc/46/18/28/839461828.db2.gz FJNOLHCBGDWFDU-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001088658511 839461833 /nfs/dbraw/zinc/46/18/33/839461833.db2.gz FJNOLHCBGDWFDU-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001088658511 839461838 /nfs/dbraw/zinc/46/18/38/839461838.db2.gz FJNOLHCBGDWFDU-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088815125 845643043 /nfs/dbraw/zinc/64/30/43/845643043.db2.gz ZHOIQDAUDIIQFX-GIVPXCGWSA-N 2 2 369.509 1.726 20 30 FDEDLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088815125 845643045 /nfs/dbraw/zinc/64/30/45/845643045.db2.gz ZHOIQDAUDIIQFX-GIVPXCGWSA-N 2 2 369.509 1.726 20 30 FDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088815125 845643050 /nfs/dbraw/zinc/64/30/50/845643050.db2.gz ZHOIQDAUDIIQFX-GIVPXCGWSA-N 2 2 369.509 1.726 20 30 FDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088815125 845643054 /nfs/dbraw/zinc/64/30/54/845643054.db2.gz ZHOIQDAUDIIQFX-GIVPXCGWSA-N 2 2 369.509 1.726 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1O ZINC001083535679 846921523 /nfs/dbraw/zinc/92/15/23/846921523.db2.gz FRUUNFFITWVBAU-HKBOAZHASA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1O ZINC001083535679 846921531 /nfs/dbraw/zinc/92/15/31/846921531.db2.gz FRUUNFFITWVBAU-HKBOAZHASA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C2CC2)C[C@@H]1O ZINC001083535679 846921538 /nfs/dbraw/zinc/92/15/38/846921538.db2.gz FRUUNFFITWVBAU-HKBOAZHASA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C2CC2)C[C@@H]1O ZINC001083535679 846921544 /nfs/dbraw/zinc/92/15/44/846921544.db2.gz FRUUNFFITWVBAU-HKBOAZHASA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@@H]1O ZINC001083535891 846923726 /nfs/dbraw/zinc/92/37/26/846923726.db2.gz SCHFUJFXXGFNHJ-HKBOAZHASA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(CC)cc2)C[C@@H]1O ZINC001083535891 846923732 /nfs/dbraw/zinc/92/37/32/846923732.db2.gz SCHFUJFXXGFNHJ-HKBOAZHASA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(CC)cc2)C[C@@H]1O ZINC001083535891 846923736 /nfs/dbraw/zinc/92/37/36/846923736.db2.gz SCHFUJFXXGFNHJ-HKBOAZHASA-N 2 2 369.509 1.050 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(CC)cc2)C[C@@H]1O ZINC001083535891 846923743 /nfs/dbraw/zinc/92/37/43/846923743.db2.gz SCHFUJFXXGFNHJ-HKBOAZHASA-N 2 2 369.509 1.050 20 30 FDEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083593098 852179510 /nfs/dbraw/zinc/17/95/10/852179510.db2.gz DAVUPBYCAAXIQG-AABGKKOBSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083593098 852179513 /nfs/dbraw/zinc/17/95/13/852179513.db2.gz DAVUPBYCAAXIQG-AABGKKOBSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083593098 852179516 /nfs/dbraw/zinc/17/95/16/852179516.db2.gz DAVUPBYCAAXIQG-AABGKKOBSA-N 2 2 370.497 1.340 20 30 FDEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083593098 852179519 /nfs/dbraw/zinc/17/95/19/852179519.db2.gz DAVUPBYCAAXIQG-AABGKKOBSA-N 2 2 370.497 1.340 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001033186134 881695944 /nfs/dbraw/zinc/69/59/44/881695944.db2.gz UFTUZKSRFVRKFD-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001033186134 881695959 /nfs/dbraw/zinc/69/59/59/881695959.db2.gz UFTUZKSRFVRKFD-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001033186134 881695972 /nfs/dbraw/zinc/69/59/72/881695972.db2.gz UFTUZKSRFVRKFD-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001033186134 881695983 /nfs/dbraw/zinc/69/59/83/881695983.db2.gz UFTUZKSRFVRKFD-AYOQOUSVSA-N 2 2 356.470 1.310 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000913873758 869873000 /nfs/dbraw/zinc/87/30/00/869873000.db2.gz RRNDBZRMNRTMOW-HXUWFJFHSA-N 2 2 370.497 1.284 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000913873758 869873017 /nfs/dbraw/zinc/87/30/17/869873017.db2.gz RRNDBZRMNRTMOW-HXUWFJFHSA-N 2 2 370.497 1.284 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106291720 874540925 /nfs/dbraw/zinc/54/09/25/874540925.db2.gz JCBVMTJDADMUTO-GUDVDZBRSA-N 2 2 360.502 1.804 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318541 874768699 /nfs/dbraw/zinc/76/86/99/874768699.db2.gz HDLFPLCKLTWETC-IIAWOOMASA-N 2 2 369.469 1.551 20 30 FDEDLP CO[C@H]1C[C@@H](C[NH2+]Cc2csc(C#N)c2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC000922323622 877614898 /nfs/dbraw/zinc/61/48/98/877614898.db2.gz TYOHMSIUUOYSJL-GJZGRUSLSA-N 2 2 372.498 1.859 20 30 FDEDLP Cc1cc(C=N[S@@](=O)C(C)(C)C)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168735983 879557351 /nfs/dbraw/zinc/55/73/51/879557351.db2.gz JGDPAFVJUNHFIZ-OOZHPRAUSA-N 2 2 364.519 1.865 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033874950 883309941 /nfs/dbraw/zinc/30/99/41/883309941.db2.gz MHCLDUFFHSDWOW-HLAWJBBLSA-N 2 2 369.509 1.680 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033874950 883309960 /nfs/dbraw/zinc/30/99/60/883309960.db2.gz MHCLDUFFHSDWOW-HLAWJBBLSA-N 2 2 369.509 1.680 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033874950 883309980 /nfs/dbraw/zinc/30/99/80/883309980.db2.gz MHCLDUFFHSDWOW-HLAWJBBLSA-N 2 2 369.509 1.680 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033874950 883310000 /nfs/dbraw/zinc/31/00/00/883310000.db2.gz MHCLDUFFHSDWOW-HLAWJBBLSA-N 2 2 369.509 1.680 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001212279698 889263756 /nfs/dbraw/zinc/26/37/56/889263756.db2.gz SMAWOBKFTLCWQZ-IAGOWNOFSA-N 2 2 358.442 1.274 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001212279698 889263767 /nfs/dbraw/zinc/26/37/67/889263767.db2.gz SMAWOBKFTLCWQZ-IAGOWNOFSA-N 2 2 358.442 1.274 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C)nc3C)C[C@H]21 ZINC001084418121 914382432 /nfs/dbraw/zinc/38/24/32/914382432.db2.gz WOFONUYFKITNFR-QHAWAJNXSA-N 2 2 366.509 1.829 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C)nc3C)C[C@H]21 ZINC001084418121 914382443 /nfs/dbraw/zinc/38/24/43/914382443.db2.gz WOFONUYFKITNFR-QHAWAJNXSA-N 2 2 366.509 1.829 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C)nc3C)C[C@H]21 ZINC001084418121 914382467 /nfs/dbraw/zinc/38/24/67/914382467.db2.gz WOFONUYFKITNFR-QHAWAJNXSA-N 2 2 366.509 1.829 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C)nc3C)C[C@H]21 ZINC001084418121 914382489 /nfs/dbraw/zinc/38/24/89/914382489.db2.gz WOFONUYFKITNFR-QHAWAJNXSA-N 2 2 366.509 1.829 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1F ZINC001079300928 902347674 /nfs/dbraw/zinc/34/76/74/902347674.db2.gz VQYMLIRHNZABFB-VDZJLULYSA-N 2 2 366.440 1.802 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699552 904980236 /nfs/dbraw/zinc/98/02/36/904980236.db2.gz CKGXRZNISPBGEK-FGTMMUONSA-N 2 2 361.490 1.572 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699552 904980239 /nfs/dbraw/zinc/98/02/39/904980239.db2.gz CKGXRZNISPBGEK-FGTMMUONSA-N 2 2 361.490 1.572 20 30 FDEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699552 904980246 /nfs/dbraw/zinc/98/02/46/904980246.db2.gz CKGXRZNISPBGEK-FGTMMUONSA-N 2 2 361.490 1.572 20 30 FDEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699552 904980255 /nfs/dbraw/zinc/98/02/55/904980255.db2.gz CKGXRZNISPBGEK-FGTMMUONSA-N 2 2 361.490 1.572 20 30 FDEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)C1 ZINC001080446866 905450679 /nfs/dbraw/zinc/45/06/79/905450679.db2.gz RZVROAQYHPKVQH-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)C1 ZINC001080446866 905450688 /nfs/dbraw/zinc/45/06/88/905450688.db2.gz RZVROAQYHPKVQH-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)C1 ZINC001080446866 905450696 /nfs/dbraw/zinc/45/06/96/905450696.db2.gz RZVROAQYHPKVQH-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)C1 ZINC001080446866 905450708 /nfs/dbraw/zinc/45/07/08/905450708.db2.gz RZVROAQYHPKVQH-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)C1=O ZINC001107562234 905638927 /nfs/dbraw/zinc/63/89/27/905638927.db2.gz ZZKFCWSFMNLEHW-MBOZVWFJSA-N 2 2 371.485 1.100 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)C1=O ZINC001107562234 905638931 /nfs/dbraw/zinc/63/89/31/905638931.db2.gz ZZKFCWSFMNLEHW-MBOZVWFJSA-N 2 2 371.485 1.100 20 30 FDEDLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21)[NH+](C)C ZINC001083119282 911925589 /nfs/dbraw/zinc/92/55/89/911925589.db2.gz KWAWCCNSCZSHPI-CEXWTWQISA-N 2 2 356.470 1.310 20 30 FDEDLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21)[NH+](C)C ZINC001083119282 911925590 /nfs/dbraw/zinc/92/55/90/911925590.db2.gz KWAWCCNSCZSHPI-CEXWTWQISA-N 2 2 356.470 1.310 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084844651 917645746 /nfs/dbraw/zinc/64/57/46/917645746.db2.gz BVGSFMLWTOJVNP-VAMGGRTRSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084844651 917645751 /nfs/dbraw/zinc/64/57/51/917645751.db2.gz BVGSFMLWTOJVNP-VAMGGRTRSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084844651 917645759 /nfs/dbraw/zinc/64/57/59/917645759.db2.gz BVGSFMLWTOJVNP-VAMGGRTRSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084844651 917645769 /nfs/dbraw/zinc/64/57/69/917645769.db2.gz BVGSFMLWTOJVNP-VAMGGRTRSA-N 2 2 368.481 1.312 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C)n(C)n4)C[C@H]32)CC1 ZINC001084850915 917656650 /nfs/dbraw/zinc/65/66/50/917656650.db2.gz CQUBNFWOPURZKY-UYAOXDASSA-N 2 2 369.513 1.106 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C)n(C)n4)C[C@H]32)CC1 ZINC001084850915 917656658 /nfs/dbraw/zinc/65/66/58/917656658.db2.gz CQUBNFWOPURZKY-UYAOXDASSA-N 2 2 369.513 1.106 20 30 FDEDLP C=C(Br)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084903495 918147862 /nfs/dbraw/zinc/14/78/62/918147862.db2.gz FNKMLOPAGXFGRM-KFWWJZLASA-N 2 2 356.308 1.912 20 30 FDEDLP C=C(Br)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084903495 918147867 /nfs/dbraw/zinc/14/78/67/918147867.db2.gz FNKMLOPAGXFGRM-KFWWJZLASA-N 2 2 356.308 1.912 20 30 FDEDLP C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084903495 918147875 /nfs/dbraw/zinc/14/78/75/918147875.db2.gz FNKMLOPAGXFGRM-KFWWJZLASA-N 2 2 356.308 1.912 20 30 FDEDLP C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084903495 918147881 /nfs/dbraw/zinc/14/78/81/918147881.db2.gz FNKMLOPAGXFGRM-KFWWJZLASA-N 2 2 356.308 1.912 20 30 FDEDLP C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001065703257 922429650 /nfs/dbraw/zinc/42/96/50/922429650.db2.gz AUQHUIVZLZHGPJ-KZNAEPCWSA-N 2 2 362.518 1.038 20 30 FDEDLP C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001065703257 922429659 /nfs/dbraw/zinc/42/96/59/922429659.db2.gz AUQHUIVZLZHGPJ-KZNAEPCWSA-N 2 2 362.518 1.038 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085281590 923481687 /nfs/dbraw/zinc/48/16/87/923481687.db2.gz AKBQTWAMRJIGBJ-MKXGPGLRSA-N 2 2 365.518 1.459 20 30 FDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231138 925709272 /nfs/dbraw/zinc/70/92/72/925709272.db2.gz MBYKKAVGQBWNME-DYXWJJEUSA-N 2 2 357.498 1.725 20 30 FDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231138 925709276 /nfs/dbraw/zinc/70/92/76/925709276.db2.gz MBYKKAVGQBWNME-DYXWJJEUSA-N 2 2 357.498 1.725 20 30 FDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231138 925709280 /nfs/dbraw/zinc/70/92/80/925709280.db2.gz MBYKKAVGQBWNME-DYXWJJEUSA-N 2 2 357.498 1.725 20 30 FDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231138 925709284 /nfs/dbraw/zinc/70/92/84/925709284.db2.gz MBYKKAVGQBWNME-DYXWJJEUSA-N 2 2 357.498 1.725 20 30 FDEDLP N#Cc1c2c(cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO)CCN2Cc1ccccc1 ZINC001169070875 928260540 /nfs/dbraw/zinc/26/05/40/928260540.db2.gz FCCPISGBUJKXTJ-QGZVFWFLSA-N 2 2 374.448 1.564 20 30 FDEDLP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086624913 938516032 /nfs/dbraw/zinc/51/60/32/938516032.db2.gz AQANKEQJCUZRSO-ZCNNSNEGSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086624913 938516035 /nfs/dbraw/zinc/51/60/35/938516035.db2.gz AQANKEQJCUZRSO-ZCNNSNEGSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001086624913 938516037 /nfs/dbraw/zinc/51/60/37/938516037.db2.gz AQANKEQJCUZRSO-ZCNNSNEGSA-N 2 2 355.482 1.315 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001086624913 938516039 /nfs/dbraw/zinc/51/60/39/938516039.db2.gz AQANKEQJCUZRSO-ZCNNSNEGSA-N 2 2 355.482 1.315 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130158273 938719868 /nfs/dbraw/zinc/71/98/68/938719868.db2.gz AYKKGRAMCDDFOY-KURKYZTESA-N 2 2 371.489 1.651 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001130626354 939923979 /nfs/dbraw/zinc/92/39/79/939923979.db2.gz KSZFMFMLKJXSLO-DOTOQJQBSA-N 2 2 364.453 1.842 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001130972921 940383728 /nfs/dbraw/zinc/38/37/28/940383728.db2.gz HEEZNMLPDSSXDF-HZPDHXFCSA-N 2 2 356.474 1.626 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NCC#N ZINC001131130286 940510861 /nfs/dbraw/zinc/51/08/61/940510861.db2.gz FJLVXFVMKQZGQQ-IAGOWNOFSA-N 2 2 358.490 1.094 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103361 941386787 /nfs/dbraw/zinc/38/67/87/941386787.db2.gz QNZPQTVDNQWEHM-SQNIBIBYSA-N 2 2 373.501 1.338 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103361 941386792 /nfs/dbraw/zinc/38/67/92/941386792.db2.gz QNZPQTVDNQWEHM-SQNIBIBYSA-N 2 2 373.501 1.338 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001086999867 953048340 /nfs/dbraw/zinc/04/83/40/953048340.db2.gz ZJHPUOVXLXYIFF-BPQIPLTHSA-N 2 2 356.474 1.728 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC001092051929 954143488 /nfs/dbraw/zinc/14/34/88/954143488.db2.gz VWZNAEDAPREWMF-UTKZUKDTSA-N 2 2 366.440 1.923 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC001092051929 954143490 /nfs/dbraw/zinc/14/34/90/954143490.db2.gz VWZNAEDAPREWMF-UTKZUKDTSA-N 2 2 366.440 1.923 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1ncccc1C#N ZINC001092314217 954807568 /nfs/dbraw/zinc/80/75/68/954807568.db2.gz BCQWJLIZPVPARC-HZPDHXFCSA-N 2 2 367.457 1.045 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001092615306 955823361 /nfs/dbraw/zinc/82/33/61/955823361.db2.gz DHFGNYRYRUTUQT-NCXUSEDFSA-N 2 2 354.498 1.861 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001092615306 955823371 /nfs/dbraw/zinc/82/33/71/955823371.db2.gz DHFGNYRYRUTUQT-NCXUSEDFSA-N 2 2 354.498 1.861 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001092688816 956192635 /nfs/dbraw/zinc/19/26/35/956192635.db2.gz BAZYRNIDGAGCDO-SUMDDJOVSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001092688816 956192646 /nfs/dbraw/zinc/19/26/46/956192646.db2.gz BAZYRNIDGAGCDO-SUMDDJOVSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001092688816 956192654 /nfs/dbraw/zinc/19/26/54/956192654.db2.gz BAZYRNIDGAGCDO-SUMDDJOVSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2coc(C3CC3)n2)C[C@H]1C ZINC001092688816 956192660 /nfs/dbraw/zinc/19/26/60/956192660.db2.gz BAZYRNIDGAGCDO-SUMDDJOVSA-N 2 2 370.497 1.834 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nncs3)C[C@H]2C)CC1 ZINC001093224302 957854626 /nfs/dbraw/zinc/85/46/26/957854626.db2.gz PRBKPABHLYHZPU-GDBMZVCRSA-N 2 2 361.515 1.067 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nncs3)C[C@H]2C)CC1 ZINC001093224302 957854631 /nfs/dbraw/zinc/85/46/31/957854631.db2.gz PRBKPABHLYHZPU-GDBMZVCRSA-N 2 2 361.515 1.067 20 30 FDEDLP C#C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000773557221 963392393 /nfs/dbraw/zinc/39/23/93/963392393.db2.gz FFPYNGMUCMIIHO-MSOLQXFVSA-N 2 2 362.518 1.417 20 30 FDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC12CCOCC2 ZINC001186504110 964531070 /nfs/dbraw/zinc/53/10/70/964531070.db2.gz LUKXKUIBIDJRCE-BRWVUGGUSA-N 2 2 358.486 1.554 20 30 FDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC12CCOCC2 ZINC001186505029 964532713 /nfs/dbraw/zinc/53/27/13/964532713.db2.gz OXSQXFJPGUHOLD-RCCFBDPRSA-N 2 2 370.497 1.392 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350180 966267749 /nfs/dbraw/zinc/26/77/49/966267749.db2.gz ZKVHAMHBYPBWSL-QWQRMKEZSA-N 2 2 367.453 1.400 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350180 966267758 /nfs/dbraw/zinc/26/77/58/966267758.db2.gz ZKVHAMHBYPBWSL-QWQRMKEZSA-N 2 2 367.453 1.400 20 30 FDEDLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001197997283 972672392 /nfs/dbraw/zinc/67/23/92/972672392.db2.gz YDNHJTGRUVBKSM-RTBURBONSA-N 2 2 361.461 1.070 20 30 FDEDLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001197997283 972672399 /nfs/dbraw/zinc/67/23/99/972672399.db2.gz YDNHJTGRUVBKSM-RTBURBONSA-N 2 2 361.461 1.070 20 30 FDEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001197997283 972672405 /nfs/dbraw/zinc/67/24/05/972672405.db2.gz YDNHJTGRUVBKSM-RTBURBONSA-N 2 2 361.461 1.070 20 30 FDEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001197997283 972672417 /nfs/dbraw/zinc/67/24/17/972672417.db2.gz YDNHJTGRUVBKSM-RTBURBONSA-N 2 2 361.461 1.070 20 30 FDEDLP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198777085 973510932 /nfs/dbraw/zinc/51/09/32/973510932.db2.gz WWBVQFPXFDPLEE-HHXXYDBFSA-N 2 2 359.470 1.185 20 30 FDEDLP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198777085 973510944 /nfs/dbraw/zinc/51/09/44/973510944.db2.gz WWBVQFPXFDPLEE-HHXXYDBFSA-N 2 2 359.470 1.185 20 30 FDEDLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199071134 973890398 /nfs/dbraw/zinc/89/03/98/973890398.db2.gz KIAWSGNXHXRKLQ-WOJBJXKFSA-N 2 2 355.482 1.075 20 30 FDEDLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001199071134 973890409 /nfs/dbraw/zinc/89/04/09/973890409.db2.gz KIAWSGNXHXRKLQ-WOJBJXKFSA-N 2 2 355.482 1.075 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]34COC(=O)N3CCOC4)CC2)cc1 ZINC000865771014 974476740 /nfs/dbraw/zinc/47/67/40/974476740.db2.gz RECWESBXTZILQM-FQEVSTJZSA-N 2 2 370.453 1.333 20 30 FDEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884236343 983014584 /nfs/dbraw/zinc/01/45/84/983014584.db2.gz SCFLJUFVSSRMLE-SNXQWQLTSA-N 2 2 353.470 1.426 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362705438 988709890 /nfs/dbraw/zinc/70/98/90/988709890.db2.gz LTPIDGUWBFFQAZ-NVXWUHKLSA-N 2 2 356.470 1.610 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362705438 988709892 /nfs/dbraw/zinc/70/98/92/988709892.db2.gz LTPIDGUWBFFQAZ-NVXWUHKLSA-N 2 2 356.470 1.610 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366726853 988757793 /nfs/dbraw/zinc/75/77/93/988757793.db2.gz ZGGLJSKEDMZFTP-APWZRJJASA-N 2 2 364.534 1.825 20 30 FDEDLP CN(C(=O)c1ccccc1OCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370817516 990011002 /nfs/dbraw/zinc/01/10/02/990011002.db2.gz COEVRTQZECPRAE-QGZVFWFLSA-N 2 2 356.470 1.829 20 30 FDEDLP CN(C(=O)c1ccccc1OCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370817516 990011009 /nfs/dbraw/zinc/01/10/09/990011009.db2.gz COEVRTQZECPRAE-QGZVFWFLSA-N 2 2 356.470 1.829 20 30 FDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000876889405 992950212 /nfs/dbraw/zinc/95/02/12/992950212.db2.gz MENSVRROQZRGDA-KRWDZBQOSA-N 2 2 367.877 1.688 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000876889406 992950403 /nfs/dbraw/zinc/95/04/03/992950403.db2.gz MENSVRROQZRGDA-QGZVFWFLSA-N 2 2 367.877 1.688 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000877248294 993144854 /nfs/dbraw/zinc/14/48/54/993144854.db2.gz JQDHKEHAMCKMKK-DLBZAZTESA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000877248294 993144864 /nfs/dbraw/zinc/14/48/64/993144864.db2.gz JQDHKEHAMCKMKK-DLBZAZTESA-N 2 2 351.878 1.782 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccnc1C ZINC001095556441 993444475 /nfs/dbraw/zinc/44/44/75/993444475.db2.gz RQXQLDHKNCXKII-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccnc1C ZINC001095556441 993444482 /nfs/dbraw/zinc/44/44/82/993444482.db2.gz RQXQLDHKNCXKII-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccnc1C ZINC001095556441 993444494 /nfs/dbraw/zinc/44/44/94/993444494.db2.gz RQXQLDHKNCXKII-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccnc1C ZINC001095556441 993444507 /nfs/dbraw/zinc/44/45/07/993444507.db2.gz RQXQLDHKNCXKII-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C=CC[C@@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000878089397 993698588 /nfs/dbraw/zinc/69/85/88/993698588.db2.gz FVYXXBHMCVGZSD-KRWDZBQOSA-N 2 2 351.491 1.370 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000264397840 997494914 /nfs/dbraw/zinc/49/49/14/997494914.db2.gz LOABVXDNCKRABQ-OALUTQOASA-N 2 2 365.566 1.620 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111081427 1005810004 /nfs/dbraw/zinc/81/00/04/1005810004.db2.gz UXESKDXAPFKYBB-VQHPVUNQSA-N 2 2 373.501 1.419 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111081427 1005810005 /nfs/dbraw/zinc/81/00/05/1005810005.db2.gz UXESKDXAPFKYBB-VQHPVUNQSA-N 2 2 373.501 1.419 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[N@@H+]1C ZINC000959963801 1009215392 /nfs/dbraw/zinc/21/53/92/1009215392.db2.gz FJNZQCNOEAVKOS-CENDIDJXSA-N 2 2 370.472 1.974 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[N@H+]1C ZINC000959963801 1009215406 /nfs/dbraw/zinc/21/54/06/1009215406.db2.gz FJNZQCNOEAVKOS-CENDIDJXSA-N 2 2 370.472 1.974 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[NH+]1C ZINC000959963801 1009215413 /nfs/dbraw/zinc/21/54/13/1009215413.db2.gz FJNZQCNOEAVKOS-CENDIDJXSA-N 2 2 370.472 1.974 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[NH+]1C ZINC000959963801 1009215422 /nfs/dbraw/zinc/21/54/22/1009215422.db2.gz FJNZQCNOEAVKOS-CENDIDJXSA-N 2 2 370.472 1.974 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@@H+](CCCO)C3)CC2)cc1 ZINC000295187111 184043153 /nfs/dbraw/zinc/04/31/53/184043153.db2.gz WTIKTZXJCDRGCM-OAQYLSRUSA-N 2 2 356.514 1.959 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@H+](CCCO)C3)CC2)cc1 ZINC000295187111 184043155 /nfs/dbraw/zinc/04/31/55/184043155.db2.gz WTIKTZXJCDRGCM-OAQYLSRUSA-N 2 2 356.514 1.959 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548005153 542516724 /nfs/dbraw/zinc/51/67/24/542516724.db2.gz OAORCLFIHDXGMA-GOSISDBHSA-N 2 2 366.469 1.843 20 30 FDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000077312188 172124697 /nfs/dbraw/zinc/12/46/97/172124697.db2.gz BYXVEEFOUATXCO-SFHVURJKSA-N 2 2 359.470 1.990 20 30 FDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000077312188 172124701 /nfs/dbraw/zinc/12/47/01/172124701.db2.gz BYXVEEFOUATXCO-SFHVURJKSA-N 2 2 359.470 1.990 20 30 FDEDLP N#Cc1cccc(OCCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131398903 173200936 /nfs/dbraw/zinc/20/09/36/173200936.db2.gz RTKDECPRRXZNEI-IBGZPJMESA-N 2 2 356.470 1.741 20 30 FDEDLP N#Cc1cccc(OCCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131398903 173200937 /nfs/dbraw/zinc/20/09/37/173200937.db2.gz RTKDECPRRXZNEI-IBGZPJMESA-N 2 2 356.470 1.741 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329123270 259079016 /nfs/dbraw/zinc/07/90/16/259079016.db2.gz XCSNGUIEIKSXCP-IRXDYDNUSA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329123270 259079017 /nfs/dbraw/zinc/07/90/17/259079017.db2.gz XCSNGUIEIKSXCP-IRXDYDNUSA-N 2 2 370.497 1.952 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332086094 259240392 /nfs/dbraw/zinc/24/03/92/259240392.db2.gz QZLSDMUSPXFONL-SJORKVTESA-N 2 2 369.513 1.986 20 30 FDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332086094 259240393 /nfs/dbraw/zinc/24/03/93/259240393.db2.gz QZLSDMUSPXFONL-SJORKVTESA-N 2 2 369.513 1.986 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000369268781 260327641 /nfs/dbraw/zinc/32/76/41/260327641.db2.gz UQZHMJCPFDJGJU-INIZCTEOSA-N 2 2 358.511 1.935 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000369268781 260327644 /nfs/dbraw/zinc/32/76/44/260327644.db2.gz UQZHMJCPFDJGJU-INIZCTEOSA-N 2 2 358.511 1.935 20 30 FDEDLP Cn1cc(C#N)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000610562695 492251927 /nfs/dbraw/zinc/25/19/27/492251927.db2.gz CBVHDTXGNDEGLS-UHFFFAOYSA-N 2 2 359.478 1.364 20 30 FDEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857219 521962976 /nfs/dbraw/zinc/96/29/76/521962976.db2.gz VTMDNKZMMHUBNJ-GOSISDBHSA-N 2 2 356.470 1.931 20 30 FDEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857219 521962987 /nfs/dbraw/zinc/96/29/87/521962987.db2.gz VTMDNKZMMHUBNJ-GOSISDBHSA-N 2 2 356.470 1.931 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000076227080 523048703 /nfs/dbraw/zinc/04/87/03/523048703.db2.gz SJMDOOFJUGTJGQ-UHFFFAOYSA-N 2 2 355.482 1.685 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000053560326 523466569 /nfs/dbraw/zinc/46/65/69/523466569.db2.gz WLRSVAXWLSRJLF-UHFFFAOYSA-N 2 2 355.486 1.871 20 30 FDEDLP N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000083170534 524242063 /nfs/dbraw/zinc/24/20/63/524242063.db2.gz WXJLBDUCTANCDM-QGZVFWFLSA-N 2 2 374.510 1.769 20 30 FDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)o1 ZINC000174384296 524560976 /nfs/dbraw/zinc/56/09/76/524560976.db2.gz HSLMUDDVQGWWCU-HNNXBMFYSA-N 2 2 368.441 1.536 20 30 FDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091587620 524734533 /nfs/dbraw/zinc/73/45/33/524734533.db2.gz OJEXDYQUXOUTNR-OALUTQOASA-N 2 2 363.550 1.342 20 30 FDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091587620 524734541 /nfs/dbraw/zinc/73/45/41/524734541.db2.gz OJEXDYQUXOUTNR-OALUTQOASA-N 2 2 363.550 1.342 20 30 FDEDLP N#Cc1csc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000177693235 525331802 /nfs/dbraw/zinc/33/18/02/525331802.db2.gz VKIJZCBMXQJNQY-UHFFFAOYSA-N 2 2 355.467 1.843 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000153849952 525344343 /nfs/dbraw/zinc/34/43/43/525344343.db2.gz DADZLSFTQVUKDK-QUCCMNQESA-N 2 2 369.513 1.421 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188310710 536289922 /nfs/dbraw/zinc/28/99/22/536289922.db2.gz RIODXQAPGBSSRW-NHCUHLMSSA-N 2 2 372.513 1.610 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188310710 536289923 /nfs/dbraw/zinc/28/99/23/536289923.db2.gz RIODXQAPGBSSRW-NHCUHLMSSA-N 2 2 372.513 1.610 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188310710 536289924 /nfs/dbraw/zinc/28/99/24/536289924.db2.gz RIODXQAPGBSSRW-NHCUHLMSSA-N 2 2 372.513 1.610 20 30 FDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188310710 536289925 /nfs/dbraw/zinc/28/99/25/536289925.db2.gz RIODXQAPGBSSRW-NHCUHLMSSA-N 2 2 372.513 1.610 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C)C(C)C ZINC000283904294 537392625 /nfs/dbraw/zinc/39/26/25/537392625.db2.gz FYKJATVREHGIHS-INIZCTEOSA-N 2 2 361.490 1.193 20 30 FDEDLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329955849 537647981 /nfs/dbraw/zinc/64/79/81/537647981.db2.gz KYYWBUBZVHFYGL-IAGOWNOFSA-N 2 2 362.522 1.887 20 30 FDEDLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329955849 537647984 /nfs/dbraw/zinc/64/79/84/537647984.db2.gz KYYWBUBZVHFYGL-IAGOWNOFSA-N 2 2 362.522 1.887 20 30 FDEDLP C[C@H](C#N)S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000416446631 537842572 /nfs/dbraw/zinc/84/25/72/537842572.db2.gz QCCLSNHDSOUMSI-DJIMGWMZSA-N 2 2 356.536 1.497 20 30 FDEDLP C[C@H](C#N)S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000416446631 537842575 /nfs/dbraw/zinc/84/25/75/537842575.db2.gz QCCLSNHDSOUMSI-DJIMGWMZSA-N 2 2 356.536 1.497 20 30 FDEDLP C=CCN1CC[C@H]([N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000369187619 538002817 /nfs/dbraw/zinc/00/28/17/538002817.db2.gz IVTRSXHEDFENFS-FQEVSTJZSA-N 3 2 362.562 1.901 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000369187619 538002824 /nfs/dbraw/zinc/00/28/24/538002824.db2.gz IVTRSXHEDFENFS-FQEVSTJZSA-N 3 2 362.562 1.901 20 30 FDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000565352448 547316779 /nfs/dbraw/zinc/31/67/79/547316779.db2.gz ZZDBDGKMEOWPSL-UHFFFAOYSA-N 2 2 357.458 1.412 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4nnnn4CC3)CC2)cc1 ZINC000574868363 550383847 /nfs/dbraw/zinc/38/38/47/550383847.db2.gz YOBHIOOPKJRUJI-KRWDZBQOSA-N 2 2 351.458 1.504 20 30 FDEDLP Cc1cccn2cc(Cn3cc(C[NH+]4CCOCC4)cc(C#N)c3=O)[nH+]c12 ZINC000579854229 550917718 /nfs/dbraw/zinc/91/77/18/550917718.db2.gz QSLWHULMFDTARJ-UHFFFAOYSA-N 2 2 363.421 1.557 20 30 FDEDLP CN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000586779730 551618707 /nfs/dbraw/zinc/61/87/07/551618707.db2.gz LUXMNPSIOFTHSK-QGZVFWFLSA-N 2 2 358.461 1.867 20 30 FDEDLP CN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000586779730 551618709 /nfs/dbraw/zinc/61/87/09/551618709.db2.gz LUXMNPSIOFTHSK-QGZVFWFLSA-N 2 2 358.461 1.867 20 30 FDEDLP N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000594440935 552310870 /nfs/dbraw/zinc/31/08/70/552310870.db2.gz JNFQNMAFTBZOEE-SFHVURJKSA-N 2 2 371.485 1.617 20 30 FDEDLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000601145236 553352527 /nfs/dbraw/zinc/35/25/27/553352527.db2.gz JPGDIYFELUURPV-GJZGRUSLSA-N 2 2 372.469 1.178 20 30 FDEDLP N#CC1CCC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000602538081 553601803 /nfs/dbraw/zinc/60/18/03/553601803.db2.gz USIIGBRJGLKYGG-ABHNRTSZSA-N 2 2 370.501 1.954 20 30 FDEDLP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000602544440 553603129 /nfs/dbraw/zinc/60/31/29/553603129.db2.gz BBYRZUFHFJZSEX-INIZCTEOSA-N 2 2 364.515 1.652 20 30 FDEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602850146 553650749 /nfs/dbraw/zinc/65/07/49/553650749.db2.gz PEPCFPXWNQLKEG-FGTMMUONSA-N 2 2 370.501 1.037 20 30 FDEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602850146 553650750 /nfs/dbraw/zinc/65/07/50/553650750.db2.gz PEPCFPXWNQLKEG-FGTMMUONSA-N 2 2 370.501 1.037 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000623635061 556459831 /nfs/dbraw/zinc/45/98/31/556459831.db2.gz RSGPQCVKMIMUSM-LJQANCHMSA-N 2 2 373.501 1.232 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000623635061 556459832 /nfs/dbraw/zinc/45/98/32/556459832.db2.gz RSGPQCVKMIMUSM-LJQANCHMSA-N 2 2 373.501 1.232 20 30 FDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)CC[N@@H+]1C ZINC000330331837 568249398 /nfs/dbraw/zinc/24/93/98/568249398.db2.gz OJYOVOIUWWTZSQ-OAGGEKHMSA-N 2 2 361.490 1.997 20 30 FDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)CC[N@H+]1C ZINC000330331837 568249399 /nfs/dbraw/zinc/24/93/99/568249399.db2.gz OJYOVOIUWWTZSQ-OAGGEKHMSA-N 2 2 361.490 1.997 20 30 FDEDLP C=CCS(=O)(=O)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000272886374 674484753 /nfs/dbraw/zinc/48/47/53/674484753.db2.gz WUJBAASIUOHUBI-UHFFFAOYSA-N 2 2 371.934 1.782 20 30 FDEDLP COc1ccc([C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)[NH+](C)C)cc1OC ZINC000195522061 672408272 /nfs/dbraw/zinc/40/82/72/672408272.db2.gz SSBAWFHRLPQBPZ-HUUCEWRRSA-N 2 2 350.463 1.390 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCS(=O)(=O)Cc1ccccc1 ZINC000264082383 672900778 /nfs/dbraw/zinc/90/07/78/672900778.db2.gz HXEUODLNNJHKBT-KRWDZBQOSA-N 2 2 366.531 1.380 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCS(=O)(=O)Cc1ccccc1 ZINC000264082383 672900780 /nfs/dbraw/zinc/90/07/80/672900780.db2.gz HXEUODLNNJHKBT-KRWDZBQOSA-N 2 2 366.531 1.380 20 30 FDEDLP C[NH+](C)Cc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1F ZINC000267466650 673307157 /nfs/dbraw/zinc/30/71/57/673307157.db2.gz WMIQCLDPIGLEAN-UHFFFAOYSA-N 3 2 351.470 1.014 20 30 FDEDLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCC[C@H]1O ZINC000330279204 676682859 /nfs/dbraw/zinc/68/28/59/676682859.db2.gz QQNLAXNIPAQHNX-QZTJIDSGSA-N 2 2 352.523 1.694 20 30 FDEDLP CC1(C)CC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC(C)(C)[NH2+]1 ZINC000515090019 689814433 /nfs/dbraw/zinc/81/44/33/689814433.db2.gz KUDUIJXPUHFVGT-UHFFFAOYSA-N 2 2 350.488 1.626 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)on2)C1 ZINC001104306048 774438544 /nfs/dbraw/zinc/43/85/44/774438544.db2.gz IFVYJEKQWQDGHK-SUMDDJOVSA-N 2 2 358.486 1.655 20 30 FDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000328809320 777844145 /nfs/dbraw/zinc/84/41/45/777844145.db2.gz DXTJAEPLMHQDEO-UHFFFAOYSA-N 2 2 361.490 1.678 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)C1 ZINC000891607415 778505824 /nfs/dbraw/zinc/50/58/24/778505824.db2.gz MSUNNNZNAPUBNK-LJQANCHMSA-N 2 2 370.497 1.681 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)C1 ZINC000891607415 778505827 /nfs/dbraw/zinc/50/58/27/778505827.db2.gz MSUNNNZNAPUBNK-LJQANCHMSA-N 2 2 370.497 1.681 20 30 FDEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001105042296 795028105 /nfs/dbraw/zinc/02/81/05/795028105.db2.gz VLFRDKZNJDCJAF-OLMNPRSZSA-N 2 2 369.937 1.924 20 30 FDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000728929896 809764814 /nfs/dbraw/zinc/76/48/14/809764814.db2.gz CGCPMIUIFAQKHR-UHFFFAOYSA-N 2 2 358.486 1.813 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001087444007 809807112 /nfs/dbraw/zinc/80/71/12/809807112.db2.gz RLTKDVIYHDCZMZ-AQNXPRMDSA-N 2 2 357.498 1.867 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001087444007 809807117 /nfs/dbraw/zinc/80/71/17/809807117.db2.gz RLTKDVIYHDCZMZ-AQNXPRMDSA-N 2 2 357.498 1.867 20 30 FDEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001087444007 809807122 /nfs/dbraw/zinc/80/71/22/809807122.db2.gz RLTKDVIYHDCZMZ-AQNXPRMDSA-N 2 2 357.498 1.867 20 30 FDEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001087444007 809807128 /nfs/dbraw/zinc/80/71/28/809807128.db2.gz RLTKDVIYHDCZMZ-AQNXPRMDSA-N 2 2 357.498 1.867 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261663514 811293727 /nfs/dbraw/zinc/29/37/27/811293727.db2.gz BALWQFMZRXGCOY-HOCLYGCPSA-N 2 2 358.494 1.341 20 30 FDEDLP C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261959672 811353879 /nfs/dbraw/zinc/35/38/79/811353879.db2.gz JTDUNXHQHJCGCF-HYVNUMGLSA-N 2 2 370.505 1.504 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262004585 811365308 /nfs/dbraw/zinc/36/53/08/811365308.db2.gz VGWRFSJVQDFTRC-KDOFPFPSSA-N 3 2 367.501 1.723 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262004585 811365318 /nfs/dbraw/zinc/36/53/18/811365318.db2.gz VGWRFSJVQDFTRC-KDOFPFPSSA-N 3 2 367.501 1.723 20 30 FDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000328783383 819556060 /nfs/dbraw/zinc/55/60/60/819556060.db2.gz NMFIMRYMGZTCFK-HZPDHXFCSA-N 2 2 361.490 1.624 20 30 FDEDLP CN(C)c1cnc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000329118621 824602303 /nfs/dbraw/zinc/60/23/03/824602303.db2.gz VAOGKGNQLNBILI-UHFFFAOYSA-N 2 2 360.506 1.798 20 30 FDEDLP COC[C@@H]1C[C@@H](OC)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329140297 824624546 /nfs/dbraw/zinc/62/45/46/824624546.db2.gz SWVWPIRBULUBPM-ZWKOTPCHSA-N 2 2 368.522 1.195 20 30 FDEDLP CCC(=O)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000330033270 825606408 /nfs/dbraw/zinc/60/64/08/825606408.db2.gz VKAQBQVIOCDXHQ-MRXNPFEDSA-N 2 2 365.522 1.060 20 30 FDEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528385586 829376856 /nfs/dbraw/zinc/37/68/56/829376856.db2.gz CSDPTBGUSQOOJP-KRWDZBQOSA-N 2 2 351.450 1.704 20 30 FDEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528385586 829376869 /nfs/dbraw/zinc/37/68/69/829376869.db2.gz CSDPTBGUSQOOJP-KRWDZBQOSA-N 2 2 351.450 1.704 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H]1C ZINC001088631670 838605867 /nfs/dbraw/zinc/60/58/67/838605867.db2.gz ZKPVXQUGCWCGQT-BTHPGYMESA-N 2 2 355.482 1.397 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H]1C ZINC001088631670 838605870 /nfs/dbraw/zinc/60/58/70/838605870.db2.gz ZKPVXQUGCWCGQT-BTHPGYMESA-N 2 2 355.482 1.397 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)[C@@H]1C ZINC001088631670 838605872 /nfs/dbraw/zinc/60/58/72/838605872.db2.gz ZKPVXQUGCWCGQT-BTHPGYMESA-N 2 2 355.482 1.397 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)[C@@H]1C ZINC001088631670 838605874 /nfs/dbraw/zinc/60/58/74/838605874.db2.gz ZKPVXQUGCWCGQT-BTHPGYMESA-N 2 2 355.482 1.397 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001083668267 861231446 /nfs/dbraw/zinc/23/14/46/861231446.db2.gz JWWIMSLRVDKLOI-HSALFYBXSA-N 2 2 368.481 1.094 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001083668267 861231458 /nfs/dbraw/zinc/23/14/58/861231458.db2.gz JWWIMSLRVDKLOI-HSALFYBXSA-N 2 2 368.481 1.094 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105637240 842270909 /nfs/dbraw/zinc/27/09/09/842270909.db2.gz LWEAXSPLDDNMIH-JYBIWHBTSA-N 2 2 358.486 1.332 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105637240 842270917 /nfs/dbraw/zinc/27/09/17/842270917.db2.gz LWEAXSPLDDNMIH-JYBIWHBTSA-N 2 2 358.486 1.332 20 30 FDEDLP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260529 842849095 /nfs/dbraw/zinc/84/90/95/842849095.db2.gz GCNXSOWPWXDZOZ-NUJGCVRESA-N 2 2 355.910 1.773 20 30 FDEDLP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260529 842849104 /nfs/dbraw/zinc/84/91/04/842849104.db2.gz GCNXSOWPWXDZOZ-NUJGCVRESA-N 2 2 355.910 1.773 20 30 FDEDLP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260529 842849108 /nfs/dbraw/zinc/84/91/08/842849108.db2.gz GCNXSOWPWXDZOZ-NUJGCVRESA-N 2 2 355.910 1.773 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076046788 847150367 /nfs/dbraw/zinc/15/03/67/847150367.db2.gz LUMFDLYQUFTHIP-AZUAARDMSA-N 2 2 366.440 1.915 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076046788 847150373 /nfs/dbraw/zinc/15/03/73/847150373.db2.gz LUMFDLYQUFTHIP-AZUAARDMSA-N 2 2 366.440 1.915 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001076463157 848215072 /nfs/dbraw/zinc/21/50/72/848215072.db2.gz FNWOQKYELICLTJ-QFBILLFUSA-N 2 2 367.428 1.706 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001076463157 848215077 /nfs/dbraw/zinc/21/50/77/848215077.db2.gz FNWOQKYELICLTJ-QFBILLFUSA-N 2 2 367.428 1.706 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C)n(C)n4)C[C@H]32)CC1 ZINC001076604604 848553851 /nfs/dbraw/zinc/55/38/51/848553851.db2.gz NSXNBWNYBWNHSU-AZUAARDMSA-N 2 2 369.513 1.106 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C)n(C)n4)C[C@H]32)CC1 ZINC001076604604 848553860 /nfs/dbraw/zinc/55/38/60/848553860.db2.gz NSXNBWNYBWNHSU-AZUAARDMSA-N 2 2 369.513 1.106 20 30 FDEDLP COCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000488501946 858129827 /nfs/dbraw/zinc/12/98/27/858129827.db2.gz HJZMTNYZMFSTMX-IBGZPJMESA-N 2 2 356.470 1.360 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001089041177 866240843 /nfs/dbraw/zinc/24/08/43/866240843.db2.gz HCCPTVIPWUEZBL-ACJLOTCBSA-N 2 2 355.417 1.982 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001089041177 866240860 /nfs/dbraw/zinc/24/08/60/866240860.db2.gz HCCPTVIPWUEZBL-ACJLOTCBSA-N 2 2 355.417 1.982 20 30 FDEDLP Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000272101635 870304986 /nfs/dbraw/zinc/30/49/86/870304986.db2.gz HANKECQUHCCSKB-GOSISDBHSA-N 2 2 366.469 1.388 20 30 FDEDLP Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000272101635 870304994 /nfs/dbraw/zinc/30/49/94/870304994.db2.gz HANKECQUHCCSKB-GOSISDBHSA-N 2 2 366.469 1.388 20 30 FDEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212487044 872145289 /nfs/dbraw/zinc/14/52/89/872145289.db2.gz PFKDPIDBPJBHHP-RTBURBONSA-N 2 2 357.498 1.584 20 30 FDEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212487044 872145298 /nfs/dbraw/zinc/14/52/98/872145298.db2.gz PFKDPIDBPJBHHP-RTBURBONSA-N 2 2 357.498 1.584 20 30 FDEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212487044 872145305 /nfs/dbraw/zinc/14/53/05/872145305.db2.gz PFKDPIDBPJBHHP-RTBURBONSA-N 2 2 357.498 1.584 20 30 FDEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212487044 872145313 /nfs/dbraw/zinc/14/53/13/872145313.db2.gz PFKDPIDBPJBHHP-RTBURBONSA-N 2 2 357.498 1.584 20 30 FDEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033903984 883428493 /nfs/dbraw/zinc/42/84/93/883428493.db2.gz NGOWVDDNKFNPHU-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033903984 883428500 /nfs/dbraw/zinc/42/85/00/883428500.db2.gz NGOWVDDNKFNPHU-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084231751 913778242 /nfs/dbraw/zinc/77/82/42/913778242.db2.gz KLHYNLZZDCVDDR-ATZDWAIDSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084231751 913778248 /nfs/dbraw/zinc/77/82/48/913778248.db2.gz KLHYNLZZDCVDDR-ATZDWAIDSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084231751 913778266 /nfs/dbraw/zinc/77/82/66/913778266.db2.gz KLHYNLZZDCVDDR-ATZDWAIDSA-N 2 2 356.445 1.824 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3ccccc3)C[C@H]21 ZINC001084418103 914381638 /nfs/dbraw/zinc/38/16/38/914381638.db2.gz VLOUAHZRPFFODG-QHAWAJNXSA-N 2 2 351.494 1.859 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCc3ccccc3)C[C@H]21 ZINC001084418103 914381654 /nfs/dbraw/zinc/38/16/54/914381654.db2.gz VLOUAHZRPFFODG-QHAWAJNXSA-N 2 2 351.494 1.859 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccccc3)C[C@H]21 ZINC001084418103 914381668 /nfs/dbraw/zinc/38/16/68/914381668.db2.gz VLOUAHZRPFFODG-QHAWAJNXSA-N 2 2 351.494 1.859 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001084418103 914381685 /nfs/dbraw/zinc/38/16/85/914381685.db2.gz VLOUAHZRPFFODG-QHAWAJNXSA-N 2 2 351.494 1.859 20 30 FDEDLP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079138230 902021023 /nfs/dbraw/zinc/02/10/23/902021023.db2.gz URVFDMSGUWMLHR-VAMGGRTRSA-N 2 2 357.498 1.731 20 30 FDEDLP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001079138230 902021026 /nfs/dbraw/zinc/02/10/26/902021026.db2.gz URVFDMSGUWMLHR-VAMGGRTRSA-N 2 2 357.498 1.731 20 30 FDEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079138230 902021036 /nfs/dbraw/zinc/02/10/36/902021036.db2.gz URVFDMSGUWMLHR-VAMGGRTRSA-N 2 2 357.498 1.731 20 30 FDEDLP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079138230 902021046 /nfs/dbraw/zinc/02/10/46/902021046.db2.gz URVFDMSGUWMLHR-VAMGGRTRSA-N 2 2 357.498 1.731 20 30 FDEDLP C#CCC[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079239408 902185711 /nfs/dbraw/zinc/18/57/11/902185711.db2.gz RMWNHVBOYADLPW-DLBZAZTESA-N 2 2 356.470 1.305 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561451 905637778 /nfs/dbraw/zinc/63/77/78/905637778.db2.gz KHDBACFFCYYSOO-QWFCFKBJSA-N 2 2 358.486 1.845 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561451 905637784 /nfs/dbraw/zinc/63/77/84/905637784.db2.gz KHDBACFFCYYSOO-QWFCFKBJSA-N 2 2 358.486 1.845 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202233 906240994 /nfs/dbraw/zinc/24/09/94/906240994.db2.gz NHBVIYFKFGVQBP-WOJBJXKFSA-N 2 2 370.497 1.606 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202233 906241009 /nfs/dbraw/zinc/24/10/09/906241009.db2.gz NHBVIYFKFGVQBP-WOJBJXKFSA-N 2 2 370.497 1.606 20 30 FDEDLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000265611294 908869867 /nfs/dbraw/zinc/86/98/67/908869867.db2.gz NUCJJKBYVPXEQO-LJQANCHMSA-N 2 2 371.485 1.106 20 30 FDEDLP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000265611294 908869885 /nfs/dbraw/zinc/86/98/85/908869885.db2.gz NUCJJKBYVPXEQO-LJQANCHMSA-N 2 2 371.485 1.106 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000730104959 916136534 /nfs/dbraw/zinc/13/65/34/916136534.db2.gz XDBPJSHWMVOKSH-LEWJYISDSA-N 2 2 368.525 1.579 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000730104959 916136541 /nfs/dbraw/zinc/13/65/41/916136541.db2.gz XDBPJSHWMVOKSH-LEWJYISDSA-N 2 2 368.525 1.579 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000730104959 916136547 /nfs/dbraw/zinc/13/65/47/916136547.db2.gz XDBPJSHWMVOKSH-LEWJYISDSA-N 2 2 368.525 1.579 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000730104959 916136552 /nfs/dbraw/zinc/13/65/52/916136552.db2.gz XDBPJSHWMVOKSH-LEWJYISDSA-N 2 2 368.525 1.579 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000732057950 918972967 /nfs/dbraw/zinc/97/29/67/918972967.db2.gz NFWUJWUIGZYFEG-IBGZPJMESA-N 2 2 370.497 1.794 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000732057950 918972972 /nfs/dbraw/zinc/97/29/72/918972972.db2.gz NFWUJWUIGZYFEG-IBGZPJMESA-N 2 2 370.497 1.794 20 30 FDEDLP CN(C(=O)COc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559802 919794893 /nfs/dbraw/zinc/79/48/93/919794893.db2.gz RLWDOTAMJADTIB-SFHVURJKSA-N 2 2 356.470 1.564 20 30 FDEDLP CN(C(=O)COc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559802 919794908 /nfs/dbraw/zinc/79/49/08/919794908.db2.gz RLWDOTAMJADTIB-SFHVURJKSA-N 2 2 356.470 1.564 20 30 FDEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001085406257 924483551 /nfs/dbraw/zinc/48/35/51/924483551.db2.gz XAGXMAHZMRUMSF-BZUAXINKSA-N 2 2 359.474 1.065 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC001085605680 924957293 /nfs/dbraw/zinc/95/72/93/924957293.db2.gz QCUOOSDDMRFESW-ATZDWAIDSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC001085605680 924957295 /nfs/dbraw/zinc/95/72/95/924957295.db2.gz QCUOOSDDMRFESW-ATZDWAIDSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C#N ZINC001085605680 924957300 /nfs/dbraw/zinc/95/73/00/924957300.db2.gz QCUOOSDDMRFESW-ATZDWAIDSA-N 2 2 370.497 1.940 20 30 FDEDLP COc1ccc(C[NH+]2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C#N ZINC001085605680 924957305 /nfs/dbraw/zinc/95/73/05/924957305.db2.gz QCUOOSDDMRFESW-ATZDWAIDSA-N 2 2 370.497 1.940 20 30 FDEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086202291 926287080 /nfs/dbraw/zinc/28/70/80/926287080.db2.gz RFNFQASLVPPQIH-XJFOESAGSA-N 2 2 367.291 1.917 20 30 FDEDLP CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072749 928262887 /nfs/dbraw/zinc/26/28/87/928262887.db2.gz WHCPMJCUNNINRC-OCCSQVGLSA-N 2 2 357.414 1.078 20 30 FDEDLP C#CCC[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000787283882 932242698 /nfs/dbraw/zinc/24/26/98/932242698.db2.gz QMWSNGHXPXCKEK-UHFFFAOYSA-N 2 2 359.380 1.986 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129403557 938416639 /nfs/dbraw/zinc/41/66/39/938416639.db2.gz CQIDNWBGODGGPJ-XKQJLSEDSA-N 2 2 357.462 1.249 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129403557 938416641 /nfs/dbraw/zinc/41/66/41/938416641.db2.gz CQIDNWBGODGGPJ-XKQJLSEDSA-N 2 2 357.462 1.249 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129916904 938553816 /nfs/dbraw/zinc/55/38/16/938553816.db2.gz HGDTUYCQPNGDSQ-ZACQAIPSSA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cn(C)cn1 ZINC001130619284 939930167 /nfs/dbraw/zinc/93/01/67/939930167.db2.gz KBISUINHBRDZBB-SOLBZPMBSA-N 2 2 368.485 1.339 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719328 940022543 /nfs/dbraw/zinc/02/25/43/940022543.db2.gz JUZRWHYRNVTKDG-MAUKXSAKSA-N 2 2 356.474 1.545 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001131610140 940789467 /nfs/dbraw/zinc/78/94/67/940789467.db2.gz BAQZYCSQDMJLAX-QUCCMNQESA-N 2 2 358.486 1.672 20 30 FDEDLP C#C[C@@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)[C@H]1CCCO1 ZINC000817779577 942946391 /nfs/dbraw/zinc/94/63/91/942946391.db2.gz CCSVEFNYALCKEQ-RTBURBONSA-N 2 2 362.518 1.369 20 30 FDEDLP C#C[C@@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)[C@H]1CCCO1 ZINC000817779577 942946397 /nfs/dbraw/zinc/94/63/97/942946397.db2.gz CCSVEFNYALCKEQ-RTBURBONSA-N 2 2 362.518 1.369 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@]2(C)C1 ZINC001091678377 952609039 /nfs/dbraw/zinc/60/90/39/952609039.db2.gz CXZXAHOSUIOCDX-YXTQBTIXSA-N 2 2 366.509 1.958 20 30 FDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@]2(C)C1 ZINC001091678377 952609040 /nfs/dbraw/zinc/60/90/40/952609040.db2.gz CXZXAHOSUIOCDX-YXTQBTIXSA-N 2 2 366.509 1.958 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@@]2(C)C1 ZINC001091748178 952793165 /nfs/dbraw/zinc/79/31/65/952793165.db2.gz DHYSADJTJNXKFJ-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)on3)C[C@@]2(C)C1 ZINC001091748178 952793168 /nfs/dbraw/zinc/79/31/68/952793168.db2.gz DHYSADJTJNXKFJ-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cc(C)on3)C[C@@]2(C)C1 ZINC001091748178 952793171 /nfs/dbraw/zinc/79/31/71/952793171.db2.gz DHYSADJTJNXKFJ-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cc(C)on3)C[C@@]2(C)C1 ZINC001091748178 952793174 /nfs/dbraw/zinc/79/31/74/952793174.db2.gz DHYSADJTJNXKFJ-KPFFTGBYSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@@]2(C)C1 ZINC001091748454 952793680 /nfs/dbraw/zinc/79/36/80/952793680.db2.gz MGPUYUPXOUTJRI-UWVAXJGDSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@@]2(C)C1 ZINC001091748454 952793683 /nfs/dbraw/zinc/79/36/83/952793683.db2.gz MGPUYUPXOUTJRI-UWVAXJGDSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncc(C)o3)C[C@@]2(C)C1 ZINC001091748454 952793688 /nfs/dbraw/zinc/79/36/88/952793688.db2.gz MGPUYUPXOUTJRI-UWVAXJGDSA-N 2 2 356.470 1.361 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncc(C)o3)C[C@@]2(C)C1 ZINC001091748454 952793691 /nfs/dbraw/zinc/79/36/91/952793691.db2.gz MGPUYUPXOUTJRI-UWVAXJGDSA-N 2 2 356.470 1.361 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001086976826 952987355 /nfs/dbraw/zinc/98/73/55/952987355.db2.gz NRRLXKXTDUWNDS-LSDHHAIUSA-N 2 2 362.865 1.413 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cnn(C)c1 ZINC001086995921 953035572 /nfs/dbraw/zinc/03/55/72/953035572.db2.gz DCCBPEKYAACZGT-XYJFISCASA-N 2 2 368.485 1.723 20 30 FDEDLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)C ZINC001197025981 972066401 /nfs/dbraw/zinc/06/64/01/972066401.db2.gz VRMRQBDIUOHMON-NJYVYQBISA-N 2 2 371.525 1.566 20 30 FDEDLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)C ZINC001197025981 972066408 /nfs/dbraw/zinc/06/64/08/972066408.db2.gz VRMRQBDIUOHMON-NJYVYQBISA-N 2 2 371.525 1.566 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001093471759 958235448 /nfs/dbraw/zinc/23/54/48/958235448.db2.gz GNYDYHQZBPCOCW-RNKNFESXSA-N 2 2 360.502 1.839 20 30 FDEDLP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001197744224 972409042 /nfs/dbraw/zinc/40/90/42/972409042.db2.gz UBASIAVMEWYAPT-QRVBRYPASA-N 2 2 361.486 1.043 20 30 FDEDLP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001197744224 972409051 /nfs/dbraw/zinc/40/90/51/972409051.db2.gz UBASIAVMEWYAPT-QRVBRYPASA-N 2 2 361.486 1.043 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001197744224 972409062 /nfs/dbraw/zinc/40/90/62/972409062.db2.gz UBASIAVMEWYAPT-QRVBRYPASA-N 2 2 361.486 1.043 20 30 FDEDLP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001197744219 972409458 /nfs/dbraw/zinc/40/94/58/972409458.db2.gz UBASIAVMEWYAPT-GUDVDZBRSA-N 2 2 361.486 1.043 20 30 FDEDLP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001197744219 972409471 /nfs/dbraw/zinc/40/94/71/972409471.db2.gz UBASIAVMEWYAPT-GUDVDZBRSA-N 2 2 361.486 1.043 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001197744219 972409478 /nfs/dbraw/zinc/40/94/78/972409478.db2.gz UBASIAVMEWYAPT-GUDVDZBRSA-N 2 2 361.486 1.043 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[N@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419894 960414221 /nfs/dbraw/zinc/41/42/21/960414221.db2.gz HFLZSTDJJWWMKR-QWFCFKBJSA-N 2 2 355.486 1.784 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[N@@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419894 960414224 /nfs/dbraw/zinc/41/42/24/960414224.db2.gz HFLZSTDJJWWMKR-QWFCFKBJSA-N 2 2 355.486 1.784 20 30 FDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419894 960414226 /nfs/dbraw/zinc/41/42/26/960414226.db2.gz HFLZSTDJJWWMKR-QWFCFKBJSA-N 2 2 355.486 1.784 20 30 FDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419894 960414232 /nfs/dbraw/zinc/41/42/32/960414232.db2.gz HFLZSTDJJWWMKR-QWFCFKBJSA-N 2 2 355.486 1.784 20 30 FDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3COCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094494068 960597327 /nfs/dbraw/zinc/59/73/27/960597327.db2.gz ABRCIELTVKVSGK-SFHLNBCPSA-N 2 2 359.514 1.624 20 30 FDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3COCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094494068 960597333 /nfs/dbraw/zinc/59/73/33/960597333.db2.gz ABRCIELTVKVSGK-SFHLNBCPSA-N 2 2 359.514 1.624 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094494068 960597345 /nfs/dbraw/zinc/59/73/45/960597345.db2.gz ABRCIELTVKVSGK-SFHLNBCPSA-N 2 2 359.514 1.624 20 30 FDEDLP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3COCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094494068 960597356 /nfs/dbraw/zinc/59/73/56/960597356.db2.gz ABRCIELTVKVSGK-SFHLNBCPSA-N 2 2 359.514 1.624 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)n1cnc(C[NH3+])cc1=N ZINC001183838927 963305550 /nfs/dbraw/zinc/30/55/50/963305550.db2.gz NZVFCQBTLMINFX-QGZVFWFLSA-N 2 2 350.426 1.388 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)n1cnc(C[NH3+])cc1=N ZINC001183838927 963305556 /nfs/dbraw/zinc/30/55/56/963305556.db2.gz NZVFCQBTLMINFX-QGZVFWFLSA-N 2 2 350.426 1.388 20 30 FDEDLP C#C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000773557225 963392239 /nfs/dbraw/zinc/39/22/39/963392239.db2.gz FFPYNGMUCMIIHO-QZTJIDSGSA-N 2 2 362.518 1.417 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001180762542 965575514 /nfs/dbraw/zinc/57/55/14/965575514.db2.gz NGVBZMUNLKUCCS-GUDVDZBRSA-N 2 2 356.470 1.487 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001180762542 965575530 /nfs/dbraw/zinc/57/55/30/965575530.db2.gz NGVBZMUNLKUCCS-GUDVDZBRSA-N 2 2 356.470 1.487 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001188382216 966251745 /nfs/dbraw/zinc/25/17/45/966251745.db2.gz HOSAPGMIWGPSGT-JTDSTZFVSA-N 2 2 358.486 1.558 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001188382216 966251751 /nfs/dbraw/zinc/25/17/51/966251751.db2.gz HOSAPGMIWGPSGT-JTDSTZFVSA-N 2 2 358.486 1.558 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001188382216 966251764 /nfs/dbraw/zinc/25/17/64/966251764.db2.gz HOSAPGMIWGPSGT-JTDSTZFVSA-N 2 2 358.486 1.558 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001188382216 966251773 /nfs/dbraw/zinc/25/17/73/966251773.db2.gz HOSAPGMIWGPSGT-JTDSTZFVSA-N 2 2 358.486 1.558 20 30 FDEDLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1O ZINC001193902627 969916085 /nfs/dbraw/zinc/91/60/85/969916085.db2.gz VGZZHOPTZAYQRI-IPMKNSEASA-N 2 2 356.470 1.094 20 30 FDEDLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1O ZINC001193902627 969916089 /nfs/dbraw/zinc/91/60/89/969916089.db2.gz VGZZHOPTZAYQRI-IPMKNSEASA-N 2 2 356.470 1.094 20 30 FDEDLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193902627 969916092 /nfs/dbraw/zinc/91/60/92/969916092.db2.gz VGZZHOPTZAYQRI-IPMKNSEASA-N 2 2 356.470 1.094 20 30 FDEDLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001193902627 969916094 /nfs/dbraw/zinc/91/60/94/969916094.db2.gz VGZZHOPTZAYQRI-IPMKNSEASA-N 2 2 356.470 1.094 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023873 973805155 /nfs/dbraw/zinc/80/51/55/973805155.db2.gz RFSZITLKWVBVDJ-RTBURBONSA-N 2 2 356.470 1.096 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023873 973805161 /nfs/dbraw/zinc/80/51/61/973805161.db2.gz RFSZITLKWVBVDJ-RTBURBONSA-N 2 2 356.470 1.096 20 30 FDEDLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)c1 ZINC000867998681 977182892 /nfs/dbraw/zinc/18/28/92/977182892.db2.gz YXUPXGACIAMHPO-RTBURBONSA-N 2 2 358.486 1.723 20 30 FDEDLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)c1 ZINC000867998681 977182898 /nfs/dbraw/zinc/18/28/98/977182898.db2.gz YXUPXGACIAMHPO-RTBURBONSA-N 2 2 358.486 1.723 20 30 FDEDLP N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571700 979317014 /nfs/dbraw/zinc/31/70/14/979317014.db2.gz UBFIXTXJFLWDAS-SFHVURJKSA-N 2 2 350.426 1.870 20 30 FDEDLP CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371395 982099559 /nfs/dbraw/zinc/09/95/59/982099559.db2.gz IXFMYDRVZBNJSU-FQEVSTJZSA-N 2 2 371.529 1.510 20 30 FDEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883372331 982101506 /nfs/dbraw/zinc/10/15/06/982101506.db2.gz XAMCADVFWFYQQC-NRFANRHFSA-N 2 2 371.525 1.975 20 30 FDEDLP C=CCC1(O)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000884163543 982939879 /nfs/dbraw/zinc/93/98/79/982939879.db2.gz JJUJAMRKWWZIKM-INIZCTEOSA-N 2 2 350.507 1.268 20 30 FDEDLP C=CCC1(O)CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000884163543 982939882 /nfs/dbraw/zinc/93/98/82/982939882.db2.gz JJUJAMRKWWZIKM-INIZCTEOSA-N 2 2 350.507 1.268 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884328775 983089063 /nfs/dbraw/zinc/08/90/63/983089063.db2.gz XFJXSRFPGLEPDC-NXHRZFHOSA-N 2 2 359.470 1.460 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884328775 983089068 /nfs/dbraw/zinc/08/90/68/983089068.db2.gz XFJXSRFPGLEPDC-NXHRZFHOSA-N 2 2 359.470 1.460 20 30 FDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070190 989023680 /nfs/dbraw/zinc/02/36/80/989023680.db2.gz HGUDVCRMAURFDV-QXAKKESOSA-N 2 2 359.518 1.912 20 30 FDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070190 989023685 /nfs/dbraw/zinc/02/36/85/989023685.db2.gz HGUDVCRMAURFDV-QXAKKESOSA-N 2 2 359.518 1.912 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH+](CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070190 989023695 /nfs/dbraw/zinc/02/36/95/989023695.db2.gz HGUDVCRMAURFDV-QXAKKESOSA-N 2 2 359.518 1.912 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH+](CC)[C@H]2c2cnn(C)c2)C1=O ZINC000369070190 989023703 /nfs/dbraw/zinc/02/37/03/989023703.db2.gz HGUDVCRMAURFDV-QXAKKESOSA-N 2 2 359.518 1.912 20 30 FDEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)[nH+]1 ZINC000369513485 989057437 /nfs/dbraw/zinc/05/74/37/989057437.db2.gz YUZODPZSEPGYRG-KRWDZBQOSA-N 2 2 354.458 1.922 20 30 FDEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)[nH+]1 ZINC000369513485 989057444 /nfs/dbraw/zinc/05/74/44/989057444.db2.gz YUZODPZSEPGYRG-KRWDZBQOSA-N 2 2 354.458 1.922 20 30 FDEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000371540476 990512385 /nfs/dbraw/zinc/51/23/85/990512385.db2.gz YANWNPOREUUOCH-RBUKOAKNSA-N 2 2 351.454 1.912 20 30 FDEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000371540476 990512391 /nfs/dbraw/zinc/51/23/91/990512391.db2.gz YANWNPOREUUOCH-RBUKOAKNSA-N 2 2 351.454 1.912 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876713836 992819144 /nfs/dbraw/zinc/81/91/44/992819144.db2.gz UJCJXBAFAZQWMR-PKOBYXMFSA-N 2 2 356.470 1.218 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876713836 992819172 /nfs/dbraw/zinc/81/91/72/992819172.db2.gz UJCJXBAFAZQWMR-PKOBYXMFSA-N 2 2 356.470 1.218 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000876769770 992892928 /nfs/dbraw/zinc/89/29/28/992892928.db2.gz ZOMHLQZRYPCOIM-LSDHHAIUSA-N 2 2 351.882 1.178 20 30 FDEDLP CCO[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000926820283 996321636 /nfs/dbraw/zinc/32/16/36/996321636.db2.gz DGWDLRXPEOWWEW-IBGZPJMESA-N 2 2 373.501 1.352 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC000826565383 997149501 /nfs/dbraw/zinc/14/95/01/997149501.db2.gz VLGYFCKWWZWGSB-OAQYLSRUSA-N 2 2 369.509 1.657 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC000826565383 997149508 /nfs/dbraw/zinc/14/95/08/997149508.db2.gz VLGYFCKWWZWGSB-OAQYLSRUSA-N 2 2 369.509 1.657 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cc[nH+]c2)C3)C1=O ZINC001111497488 998995562 /nfs/dbraw/zinc/99/55/62/998995562.db2.gz XZGHUNBNILTZDH-ZJPYXAASSA-N 2 2 371.485 1.172 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cc[nH+]c2)C3)C1=O ZINC001111497488 998995567 /nfs/dbraw/zinc/99/55/67/998995567.db2.gz XZGHUNBNILTZDH-ZJPYXAASSA-N 2 2 371.485 1.172 20 30 FDEDLP CC[NH+]1CCN(c2cc(N3CC[NH+](CC)CC3)c([N+](=O)[O-])cc2C#N)CC1 ZINC000285594758 999915953 /nfs/dbraw/zinc/91/59/53/999915953.db2.gz LILKPISDDXVJPU-UHFFFAOYSA-N 2 2 372.473 1.750 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000928650900 1001608773 /nfs/dbraw/zinc/60/87/73/1001608773.db2.gz HSTCKFRSFMSFQZ-UHFFFAOYSA-N 2 2 350.466 1.983 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000928650900 1001608777 /nfs/dbraw/zinc/60/87/77/1001608777.db2.gz HSTCKFRSFMSFQZ-UHFFFAOYSA-N 2 2 350.466 1.983 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111277528 1002463892 /nfs/dbraw/zinc/46/38/92/1002463892.db2.gz WMTBJMOOXLNMDL-QRQLOZEOSA-N 2 2 374.460 1.497 20 30 FDEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111277528 1002463902 /nfs/dbraw/zinc/46/39/02/1002463902.db2.gz WMTBJMOOXLNMDL-QRQLOZEOSA-N 2 2 374.460 1.497 20 30 FDEDLP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC000949194083 1003080560 /nfs/dbraw/zinc/08/05/60/1003080560.db2.gz HURCHPQXWYNPLP-IAGOWNOFSA-N 2 2 358.486 1.793 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285525 1004025735 /nfs/dbraw/zinc/02/57/35/1004025735.db2.gz PKKVNTJHWLNCOU-IBGZPJMESA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285525 1004025742 /nfs/dbraw/zinc/02/57/42/1004025742.db2.gz PKKVNTJHWLNCOU-IBGZPJMESA-N 2 2 359.470 1.485 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001111023636 1004745228 /nfs/dbraw/zinc/74/52/28/1004745228.db2.gz TXXLXOJYBSABEQ-PDOICOKGSA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001111023636 1004745233 /nfs/dbraw/zinc/74/52/33/1004745233.db2.gz TXXLXOJYBSABEQ-PDOICOKGSA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001111023636 1004745235 /nfs/dbraw/zinc/74/52/35/1004745235.db2.gz TXXLXOJYBSABEQ-PDOICOKGSA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001111023636 1004745237 /nfs/dbraw/zinc/74/52/37/1004745237.db2.gz TXXLXOJYBSABEQ-PDOICOKGSA-N 2 2 365.493 1.570 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111081426 1005809962 /nfs/dbraw/zinc/80/99/62/1005809962.db2.gz UXESKDXAPFKYBB-HZMVEIRTSA-N 2 2 373.501 1.419 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111081426 1005809963 /nfs/dbraw/zinc/80/99/63/1005809963.db2.gz UXESKDXAPFKYBB-HZMVEIRTSA-N 2 2 373.501 1.419 20 30 FDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303788832 1009583726 /nfs/dbraw/zinc/58/37/26/1009583726.db2.gz UUESGEYBNBDNJE-LJQANCHMSA-N 3 2 359.518 1.407 20 30 FDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303788832 1009583738 /nfs/dbraw/zinc/58/37/38/1009583738.db2.gz UUESGEYBNBDNJE-LJQANCHMSA-N 3 2 359.518 1.407 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408275 1012199453 /nfs/dbraw/zinc/19/94/53/1012199453.db2.gz QNZPQTVDNQWEHM-KURKYZTESA-N 2 2 373.501 1.338 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408275 1012199460 /nfs/dbraw/zinc/19/94/60/1012199460.db2.gz QNZPQTVDNQWEHM-KURKYZTESA-N 2 2 373.501 1.338 20 30 FDEDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528731560 539781139 /nfs/dbraw/zinc/78/11/39/539781139.db2.gz YNCUXKUYVIABSC-GOSISDBHSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C2 ZINC000550977910 543209573 /nfs/dbraw/zinc/20/95/73/543209573.db2.gz KSODUTSBWCRJLU-WDSOQIARSA-N 2 2 366.469 1.021 20 30 FDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C2 ZINC000550977910 543209576 /nfs/dbraw/zinc/20/95/76/543209576.db2.gz KSODUTSBWCRJLU-WDSOQIARSA-N 2 2 366.469 1.021 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(=O)NCC(F)(F)F)CC2)cc1 ZINC000181602687 174235836 /nfs/dbraw/zinc/23/58/36/174235836.db2.gz MULMTUQTIZXMEW-UHFFFAOYSA-N 2 2 354.376 1.791 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000555686216 544005547 /nfs/dbraw/zinc/00/55/47/544005547.db2.gz UBWVVAKQAUJRHY-XNHLSEOASA-N 2 2 350.507 1.568 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000555686216 544005550 /nfs/dbraw/zinc/00/55/50/544005550.db2.gz UBWVVAKQAUJRHY-XNHLSEOASA-N 2 2 350.507 1.568 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000555686216 544005554 /nfs/dbraw/zinc/00/55/54/544005554.db2.gz UBWVVAKQAUJRHY-XNHLSEOASA-N 2 2 350.507 1.568 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000555686216 544005555 /nfs/dbraw/zinc/00/55/55/544005555.db2.gz UBWVVAKQAUJRHY-XNHLSEOASA-N 2 2 350.507 1.568 20 30 FDEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368435406 260182852 /nfs/dbraw/zinc/18/28/52/260182852.db2.gz LPUSDWBHMIHGLX-IBGZPJMESA-N 2 2 355.486 1.868 20 30 FDEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368435406 260182853 /nfs/dbraw/zinc/18/28/53/260182853.db2.gz LPUSDWBHMIHGLX-IBGZPJMESA-N 2 2 355.486 1.868 20 30 FDEDLP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000122093349 524449692 /nfs/dbraw/zinc/44/96/92/524449692.db2.gz AYWCGOYBSGMRIH-UHFFFAOYSA-N 2 2 368.441 1.505 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cccc(OCC#N)c3)CC2)CC1 ZINC000089805465 524530377 /nfs/dbraw/zinc/53/03/77/524530377.db2.gz NWYGVGNBHMFHNZ-UHFFFAOYSA-N 2 2 370.497 1.806 20 30 FDEDLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000160263663 524843394 /nfs/dbraw/zinc/84/33/94/524843394.db2.gz MUYJPIJMVGMWBV-QGZVFWFLSA-N 2 2 351.410 1.717 20 30 FDEDLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000160263663 524843404 /nfs/dbraw/zinc/84/34/04/524843404.db2.gz MUYJPIJMVGMWBV-QGZVFWFLSA-N 2 2 351.410 1.717 20 30 FDEDLP COc1ccc(NC(=[NH2+])NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000104178561 525397730 /nfs/dbraw/zinc/39/77/30/525397730.db2.gz UQVMWWZNCSUYJH-QGZVFWFLSA-N 2 2 350.488 1.630 20 30 FDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CCO[C@H](COC)C1 ZINC000179263624 525550771 /nfs/dbraw/zinc/55/07/71/525550771.db2.gz QLZYYMYCGJUIFT-HNNXBMFYSA-N 2 2 352.504 1.029 20 30 FDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N1CCO[C@H](COC)C1 ZINC000179263624 525550780 /nfs/dbraw/zinc/55/07/80/525550780.db2.gz QLZYYMYCGJUIFT-HNNXBMFYSA-N 2 2 352.504 1.029 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCN(CC)CC3)C2)CC1 ZINC000106562943 525758799 /nfs/dbraw/zinc/75/87/99/525758799.db2.gz NLADVEYLCHJAOG-IBGZPJMESA-N 2 2 363.550 1.448 20 30 FDEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 ZINC000181871743 525964540 /nfs/dbraw/zinc/96/45/40/525964540.db2.gz UOTYRNWKLYUVGL-HXUWFJFHSA-N 2 2 370.497 1.750 20 30 FDEDLP CN(C)c1nc(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000134160745 526130927 /nfs/dbraw/zinc/13/09/27/526130927.db2.gz SYXZJBHCTNOTHT-UHFFFAOYSA-N 2 2 352.442 1.615 20 30 FDEDLP COCC[NH+](CCOC)C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000285577433 537732362 /nfs/dbraw/zinc/73/23/62/537732362.db2.gz UVHDXFCJRSYSMO-UHFFFAOYSA-N 2 2 361.486 1.996 20 30 FDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000563003603 546350610 /nfs/dbraw/zinc/35/06/10/546350610.db2.gz VNXGPHXUQYCKLG-VQTJNVASSA-N 2 2 360.502 1.073 20 30 FDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000563003603 546350614 /nfs/dbraw/zinc/35/06/14/546350614.db2.gz VNXGPHXUQYCKLG-VQTJNVASSA-N 2 2 360.502 1.073 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000565954290 547546083 /nfs/dbraw/zinc/54/60/83/547546083.db2.gz LLDKBOZJAXOIND-JXXFODFXSA-N 2 2 358.486 1.869 20 30 FDEDLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1C ZINC000569204960 548832972 /nfs/dbraw/zinc/83/29/72/548832972.db2.gz APPOWODYVYLVGD-KRWDZBQOSA-N 2 2 352.442 1.248 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H](C[NH3+])C1 ZINC000569673633 549004122 /nfs/dbraw/zinc/00/41/22/549004122.db2.gz KMRMZDGEIOGBAO-HNNXBMFYSA-N 2 2 370.482 1.712 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H](C[NH3+])C1 ZINC000569673633 549004125 /nfs/dbraw/zinc/00/41/25/549004125.db2.gz KMRMZDGEIOGBAO-HNNXBMFYSA-N 2 2 370.482 1.712 20 30 FDEDLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000572804350 549997970 /nfs/dbraw/zinc/99/79/70/549997970.db2.gz UJZSTYCOMXYFAY-DOTOQJQBSA-N 2 2 362.499 1.405 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)CC1 ZINC000591062158 551840596 /nfs/dbraw/zinc/84/05/96/551840596.db2.gz MQHYDFMVGFWOQM-YSIASYRMSA-N 2 2 352.482 1.946 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)CC1 ZINC000591062158 551840597 /nfs/dbraw/zinc/84/05/97/551840597.db2.gz MQHYDFMVGFWOQM-YSIASYRMSA-N 2 2 352.482 1.946 20 30 FDEDLP COc1ccc2ncc(C#N)c(NCC[NH+]3CCC([NH+](C)C)CC3)c2c1 ZINC000591922715 551916883 /nfs/dbraw/zinc/91/68/83/551916883.db2.gz WOWSDDHDWFLKCM-UHFFFAOYSA-N 2 2 353.470 1.975 20 30 FDEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592146161 551949275 /nfs/dbraw/zinc/94/92/75/551949275.db2.gz FGGPGOZIGAPPSI-OAQYLSRUSA-N 2 2 370.497 1.426 20 30 FDEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592146161 551949276 /nfs/dbraw/zinc/94/92/76/551949276.db2.gz FGGPGOZIGAPPSI-OAQYLSRUSA-N 2 2 370.497 1.426 20 30 FDEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000594503782 552326486 /nfs/dbraw/zinc/32/64/86/552326486.db2.gz BIRAQLIVNZFRQM-WOJBJXKFSA-N 2 2 368.481 1.897 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596828520 552715111 /nfs/dbraw/zinc/71/51/11/552715111.db2.gz LMYJSWZDONIBGN-QGZVFWFLSA-N 2 2 351.454 1.977 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596828520 552715113 /nfs/dbraw/zinc/71/51/13/552715113.db2.gz LMYJSWZDONIBGN-QGZVFWFLSA-N 2 2 351.454 1.977 20 30 FDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000596830139 552715375 /nfs/dbraw/zinc/71/53/75/552715375.db2.gz ZAMDPVQGWWKIQU-QZTJIDSGSA-N 2 2 351.454 1.986 20 30 FDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000610503614 554519930 /nfs/dbraw/zinc/51/99/30/554519930.db2.gz NSUBTTKPSHKMGY-HXUWFJFHSA-N 2 2 369.513 1.669 20 30 FDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610559822 554528025 /nfs/dbraw/zinc/52/80/25/554528025.db2.gz WGEFUGJQJBWAAO-UHFFFAOYSA-N 2 2 369.429 1.347 20 30 FDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000611394871 554630485 /nfs/dbraw/zinc/63/04/85/554630485.db2.gz OHKQBZMEYQDNKE-UYAOXDASSA-N 2 2 368.481 1.458 20 30 FDEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000611394870 554630591 /nfs/dbraw/zinc/63/05/91/554630591.db2.gz OHKQBZMEYQDNKE-QUCCMNQESA-N 2 2 368.481 1.458 20 30 FDEDLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000613994658 554995313 /nfs/dbraw/zinc/99/53/13/554995313.db2.gz AEOXVJJDAOIOBC-GJZGRUSLSA-N 2 2 351.372 1.324 20 30 FDEDLP C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2C1=O ZINC000617768470 555509028 /nfs/dbraw/zinc/50/90/28/555509028.db2.gz FMTJEXKQLXYTSM-UHFFFAOYSA-N 2 2 372.469 1.082 20 30 FDEDLP C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2C1=O ZINC000617768470 555509029 /nfs/dbraw/zinc/50/90/29/555509029.db2.gz FMTJEXKQLXYTSM-UHFFFAOYSA-N 2 2 372.469 1.082 20 30 FDEDLP C=CC(C)(C)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000625410621 556797901 /nfs/dbraw/zinc/79/79/01/556797901.db2.gz YOUMJMNURZETOJ-UHFFFAOYSA-N 2 2 352.523 1.189 20 30 FDEDLP C=CC(C)(C)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000625410621 556797903 /nfs/dbraw/zinc/79/79/03/556797903.db2.gz YOUMJMNURZETOJ-UHFFFAOYSA-N 2 2 352.523 1.189 20 30 FDEDLP C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625467752 556816442 /nfs/dbraw/zinc/81/64/42/556816442.db2.gz AHNORMAAGUIONK-KRWDZBQOSA-N 2 2 364.534 1.332 20 30 FDEDLP C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625467752 556816444 /nfs/dbraw/zinc/81/64/44/556816444.db2.gz AHNORMAAGUIONK-KRWDZBQOSA-N 2 2 364.534 1.332 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1cc(Cl)cn1C ZINC000262018525 672712673 /nfs/dbraw/zinc/71/26/73/672712673.db2.gz YIKKITNYJWZHOX-UHFFFAOYSA-N 2 2 351.886 1.685 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266889 678501273 /nfs/dbraw/zinc/50/12/73/678501273.db2.gz MWZIPZZOTWQTAK-QGZVFWFLSA-N 3 2 350.551 1.805 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266889 678501276 /nfs/dbraw/zinc/50/12/76/678501276.db2.gz MWZIPZZOTWQTAK-QGZVFWFLSA-N 3 2 350.551 1.805 20 30 FDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000969686348 770645592 /nfs/dbraw/zinc/64/55/92/770645592.db2.gz AWXVHUVWARDZGU-OLMNPRSZSA-N 2 2 369.937 1.922 20 30 FDEDLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969959767 771121325 /nfs/dbraw/zinc/12/13/25/771121325.db2.gz WOYMNDAZSXAMJJ-SPYBWZPUSA-N 2 2 356.470 1.214 20 30 FDEDLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969959767 771121333 /nfs/dbraw/zinc/12/13/33/771121333.db2.gz WOYMNDAZSXAMJJ-SPYBWZPUSA-N 2 2 356.470 1.214 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)C1 ZINC000891607414 778505886 /nfs/dbraw/zinc/50/58/86/778505886.db2.gz MSUNNNZNAPUBNK-IBGZPJMESA-N 2 2 370.497 1.681 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)C1 ZINC000891607414 778505888 /nfs/dbraw/zinc/50/58/88/778505888.db2.gz MSUNNNZNAPUBNK-IBGZPJMESA-N 2 2 370.497 1.681 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2C#N)O1 ZINC001024997922 787105980 /nfs/dbraw/zinc/10/59/80/787105980.db2.gz BSSCGXVWBGATCY-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2C#N)O1 ZINC001024997922 787105985 /nfs/dbraw/zinc/10/59/85/787105985.db2.gz BSSCGXVWBGATCY-NSISKUIASA-N 2 2 370.497 1.748 20 30 FDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104577521 788348691 /nfs/dbraw/zinc/34/86/91/788348691.db2.gz ROQUYENNFBDFDG-GGPKGHCWSA-N 2 2 361.530 1.727 20 30 FDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104577521 788348700 /nfs/dbraw/zinc/34/87/00/788348700.db2.gz ROQUYENNFBDFDG-GGPKGHCWSA-N 2 2 361.530 1.727 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000511805597 800242383 /nfs/dbraw/zinc/24/23/83/800242383.db2.gz GVJPSTRRDYNQBZ-HXUWFJFHSA-N 2 2 356.514 1.523 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000511805597 800242389 /nfs/dbraw/zinc/24/23/89/800242389.db2.gz GVJPSTRRDYNQBZ-HXUWFJFHSA-N 2 2 356.514 1.523 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974883383 800484161 /nfs/dbraw/zinc/48/41/61/800484161.db2.gz WTILIVXCUKTXIJ-FGTMMUONSA-N 2 2 365.518 1.269 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C(C)(C)C1 ZINC000974883383 800484167 /nfs/dbraw/zinc/48/41/67/800484167.db2.gz WTILIVXCUKTXIJ-FGTMMUONSA-N 2 2 365.518 1.269 20 30 FDEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC000978163282 805227908 /nfs/dbraw/zinc/22/79/08/805227908.db2.gz BNDYUPDOHCUIAZ-NNIGNNQHSA-N 2 2 352.482 1.471 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC000978163282 805227917 /nfs/dbraw/zinc/22/79/17/805227917.db2.gz BNDYUPDOHCUIAZ-NNIGNNQHSA-N 2 2 352.482 1.471 20 30 FDEDLP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087475971 818349121 /nfs/dbraw/zinc/34/91/21/818349121.db2.gz MADBMSNXXWBMAT-QMMLZNLJSA-N 2 2 369.509 1.944 20 30 FDEDLP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087475971 818349128 /nfs/dbraw/zinc/34/91/28/818349128.db2.gz MADBMSNXXWBMAT-QMMLZNLJSA-N 2 2 369.509 1.944 20 30 FDEDLP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001087475971 818349138 /nfs/dbraw/zinc/34/91/38/818349138.db2.gz MADBMSNXXWBMAT-QMMLZNLJSA-N 2 2 369.509 1.944 20 30 FDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000328861672 819569553 /nfs/dbraw/zinc/56/95/53/819569553.db2.gz LWCMRZHWXNAYKB-OIISXLGYSA-N 2 2 361.490 1.501 20 30 FDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000328861669 819569750 /nfs/dbraw/zinc/56/97/50/819569750.db2.gz LWCMRZHWXNAYKB-DJIMGWMZSA-N 2 2 361.490 1.501 20 30 FDEDLP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCN(C(=O)CC#N)CC2)CC1 ZINC000895066182 819845183 /nfs/dbraw/zinc/84/51/83/819845183.db2.gz PENWXZIDGUKFPL-UHFFFAOYSA-N 2 2 369.513 1.776 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CO[NH+]=C(N)C2CCCCCC2)C1 ZINC000179005801 820459485 /nfs/dbraw/zinc/45/94/85/820459485.db2.gz HHOUTVBYLNVTOD-QGZVFWFLSA-N 2 2 368.522 1.719 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CO[NH+]=C(N)C2CCCCCC2)C1 ZINC000179005801 820459490 /nfs/dbraw/zinc/45/94/90/820459490.db2.gz HHOUTVBYLNVTOD-QGZVFWFLSA-N 2 2 368.522 1.719 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)[C@@H]1CC ZINC001087606940 821713195 /nfs/dbraw/zinc/71/31/95/821713195.db2.gz APNWFFAMWCXSFM-OTWHNJEPSA-N 2 2 355.486 1.352 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)[C@@H]1CC ZINC001087606940 821713202 /nfs/dbraw/zinc/71/32/02/821713202.db2.gz APNWFFAMWCXSFM-OTWHNJEPSA-N 2 2 355.486 1.352 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)ncn2)[C@@H]1CC ZINC001087606940 821713205 /nfs/dbraw/zinc/71/32/05/821713205.db2.gz APNWFFAMWCXSFM-OTWHNJEPSA-N 2 2 355.486 1.352 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)ncn2)[C@@H]1CC ZINC001087606940 821713207 /nfs/dbraw/zinc/71/32/07/821713207.db2.gz APNWFFAMWCXSFM-OTWHNJEPSA-N 2 2 355.486 1.352 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)noc2C)[C@@H]1CC ZINC001087606965 821713732 /nfs/dbraw/zinc/71/37/32/821713732.db2.gz BWUNCYOWVRDLAJ-OTWHNJEPSA-N 2 2 358.486 1.858 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)noc2C)[C@@H]1CC ZINC001087606965 821713740 /nfs/dbraw/zinc/71/37/40/821713740.db2.gz BWUNCYOWVRDLAJ-OTWHNJEPSA-N 2 2 358.486 1.858 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)noc2C)[C@@H]1CC ZINC001087606965 821713746 /nfs/dbraw/zinc/71/37/46/821713746.db2.gz BWUNCYOWVRDLAJ-OTWHNJEPSA-N 2 2 358.486 1.858 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)noc2C)[C@@H]1CC ZINC001087606965 821713754 /nfs/dbraw/zinc/71/37/54/821713754.db2.gz BWUNCYOWVRDLAJ-OTWHNJEPSA-N 2 2 358.486 1.858 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087797161 822450916 /nfs/dbraw/zinc/45/09/16/822450916.db2.gz ADTZLFLZMDOXKK-VQTJNVASSA-N 2 2 350.466 1.983 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC#Cc1ccccc1 ZINC001087797161 822450917 /nfs/dbraw/zinc/45/09/17/822450917.db2.gz ADTZLFLZMDOXKK-VQTJNVASSA-N 2 2 350.466 1.983 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329145619 824625895 /nfs/dbraw/zinc/62/58/95/824625895.db2.gz NULVWDBECQNLDX-VQIMIIECSA-N 2 2 368.522 1.196 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329145619 824625898 /nfs/dbraw/zinc/62/58/98/824625898.db2.gz NULVWDBECQNLDX-VQIMIIECSA-N 2 2 368.522 1.196 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021456 825331566 /nfs/dbraw/zinc/33/15/66/825331566.db2.gz MIVVBAIPLGUDME-KGLIPLIRSA-N 2 2 352.866 1.883 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021456 825331572 /nfs/dbraw/zinc/33/15/72/825331572.db2.gz MIVVBAIPLGUDME-KGLIPLIRSA-N 2 2 352.866 1.883 20 30 FDEDLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961692 825568407 /nfs/dbraw/zinc/56/84/07/825568407.db2.gz RSXYSWBNNFXYSO-HOTGVXAUSA-N 2 2 361.490 1.545 20 30 FDEDLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961692 825568410 /nfs/dbraw/zinc/56/84/10/825568410.db2.gz RSXYSWBNNFXYSO-HOTGVXAUSA-N 2 2 361.490 1.545 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C)no4)CC[C@@H]3C2)CC1 ZINC001088212124 827493930 /nfs/dbraw/zinc/49/39/30/827493930.db2.gz QPCNXLHHWJGUGF-MSOLQXFVSA-N 2 2 371.485 1.004 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C)no4)CC[C@@H]3C2)CC1 ZINC001088212124 827493936 /nfs/dbraw/zinc/49/39/36/827493936.db2.gz QPCNXLHHWJGUGF-MSOLQXFVSA-N 2 2 371.485 1.004 20 30 FDEDLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001088219605 827539519 /nfs/dbraw/zinc/53/95/19/827539519.db2.gz LJEGORHZOPKTBO-MOPGFXCFSA-N 2 2 366.440 1.854 20 30 FDEDLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001088219605 827539525 /nfs/dbraw/zinc/53/95/25/827539525.db2.gz LJEGORHZOPKTBO-MOPGFXCFSA-N 2 2 366.440 1.854 20 30 FDEDLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528519477 829434810 /nfs/dbraw/zinc/43/48/10/829434810.db2.gz NJZHYERNRXZSOH-SFHVURJKSA-N 2 2 361.486 1.370 20 30 FDEDLP C[NH+]1CCN(Cc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)CC1 ZINC000531293126 830675133 /nfs/dbraw/zinc/67/51/33/830675133.db2.gz WZLXJMYKFCBQFW-UHFFFAOYSA-N 2 2 355.486 1.152 20 30 FDEDLP CN1CC[NH+](Cc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)CC1 ZINC000531293126 830675147 /nfs/dbraw/zinc/67/51/47/830675147.db2.gz WZLXJMYKFCBQFW-UHFFFAOYSA-N 2 2 355.486 1.152 20 30 FDEDLP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029920363 831218589 /nfs/dbraw/zinc/21/85/89/831218589.db2.gz VOMOYDVQLXBDSA-HMXCVIKNSA-N 2 2 369.509 1.832 20 30 FDEDLP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029920363 831218598 /nfs/dbraw/zinc/21/85/98/831218598.db2.gz VOMOYDVQLXBDSA-HMXCVIKNSA-N 2 2 369.509 1.832 20 30 FDEDLP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029920363 831218604 /nfs/dbraw/zinc/21/86/04/831218604.db2.gz VOMOYDVQLXBDSA-HMXCVIKNSA-N 2 2 369.509 1.832 20 30 FDEDLP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029920363 831218614 /nfs/dbraw/zinc/21/86/14/831218614.db2.gz VOMOYDVQLXBDSA-HMXCVIKNSA-N 2 2 369.509 1.832 20 30 FDEDLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459367717 835080256 /nfs/dbraw/zinc/08/02/56/835080256.db2.gz XIPKTDVLVMAUJJ-UHFFFAOYSA-N 2 2 359.430 1.356 20 30 FDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000455157311 835929385 /nfs/dbraw/zinc/92/93/85/835929385.db2.gz XZCUAIICENPUOR-SFHVURJKSA-N 2 2 351.454 1.908 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088659425 839466648 /nfs/dbraw/zinc/46/66/48/839466648.db2.gz RQTRTCPKBSCKLC-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088659425 839466652 /nfs/dbraw/zinc/46/66/52/839466652.db2.gz RQTRTCPKBSCKLC-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088659425 839466654 /nfs/dbraw/zinc/46/66/54/839466654.db2.gz RQTRTCPKBSCKLC-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088659425 839466656 /nfs/dbraw/zinc/46/66/56/839466656.db2.gz RQTRTCPKBSCKLC-VVWQDTPRSA-N 2 2 356.470 1.356 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001083668266 861231198 /nfs/dbraw/zinc/23/11/98/861231198.db2.gz JWWIMSLRVDKLOI-AABGKKOBSA-N 2 2 368.481 1.094 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001083668266 861231207 /nfs/dbraw/zinc/23/12/07/861231207.db2.gz JWWIMSLRVDKLOI-AABGKKOBSA-N 2 2 368.481 1.094 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088749822 842885738 /nfs/dbraw/zinc/88/57/38/842885738.db2.gz QXZGTOJEAQPKKS-KDOFPFPSSA-N 2 2 355.417 1.982 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088749822 842885742 /nfs/dbraw/zinc/88/57/42/842885742.db2.gz QXZGTOJEAQPKKS-KDOFPFPSSA-N 2 2 355.417 1.982 20 30 FDEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083505261 844934359 /nfs/dbraw/zinc/93/43/59/844934359.db2.gz GEKLFZQAWBWCQR-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083505261 844934361 /nfs/dbraw/zinc/93/43/61/844934361.db2.gz GEKLFZQAWBWCQR-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083505261 844934366 /nfs/dbraw/zinc/93/43/66/844934366.db2.gz GEKLFZQAWBWCQR-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083505261 844934368 /nfs/dbraw/zinc/93/43/68/844934368.db2.gz GEKLFZQAWBWCQR-QYZOEREBSA-N 2 2 356.470 1.094 20 30 FDEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083521641 846091928 /nfs/dbraw/zinc/09/19/28/846091928.db2.gz BNNRNXHXMFJTQQ-HBMCJLEFSA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083521641 846091934 /nfs/dbraw/zinc/09/19/34/846091934.db2.gz BNNRNXHXMFJTQQ-HBMCJLEFSA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083521641 846091940 /nfs/dbraw/zinc/09/19/40/846091940.db2.gz BNNRNXHXMFJTQQ-HBMCJLEFSA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083521641 846091947 /nfs/dbraw/zinc/09/19/47/846091947.db2.gz BNNRNXHXMFJTQQ-HBMCJLEFSA-N 2 2 369.509 1.177 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001083535884 846924251 /nfs/dbraw/zinc/92/42/51/846924251.db2.gz RWARCPGRKMGXMI-IKGGRYGDSA-N 2 2 369.456 1.071 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001083535884 846924252 /nfs/dbraw/zinc/92/42/52/846924252.db2.gz RWARCPGRKMGXMI-IKGGRYGDSA-N 2 2 369.456 1.071 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001083535884 846924254 /nfs/dbraw/zinc/92/42/54/846924254.db2.gz RWARCPGRKMGXMI-IKGGRYGDSA-N 2 2 369.456 1.071 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001083535884 846924264 /nfs/dbraw/zinc/92/42/64/846924264.db2.gz RWARCPGRKMGXMI-IKGGRYGDSA-N 2 2 369.456 1.071 20 30 FDEDLP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000899967836 846955649 /nfs/dbraw/zinc/95/56/49/846955649.db2.gz XORRGCNKPMHHHM-FQEVSTJZSA-N 2 2 356.470 1.049 20 30 FDEDLP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000899967836 846955654 /nfs/dbraw/zinc/95/56/54/846955654.db2.gz XORRGCNKPMHHHM-FQEVSTJZSA-N 2 2 356.470 1.049 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001077312140 850513206 /nfs/dbraw/zinc/51/32/06/850513206.db2.gz PHBKFYLFXMLUIJ-RTBURBONSA-N 2 2 361.405 1.181 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001077312140 850513215 /nfs/dbraw/zinc/51/32/15/850513215.db2.gz PHBKFYLFXMLUIJ-RTBURBONSA-N 2 2 361.405 1.181 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)[C@@H]2C)CC1 ZINC001089060111 866390622 /nfs/dbraw/zinc/39/06/22/866390622.db2.gz UKWAOHAYLGVRRP-XLIONFOSSA-N 2 2 371.529 1.888 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C(C)C)n3)[C@@H]2C)CC1 ZINC001089060111 866390630 /nfs/dbraw/zinc/39/06/30/866390630.db2.gz UKWAOHAYLGVRRP-XLIONFOSSA-N 2 2 371.529 1.888 20 30 FDEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495889 872518941 /nfs/dbraw/zinc/51/89/41/872518941.db2.gz SJUBFAXQZVHSAF-QZTJIDSGSA-N 2 2 365.518 1.105 20 30 FDEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495889 872518947 /nfs/dbraw/zinc/51/89/47/872518947.db2.gz SJUBFAXQZVHSAF-QZTJIDSGSA-N 2 2 365.518 1.105 20 30 FDEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495889 872518962 /nfs/dbraw/zinc/51/89/62/872518962.db2.gz SJUBFAXQZVHSAF-QZTJIDSGSA-N 2 2 365.518 1.105 20 30 FDEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495889 872518968 /nfs/dbraw/zinc/51/89/68/872518968.db2.gz SJUBFAXQZVHSAF-QZTJIDSGSA-N 2 2 365.518 1.105 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001106474454 875573354 /nfs/dbraw/zinc/57/33/54/875573354.db2.gz MYDGUAYBEPCGDW-ZTFGCOKTSA-N 2 2 369.937 1.924 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001106474454 875573363 /nfs/dbraw/zinc/57/33/63/875573363.db2.gz MYDGUAYBEPCGDW-ZTFGCOKTSA-N 2 2 369.937 1.924 20 30 FDEDLP C[NH+]1CCC(CNC(=O)N2CCC(F)(C#N)CC2)([NH+]2CCCCC2)CC1 ZINC000498404376 884917671 /nfs/dbraw/zinc/91/76/71/884917671.db2.gz ZVGBKSHWJBNXHU-UHFFFAOYSA-N 2 2 365.497 1.974 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001129079399 885687808 /nfs/dbraw/zinc/68/78/08/885687808.db2.gz IXYVVBJYUQRHNU-MSOLQXFVSA-N 2 2 365.441 1.776 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001129079399 885687819 /nfs/dbraw/zinc/68/78/19/885687819.db2.gz IXYVVBJYUQRHNU-MSOLQXFVSA-N 2 2 365.441 1.776 20 30 FDEDLP C[NH+]1CCC(n2ccc(NC(=O)NCCc3cn4c([nH+]3)CCCC4)n2)CC1 ZINC000330221537 887594587 /nfs/dbraw/zinc/59/45/87/887594587.db2.gz RFVREALKFFJXBJ-UHFFFAOYSA-N 2 2 371.489 2.251 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000923561796 889834597 /nfs/dbraw/zinc/83/45/97/889834597.db2.gz MJYIAHFQBBTQDA-IBGZPJMESA-N 3 2 360.546 1.397 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000923561796 889834607 /nfs/dbraw/zinc/83/46/07/889834607.db2.gz MJYIAHFQBBTQDA-IBGZPJMESA-N 3 2 360.546 1.397 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001107044667 900088899 /nfs/dbraw/zinc/08/88/99/900088899.db2.gz LDSWCVXOTLOJJM-QRQLOZEOSA-N 2 2 360.502 1.571 20 30 FDEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083908789 901567254 /nfs/dbraw/zinc/56/72/54/901567254.db2.gz WZBQARABTCRKDL-RTWAWAEBSA-N 2 2 369.509 1.320 20 30 FDEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083908789 901567263 /nfs/dbraw/zinc/56/72/63/901567263.db2.gz WZBQARABTCRKDL-RTWAWAEBSA-N 2 2 369.509 1.320 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129801 901935795 /nfs/dbraw/zinc/93/57/95/901935795.db2.gz HVRIYPWAQPCXPV-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129801 901935800 /nfs/dbraw/zinc/93/58/00/901935800.db2.gz HVRIYPWAQPCXPV-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079129801 901935813 /nfs/dbraw/zinc/93/58/13/901935813.db2.gz HVRIYPWAQPCXPV-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079129801 901935815 /nfs/dbraw/zinc/93/58/15/901935815.db2.gz HVRIYPWAQPCXPV-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265447 902310446 /nfs/dbraw/zinc/31/04/46/902310446.db2.gz JWBBDVRPIVWUAY-NZSAHSFTSA-N 2 2 370.497 1.551 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265447 902310460 /nfs/dbraw/zinc/31/04/60/902310460.db2.gz JWBBDVRPIVWUAY-NZSAHSFTSA-N 2 2 370.497 1.551 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265448 902310828 /nfs/dbraw/zinc/31/08/28/902310828.db2.gz JWBBDVRPIVWUAY-YTQUADARSA-N 2 2 370.497 1.551 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265448 902310840 /nfs/dbraw/zinc/31/08/40/902310840.db2.gz JWBBDVRPIVWUAY-YTQUADARSA-N 2 2 370.497 1.551 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC000996077554 903096892 /nfs/dbraw/zinc/09/68/92/903096892.db2.gz GONQIGWOSASUGH-FGTMMUONSA-N 2 2 365.518 1.269 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079878094 903601050 /nfs/dbraw/zinc/60/10/50/903601050.db2.gz FRVOMADVIXJNBF-AHRSYUTCSA-N 2 2 350.466 1.592 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079878094 903601052 /nfs/dbraw/zinc/60/10/52/903601052.db2.gz FRVOMADVIXJNBF-AHRSYUTCSA-N 2 2 350.466 1.592 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079878094 903601054 /nfs/dbraw/zinc/60/10/54/903601054.db2.gz FRVOMADVIXJNBF-AHRSYUTCSA-N 2 2 350.466 1.592 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079878094 903601056 /nfs/dbraw/zinc/60/10/56/903601056.db2.gz FRVOMADVIXJNBF-AHRSYUTCSA-N 2 2 350.466 1.592 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691901 904938143 /nfs/dbraw/zinc/93/81/43/904938143.db2.gz XIHAPJJSLSXBON-ZQNRLITLSA-N 2 2 374.460 1.353 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691901 904938150 /nfs/dbraw/zinc/93/81/50/904938150.db2.gz XIHAPJJSLSXBON-ZQNRLITLSA-N 2 2 374.460 1.353 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691901 904938154 /nfs/dbraw/zinc/93/81/54/904938154.db2.gz XIHAPJJSLSXBON-ZQNRLITLSA-N 2 2 374.460 1.353 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691901 904938161 /nfs/dbraw/zinc/93/81/61/904938161.db2.gz XIHAPJJSLSXBON-ZQNRLITLSA-N 2 2 374.460 1.353 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691919 904938781 /nfs/dbraw/zinc/93/87/81/904938781.db2.gz YFIRJISXASEQHW-BASLNEPJSA-N 2 2 362.499 1.275 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691919 904938787 /nfs/dbraw/zinc/93/87/87/904938787.db2.gz YFIRJISXASEQHW-BASLNEPJSA-N 2 2 362.499 1.275 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691919 904938799 /nfs/dbraw/zinc/93/87/99/904938799.db2.gz YFIRJISXASEQHW-BASLNEPJSA-N 2 2 362.499 1.275 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691919 904938802 /nfs/dbraw/zinc/93/88/02/904938802.db2.gz YFIRJISXASEQHW-BASLNEPJSA-N 2 2 362.499 1.275 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082492365 908010727 /nfs/dbraw/zinc/01/07/27/908010727.db2.gz QVNKEFSYMFESGJ-CXAGYDPISA-N 2 2 355.417 1.990 20 30 FDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C)C1=O ZINC001082640576 909264314 /nfs/dbraw/zinc/26/43/14/909264314.db2.gz HIDZRCDGOWAPFS-OWCLPIDISA-N 2 2 367.453 1.171 20 30 FDEDLP C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001065693441 922441306 /nfs/dbraw/zinc/44/13/06/922441306.db2.gz CWXQJCCDJNVNSB-KZNAEPCWSA-N 2 2 362.518 1.038 20 30 FDEDLP C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001065693441 922441328 /nfs/dbraw/zinc/44/13/28/922441328.db2.gz CWXQJCCDJNVNSB-KZNAEPCWSA-N 2 2 362.518 1.038 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ncn1 ZINC001085229991 922984865 /nfs/dbraw/zinc/98/48/65/922984865.db2.gz VGWJLFUTBZDYGN-QRVBRYPASA-N 2 2 355.486 1.400 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ncn1 ZINC001085229991 922984870 /nfs/dbraw/zinc/98/48/70/922984870.db2.gz VGWJLFUTBZDYGN-QRVBRYPASA-N 2 2 355.486 1.400 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986547 930972860 /nfs/dbraw/zinc/97/28/60/930972860.db2.gz ZZLBJZIDMGUDPO-KPEUIFRASA-N 2 2 371.485 1.173 20 30 FDEDLP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986547 930972863 /nfs/dbraw/zinc/97/28/63/930972863.db2.gz ZZLBJZIDMGUDPO-KPEUIFRASA-N 2 2 371.485 1.173 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1n1ccnn1 ZINC001129854970 938528432 /nfs/dbraw/zinc/52/84/32/938528432.db2.gz DQFCZONNWFOJAV-SJORKVTESA-N 2 2 365.441 1.466 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129917052 938553770 /nfs/dbraw/zinc/55/37/70/938553770.db2.gz JJSDXDOZJWWWTO-ZACQAIPSSA-N 2 2 369.473 1.045 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000622 938607763 /nfs/dbraw/zinc/60/77/63/938607763.db2.gz HBKNZROZOKZKNJ-UAGQMJEPSA-N 2 2 369.473 1.429 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130011852 938614437 /nfs/dbraw/zinc/61/44/37/938614437.db2.gz ACGLEIOWUWSTBL-KONPQCLYSA-N 2 2 369.473 1.123 20 30 FDEDLP C#CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000805047839 938651571 /nfs/dbraw/zinc/65/15/71/938651571.db2.gz DDLKAGWLUBSFQG-OALUTQOASA-N 2 2 369.575 1.999 20 30 FDEDLP C#CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000805047839 938651574 /nfs/dbraw/zinc/65/15/74/938651574.db2.gz DDLKAGWLUBSFQG-OALUTQOASA-N 2 2 369.575 1.999 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130712866 939999786 /nfs/dbraw/zinc/99/97/86/939999786.db2.gz OYIGPFASSNENQV-DOTOQJQBSA-N 2 2 370.501 1.971 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001131519302 940688462 /nfs/dbraw/zinc/68/84/62/940688462.db2.gz JTDNTXOKIFKLNQ-NQIIRXRSSA-N 2 2 371.481 1.642 20 30 FDEDLP C[NH+](C)C1CCN(c2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)CC1 ZINC000819466525 943603523 /nfs/dbraw/zinc/60/35/23/943603523.db2.gz XHEZXIMCDIENFC-FQEVSTJZSA-N 2 2 359.518 1.835 20 30 FDEDLP C[NH+](C)C1CCN(c2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)CC1 ZINC000819466525 943603526 /nfs/dbraw/zinc/60/35/26/943603526.db2.gz XHEZXIMCDIENFC-FQEVSTJZSA-N 2 2 359.518 1.835 20 30 FDEDLP COC(=O)c1ccc(C(=[NH2+])Nc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001170984796 944941422 /nfs/dbraw/zinc/94/14/22/944941422.db2.gz GYMJSVZVQMIRMX-UHFFFAOYSA-N 2 2 354.414 1.052 20 30 FDEDLP C#C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000823169192 945549704 /nfs/dbraw/zinc/54/97/04/945549704.db2.gz WULMWSLGFMLGEF-RTBURBONSA-N 2 2 362.518 1.225 20 30 FDEDLP C#C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000823169192 945549713 /nfs/dbraw/zinc/54/97/13/945549713.db2.gz WULMWSLGFMLGEF-RTBURBONSA-N 2 2 362.518 1.225 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccc(OC)cc1 ZINC001090884454 947643009 /nfs/dbraw/zinc/64/30/09/947643009.db2.gz RLKXESRLZSGOHN-RBUKOAKNSA-N 2 2 354.454 1.741 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001110718725 971637003 /nfs/dbraw/zinc/63/70/03/971637003.db2.gz ASKBHJLCBRDQBR-AKHDSKFASA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001110718725 971637009 /nfs/dbraw/zinc/63/70/09/971637009.db2.gz ASKBHJLCBRDQBR-AKHDSKFASA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110718725 971637013 /nfs/dbraw/zinc/63/70/13/971637013.db2.gz ASKBHJLCBRDQBR-AKHDSKFASA-N 2 2 374.529 1.393 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110718725 971637020 /nfs/dbraw/zinc/63/70/20/971637020.db2.gz ASKBHJLCBRDQBR-AKHDSKFASA-N 2 2 374.529 1.393 20 30 FDEDLP C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000847021871 951774790 /nfs/dbraw/zinc/77/47/90/951774790.db2.gz CGOOWWOQRRMJLK-SFHVURJKSA-N 2 2 369.513 1.902 20 30 FDEDLP C#C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000847021871 951774797 /nfs/dbraw/zinc/77/47/97/951774797.db2.gz CGOOWWOQRRMJLK-SFHVURJKSA-N 2 2 369.513 1.902 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1cnn(C)c1 ZINC001086983909 952997894 /nfs/dbraw/zinc/99/78/94/952997894.db2.gz OENHYSONVVNNKJ-ZWKOTPCHSA-N 2 2 370.501 1.820 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001087001334 953054990 /nfs/dbraw/zinc/05/49/90/953054990.db2.gz ORULNOYSBJOLOW-FHLIZLRMSA-N 2 2 356.474 1.482 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001087001334 953054996 /nfs/dbraw/zinc/05/49/96/953054996.db2.gz ORULNOYSBJOLOW-FHLIZLRMSA-N 2 2 356.474 1.482 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C3CC3)o2)C[C@H]1C ZINC001092689945 956198998 /nfs/dbraw/zinc/19/89/98/956198998.db2.gz UAAPCHFLNUIDCF-OIISXLGYSA-N 2 2 371.485 1.229 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C3CC3)o2)C[C@H]1C ZINC001092689945 956199003 /nfs/dbraw/zinc/19/90/03/956199003.db2.gz UAAPCHFLNUIDCF-OIISXLGYSA-N 2 2 371.485 1.229 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnc(C3CC3)o2)C[C@H]1C ZINC001092689945 956199012 /nfs/dbraw/zinc/19/90/12/956199012.db2.gz UAAPCHFLNUIDCF-OIISXLGYSA-N 2 2 371.485 1.229 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnc(C3CC3)o2)C[C@H]1C ZINC001092689945 956199021 /nfs/dbraw/zinc/19/90/21/956199021.db2.gz UAAPCHFLNUIDCF-OIISXLGYSA-N 2 2 371.485 1.229 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)[C@H](C)C1 ZINC001092855126 956697323 /nfs/dbraw/zinc/69/73/23/956697323.db2.gz HHBFCMNWWPNIIM-OLMNPRSZSA-N 2 2 369.937 1.924 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)[C@H](C)C1 ZINC001092855126 956697334 /nfs/dbraw/zinc/69/73/34/956697334.db2.gz HHBFCMNWWPNIIM-OLMNPRSZSA-N 2 2 369.937 1.924 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)[C@H](C)C1 ZINC001092855126 956697335 /nfs/dbraw/zinc/69/73/35/956697335.db2.gz HHBFCMNWWPNIIM-OLMNPRSZSA-N 2 2 369.937 1.924 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)[C@H](C)C1 ZINC001092855126 956697343 /nfs/dbraw/zinc/69/73/43/956697343.db2.gz HHBFCMNWWPNIIM-OLMNPRSZSA-N 2 2 369.937 1.924 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001110142545 957991106 /nfs/dbraw/zinc/99/11/06/957991106.db2.gz GOLPHWQJOUOENG-QYZOEREBSA-N 2 2 370.497 1.386 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001110142545 957991109 /nfs/dbraw/zinc/99/11/09/957991109.db2.gz GOLPHWQJOUOENG-QYZOEREBSA-N 2 2 370.497 1.386 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093448052 958104805 /nfs/dbraw/zinc/10/48/05/958104805.db2.gz CRISGLFOOUGMJC-LFGUQSLTSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001093448052 958104820 /nfs/dbraw/zinc/10/48/20/958104820.db2.gz CRISGLFOOUGMJC-LFGUQSLTSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001093448051 958105030 /nfs/dbraw/zinc/10/50/30/958105030.db2.gz CRISGLFOOUGMJC-JYBIWHBTSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001093448051 958105040 /nfs/dbraw/zinc/10/50/40/958105040.db2.gz CRISGLFOOUGMJC-JYBIWHBTSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093471728 958236008 /nfs/dbraw/zinc/23/60/08/958236008.db2.gz GKKXGFADZWSWRP-HNBVOPMISA-N 2 2 360.502 1.803 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001094166639 959954728 /nfs/dbraw/zinc/95/47/28/959954728.db2.gz IKYIVWNVLCLQRP-RHSMWYFYSA-N 2 2 369.444 1.858 20 30 FDEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H]1CCCO1 ZINC000775789931 972480110 /nfs/dbraw/zinc/48/01/10/972480110.db2.gz FJLPSHKNRQDGQP-YZGWKJHDSA-N 2 2 355.482 1.662 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccnn1C)CC2 ZINC001094437008 960482116 /nfs/dbraw/zinc/48/21/16/960482116.db2.gz LISZTHYPRCLORS-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccnn1C)CC2 ZINC001094437008 960482120 /nfs/dbraw/zinc/48/21/20/960482120.db2.gz LISZTHYPRCLORS-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccnn1C)CC2 ZINC001094437008 960482124 /nfs/dbraw/zinc/48/21/24/960482124.db2.gz LISZTHYPRCLORS-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccnn1C)CC2 ZINC001094437008 960482132 /nfs/dbraw/zinc/48/21/32/960482132.db2.gz LISZTHYPRCLORS-QKNQBKEWSA-N 2 2 369.513 1.379 20 30 FDEDLP C[C@@H](CCCC#N)[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001172493778 961686467 /nfs/dbraw/zinc/68/64/67/961686467.db2.gz CSTYBWRHGIZUCP-FUHWJXTLSA-N 2 2 360.506 1.909 20 30 FDEDLP C[C@@H](CCCC#N)[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001172493778 961686476 /nfs/dbraw/zinc/68/64/76/961686476.db2.gz CSTYBWRHGIZUCP-FUHWJXTLSA-N 2 2 360.506 1.909 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)C1 ZINC001095264207 962708186 /nfs/dbraw/zinc/70/81/86/962708186.db2.gz CEPRSZRCMIXPRZ-YDZRNGNQSA-N 2 2 354.454 1.110 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)C1 ZINC001095264207 962708190 /nfs/dbraw/zinc/70/81/90/962708190.db2.gz CEPRSZRCMIXPRZ-YDZRNGNQSA-N 2 2 354.454 1.110 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001095264207 962708204 /nfs/dbraw/zinc/70/82/04/962708204.db2.gz CEPRSZRCMIXPRZ-YDZRNGNQSA-N 2 2 354.454 1.110 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001095264207 962708219 /nfs/dbraw/zinc/70/82/19/962708219.db2.gz CEPRSZRCMIXPRZ-YDZRNGNQSA-N 2 2 354.454 1.110 20 30 FDEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486615 967868296 /nfs/dbraw/zinc/86/82/96/967868296.db2.gz IQYLPJXCZQGIHQ-VQTJNVASSA-N 2 2 355.482 1.301 20 30 FDEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486615 967868306 /nfs/dbraw/zinc/86/83/06/967868306.db2.gz IQYLPJXCZQGIHQ-VQTJNVASSA-N 2 2 355.482 1.301 20 30 FDEDLP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486615 967868318 /nfs/dbraw/zinc/86/83/18/967868318.db2.gz IQYLPJXCZQGIHQ-VQTJNVASSA-N 2 2 355.482 1.301 20 30 FDEDLP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486615 967868328 /nfs/dbraw/zinc/86/83/28/967868328.db2.gz IQYLPJXCZQGIHQ-VQTJNVASSA-N 2 2 355.482 1.301 20 30 FDEDLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001199104954 973920459 /nfs/dbraw/zinc/92/04/59/973920459.db2.gz XRRJJKRQUMLAPW-QZTJIDSGSA-N 2 2 363.889 1.193 20 30 FDEDLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001199104954 973920461 /nfs/dbraw/zinc/92/04/61/973920461.db2.gz XRRJJKRQUMLAPW-QZTJIDSGSA-N 2 2 363.889 1.193 20 30 FDEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001199104954 973920462 /nfs/dbraw/zinc/92/04/62/973920462.db2.gz XRRJJKRQUMLAPW-QZTJIDSGSA-N 2 2 363.889 1.193 20 30 FDEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001199104954 973920466 /nfs/dbraw/zinc/92/04/66/973920466.db2.gz XRRJJKRQUMLAPW-QZTJIDSGSA-N 2 2 363.889 1.193 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000868653333 977870432 /nfs/dbraw/zinc/87/04/32/977870432.db2.gz SASPZPUCLPGCIV-UHFFFAOYSA-N 2 2 361.515 1.389 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000868653333 977870437 /nfs/dbraw/zinc/87/04/37/977870437.db2.gz SASPZPUCLPGCIV-UHFFFAOYSA-N 2 2 361.515 1.389 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186417 982962235 /nfs/dbraw/zinc/96/22/35/982962235.db2.gz ZHSZTPZFHZYEIS-APWZRJJASA-N 2 2 373.497 1.981 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186417 982962236 /nfs/dbraw/zinc/96/22/36/982962236.db2.gz ZHSZTPZFHZYEIS-APWZRJJASA-N 2 2 373.497 1.981 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362705440 988710562 /nfs/dbraw/zinc/71/05/62/988710562.db2.gz LTPIDGUWBFFQAZ-WBVHZDCISA-N 2 2 356.470 1.610 20 30 FDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362705440 988710572 /nfs/dbraw/zinc/71/05/72/988710572.db2.gz LTPIDGUWBFFQAZ-WBVHZDCISA-N 2 2 356.470 1.610 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374748521 992934808 /nfs/dbraw/zinc/93/48/08/992934808.db2.gz IAMGGDLGGDDTQY-INIZCTEOSA-N 2 2 373.501 1.421 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374748521 992934809 /nfs/dbraw/zinc/93/48/09/992934809.db2.gz IAMGGDLGGDDTQY-INIZCTEOSA-N 2 2 373.501 1.421 20 30 FDEDLP C[N@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000289309323 1000089470 /nfs/dbraw/zinc/08/94/70/1000089470.db2.gz DUPIUZKUJIHWNX-IBGZPJMESA-N 2 2 356.470 1.664 20 30 FDEDLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000289309323 1000089471 /nfs/dbraw/zinc/08/94/71/1000089471.db2.gz DUPIUZKUJIHWNX-IBGZPJMESA-N 2 2 356.470 1.664 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000928655818 1001611778 /nfs/dbraw/zinc/61/17/78/1001611778.db2.gz ZNUSSKWWOCPWPI-UHFFFAOYSA-N 2 2 354.498 1.261 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001111023277 1004761101 /nfs/dbraw/zinc/76/11/01/1004761101.db2.gz BTYQAOXNNIQIMA-SUMDDJOVSA-N 2 2 374.485 1.808 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001111023277 1004761105 /nfs/dbraw/zinc/76/11/05/1004761105.db2.gz BTYQAOXNNIQIMA-SUMDDJOVSA-N 2 2 374.485 1.808 20 30 FDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111036935 1005084812 /nfs/dbraw/zinc/08/48/12/1005084812.db2.gz ARKMYTGTSBSPDD-VQHPVUNQSA-N 2 2 355.910 1.961 20 30 FDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111036935 1005084818 /nfs/dbraw/zinc/08/48/18/1005084818.db2.gz ARKMYTGTSBSPDD-VQHPVUNQSA-N 2 2 355.910 1.961 20 30 FDEDLP C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000303878075 1009646949 /nfs/dbraw/zinc/64/69/49/1009646949.db2.gz IZBMCZKYKJOOMA-KRWDZBQOSA-N 2 2 360.502 1.944 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408121 1012196473 /nfs/dbraw/zinc/19/64/73/1012196473.db2.gz JPYHONFJKDKEGW-KURKYZTESA-N 2 2 360.502 1.004 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408121 1012196487 /nfs/dbraw/zinc/19/64/87/1012196487.db2.gz JPYHONFJKDKEGW-KURKYZTESA-N 2 2 360.502 1.004 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000529369787 539827652 /nfs/dbraw/zinc/82/76/52/539827652.db2.gz YZPOCFMTXMEMME-GOSISDBHSA-N 2 2 353.470 1.670 20 30 FDEDLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000536360139 540584055 /nfs/dbraw/zinc/58/40/55/540584055.db2.gz RUYHBKJUYQDJSO-GOSISDBHSA-N 2 2 352.438 1.824 20 30 FDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000129810948 173151423 /nfs/dbraw/zinc/15/14/23/173151423.db2.gz CZDDGQGTQABDKU-UHFFFAOYSA-N 2 2 354.458 1.678 20 30 FDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000129810948 173151426 /nfs/dbraw/zinc/15/14/26/173151426.db2.gz CZDDGQGTQABDKU-UHFFFAOYSA-N 2 2 354.458 1.678 20 30 FDEDLP CC[NH+]1CCN(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000299683827 259016533 /nfs/dbraw/zinc/01/65/33/259016533.db2.gz RZTBYDJXQIZLBL-UHFFFAOYSA-N 2 2 369.513 1.230 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332072003 259239105 /nfs/dbraw/zinc/23/91/05/259239105.db2.gz WDFLQPKOTQCRIB-UWVAXJGDSA-N 2 2 369.513 1.843 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332072003 259239106 /nfs/dbraw/zinc/23/91/06/259239106.db2.gz WDFLQPKOTQCRIB-UWVAXJGDSA-N 2 2 369.513 1.843 20 30 FDEDLP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332331584 259257952 /nfs/dbraw/zinc/25/79/52/259257952.db2.gz QWDQFOKGXVDSPL-RTBURBONSA-N 2 2 355.486 1.868 20 30 FDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367379303 260032777 /nfs/dbraw/zinc/03/27/77/260032777.db2.gz ZTEZNBVGPWEKIF-OAHLLOKOSA-N 2 2 373.482 1.415 20 30 FDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367379303 260032778 /nfs/dbraw/zinc/03/27/78/260032778.db2.gz ZTEZNBVGPWEKIF-OAHLLOKOSA-N 2 2 373.482 1.415 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000367671589 260075452 /nfs/dbraw/zinc/07/54/52/260075452.db2.gz JXMLKZUZDLGCBU-HXUWFJFHSA-N 2 2 369.513 1.134 20 30 FDEDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000367671589 260075453 /nfs/dbraw/zinc/07/54/53/260075453.db2.gz JXMLKZUZDLGCBU-HXUWFJFHSA-N 2 2 369.513 1.134 20 30 FDEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000047029064 522428801 /nfs/dbraw/zinc/42/88/01/522428801.db2.gz ZGJBVBHVCCTPKO-INIZCTEOSA-N 2 2 352.442 1.671 20 30 FDEDLP C[NH+]1CCC(CNC(=O)Nc2ccn(CCC#N)n2)([NH+]2CCCCC2)CC1 ZINC000173339487 524370678 /nfs/dbraw/zinc/37/06/78/524370678.db2.gz RVCXSDQZKHSGPE-UHFFFAOYSA-N 2 2 373.505 1.869 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158346696 524450271 /nfs/dbraw/zinc/45/02/71/524450271.db2.gz DPLCWPMUEAUNFS-RDJZCZTQSA-N 3 2 355.490 1.661 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158346696 524450277 /nfs/dbraw/zinc/45/02/77/524450277.db2.gz DPLCWPMUEAUNFS-RDJZCZTQSA-N 3 2 355.490 1.661 20 30 FDEDLP CC(C)(CCC#N)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000093562143 524992480 /nfs/dbraw/zinc/99/24/80/524992480.db2.gz YLQIYXDPEBLXRD-UHFFFAOYSA-N 2 2 358.490 1.765 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000180944526 525779073 /nfs/dbraw/zinc/77/90/73/525779073.db2.gz CICCGAOSGVISQU-UHFFFAOYSA-N 2 2 371.529 1.891 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000180944526 525779084 /nfs/dbraw/zinc/77/90/84/525779084.db2.gz CICCGAOSGVISQU-UHFFFAOYSA-N 2 2 371.529 1.891 20 30 FDEDLP CN(CC[N@H+](C)CC(=O)N(CCC#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000180944526 525779096 /nfs/dbraw/zinc/77/90/96/525779096.db2.gz CICCGAOSGVISQU-UHFFFAOYSA-N 2 2 371.529 1.891 20 30 FDEDLP CN(CC[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000180944526 525779105 /nfs/dbraw/zinc/77/91/05/525779105.db2.gz CICCGAOSGVISQU-UHFFFAOYSA-N 2 2 371.529 1.891 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)CC1 ZINC000107369947 525877635 /nfs/dbraw/zinc/87/76/35/525877635.db2.gz RPKJNKQEWSUENT-GOSISDBHSA-N 2 2 361.534 1.383 20 30 FDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)CC1 ZINC000107369947 525877641 /nfs/dbraw/zinc/87/76/41/525877641.db2.gz RPKJNKQEWSUENT-GOSISDBHSA-N 2 2 361.534 1.383 20 30 FDEDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181720690 525905799 /nfs/dbraw/zinc/90/57/99/525905799.db2.gz BGQFNWAEHWJWMP-SFHVURJKSA-N 3 2 355.530 1.748 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133460524 526061916 /nfs/dbraw/zinc/06/19/16/526061916.db2.gz TWFHVDNQVKRCIT-RTBURBONSA-N 2 2 369.513 1.054 20 30 FDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133460524 526061922 /nfs/dbraw/zinc/06/19/22/526061922.db2.gz TWFHVDNQVKRCIT-RTBURBONSA-N 2 2 369.513 1.054 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134180030 526132833 /nfs/dbraw/zinc/13/28/33/526132833.db2.gz QHMUKBQPIVVJRU-INIZCTEOSA-N 2 2 358.490 1.254 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000284559559 537432168 /nfs/dbraw/zinc/43/21/68/537432168.db2.gz UCDWCIDMDOEMEL-UHFFFAOYSA-N 2 2 371.485 1.065 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274850724 537532854 /nfs/dbraw/zinc/53/28/54/537532854.db2.gz QWCOQUAIVAKXKM-BQFCYCMXSA-N 2 2 358.486 1.887 20 30 FDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274850724 537532858 /nfs/dbraw/zinc/53/28/58/537532858.db2.gz QWCOQUAIVAKXKM-BQFCYCMXSA-N 2 2 358.486 1.887 20 30 FDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000442862994 538381258 /nfs/dbraw/zinc/38/12/58/538381258.db2.gz WKJUNHNBJNCTTM-IXDOHACOSA-N 2 2 356.474 1.564 20 30 FDEDLP CC[NH+]1CCC([NH+]2CCC(C(=O)N=c3ccn(CCC#N)[nH]3)CC2)CC1 ZINC000561248192 545770084 /nfs/dbraw/zinc/77/00/84/545770084.db2.gz HFNDDXKXRFYPTB-UHFFFAOYSA-N 2 2 358.490 1.932 20 30 FDEDLP CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000563365241 546502827 /nfs/dbraw/zinc/50/28/27/546502827.db2.gz LFIZSFSBPMFVIQ-APWZRJJASA-N 2 2 358.486 1.805 20 30 FDEDLP CC[C@H](CC#N)[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000563365268 546502977 /nfs/dbraw/zinc/50/29/77/546502977.db2.gz LFIZSFSBPMFVIQ-VQIMIIECSA-N 2 2 358.486 1.805 20 30 FDEDLP CN(CCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)CC[NH+](C)C ZINC000569386088 548900183 /nfs/dbraw/zinc/90/01/83/548900183.db2.gz RAULRYPLSLIKAI-UHFFFAOYSA-N 2 2 356.474 1.924 20 30 FDEDLP CN(CCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)CC[NH+](C)C ZINC000569386088 548900185 /nfs/dbraw/zinc/90/01/85/548900185.db2.gz RAULRYPLSLIKAI-UHFFFAOYSA-N 2 2 356.474 1.924 20 30 FDEDLP C[C@@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[NH+]1CCCCC1 ZINC000569569002 548964235 /nfs/dbraw/zinc/96/42/35/548964235.db2.gz NZESIHJEKZHNNM-HNNXBMFYSA-N 2 2 350.488 1.581 20 30 FDEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570786056 549409902 /nfs/dbraw/zinc/40/99/02/549409902.db2.gz WSUOQPDSBYITPH-VQIMIIECSA-N 2 2 355.486 1.774 20 30 FDEDLP C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000592513104 552004026 /nfs/dbraw/zinc/00/40/26/552004026.db2.gz WGSDEMGSKGHYHR-SFHVURJKSA-N 2 2 353.474 1.201 20 30 FDEDLP C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000592513104 552004027 /nfs/dbraw/zinc/00/40/27/552004027.db2.gz WGSDEMGSKGHYHR-SFHVURJKSA-N 2 2 353.474 1.201 20 30 FDEDLP CN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000592513104 552004028 /nfs/dbraw/zinc/00/40/28/552004028.db2.gz WGSDEMGSKGHYHR-SFHVURJKSA-N 2 2 353.474 1.201 20 30 FDEDLP CN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000592513104 552004029 /nfs/dbraw/zinc/00/40/29/552004029.db2.gz WGSDEMGSKGHYHR-SFHVURJKSA-N 2 2 353.474 1.201 20 30 FDEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000593323317 552089539 /nfs/dbraw/zinc/08/95/39/552089539.db2.gz UDHNNOZSLXJKBT-LJQANCHMSA-N 3 2 369.513 1.310 20 30 FDEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000593986837 552234779 /nfs/dbraw/zinc/23/47/79/552234779.db2.gz IGMMUGHNDUXOMZ-MRXNPFEDSA-N 2 2 365.449 1.480 20 30 FDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000593986837 552234780 /nfs/dbraw/zinc/23/47/80/552234780.db2.gz IGMMUGHNDUXOMZ-MRXNPFEDSA-N 2 2 365.449 1.480 20 30 FDEDLP N#CC1(c2ccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cc2)CC1 ZINC000594922058 552424013 /nfs/dbraw/zinc/42/40/13/552424013.db2.gz IAHUPOVKKHKFGO-FQEVSTJZSA-N 2 2 354.498 1.738 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470730 552568000 /nfs/dbraw/zinc/56/80/00/552568000.db2.gz QYSCZWJGDZDDOJ-VQTJNVASSA-N 2 2 373.497 1.679 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470730 552568003 /nfs/dbraw/zinc/56/80/03/552568003.db2.gz QYSCZWJGDZDDOJ-VQTJNVASSA-N 2 2 373.497 1.679 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000597990491 552853218 /nfs/dbraw/zinc/85/32/18/552853218.db2.gz XEKWLSGEFDRTPW-IBGZPJMESA-N 2 2 357.502 1.527 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000597990491 552853219 /nfs/dbraw/zinc/85/32/19/552853219.db2.gz XEKWLSGEFDRTPW-IBGZPJMESA-N 2 2 357.502 1.527 20 30 FDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)c2cc1C ZINC000602858605 553652634 /nfs/dbraw/zinc/65/26/34/553652634.db2.gz TXACLVYWSJWLRE-OKZBNKHCSA-N 2 2 355.486 1.932 20 30 FDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000611392685 554630394 /nfs/dbraw/zinc/63/03/94/554630394.db2.gz CXERRGVNURSMHF-PZJWPPBQSA-N 2 2 354.498 1.932 20 30 FDEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000611392684 554630407 /nfs/dbraw/zinc/63/04/07/554630407.db2.gz CXERRGVNURSMHF-FPOVZHCZSA-N 2 2 354.498 1.932 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC(OC(C)(C)C)CC1 ZINC000261746741 672663903 /nfs/dbraw/zinc/66/39/03/672663903.db2.gz LKRMRDAWBPDXLS-UHFFFAOYSA-N 2 2 350.511 1.841 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303783083 676543068 /nfs/dbraw/zinc/54/30/68/676543068.db2.gz NWEKLCLDWZQHAW-KRWDZBQOSA-N 3 2 351.539 1.410 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303783083 676543071 /nfs/dbraw/zinc/54/30/71/676543071.db2.gz NWEKLCLDWZQHAW-KRWDZBQOSA-N 3 2 351.539 1.410 20 30 FDEDLP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCOC2)O1 ZINC000330085686 676671881 /nfs/dbraw/zinc/67/18/81/676671881.db2.gz CZUHVENYMYFZMG-MJGOQNOKSA-N 2 2 351.491 1.840 20 30 FDEDLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCOC2)O1 ZINC000330085686 676671884 /nfs/dbraw/zinc/67/18/84/676671884.db2.gz CZUHVENYMYFZMG-MJGOQNOKSA-N 2 2 351.491 1.840 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970013271 771199594 /nfs/dbraw/zinc/19/95/94/771199594.db2.gz RXZMHVVSAQSSJV-JHJVBQTASA-N 2 2 353.264 1.623 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274862 772715918 /nfs/dbraw/zinc/71/59/18/772715918.db2.gz YKVFPRKPMCPPPF-OWCLPIDISA-N 2 2 361.490 1.107 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274862 772715919 /nfs/dbraw/zinc/71/59/19/772715919.db2.gz YKVFPRKPMCPPPF-OWCLPIDISA-N 2 2 361.490 1.107 20 30 FDEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352104 776603061 /nfs/dbraw/zinc/60/30/61/776603061.db2.gz CCMLOFCGNUQNCP-HUUCEWRRSA-N 2 2 369.469 1.553 20 30 FDEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024571603 785295672 /nfs/dbraw/zinc/29/56/72/785295672.db2.gz HPEHUQWDOMETMB-KSZLIROESA-N 2 2 351.491 1.023 20 30 FDEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024571603 785295679 /nfs/dbraw/zinc/29/56/79/785295679.db2.gz HPEHUQWDOMETMB-KSZLIROESA-N 2 2 351.491 1.023 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001083275765 787190946 /nfs/dbraw/zinc/19/09/46/787190946.db2.gz VIYHGCVCFYOYMF-RBUKOAKNSA-N 2 2 354.454 1.066 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001083275765 787190950 /nfs/dbraw/zinc/19/09/50/787190950.db2.gz VIYHGCVCFYOYMF-RBUKOAKNSA-N 2 2 354.454 1.066 20 30 FDEDLP C=CCCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345028 788514122 /nfs/dbraw/zinc/51/41/22/788514122.db2.gz RLFCBDGGSMESPR-KRWDZBQOSA-N 2 2 350.507 1.038 20 30 FDEDLP C=CCCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345028 788514131 /nfs/dbraw/zinc/51/41/31/788514131.db2.gz RLFCBDGGSMESPR-KRWDZBQOSA-N 2 2 350.507 1.038 20 30 FDEDLP C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261963422 811355023 /nfs/dbraw/zinc/35/50/23/811355023.db2.gz KVGKBIFXIMLLBK-HUUCEWRRSA-N 2 2 356.478 1.469 20 30 FDEDLP C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262027171 811370489 /nfs/dbraw/zinc/37/04/89/811370489.db2.gz ZZTLGUZMPLEUCA-DZGCQCFKSA-N 2 2 360.422 1.146 20 30 FDEDLP N#Cc1ccc(N[C@@H]2CCn3cc[nH+]c3C2)nc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000436324842 816424586 /nfs/dbraw/zinc/42/45/86/816424586.db2.gz YAMFOFHTPBAGJS-CVEARBPZSA-N 2 2 374.452 2.200 20 30 FDEDLP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087475972 818349323 /nfs/dbraw/zinc/34/93/23/818349323.db2.gz MADBMSNXXWBMAT-YYWHXJBOSA-N 2 2 369.509 1.944 20 30 FDEDLP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087475972 818349331 /nfs/dbraw/zinc/34/93/31/818349331.db2.gz MADBMSNXXWBMAT-YYWHXJBOSA-N 2 2 369.509 1.944 20 30 FDEDLP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001087475972 818349337 /nfs/dbraw/zinc/34/93/37/818349337.db2.gz MADBMSNXXWBMAT-YYWHXJBOSA-N 2 2 369.509 1.944 20 30 FDEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCCN(O)C2=O)CC1 ZINC000895158467 821194850 /nfs/dbraw/zinc/19/48/50/821194850.db2.gz JRXDUBHBGMITLX-OAHLLOKOSA-N 2 2 352.866 1.562 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H]1CC ZINC001087606982 821713301 /nfs/dbraw/zinc/71/33/01/821713301.db2.gz DHPNYPYMVGJKAE-OTWHNJEPSA-N 2 2 357.502 1.029 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cnn(C)c2)[C@@H]1CC ZINC001087606982 821713304 /nfs/dbraw/zinc/71/33/04/821713304.db2.gz DHPNYPYMVGJKAE-OTWHNJEPSA-N 2 2 357.502 1.029 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)[C@@H]1CC ZINC001087606982 821713307 /nfs/dbraw/zinc/71/33/07/821713307.db2.gz DHPNYPYMVGJKAE-OTWHNJEPSA-N 2 2 357.502 1.029 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)[C@@H]1CC ZINC001087606982 821713311 /nfs/dbraw/zinc/71/33/11/821713311.db2.gz DHPNYPYMVGJKAE-OTWHNJEPSA-N 2 2 357.502 1.029 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)nc[nH+]1 ZINC000329305828 824725307 /nfs/dbraw/zinc/72/53/07/824725307.db2.gz YLIDQWFYVKFRHG-XHSDSOJGSA-N 2 2 373.505 1.427 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)nc[nH+]1 ZINC000329305828 824725310 /nfs/dbraw/zinc/72/53/10/824725310.db2.gz YLIDQWFYVKFRHG-XHSDSOJGSA-N 2 2 373.505 1.427 20 30 FDEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[nH+]cn1 ZINC000329305828 824725318 /nfs/dbraw/zinc/72/53/18/824725318.db2.gz YLIDQWFYVKFRHG-XHSDSOJGSA-N 2 2 373.505 1.427 20 30 FDEDLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000329318528 824731960 /nfs/dbraw/zinc/73/19/60/824731960.db2.gz SUFVISGMISZDLS-INIZCTEOSA-N 2 2 365.522 1.013 20 30 FDEDLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329318528 824731978 /nfs/dbraw/zinc/73/19/78/824731978.db2.gz SUFVISGMISZDLS-INIZCTEOSA-N 2 2 365.522 1.013 20 30 FDEDLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329318528 824731985 /nfs/dbraw/zinc/73/19/85/824731985.db2.gz SUFVISGMISZDLS-INIZCTEOSA-N 2 2 365.522 1.013 20 30 FDEDLP C[NH+]1CCC(CNC(=O)CN2CCC(=O)NC2=O)([NH+]2CCCCC2)CC1 ZINC000329604095 824945709 /nfs/dbraw/zinc/94/57/09/824945709.db2.gz LPNDRXYQQOETAF-UHFFFAOYSA-N 2 2 365.478 1.675 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994209 825003689 /nfs/dbraw/zinc/00/36/89/825003689.db2.gz WXTMNEORZQLPKA-IXDOHACOSA-N 2 2 365.909 1.346 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994209 825003700 /nfs/dbraw/zinc/00/37/00/825003700.db2.gz WXTMNEORZQLPKA-IXDOHACOSA-N 2 2 365.909 1.346 20 30 FDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053596 825643949 /nfs/dbraw/zinc/64/39/49/825643949.db2.gz PMQLNAVKJRZYEI-HSALFYBXSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053596 825643955 /nfs/dbraw/zinc/64/39/55/825643955.db2.gz PMQLNAVKJRZYEI-HSALFYBXSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053596 825643962 /nfs/dbraw/zinc/64/39/62/825643962.db2.gz PMQLNAVKJRZYEI-HSALFYBXSA-N 2 2 361.530 1.844 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053596 825643972 /nfs/dbraw/zinc/64/39/72/825643972.db2.gz PMQLNAVKJRZYEI-HSALFYBXSA-N 2 2 361.530 1.844 20 30 FDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262487688 827424855 /nfs/dbraw/zinc/42/48/55/827424855.db2.gz TWHVIKCRZPEBRW-SFHVURJKSA-N 3 2 358.534 1.898 20 30 FDEDLP C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105666701 843293426 /nfs/dbraw/zinc/29/34/26/843293426.db2.gz ILTYPMHQKBOYON-YAJHFMINSA-N 2 2 360.502 1.885 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673554 845402214 /nfs/dbraw/zinc/40/22/14/845402214.db2.gz MYHJCBIHACEGFX-HNBVOPMISA-N 2 2 358.486 1.263 20 30 FDEDLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088815126 845642905 /nfs/dbraw/zinc/64/29/05/845642905.db2.gz ZHOIQDAUDIIQFX-HLAWJBBLSA-N 2 2 369.509 1.726 20 30 FDEDLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088815126 845642909 /nfs/dbraw/zinc/64/29/09/845642909.db2.gz ZHOIQDAUDIIQFX-HLAWJBBLSA-N 2 2 369.509 1.726 20 30 FDEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088815126 845642913 /nfs/dbraw/zinc/64/29/13/845642913.db2.gz ZHOIQDAUDIIQFX-HLAWJBBLSA-N 2 2 369.509 1.726 20 30 FDEDLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088815126 845642918 /nfs/dbraw/zinc/64/29/18/845642918.db2.gz ZHOIQDAUDIIQFX-HLAWJBBLSA-N 2 2 369.509 1.726 20 30 FDEDLP N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001076574291 848448821 /nfs/dbraw/zinc/44/88/21/848448821.db2.gz CYSACFXEESXGFS-QFBILLFUSA-N 2 2 356.445 1.826 20 30 FDEDLP N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001076574291 848448823 /nfs/dbraw/zinc/44/88/23/848448823.db2.gz CYSACFXEESXGFS-QFBILLFUSA-N 2 2 356.445 1.826 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076986331 849479291 /nfs/dbraw/zinc/47/92/91/849479291.db2.gz ULKOEDMWIABVQC-CEXWTWQISA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076986331 849479301 /nfs/dbraw/zinc/47/93/01/849479301.db2.gz ULKOEDMWIABVQC-CEXWTWQISA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076986331 849479307 /nfs/dbraw/zinc/47/93/07/849479307.db2.gz ULKOEDMWIABVQC-CEXWTWQISA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076986331 849479309 /nfs/dbraw/zinc/47/93/09/849479309.db2.gz ULKOEDMWIABVQC-CEXWTWQISA-N 2 2 356.470 1.092 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106829794 879224598 /nfs/dbraw/zinc/22/45/98/879224598.db2.gz FARZQQDRALGMTN-IAGOWNOFSA-N 2 2 367.453 1.215 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129060897 885631319 /nfs/dbraw/zinc/63/13/19/885631319.db2.gz WSMJJDMECZTSEG-SRABZTEZSA-N 2 2 355.446 1.113 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129060897 885631356 /nfs/dbraw/zinc/63/13/56/885631356.db2.gz WSMJJDMECZTSEG-SRABZTEZSA-N 2 2 355.446 1.113 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000672357443 893198029 /nfs/dbraw/zinc/19/80/29/893198029.db2.gz ULIJDGWRQRLMQS-QGZVFWFLSA-N 2 2 359.474 1.203 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079129761 901936282 /nfs/dbraw/zinc/93/62/82/901936282.db2.gz FPATVWGQEQKTIB-VAMGGRTRSA-N 2 2 357.498 1.731 20 30 FDEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079129761 901936291 /nfs/dbraw/zinc/93/62/91/901936291.db2.gz FPATVWGQEQKTIB-VAMGGRTRSA-N 2 2 357.498 1.731 20 30 FDEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129761 901936297 /nfs/dbraw/zinc/93/62/97/901936297.db2.gz FPATVWGQEQKTIB-VAMGGRTRSA-N 2 2 357.498 1.731 20 30 FDEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129761 901936305 /nfs/dbraw/zinc/93/63/05/901936305.db2.gz FPATVWGQEQKTIB-VAMGGRTRSA-N 2 2 357.498 1.731 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cccc(F)c1 ZINC001079188589 902136724 /nfs/dbraw/zinc/13/67/24/902136724.db2.gz HGQJASASMWUXKF-LSTHTHJFSA-N 2 2 366.440 1.802 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079253771 902277404 /nfs/dbraw/zinc/27/74/04/902277404.db2.gz FKUAVUHBJDBOPE-ZWKOTPCHSA-N 2 2 370.497 1.315 20 30 FDEDLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C1CC1 ZINC001084406770 914629209 /nfs/dbraw/zinc/62/92/09/914629209.db2.gz YMTJBWBNRAZBMJ-AQNXPRMDSA-N 2 2 352.482 1.931 20 30 FDEDLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C1CC1 ZINC001084406770 914629216 /nfs/dbraw/zinc/62/92/16/914629216.db2.gz YMTJBWBNRAZBMJ-AQNXPRMDSA-N 2 2 352.482 1.931 20 30 FDEDLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cc1C#N ZINC001079967323 903742419 /nfs/dbraw/zinc/74/24/19/903742419.db2.gz FEGKAFFGBSPHIB-ATZDWAIDSA-N 2 2 370.497 1.988 20 30 FDEDLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cc1C#N ZINC001079967323 903742432 /nfs/dbraw/zinc/74/24/32/903742432.db2.gz FEGKAFFGBSPHIB-ATZDWAIDSA-N 2 2 370.497 1.988 20 30 FDEDLP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1C#N ZINC001079967323 903742443 /nfs/dbraw/zinc/74/24/43/903742443.db2.gz FEGKAFFGBSPHIB-ATZDWAIDSA-N 2 2 370.497 1.988 20 30 FDEDLP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cc1C#N ZINC001079967323 903742450 /nfs/dbraw/zinc/74/24/50/903742450.db2.gz FEGKAFFGBSPHIB-ATZDWAIDSA-N 2 2 370.497 1.988 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080011536 903894751 /nfs/dbraw/zinc/89/47/51/903894751.db2.gz CMAYMLWSEHGKPZ-AUUYWEPGSA-N 2 2 367.453 1.858 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080011536 903894757 /nfs/dbraw/zinc/89/47/57/903894757.db2.gz CMAYMLWSEHGKPZ-AUUYWEPGSA-N 2 2 367.453 1.858 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001107541546 905456731 /nfs/dbraw/zinc/45/67/31/905456731.db2.gz CDFMDJMLZKBCGQ-YRISNDGFSA-N 2 2 370.497 1.840 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001107541546 905456743 /nfs/dbraw/zinc/45/67/43/905456743.db2.gz CDFMDJMLZKBCGQ-YRISNDGFSA-N 2 2 370.497 1.840 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082134972 905940133 /nfs/dbraw/zinc/94/01/33/905940133.db2.gz KBCZUJOEBCWZAX-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082134972 905940138 /nfs/dbraw/zinc/94/01/38/905940138.db2.gz KBCZUJOEBCWZAX-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082134972 905940147 /nfs/dbraw/zinc/94/01/47/905940147.db2.gz KBCZUJOEBCWZAX-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082134972 905940149 /nfs/dbraw/zinc/94/01/49/905940149.db2.gz KBCZUJOEBCWZAX-KFKAGJAMSA-N 2 2 356.470 1.215 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622822 906023919 /nfs/dbraw/zinc/02/39/19/906023919.db2.gz AOXPSSGTKIRQLZ-UYAOXDASSA-N 2 2 358.486 1.363 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622822 906023931 /nfs/dbraw/zinc/02/39/31/906023931.db2.gz AOXPSSGTKIRQLZ-UYAOXDASSA-N 2 2 358.486 1.363 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]2C)CC1 ZINC001080998148 906975636 /nfs/dbraw/zinc/97/56/36/906975636.db2.gz VAFKLGFFALSELG-CRAIPNDOSA-N 2 2 355.486 1.067 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]2C)CC1 ZINC001080998148 906975639 /nfs/dbraw/zinc/97/56/39/906975639.db2.gz VAFKLGFFALSELG-CRAIPNDOSA-N 2 2 355.486 1.067 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371425 907239755 /nfs/dbraw/zinc/23/97/55/907239755.db2.gz IOEDHGDVLFMQNW-HZPDHXFCSA-N 2 2 359.455 1.140 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371425 907239772 /nfs/dbraw/zinc/23/97/72/907239772.db2.gz IOEDHGDVLFMQNW-HZPDHXFCSA-N 2 2 359.455 1.140 20 30 FDEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001082384567 907390732 /nfs/dbraw/zinc/39/07/32/907390732.db2.gz CJBBGAHGHWQEJP-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001082384567 907390756 /nfs/dbraw/zinc/39/07/56/907390756.db2.gz CJBBGAHGHWQEJP-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001082384567 907390774 /nfs/dbraw/zinc/39/07/74/907390774.db2.gz CJBBGAHGHWQEJP-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001082384567 907390804 /nfs/dbraw/zinc/39/08/04/907390804.db2.gz CJBBGAHGHWQEJP-HSALFYBXSA-N 2 2 370.497 1.748 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001082568072 908706837 /nfs/dbraw/zinc/70/68/37/908706837.db2.gz VZPTYLLDKLCMBV-ZMYBRWDISA-N 2 2 361.436 1.999 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001082568072 908706846 /nfs/dbraw/zinc/70/68/46/908706846.db2.gz VZPTYLLDKLCMBV-ZMYBRWDISA-N 2 2 361.436 1.999 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc3c(o2)CCCC3)C1 ZINC001082568841 908713639 /nfs/dbraw/zinc/71/36/39/908713639.db2.gz VCERZFDRRAYPNU-NXHRZFHOSA-N 2 2 370.497 1.588 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc3c(o2)CCCC3)C1 ZINC001082568841 908713650 /nfs/dbraw/zinc/71/36/50/908713650.db2.gz VCERZFDRRAYPNU-NXHRZFHOSA-N 2 2 370.497 1.588 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082603972 908921773 /nfs/dbraw/zinc/92/17/73/908921773.db2.gz XELGEPPNZZLEFD-AYOQOUSVSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084662453 915921385 /nfs/dbraw/zinc/92/13/85/915921385.db2.gz KODHKBNJTQKIOS-NSISKUIASA-N 2 2 352.482 1.933 20 30 FDEDLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084662453 915921389 /nfs/dbraw/zinc/92/13/89/915921389.db2.gz KODHKBNJTQKIOS-NSISKUIASA-N 2 2 352.482 1.933 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084662453 915921391 /nfs/dbraw/zinc/92/13/91/915921391.db2.gz KODHKBNJTQKIOS-NSISKUIASA-N 2 2 352.482 1.933 20 30 FDEDLP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084662453 915921396 /nfs/dbraw/zinc/92/13/96/915921396.db2.gz KODHKBNJTQKIOS-NSISKUIASA-N 2 2 352.482 1.933 20 30 FDEDLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C ZINC001084667756 915959119 /nfs/dbraw/zinc/95/91/19/915959119.db2.gz WNVJXACDVBBUEZ-NZSAHSFTSA-N 2 2 370.497 1.940 20 30 FDEDLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C ZINC001084667756 915959121 /nfs/dbraw/zinc/95/91/21/915959121.db2.gz WNVJXACDVBBUEZ-NZSAHSFTSA-N 2 2 370.497 1.940 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(F)(F)F)[C@H]2C1 ZINC001084960938 918905113 /nfs/dbraw/zinc/90/51/13/918905113.db2.gz AGQFOLSBSOCTIR-PMPSAXMXSA-N 2 2 357.420 1.959 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(F)(F)F)[C@H]2C1 ZINC001084960938 918905121 /nfs/dbraw/zinc/90/51/21/918905121.db2.gz AGQFOLSBSOCTIR-PMPSAXMXSA-N 2 2 357.420 1.959 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(F)(F)F)[C@H]2C1 ZINC001084960938 918905127 /nfs/dbraw/zinc/90/51/27/918905127.db2.gz AGQFOLSBSOCTIR-PMPSAXMXSA-N 2 2 357.420 1.959 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(F)(F)F)[C@H]2C1 ZINC001084960938 918905130 /nfs/dbraw/zinc/90/51/30/918905130.db2.gz AGQFOLSBSOCTIR-PMPSAXMXSA-N 2 2 357.420 1.959 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(C)nc3)[C@H]2C1 ZINC001084961121 918906916 /nfs/dbraw/zinc/90/69/16/918906916.db2.gz MALQJHPETRIJSB-AABGKKOBSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(C)nc3)[C@H]2C1 ZINC001084961121 918906921 /nfs/dbraw/zinc/90/69/21/918906921.db2.gz MALQJHPETRIJSB-AABGKKOBSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnc(C)nc3)[C@H]2C1 ZINC001084961121 918906925 /nfs/dbraw/zinc/90/69/25/918906925.db2.gz MALQJHPETRIJSB-AABGKKOBSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cnc(C)nc3)[C@H]2C1 ZINC001084961121 918906927 /nfs/dbraw/zinc/90/69/27/918906927.db2.gz MALQJHPETRIJSB-AABGKKOBSA-N 2 2 367.497 1.305 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3c(C)noc3C)[C@H]2C1 ZINC001084961292 918909684 /nfs/dbraw/zinc/90/96/84/918909684.db2.gz ZHGLMHIHFZKPCB-HOJAQTOUSA-N 2 2 370.497 1.812 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3c(C)noc3C)[C@H]2C1 ZINC001084961292 918909685 /nfs/dbraw/zinc/90/96/85/918909685.db2.gz ZHGLMHIHFZKPCB-HOJAQTOUSA-N 2 2 370.497 1.812 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3c(C)noc3C)[C@H]2C1 ZINC001084961292 918909690 /nfs/dbraw/zinc/90/96/90/918909690.db2.gz ZHGLMHIHFZKPCB-HOJAQTOUSA-N 2 2 370.497 1.812 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3c(C)noc3C)[C@H]2C1 ZINC001084961292 918909698 /nfs/dbraw/zinc/90/96/98/918909698.db2.gz ZHGLMHIHFZKPCB-HOJAQTOUSA-N 2 2 370.497 1.812 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1CC ZINC001085229861 922983152 /nfs/dbraw/zinc/98/31/52/922983152.db2.gz NTRRQJHOGRLXPJ-KURKYZTESA-N 2 2 357.502 1.518 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1CC ZINC001085229861 922983157 /nfs/dbraw/zinc/98/31/57/922983157.db2.gz NTRRQJHOGRLXPJ-KURKYZTESA-N 2 2 357.502 1.518 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001085394432 924425345 /nfs/dbraw/zinc/42/53/45/924425345.db2.gz LCGXYFXFQZURSX-ZIAGYGMSSA-N 2 2 355.280 1.888 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131079873 940487354 /nfs/dbraw/zinc/48/73/54/940487354.db2.gz YVPDYJMOAQAXRH-BRWVUGGUSA-N 2 2 356.474 1.728 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131076188 940491151 /nfs/dbraw/zinc/49/11/51/940491151.db2.gz IBJSESLGUDGZNI-QBPKDAKJSA-N 2 2 368.485 1.417 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131117650 940504436 /nfs/dbraw/zinc/50/44/36/940504436.db2.gz JJJIWKALVWMTTH-QZTJIDSGSA-N 2 2 370.501 1.637 20 30 FDEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001131562541 940736478 /nfs/dbraw/zinc/73/64/78/940736478.db2.gz YASLVMQDZYAZNI-HQRMLTQVSA-N 2 2 370.497 1.839 20 30 FDEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cn1 ZINC000818968118 943385638 /nfs/dbraw/zinc/38/56/38/943385638.db2.gz LIVWHTMIYYEJLM-GOSISDBHSA-N 2 2 363.421 1.977 20 30 FDEDLP COC(=O)c1ccc(C(=[NH2+])Nc2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)cc1 ZINC001170989445 945041756 /nfs/dbraw/zinc/04/17/56/945041756.db2.gz WJRBRCQMYUUAIT-AWEZNQCLSA-N 2 2 364.409 1.630 20 30 FDEDLP C#C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000823169190 945550093 /nfs/dbraw/zinc/55/00/93/945550093.db2.gz WULMWSLGFMLGEF-OALUTQOASA-N 2 2 362.518 1.225 20 30 FDEDLP C#C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000823169190 945550102 /nfs/dbraw/zinc/55/01/02/945550102.db2.gz WULMWSLGFMLGEF-OALUTQOASA-N 2 2 362.518 1.225 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001171067478 946799992 /nfs/dbraw/zinc/79/99/92/946799992.db2.gz GUVRTUUWZDAIDV-HNNXBMFYSA-N 3 2 362.478 1.043 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000775688666 971512148 /nfs/dbraw/zinc/51/21/48/971512148.db2.gz IMXVZUKJLROPBV-CTNGQTDRSA-N 2 2 368.525 1.264 20 30 FDEDLP C#CCN1CCN(C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000775688666 971512155 /nfs/dbraw/zinc/51/21/55/971512155.db2.gz IMXVZUKJLROPBV-CTNGQTDRSA-N 2 2 368.525 1.264 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001086984911 952999867 /nfs/dbraw/zinc/99/98/67/952999867.db2.gz JSKBSMPLXWORFQ-AYOQOUSVSA-N 2 2 368.485 1.339 20 30 FDEDLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087094098 953260771 /nfs/dbraw/zinc/26/07/71/953260771.db2.gz RCOOMZZQSMEDIV-QZTJIDSGSA-N 2 2 367.453 1.477 20 30 FDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883830 953521364 /nfs/dbraw/zinc/52/13/64/953521364.db2.gz YOWVIOFREPQURC-DYXWJJEUSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883830 953521366 /nfs/dbraw/zinc/52/13/66/953521366.db2.gz YOWVIOFREPQURC-DYXWJJEUSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883830 953521369 /nfs/dbraw/zinc/52/13/69/953521369.db2.gz YOWVIOFREPQURC-DYXWJJEUSA-N 2 2 359.514 1.291 20 30 FDEDLP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883830 953521375 /nfs/dbraw/zinc/52/13/75/953521375.db2.gz YOWVIOFREPQURC-DYXWJJEUSA-N 2 2 359.514 1.291 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1 ZINC001092200258 954521961 /nfs/dbraw/zinc/52/19/61/954521961.db2.gz GSFHBSDGDZEHHI-KUHUBIRLSA-N 2 2 369.494 1.876 20 30 FDEDLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1 ZINC001092200258 954521974 /nfs/dbraw/zinc/52/19/74/954521974.db2.gz GSFHBSDGDZEHHI-KUHUBIRLSA-N 2 2 369.494 1.876 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=C)Br)C[C@H]1C ZINC001092689602 956196061 /nfs/dbraw/zinc/19/60/61/956196061.db2.gz NZEYZCXYNHMBGN-BMFZPTHFSA-N 2 2 368.319 1.677 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=C)Br)C[C@H]1C ZINC001092689602 956196069 /nfs/dbraw/zinc/19/60/69/956196069.db2.gz NZEYZCXYNHMBGN-BMFZPTHFSA-N 2 2 368.319 1.677 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=C)Br)C[C@H]1C ZINC001092689602 956196073 /nfs/dbraw/zinc/19/60/73/956196073.db2.gz NZEYZCXYNHMBGN-BMFZPTHFSA-N 2 2 368.319 1.677 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=C)Br)C[C@H]1C ZINC001092689602 956196079 /nfs/dbraw/zinc/19/60/79/956196079.db2.gz NZEYZCXYNHMBGN-BMFZPTHFSA-N 2 2 368.319 1.677 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]2C)CC1 ZINC001093224324 957854268 /nfs/dbraw/zinc/85/42/68/957854268.db2.gz QIZAJQYHDGOBLQ-GDBMZVCRSA-N 2 2 361.515 1.067 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]2C)CC1 ZINC001093224324 957854279 /nfs/dbraw/zinc/85/42/79/957854279.db2.gz QIZAJQYHDGOBLQ-GDBMZVCRSA-N 2 2 361.515 1.067 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001093479499 958299250 /nfs/dbraw/zinc/29/92/50/958299250.db2.gz KHFAOQBTWRMHKN-JOCBIADPSA-N 2 2 366.893 1.602 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001094166858 959956530 /nfs/dbraw/zinc/95/65/30/959956530.db2.gz PNTIJIDMEFBXCF-ZIAGYGMSSA-N 2 2 357.483 1.780 20 30 FDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171878401 961337306 /nfs/dbraw/zinc/33/73/06/961337306.db2.gz JZVZWWMTVKBOME-KSZLIROESA-N 2 2 353.507 1.317 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001188382217 966251072 /nfs/dbraw/zinc/25/10/72/966251072.db2.gz HOSAPGMIWGPSGT-TXPKVOOTSA-N 2 2 358.486 1.558 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001188382217 966251080 /nfs/dbraw/zinc/25/10/80/966251080.db2.gz HOSAPGMIWGPSGT-TXPKVOOTSA-N 2 2 358.486 1.558 20 30 FDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001188382217 966251089 /nfs/dbraw/zinc/25/10/89/966251089.db2.gz HOSAPGMIWGPSGT-TXPKVOOTSA-N 2 2 358.486 1.558 20 30 FDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001188382217 966251095 /nfs/dbraw/zinc/25/10/95/966251095.db2.gz HOSAPGMIWGPSGT-TXPKVOOTSA-N 2 2 358.486 1.558 20 30 FDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194243748 970068601 /nfs/dbraw/zinc/06/86/01/970068601.db2.gz CLMNBSWMXHFFGF-ATZDWAIDSA-N 2 2 362.518 1.955 20 30 FDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194243748 970068605 /nfs/dbraw/zinc/06/86/05/970068605.db2.gz CLMNBSWMXHFFGF-ATZDWAIDSA-N 2 2 362.518 1.955 20 30 FDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194243748 970068614 /nfs/dbraw/zinc/06/86/14/970068614.db2.gz CLMNBSWMXHFFGF-ATZDWAIDSA-N 2 2 362.518 1.955 20 30 FDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194243748 970068624 /nfs/dbraw/zinc/06/86/24/970068624.db2.gz CLMNBSWMXHFFGF-ATZDWAIDSA-N 2 2 362.518 1.955 20 30 FDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865442507 974298637 /nfs/dbraw/zinc/29/86/37/974298637.db2.gz NIUQERUVHGJKMH-LJQANCHMSA-N 2 2 357.502 1.657 20 30 FDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865442507 974298648 /nfs/dbraw/zinc/29/86/48/974298648.db2.gz NIUQERUVHGJKMH-LJQANCHMSA-N 2 2 357.502 1.657 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110565877 975035090 /nfs/dbraw/zinc/03/50/90/975035090.db2.gz QLRXQLKGJLSDGQ-ZACQAIPSSA-N 2 2 362.518 1.275 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110565877 975035096 /nfs/dbraw/zinc/03/50/96/975035096.db2.gz QLRXQLKGJLSDGQ-ZACQAIPSSA-N 2 2 362.518 1.275 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201437329 975060453 /nfs/dbraw/zinc/06/04/53/975060453.db2.gz CBFGFCVXMJFEEU-RBSFLKMASA-N 2 2 352.866 1.483 20 30 FDEDLP N#Cc1ccc(N2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000866704257 975932933 /nfs/dbraw/zinc/93/29/33/975932933.db2.gz SDVKHTUOMPLONM-SFTDATJTSA-N 2 2 350.466 1.611 20 30 FDEDLP C=CCCn1cc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000848510769 976869634 /nfs/dbraw/zinc/86/96/34/976869634.db2.gz GLGVZJJGUAXYDX-GOSISDBHSA-N 2 2 370.457 1.754 20 30 FDEDLP C=CCCn1cc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000848510769 976869648 /nfs/dbraw/zinc/86/96/48/976869648.db2.gz GLGVZJJGUAXYDX-GOSISDBHSA-N 2 2 370.457 1.754 20 30 FDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000867955802 977138489 /nfs/dbraw/zinc/13/84/89/977138489.db2.gz HDUSDGZBOGXZJX-ZCNNSNEGSA-N 2 2 368.481 1.505 20 30 FDEDLP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110631237 978913087 /nfs/dbraw/zinc/91/30/87/978913087.db2.gz NPVVXLMVRYVHRE-RBUKOAKNSA-N 2 2 369.513 1.946 20 30 FDEDLP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110631237 978913088 /nfs/dbraw/zinc/91/30/88/978913088.db2.gz NPVVXLMVRYVHRE-RBUKOAKNSA-N 2 2 369.513 1.946 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884450289 983162435 /nfs/dbraw/zinc/16/24/35/983162435.db2.gz DKBYOJMIJUZIEJ-NJAFHUGGSA-N 2 2 359.470 1.317 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884450289 983162440 /nfs/dbraw/zinc/16/24/40/983162440.db2.gz DKBYOJMIJUZIEJ-NJAFHUGGSA-N 2 2 359.470 1.317 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000365768040 988063442 /nfs/dbraw/zinc/06/34/42/988063442.db2.gz ZXNSDTLZZDDLPU-FQEVSTJZSA-N 2 2 369.513 1.276 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000365768040 988063455 /nfs/dbraw/zinc/06/34/55/988063455.db2.gz ZXNSDTLZZDDLPU-FQEVSTJZSA-N 2 2 369.513 1.276 20 30 FDEDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000371425687 990422399 /nfs/dbraw/zinc/42/23/99/990422399.db2.gz UNUWRBHFFXVQRX-FQEVSTJZSA-N 2 2 369.513 1.134 20 30 FDEDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000371425687 990422407 /nfs/dbraw/zinc/42/24/07/990422407.db2.gz UNUWRBHFFXVQRX-FQEVSTJZSA-N 2 2 369.513 1.134 20 30 FDEDLP C#CC[C@@H](CCOC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875916707 992187487 /nfs/dbraw/zinc/18/74/87/992187487.db2.gz MEGVTBBRNMBGNQ-WMZOPIPTSA-N 2 2 350.507 1.225 20 30 FDEDLP C#CC[C@@H](CCOC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875916707 992187501 /nfs/dbraw/zinc/18/75/01/992187501.db2.gz MEGVTBBRNMBGNQ-WMZOPIPTSA-N 2 2 350.507 1.225 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000876734831 992850390 /nfs/dbraw/zinc/85/03/90/992850390.db2.gz KEDDCJFWXOXMMQ-OAHLLOKOSA-N 2 2 350.850 1.483 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374753170 992936689 /nfs/dbraw/zinc/93/66/89/992936689.db2.gz UPWPOIDPNXCYFB-KRWDZBQOSA-N 2 2 357.502 1.781 20 30 FDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374753170 992936692 /nfs/dbraw/zinc/93/66/92/992936692.db2.gz UPWPOIDPNXCYFB-KRWDZBQOSA-N 2 2 357.502 1.781 20 30 FDEDLP C[C@@H]1CCCN(C(=[NH2+])NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104183373 998315491 /nfs/dbraw/zinc/31/54/91/998315491.db2.gz PTJIZLZPTROIGU-MRXNPFEDSA-N 2 2 358.490 1.167 20 30 FDEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cc[nH+]c2)C3)C1=O ZINC001111497487 998995636 /nfs/dbraw/zinc/99/56/36/998995636.db2.gz XZGHUNBNILTZDH-BDXSIMOUSA-N 2 2 371.485 1.172 20 30 FDEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCn2cc[nH+]c2)C3)C1=O ZINC001111497487 998995639 /nfs/dbraw/zinc/99/56/39/998995639.db2.gz XZGHUNBNILTZDH-BDXSIMOUSA-N 2 2 371.485 1.172 20 30 FDEDLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)c1ccccc1 ZINC000933649336 1005598574 /nfs/dbraw/zinc/59/85/74/1005598574.db2.gz ZHCYZFDYNSQIGF-IBGZPJMESA-N 2 2 371.481 1.743 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267974 1007405496 /nfs/dbraw/zinc/40/54/96/1007405496.db2.gz QEMPRCMQOXTPNB-JBPLPALLSA-N 2 2 369.509 1.835 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267974 1007405503 /nfs/dbraw/zinc/40/55/03/1007405503.db2.gz QEMPRCMQOXTPNB-JBPLPALLSA-N 2 2 369.509 1.835 20 30 FDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC000963815675 1012730292 /nfs/dbraw/zinc/73/02/92/1012730292.db2.gz KENBGMFZQFHEEA-HRTVXQQGSA-N 2 2 352.482 1.804 20 30 FDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528511882 539764052 /nfs/dbraw/zinc/76/40/52/539764052.db2.gz WQKGKFPDBVMHEV-LPHOPBHVSA-N 2 2 359.470 1.483 20 30 FDEDLP N#Cc1ccc(OCCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131184501 173192943 /nfs/dbraw/zinc/19/29/43/173192943.db2.gz KTILVHTYQYGCKL-LJQANCHMSA-N 2 2 356.470 1.741 20 30 FDEDLP N#Cc1ccc(OCCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131184501 173192945 /nfs/dbraw/zinc/19/29/45/173192945.db2.gz KTILVHTYQYGCKL-LJQANCHMSA-N 2 2 356.470 1.741 20 30 FDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367379302 260033098 /nfs/dbraw/zinc/03/30/98/260033098.db2.gz ZTEZNBVGPWEKIF-HNNXBMFYSA-N 2 2 373.482 1.415 20 30 FDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367379302 260033099 /nfs/dbraw/zinc/03/30/99/260033099.db2.gz ZTEZNBVGPWEKIF-HNNXBMFYSA-N 2 2 373.482 1.415 20 30 FDEDLP COc1cc(C#N)ccc1C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375334825 261316264 /nfs/dbraw/zinc/31/62/64/261316264.db2.gz CZVHXUZUKFJTPQ-UHFFFAOYSA-N 2 2 358.486 1.407 20 30 FDEDLP COc1cc(C#N)ccc1C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375334825 261316266 /nfs/dbraw/zinc/31/62/66/261316266.db2.gz CZVHXUZUKFJTPQ-UHFFFAOYSA-N 2 2 358.486 1.407 20 30 FDEDLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000056892944 521937930 /nfs/dbraw/zinc/93/79/30/521937930.db2.gz KKDCDRJFDIMHLJ-UHFFFAOYSA-N 2 2 366.469 1.981 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000080468757 523883452 /nfs/dbraw/zinc/88/34/52/523883452.db2.gz MAKWGSAVHAYHNN-UHFFFAOYSA-N 2 2 373.501 1.604 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000080468757 523883459 /nfs/dbraw/zinc/88/34/59/523883459.db2.gz MAKWGSAVHAYHNN-UHFFFAOYSA-N 2 2 373.501 1.604 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000110674664 524119861 /nfs/dbraw/zinc/11/98/61/524119861.db2.gz NIGIADQGYVFCLO-UHFFFAOYSA-N 2 2 370.497 1.806 20 30 FDEDLP CCC[NH+]1CCC([NH+]2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000112358057 524469356 /nfs/dbraw/zinc/46/93/56/524469356.db2.gz AIWDTMPAAIESFU-UHFFFAOYSA-N 2 2 369.513 1.989 20 30 FDEDLP C#CCOc1ccc(F)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175422193 524959315 /nfs/dbraw/zinc/95/93/15/524959315.db2.gz JEZLDPRQDNIZIN-UHFFFAOYSA-N 2 2 362.449 1.985 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000131564583 525875195 /nfs/dbraw/zinc/87/51/95/525875195.db2.gz JIPYIMBFLNXLCM-RTBURBONSA-N 2 2 359.470 1.146 20 30 FDEDLP N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000131564583 525875207 /nfs/dbraw/zinc/87/52/07/525875207.db2.gz JIPYIMBFLNXLCM-RTBURBONSA-N 2 2 359.470 1.146 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182571748 535827136 /nfs/dbraw/zinc/82/71/36/535827136.db2.gz GDFMURGIZSGBIJ-WRURNZQNSA-N 2 2 360.546 1.818 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571748 535827142 /nfs/dbraw/zinc/82/71/42/535827142.db2.gz GDFMURGIZSGBIJ-WRURNZQNSA-N 2 2 360.546 1.818 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182571748 535827147 /nfs/dbraw/zinc/82/71/47/535827147.db2.gz GDFMURGIZSGBIJ-WRURNZQNSA-N 2 2 360.546 1.818 20 30 FDEDLP C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571748 535827150 /nfs/dbraw/zinc/82/71/50/535827150.db2.gz GDFMURGIZSGBIJ-WRURNZQNSA-N 2 2 360.546 1.818 20 30 FDEDLP COc1ccc(CCNC(=[NH2+])NCC(C)(C)[NH+]2CCOCC2)cc1OC ZINC000264152238 537138489 /nfs/dbraw/zinc/13/84/89/537138489.db2.gz ZPQPRFGLQGHWKH-UHFFFAOYSA-N 2 2 364.490 1.261 20 30 FDEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000293040987 537307872 /nfs/dbraw/zinc/30/78/72/537307872.db2.gz JSDDGANKIFTHMW-LJQANCHMSA-N 2 2 369.513 1.055 20 30 FDEDLP C#CCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000293040987 537307874 /nfs/dbraw/zinc/30/78/74/537307874.db2.gz JSDDGANKIFTHMW-LJQANCHMSA-N 2 2 369.513 1.055 20 30 FDEDLP C[C@H](CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000329955587 537647891 /nfs/dbraw/zinc/64/78/91/537647891.db2.gz KUHDBFNNQDGHTP-SJORKVTESA-N 2 2 362.522 1.743 20 30 FDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441055449 538304685 /nfs/dbraw/zinc/30/46/85/538304685.db2.gz NLQUVVJUPQHXGE-SFHVURJKSA-N 2 2 363.550 1.485 20 30 FDEDLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000567806414 548266783 /nfs/dbraw/zinc/26/67/83/548266783.db2.gz FDYBXVCJXXUZDY-SFHVURJKSA-N 2 2 359.474 1.272 20 30 FDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCN(C(=O)CC#N)CC3)c2cc1C ZINC000584847256 551559683 /nfs/dbraw/zinc/55/96/83/551559683.db2.gz JATNXDCQMDVAIR-INIZCTEOSA-N 2 2 355.442 1.072 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)CCO2 ZINC000592182700 551954735 /nfs/dbraw/zinc/95/47/35/551954735.db2.gz PLKHZVYQGUKWJD-UHFFFAOYSA-N 2 2 356.470 1.730 20 30 FDEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CCO2 ZINC000592182700 551954736 /nfs/dbraw/zinc/95/47/36/551954736.db2.gz PLKHZVYQGUKWJD-UHFFFAOYSA-N 2 2 356.470 1.730 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000595106714 552452635 /nfs/dbraw/zinc/45/26/35/552452635.db2.gz JYUQTYCIUMBAQU-ZDUSSCGKSA-N 2 2 363.437 1.024 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000595106714 552452637 /nfs/dbraw/zinc/45/26/37/552452637.db2.gz JYUQTYCIUMBAQU-ZDUSSCGKSA-N 2 2 363.437 1.024 20 30 FDEDLP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000596284803 552670881 /nfs/dbraw/zinc/67/08/81/552670881.db2.gz FJXUEWBCHLZRNH-LJQANCHMSA-N 2 2 358.486 1.815 20 30 FDEDLP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600888276 553325157 /nfs/dbraw/zinc/32/51/57/553325157.db2.gz WXGVADSNBCHEDU-SFHVURJKSA-N 2 2 354.454 1.190 20 30 FDEDLP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600888276 553325158 /nfs/dbraw/zinc/32/51/58/553325158.db2.gz WXGVADSNBCHEDU-SFHVURJKSA-N 2 2 354.454 1.190 20 30 FDEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602850152 553650670 /nfs/dbraw/zinc/65/06/70/553650670.db2.gz PEPCFPXWNQLKEG-KSZLIROESA-N 2 2 370.501 1.037 20 30 FDEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602850152 553650671 /nfs/dbraw/zinc/65/06/71/553650671.db2.gz PEPCFPXWNQLKEG-KSZLIROESA-N 2 2 370.501 1.037 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158616052 671981290 /nfs/dbraw/zinc/98/12/90/671981290.db2.gz XEFAJIQOAMSEMN-UHFFFAOYSA-N 2 2 358.552 1.335 20 30 FDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261859816 672684588 /nfs/dbraw/zinc/68/45/88/672684588.db2.gz NCZQRZJLGWVIFH-CYBMUJFWSA-N 2 2 367.485 1.179 20 30 FDEDLP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262551674 672806144 /nfs/dbraw/zinc/80/61/44/672806144.db2.gz TZEYYNQUHXNSHU-SECBINFHSA-N 2 2 351.398 1.158 20 30 FDEDLP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262551674 672806150 /nfs/dbraw/zinc/80/61/50/672806150.db2.gz TZEYYNQUHXNSHU-SECBINFHSA-N 2 2 351.398 1.158 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373872716 678067992 /nfs/dbraw/zinc/06/79/92/678067992.db2.gz SBFIHXCMHPLJGD-JZXOWHBKSA-N 2 2 350.507 1.435 20 30 FDEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373872716 678067993 /nfs/dbraw/zinc/06/79/93/678067993.db2.gz SBFIHXCMHPLJGD-JZXOWHBKSA-N 2 2 350.507 1.435 20 30 FDEDLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@@H]2C1 ZINC001164852109 720869806 /nfs/dbraw/zinc/86/98/06/720869806.db2.gz CBQHXMHWSMBLAX-RHSMWYFYSA-N 2 2 355.442 1.608 20 30 FDEDLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@@H]2C1 ZINC001164852109 720869807 /nfs/dbraw/zinc/86/98/07/720869807.db2.gz CBQHXMHWSMBLAX-RHSMWYFYSA-N 2 2 355.442 1.608 20 30 FDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000969686349 770645817 /nfs/dbraw/zinc/64/58/17/770645817.db2.gz AWXVHUVWARDZGU-QGTPRVQTSA-N 2 2 369.937 1.922 20 30 FDEDLP C=CCCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)nn1 ZINC000657314313 781810586 /nfs/dbraw/zinc/81/05/86/781810586.db2.gz UKZDEJHNUNJGMW-UHFFFAOYSA-N 2 2 355.490 1.681 20 30 FDEDLP CCOC(=O)C1CC[NH+](CC#CC[NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC000472777741 791935695 /nfs/dbraw/zinc/93/56/95/791935695.db2.gz XBCIJPXFZRLBPA-UHFFFAOYSA-N 2 2 364.486 1.540 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378298437 793912146 /nfs/dbraw/zinc/91/21/46/793912146.db2.gz ZPTQXJCJGDTUKY-VQTJNVASSA-N 2 2 370.497 1.873 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378298437 793912149 /nfs/dbraw/zinc/91/21/49/793912149.db2.gz ZPTQXJCJGDTUKY-VQTJNVASSA-N 2 2 370.497 1.873 20 30 FDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001104868698 794140441 /nfs/dbraw/zinc/14/04/41/794140441.db2.gz NQGFMGYPBHGDSJ-IAGOWNOFSA-N 2 2 351.454 1.978 20 30 FDEDLP C=CC[C@@]1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCC[NH2+]1 ZINC000662672209 806944725 /nfs/dbraw/zinc/94/47/25/806944725.db2.gz XPHFVVULQIAJQC-NRFANRHFSA-N 2 2 370.497 1.904 20 30 FDEDLP C=CC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCC[NH2+]1 ZINC000662800468 803328643 /nfs/dbraw/zinc/32/86/43/803328643.db2.gz QOFJZWKJQUQQTE-NRFANRHFSA-N 2 2 370.497 1.988 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112527581 805553788 /nfs/dbraw/zinc/55/37/88/805553788.db2.gz MMYODJAMMQVBAV-FIKGOQFSSA-N 2 2 370.497 1.698 20 30 FDEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211713805 809076818 /nfs/dbraw/zinc/07/68/18/809076818.db2.gz UNPULDSQJJFKSH-AZUAARDMSA-N 2 2 366.465 1.495 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)cc1 ZINC000418632511 809089574 /nfs/dbraw/zinc/08/95/74/809089574.db2.gz ZADKKXFHVJSKNZ-LJQANCHMSA-N 2 2 355.486 1.903 20 30 FDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211715593 809142323 /nfs/dbraw/zinc/14/23/23/809142323.db2.gz DPGJWWOLRSMWMQ-VQTJNVASSA-N 2 2 350.466 1.960 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261931061 811347218 /nfs/dbraw/zinc/34/72/18/811347218.db2.gz BJIIUCFFADJUOR-CRAIPNDOSA-N 3 2 369.517 1.969 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261931061 811347226 /nfs/dbraw/zinc/34/72/26/811347226.db2.gz BJIIUCFFADJUOR-CRAIPNDOSA-N 3 2 369.517 1.969 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262004607 811364979 /nfs/dbraw/zinc/36/49/79/811364979.db2.gz VHHLSTQTUWSHOQ-OAHLLOKOSA-N 2 2 357.462 1.110 20 30 FDEDLP Cc1nnc(CNC(NC2CCN(c3cccc[nH+]3)CC2)=[NH+]C2CC2)n1C ZINC000261977897 817889605 /nfs/dbraw/zinc/88/96/05/817889605.db2.gz ODJZQXBDDGLLTL-UHFFFAOYSA-N 2 2 368.489 1.385 20 30 FDEDLP CN(c1cccc(F)c1C#N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521013530 821047051 /nfs/dbraw/zinc/04/70/51/821047051.db2.gz LTXZUAXPZLZRGP-UHFFFAOYSA-N 2 2 373.476 1.372 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001087847768 822583278 /nfs/dbraw/zinc/58/32/78/822583278.db2.gz PYLLUOLINXIFID-ZWKOTPCHSA-N 2 2 367.453 1.933 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001087847768 822583281 /nfs/dbraw/zinc/58/32/81/822583281.db2.gz PYLLUOLINXIFID-ZWKOTPCHSA-N 2 2 367.453 1.933 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001087920538 823873836 /nfs/dbraw/zinc/87/38/36/823873836.db2.gz SODJFUAFVWKNSV-HKBOAZHASA-N 2 2 367.493 1.149 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001087920538 823873845 /nfs/dbraw/zinc/87/38/45/823873845.db2.gz SODJFUAFVWKNSV-HKBOAZHASA-N 2 2 367.493 1.149 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001087920538 823873861 /nfs/dbraw/zinc/87/38/61/823873861.db2.gz SODJFUAFVWKNSV-HKBOAZHASA-N 2 2 367.493 1.149 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001087920538 823873871 /nfs/dbraw/zinc/87/38/71/823873871.db2.gz SODJFUAFVWKNSV-HKBOAZHASA-N 2 2 367.493 1.149 20 30 FDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000330253849 825767482 /nfs/dbraw/zinc/76/74/82/825767482.db2.gz ARFIYKYNGUCQFH-ZDUSSCGKSA-N 2 2 360.462 1.496 20 30 FDEDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528375907 829369212 /nfs/dbraw/zinc/36/92/12/829369212.db2.gz DPDYJAYPUBMKEX-WOJBJXKFSA-N 2 2 372.513 1.400 20 30 FDEDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528375907 829369223 /nfs/dbraw/zinc/36/92/23/829369223.db2.gz DPDYJAYPUBMKEX-WOJBJXKFSA-N 2 2 372.513 1.400 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088493884 831772392 /nfs/dbraw/zinc/77/23/92/831772392.db2.gz CPGHFALUQRVFFK-JLSDUUJJSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088493884 831772398 /nfs/dbraw/zinc/77/23/98/831772398.db2.gz CPGHFALUQRVFFK-JLSDUUJJSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088493884 831772403 /nfs/dbraw/zinc/77/24/03/831772403.db2.gz CPGHFALUQRVFFK-JLSDUUJJSA-N 2 2 356.470 1.740 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001088493884 831772409 /nfs/dbraw/zinc/77/24/09/831772409.db2.gz CPGHFALUQRVFFK-JLSDUUJJSA-N 2 2 356.470 1.740 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)[C@@H]1C ZINC001088630944 838620469 /nfs/dbraw/zinc/62/04/69/838620469.db2.gz JARNNFZNBACTHP-CZAAIQMYSA-N 2 2 367.493 1.893 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)[C@@H]1C ZINC001088630944 838620476 /nfs/dbraw/zinc/62/04/76/838620476.db2.gz JARNNFZNBACTHP-CZAAIQMYSA-N 2 2 367.493 1.893 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc3c(c2)COC3)[C@@H]1C ZINC001088630944 838620480 /nfs/dbraw/zinc/62/04/80/838620480.db2.gz JARNNFZNBACTHP-CZAAIQMYSA-N 2 2 367.493 1.893 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc3c(c2)COC3)[C@@H]1C ZINC001088630944 838620485 /nfs/dbraw/zinc/62/04/85/838620485.db2.gz JARNNFZNBACTHP-CZAAIQMYSA-N 2 2 367.493 1.893 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001083668250 861243895 /nfs/dbraw/zinc/24/38/95/861243895.db2.gz JAKZUIHSASSTEF-AABGKKOBSA-N 2 2 368.481 1.094 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001083668250 861243908 /nfs/dbraw/zinc/24/39/08/861243908.db2.gz JAKZUIHSASSTEF-AABGKKOBSA-N 2 2 368.481 1.094 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105667936 843725462 /nfs/dbraw/zinc/72/54/62/843725462.db2.gz GRAYKLSKIMOFMG-HNBVOPMISA-N 2 2 358.486 1.250 20 30 FDEDLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001076078025 847196340 /nfs/dbraw/zinc/19/63/40/847196340.db2.gz LBYDUJLUXDREJY-RBUKOAKNSA-N 2 2 363.465 1.957 20 30 FDEDLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001076078025 847196353 /nfs/dbraw/zinc/19/63/53/847196353.db2.gz LBYDUJLUXDREJY-RBUKOAKNSA-N 2 2 363.465 1.957 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070606 847203006 /nfs/dbraw/zinc/20/30/06/847203006.db2.gz RKRBSZNPQJHKBE-HNCZQISISA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070606 847203015 /nfs/dbraw/zinc/20/30/15/847203015.db2.gz RKRBSZNPQJHKBE-HNCZQISISA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070606 847203023 /nfs/dbraw/zinc/20/30/23/847203023.db2.gz RKRBSZNPQJHKBE-HNCZQISISA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070606 847203032 /nfs/dbraw/zinc/20/30/32/847203032.db2.gz RKRBSZNPQJHKBE-HNCZQISISA-N 2 2 351.878 1.135 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076594964 848521156 /nfs/dbraw/zinc/52/11/56/848521156.db2.gz ZDGFQAJWWZMIBW-XUVXKRRUSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076594964 848521162 /nfs/dbraw/zinc/52/11/62/848521162.db2.gz ZDGFQAJWWZMIBW-XUVXKRRUSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076594964 848521173 /nfs/dbraw/zinc/52/11/73/848521173.db2.gz ZDGFQAJWWZMIBW-XUVXKRRUSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076594964 848521176 /nfs/dbraw/zinc/52/11/76/848521176.db2.gz ZDGFQAJWWZMIBW-XUVXKRRUSA-N 2 2 368.481 1.312 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cscn4)C[C@H]32)CC1 ZINC001076605605 848556296 /nfs/dbraw/zinc/55/62/96/848556296.db2.gz ISRMBQZJHRRDBA-FUHWJXTLSA-N 2 2 358.511 1.521 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cscn4)C[C@H]32)CC1 ZINC001076605605 848556301 /nfs/dbraw/zinc/55/63/01/848556301.db2.gz ISRMBQZJHRRDBA-FUHWJXTLSA-N 2 2 358.511 1.521 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001077026819 849573573 /nfs/dbraw/zinc/57/35/73/849573573.db2.gz MEVMQOVTKVDCIS-MTQWCTHYSA-N 2 2 373.472 1.069 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077026819 849573579 /nfs/dbraw/zinc/57/35/79/849573579.db2.gz MEVMQOVTKVDCIS-MTQWCTHYSA-N 2 2 373.472 1.069 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)CC[NH+]1C ZINC001077026819 849573584 /nfs/dbraw/zinc/57/35/84/849573584.db2.gz MEVMQOVTKVDCIS-MTQWCTHYSA-N 2 2 373.472 1.069 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)CC[NH+]1C ZINC001077026819 849573588 /nfs/dbraw/zinc/57/35/88/849573588.db2.gz MEVMQOVTKVDCIS-MTQWCTHYSA-N 2 2 373.472 1.069 20 30 FDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000905438449 851942277 /nfs/dbraw/zinc/94/22/77/851942277.db2.gz KIEMWUWVUAKCMK-VQTJNVASSA-N 2 2 357.502 1.589 20 30 FDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000905438449 851942284 /nfs/dbraw/zinc/94/22/84/851942284.db2.gz KIEMWUWVUAKCMK-VQTJNVASSA-N 2 2 357.502 1.589 20 30 FDEDLP C[NH+](CCC#N)C[C@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000905438449 851942289 /nfs/dbraw/zinc/94/22/89/851942289.db2.gz KIEMWUWVUAKCMK-VQTJNVASSA-N 2 2 357.502 1.589 20 30 FDEDLP C[NH+](CCC#N)C[C@H](O)CNc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000905438449 851942292 /nfs/dbraw/zinc/94/22/92/851942292.db2.gz KIEMWUWVUAKCMK-VQTJNVASSA-N 2 2 357.502 1.589 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906594318 853061684 /nfs/dbraw/zinc/06/16/84/853061684.db2.gz XOOJRWCAXCHTNZ-UHFFFAOYSA-N 2 2 360.502 1.591 20 30 FDEDLP COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463276691 868428653 /nfs/dbraw/zinc/42/86/53/868428653.db2.gz ANINPNIIYUIOGZ-LEWJYISDSA-N 2 2 373.497 1.933 20 30 FDEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212487259 872148094 /nfs/dbraw/zinc/14/80/94/872148094.db2.gz XYGTWBBPFOIALW-HZPDHXFCSA-N 2 2 364.515 1.665 20 30 FDEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212487259 872148107 /nfs/dbraw/zinc/14/81/07/872148107.db2.gz XYGTWBBPFOIALW-HZPDHXFCSA-N 2 2 364.515 1.665 20 30 FDEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212487259 872148118 /nfs/dbraw/zinc/14/81/18/872148118.db2.gz XYGTWBBPFOIALW-HZPDHXFCSA-N 2 2 364.515 1.665 20 30 FDEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212487259 872148134 /nfs/dbraw/zinc/14/81/34/872148134.db2.gz XYGTWBBPFOIALW-HZPDHXFCSA-N 2 2 364.515 1.665 20 30 FDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495878 872519815 /nfs/dbraw/zinc/51/98/15/872519815.db2.gz RRCFCOVDBATMCH-KBRIMQKVSA-N 2 2 350.463 1.520 20 30 FDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495878 872519820 /nfs/dbraw/zinc/51/98/20/872519820.db2.gz RRCFCOVDBATMCH-KBRIMQKVSA-N 2 2 350.463 1.520 20 30 FDEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106291721 874540728 /nfs/dbraw/zinc/54/07/28/874540728.db2.gz JCBVMTJDADMUTO-QRVBRYPASA-N 2 2 360.502 1.804 20 30 FDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001106461198 875450171 /nfs/dbraw/zinc/45/01/71/875450171.db2.gz PIBSHQDEWIZAKN-MKXGPGLRSA-N 2 2 365.518 1.126 20 30 FDEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc3cc(C#N)c(C#N)cc3nc2Cl)CC1 ZINC001168735882 879519484 /nfs/dbraw/zinc/51/94/84/879519484.db2.gz HTQLHUJMMFXZCC-UHFFFAOYSA-N 2 2 354.805 1.621 20 30 FDEDLP C[NH+]1CCC(n2ccc(NC(=O)NCc3cn4c([nH+]3)CCCC4)n2)CC1 ZINC000330210645 887594433 /nfs/dbraw/zinc/59/44/33/887594433.db2.gz IMUGXHFXZGRJFT-UHFFFAOYSA-N 2 2 357.462 2.209 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084232081 913784266 /nfs/dbraw/zinc/78/42/66/913784266.db2.gz SNQIDVOCRNIUHJ-BHIYHBOVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084232081 913784284 /nfs/dbraw/zinc/78/42/84/913784284.db2.gz SNQIDVOCRNIUHJ-BHIYHBOVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084232081 913784294 /nfs/dbraw/zinc/78/42/94/913784294.db2.gz SNQIDVOCRNIUHJ-BHIYHBOVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084232081 913784305 /nfs/dbraw/zinc/78/43/05/913784305.db2.gz SNQIDVOCRNIUHJ-BHIYHBOVSA-N 2 2 356.445 1.824 20 30 FDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089958624 897296186 /nfs/dbraw/zinc/29/61/86/897296186.db2.gz DSYZTKYIICQBPW-RCCFBDPRSA-N 2 2 370.497 1.534 20 30 FDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089958624 897296199 /nfs/dbraw/zinc/29/61/99/897296199.db2.gz DSYZTKYIICQBPW-RCCFBDPRSA-N 2 2 370.497 1.534 20 30 FDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959450 897339987 /nfs/dbraw/zinc/33/99/87/897339987.db2.gz KJVUMRXDLJEBEB-GVDBMIGSSA-N 2 2 356.470 1.144 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959450 897340000 /nfs/dbraw/zinc/34/00/00/897340000.db2.gz KJVUMRXDLJEBEB-GVDBMIGSSA-N 2 2 356.470 1.144 20 30 FDEDLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21)C1CC1 ZINC001084406600 914627338 /nfs/dbraw/zinc/62/73/38/914627338.db2.gz UBFYABXVJCHJSG-NJDAHSKKSA-N 2 2 351.494 1.911 20 30 FDEDLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21)C1CC1 ZINC001084406600 914627346 /nfs/dbraw/zinc/62/73/46/914627346.db2.gz UBFYABXVJCHJSG-NJDAHSKKSA-N 2 2 351.494 1.911 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079494847 902712670 /nfs/dbraw/zinc/71/26/70/902712670.db2.gz PZHMPNKYGGDMDR-OLMNPRSZSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079494847 902712676 /nfs/dbraw/zinc/71/26/76/902712676.db2.gz PZHMPNKYGGDMDR-OLMNPRSZSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079494847 902712679 /nfs/dbraw/zinc/71/26/79/902712679.db2.gz PZHMPNKYGGDMDR-OLMNPRSZSA-N 2 2 356.470 1.598 20 30 FDEDLP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079494847 902712686 /nfs/dbraw/zinc/71/26/86/902712686.db2.gz PZHMPNKYGGDMDR-OLMNPRSZSA-N 2 2 356.470 1.598 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000764094035 903507702 /nfs/dbraw/zinc/50/77/02/903507702.db2.gz NHPNQGSFCGLYKB-JXFKEZNVSA-N 2 2 372.488 1.852 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000764094035 903507715 /nfs/dbraw/zinc/50/77/15/903507715.db2.gz NHPNQGSFCGLYKB-JXFKEZNVSA-N 2 2 372.488 1.852 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C ZINC001079878146 903600891 /nfs/dbraw/zinc/60/08/91/903600891.db2.gz IMAAJQIKRWLXOM-AHRSYUTCSA-N 2 2 357.473 1.902 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1C ZINC001079878146 903600896 /nfs/dbraw/zinc/60/08/96/903600896.db2.gz IMAAJQIKRWLXOM-AHRSYUTCSA-N 2 2 357.473 1.902 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2F)C[C@H]1C ZINC001079878146 903600900 /nfs/dbraw/zinc/60/09/00/903600900.db2.gz IMAAJQIKRWLXOM-AHRSYUTCSA-N 2 2 357.473 1.902 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2F)C[C@H]1C ZINC001079878146 903600903 /nfs/dbraw/zinc/60/09/03/903600903.db2.gz IMAAJQIKRWLXOM-AHRSYUTCSA-N 2 2 357.473 1.902 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950269 903746269 /nfs/dbraw/zinc/74/62/69/903746269.db2.gz KDFLIYAJHTWZHL-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950269 903746279 /nfs/dbraw/zinc/74/62/79/903746279.db2.gz KDFLIYAJHTWZHL-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079950269 903746289 /nfs/dbraw/zinc/74/62/89/903746289.db2.gz KDFLIYAJHTWZHL-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079950269 903746299 /nfs/dbraw/zinc/74/62/99/903746299.db2.gz KDFLIYAJHTWZHL-TWKYDXJASA-N 2 2 374.460 1.353 20 30 FDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001082323305 906875680 /nfs/dbraw/zinc/87/56/80/906875680.db2.gz OCIAYRLWOVCHLL-QZTJIDSGSA-N 2 2 355.442 1.663 20 30 FDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001082323305 906875691 /nfs/dbraw/zinc/87/56/91/906875691.db2.gz OCIAYRLWOVCHLL-QZTJIDSGSA-N 2 2 355.442 1.663 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326601 906907102 /nfs/dbraw/zinc/90/71/02/906907102.db2.gz JWNOVPUKGDADTH-VAMGGRTRSA-N 2 2 355.482 1.195 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326601 906907105 /nfs/dbraw/zinc/90/71/05/906907105.db2.gz JWNOVPUKGDADTH-VAMGGRTRSA-N 2 2 355.482 1.195 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326601 906907109 /nfs/dbraw/zinc/90/71/09/906907109.db2.gz JWNOVPUKGDADTH-VAMGGRTRSA-N 2 2 355.482 1.195 20 30 FDEDLP CO[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326601 906907115 /nfs/dbraw/zinc/90/71/15/906907115.db2.gz JWNOVPUKGDADTH-VAMGGRTRSA-N 2 2 355.482 1.195 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326758 906908433 /nfs/dbraw/zinc/90/84/33/906908433.db2.gz PPGUENZQXAIFBS-IAOVAPTHSA-N 2 2 362.499 1.277 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326758 906908437 /nfs/dbraw/zinc/90/84/37/906908437.db2.gz PPGUENZQXAIFBS-IAOVAPTHSA-N 2 2 362.499 1.277 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326758 906908442 /nfs/dbraw/zinc/90/84/42/906908442.db2.gz PPGUENZQXAIFBS-IAOVAPTHSA-N 2 2 362.499 1.277 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326758 906908445 /nfs/dbraw/zinc/90/84/45/906908445.db2.gz PPGUENZQXAIFBS-IAOVAPTHSA-N 2 2 362.499 1.277 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc(C)no3)C[C@H]2C)CC1 ZINC001080992675 906962349 /nfs/dbraw/zinc/96/23/49/906962349.db2.gz UXSWIOJBKALGAS-CKEIUWERSA-N 2 2 359.474 1.221 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc(C)no3)C[C@H]2C)CC1 ZINC001080992675 906962357 /nfs/dbraw/zinc/96/23/57/906962357.db2.gz UXSWIOJBKALGAS-CKEIUWERSA-N 2 2 359.474 1.221 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)CC1 ZINC001080997727 906972912 /nfs/dbraw/zinc/97/29/12/906972912.db2.gz JVTOUKDBZOKHSD-CKEIUWERSA-N 2 2 359.474 1.221 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)CC1 ZINC001080997727 906972917 /nfs/dbraw/zinc/97/29/17/906972917.db2.gz JVTOUKDBZOKHSD-CKEIUWERSA-N 2 2 359.474 1.221 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082492688 908013690 /nfs/dbraw/zinc/01/36/90/908013690.db2.gz GDFLNPDJEJSWAW-CXAGYDPISA-N 2 2 355.417 1.990 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001082567813 908703126 /nfs/dbraw/zinc/70/31/26/908703126.db2.gz CSEZPMSCRVKIJR-KFWWJZLASA-N 2 2 363.893 1.108 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001082567813 908703135 /nfs/dbraw/zinc/70/31/35/908703135.db2.gz CSEZPMSCRVKIJR-KFWWJZLASA-N 2 2 363.893 1.108 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082603263 908914159 /nfs/dbraw/zinc/91/41/59/908914159.db2.gz RHNWLNHXAAKOBK-AYOQOUSVSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082603971 908921998 /nfs/dbraw/zinc/92/19/98/908921998.db2.gz XELGEPPNZZLEFD-ATZDWAIDSA-N 2 2 363.465 1.954 20 30 FDEDLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001084830005 917504609 /nfs/dbraw/zinc/50/46/09/917504609.db2.gz HAXYWJWYWNVTAV-JTDSTZFVSA-N 2 2 356.445 1.682 20 30 FDEDLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001084830005 917504628 /nfs/dbraw/zinc/50/46/28/917504628.db2.gz HAXYWJWYWNVTAV-JTDSTZFVSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001084830005 917504641 /nfs/dbraw/zinc/50/46/41/917504641.db2.gz HAXYWJWYWNVTAV-JTDSTZFVSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001084830005 917504652 /nfs/dbraw/zinc/50/46/52/917504652.db2.gz HAXYWJWYWNVTAV-JTDSTZFVSA-N 2 2 356.445 1.682 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1C#N ZINC001084832745 917533642 /nfs/dbraw/zinc/53/36/42/917533642.db2.gz VKMONRDBXPOXMM-IEBWSBKVSA-N 2 2 368.481 1.695 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1C#N ZINC001084832745 917533645 /nfs/dbraw/zinc/53/36/45/917533645.db2.gz VKMONRDBXPOXMM-IEBWSBKVSA-N 2 2 368.481 1.695 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129910206 938549761 /nfs/dbraw/zinc/54/97/61/938549761.db2.gz IFWYMJAYBQXTLZ-MSOLQXFVSA-N 2 2 365.441 1.776 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000892 938608369 /nfs/dbraw/zinc/60/83/69/938608369.db2.gz VGXQQHQTNMKJHM-UAGQMJEPSA-N 2 2 369.473 1.429 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130712942 939999973 /nfs/dbraw/zinc/99/99/73/939999973.db2.gz TVUQVIAWABYXFQ-FUHWJXTLSA-N 2 2 356.474 1.247 20 30 FDEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131130690 940511466 /nfs/dbraw/zinc/51/14/66/940511466.db2.gz YOWQUDOWTIBSGA-QZTJIDSGSA-N 2 2 370.501 1.947 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001131592968 940764002 /nfs/dbraw/zinc/76/40/02/940764002.db2.gz FFVFXYWNSVBSRV-QUCCMNQESA-N 2 2 360.502 1.915 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000818599384 943327820 /nfs/dbraw/zinc/32/78/20/943327820.db2.gz NJSNOLVXVKIIPK-KRWDZBQOSA-N 2 2 360.477 1.408 20 30 FDEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197049691 972052440 /nfs/dbraw/zinc/05/24/40/972052440.db2.gz QKPROVQOKNXOQW-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197049691 972052446 /nfs/dbraw/zinc/05/24/46/972052446.db2.gz QKPROVQOKNXOQW-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1nccn12 ZINC001092392813 954994413 /nfs/dbraw/zinc/99/44/13/954994413.db2.gz LKPUUDQLXDVZCH-BZUAXINKSA-N 2 2 366.469 1.568 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001093447675 958101682 /nfs/dbraw/zinc/10/16/82/958101682.db2.gz YLRYAWKEJLDSOP-YAJHFMINSA-N 2 2 360.502 1.885 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001093466122 958207752 /nfs/dbraw/zinc/20/77/52/958207752.db2.gz LNQGYVUSCAFMPE-XYVMCAHJSA-N 2 2 366.893 1.671 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001093479497 958298874 /nfs/dbraw/zinc/29/88/74/958298874.db2.gz KHFAOQBTWRMHKN-AHCXZYCDSA-N 2 2 366.893 1.602 20 30 FDEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@@H]1CCCO1 ZINC000775788104 972441491 /nfs/dbraw/zinc/44/14/91/972441491.db2.gz CKRFLHATWYQBOR-PMACEKPBSA-N 2 2 355.482 1.410 20 30 FDEDLP C=CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)OC)CC1 ZINC001180407241 965310749 /nfs/dbraw/zinc/31/07/49/965310749.db2.gz JHFITMRGAPKVBK-RBUKOAKNSA-N 2 2 371.481 1.238 20 30 FDEDLP C=CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)OC)CC1 ZINC001180407241 965310754 /nfs/dbraw/zinc/31/07/54/965310754.db2.gz JHFITMRGAPKVBK-RBUKOAKNSA-N 2 2 371.481 1.238 20 30 FDEDLP C#CCC[N@@H+](CCOC)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000853621214 968200483 /nfs/dbraw/zinc/20/04/83/968200483.db2.gz UNYNFXBKAQPHKS-SFTDATJTSA-N 2 2 369.509 1.896 20 30 FDEDLP C#CCC[N@H+](CCOC)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000853621214 968200491 /nfs/dbraw/zinc/20/04/91/968200491.db2.gz UNYNFXBKAQPHKS-SFTDATJTSA-N 2 2 369.509 1.896 20 30 FDEDLP C#CCC[NH+](CCOC)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000853621214 968200502 /nfs/dbraw/zinc/20/05/02/968200502.db2.gz UNYNFXBKAQPHKS-SFTDATJTSA-N 2 2 369.509 1.896 20 30 FDEDLP C#CCC[NH+](CCOC)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000853621214 968200511 /nfs/dbraw/zinc/20/05/11/968200511.db2.gz UNYNFXBKAQPHKS-SFTDATJTSA-N 2 2 369.509 1.896 20 30 FDEDLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197996828 972670530 /nfs/dbraw/zinc/67/05/30/972670530.db2.gz IFDJXWJPZJGSNC-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197996828 972670534 /nfs/dbraw/zinc/67/05/34/972670534.db2.gz IFDJXWJPZJGSNC-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197996828 972670541 /nfs/dbraw/zinc/67/05/41/972670541.db2.gz IFDJXWJPZJGSNC-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197996828 972670546 /nfs/dbraw/zinc/67/05/46/972670546.db2.gz IFDJXWJPZJGSNC-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729664 973428211 /nfs/dbraw/zinc/42/82/11/973428211.db2.gz VSYBRWHZZOPHNM-WOJBJXKFSA-N 2 2 370.497 1.486 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729664 973428221 /nfs/dbraw/zinc/42/82/21/973428221.db2.gz VSYBRWHZZOPHNM-WOJBJXKFSA-N 2 2 370.497 1.486 20 30 FDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000867962225 977146564 /nfs/dbraw/zinc/14/65/64/977146564.db2.gz MTRQACHEWDGRON-CLCXKQKWSA-N 2 2 370.497 1.749 20 30 FDEDLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000867981608 977165887 /nfs/dbraw/zinc/16/58/87/977165887.db2.gz VBZJAVUTKSWZJA-GOSISDBHSA-N 2 2 356.470 1.314 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001110740843 981881945 /nfs/dbraw/zinc/88/19/45/981881945.db2.gz GTOVSXFWKVOOKR-SFUIVIKGSA-N 2 2 358.486 1.747 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001110740843 981881961 /nfs/dbraw/zinc/88/19/61/981881961.db2.gz GTOVSXFWKVOOKR-SFUIVIKGSA-N 2 2 358.486 1.747 20 30 FDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001110740843 981881971 /nfs/dbraw/zinc/88/19/71/981881971.db2.gz GTOVSXFWKVOOKR-SFUIVIKGSA-N 2 2 358.486 1.747 20 30 FDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001110740843 981881983 /nfs/dbraw/zinc/88/19/83/981881983.db2.gz GTOVSXFWKVOOKR-SFUIVIKGSA-N 2 2 358.486 1.747 20 30 FDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883372128 982101347 /nfs/dbraw/zinc/10/13/47/982101347.db2.gz NGELZVCAMHWOTE-ICSRJNTNSA-N 2 2 372.513 1.864 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000884205291 982980755 /nfs/dbraw/zinc/98/07/55/982980755.db2.gz RNMKXPZUUBZYEO-ULQDDVLXSA-N 2 2 351.491 1.546 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000884205291 982980759 /nfs/dbraw/zinc/98/07/59/982980759.db2.gz RNMKXPZUUBZYEO-ULQDDVLXSA-N 2 2 351.491 1.546 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000884210658 982987450 /nfs/dbraw/zinc/98/74/50/982987450.db2.gz GSMFZZOJZDJTKB-SJORKVTESA-N 2 2 351.491 1.548 20 30 FDEDLP C=CC(C)(C)CCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000872830575 988142214 /nfs/dbraw/zinc/14/22/14/988142214.db2.gz ZQBSTEOUMDIEPP-UHFFFAOYSA-N 2 2 366.550 1.579 20 30 FDEDLP C=CC(C)(C)CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000872830575 988142224 /nfs/dbraw/zinc/14/22/24/988142224.db2.gz ZQBSTEOUMDIEPP-UHFFFAOYSA-N 2 2 366.550 1.579 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCC[NH+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193243 988939904 /nfs/dbraw/zinc/93/99/04/988939904.db2.gz FURQGWUQHGJCJT-QRVBRYPASA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCC[NH+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193243 988939907 /nfs/dbraw/zinc/93/99/07/988939907.db2.gz FURQGWUQHGJCJT-QRVBRYPASA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@@H]([NH+](C)[C@@H]2CCC[N@@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193243 988939910 /nfs/dbraw/zinc/93/99/10/988939910.db2.gz FURQGWUQHGJCJT-QRVBRYPASA-N 2 2 374.529 1.347 20 30 FDEDLP C=CCN1CC[C@@H]([NH+](C)[C@@H]2CCC[N@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193243 988939912 /nfs/dbraw/zinc/93/99/12/988939912.db2.gz FURQGWUQHGJCJT-QRVBRYPASA-N 2 2 374.529 1.347 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cccc(OCC#N)c3)C2)CC1 ZINC000372859472 991609696 /nfs/dbraw/zinc/60/96/96/991609696.db2.gz URIYRWGBIZXVJL-KRWDZBQOSA-N 2 2 356.470 1.416 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cccc(OCC#N)c3)C2)CC1 ZINC000372859472 991609703 /nfs/dbraw/zinc/60/97/03/991609703.db2.gz URIYRWGBIZXVJL-KRWDZBQOSA-N 2 2 356.470 1.416 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000876738583 992856375 /nfs/dbraw/zinc/85/63/75/992856375.db2.gz HMWSATKSCRYOLV-QGZVFWFLSA-N 2 2 367.877 1.484 20 30 FDEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000413040412 993056350 /nfs/dbraw/zinc/05/63/50/993056350.db2.gz WDEBSMABGDYQTC-UHFFFAOYSA-N 2 2 370.453 1.676 20 30 FDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591156 995057201 /nfs/dbraw/zinc/05/72/01/995057201.db2.gz KMTIYGIUQJSSGL-KRWDZBQOSA-N 2 2 361.534 1.429 20 30 FDEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000271218805 999675658 /nfs/dbraw/zinc/67/56/58/999675658.db2.gz OANBNAZROAQSEB-UHFFFAOYSA-N 2 2 357.458 1.880 20 30 FDEDLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC000929770803 1002422166 /nfs/dbraw/zinc/42/21/66/1002422166.db2.gz YJLXSTQONSEWJE-IRXDYDNUSA-N 2 2 358.486 1.982 20 30 FDEDLP [NH2+]=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCCCC1 ZINC000305033237 1008562757 /nfs/dbraw/zinc/56/27/57/1008562757.db2.gz AVAWQHHVTFVIAT-UHFFFAOYSA-N 2 2 358.490 1.311 20 30 FDEDLP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000963717451 1012596301 /nfs/dbraw/zinc/59/63/01/1012596301.db2.gz XKSJMPFWOMCNEI-GMNCBBECSA-N 2 2 365.518 1.411 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)cc1 ZINC000264823774 179211947 /nfs/dbraw/zinc/21/19/47/179211947.db2.gz CZPYTBUBRMYRAP-UHFFFAOYSA-N 2 2 373.526 1.434 20 30 FDEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C#N ZINC000535962800 540532585 /nfs/dbraw/zinc/53/25/85/540532585.db2.gz GFVSNAGLEHYFFH-SFHVURJKSA-N 2 2 370.497 1.945 20 30 FDEDLP COC(=O)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C#N ZINC000535962800 540532588 /nfs/dbraw/zinc/53/25/88/540532588.db2.gz GFVSNAGLEHYFFH-SFHVURJKSA-N 2 2 370.497 1.945 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)cc1 ZINC000541779465 541263588 /nfs/dbraw/zinc/26/35/88/541263588.db2.gz VFOSNCPRIIVJPD-UHFFFAOYSA-N 2 2 363.465 1.978 20 30 FDEDLP Cc1cc(C#N)ccc1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000181064472 174204771 /nfs/dbraw/zinc/20/47/71/174204771.db2.gz WCCVYDJMKASYHW-UHFFFAOYSA-N 2 2 364.515 1.513 20 30 FDEDLP Cc1cc(C#N)ccc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000181064472 174204772 /nfs/dbraw/zinc/20/47/72/174204772.db2.gz WCCVYDJMKASYHW-UHFFFAOYSA-N 2 2 364.515 1.513 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332409587 259264502 /nfs/dbraw/zinc/26/45/02/259264502.db2.gz ZQTQTZGACVIROX-OXQOHEQNSA-N 2 2 370.497 1.873 20 30 FDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332409587 259264503 /nfs/dbraw/zinc/26/45/03/259264503.db2.gz ZQTQTZGACVIROX-OXQOHEQNSA-N 2 2 370.497 1.873 20 30 FDEDLP COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274993 260330677 /nfs/dbraw/zinc/33/06/77/260330677.db2.gz UMRXZLGVWBUFNQ-MRXNPFEDSA-N 2 2 372.469 1.230 20 30 FDEDLP COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274993 260330678 /nfs/dbraw/zinc/33/06/78/260330678.db2.gz UMRXZLGVWBUFNQ-MRXNPFEDSA-N 2 2 372.469 1.230 20 30 FDEDLP C[NH+]=C(NC[C@@H](c1cccs1)[NH+](C)C)N1CCN(c2ncccn2)CC1 ZINC000073447278 522529664 /nfs/dbraw/zinc/52/96/64/522529664.db2.gz UNWKGESSINVVKN-HNNXBMFYSA-N 2 2 373.530 1.538 20 30 FDEDLP CC(C)c1noc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000172413084 524219092 /nfs/dbraw/zinc/21/90/92/524219092.db2.gz GYPMXPOEABEBIK-UHFFFAOYSA-N 2 2 373.457 1.987 20 30 FDEDLP C=CC[NH+](CC=C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000114723834 524861354 /nfs/dbraw/zinc/86/13/54/524861354.db2.gz VCTOIHQPNUZKMH-UHFFFAOYSA-N 2 2 355.482 1.940 20 30 FDEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821062 525003616 /nfs/dbraw/zinc/00/36/16/525003616.db2.gz YQNUGGKVYPOMTO-LPHOPBHVSA-N 2 2 356.470 1.716 20 30 FDEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821062 525003630 /nfs/dbraw/zinc/00/36/30/525003630.db2.gz YQNUGGKVYPOMTO-LPHOPBHVSA-N 2 2 356.470 1.716 20 30 FDEDLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000115739234 525056251 /nfs/dbraw/zinc/05/62/51/525056251.db2.gz DOEJSPGWKOZOPD-IBGZPJMESA-N 2 2 361.486 1.271 20 30 FDEDLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000115739234 525056262 /nfs/dbraw/zinc/05/62/62/525056262.db2.gz DOEJSPGWKOZOPD-IBGZPJMESA-N 2 2 361.486 1.271 20 30 FDEDLP NC(=[NH+]OCc1nnnn1C1CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000101540824 525226121 /nfs/dbraw/zinc/22/61/21/525226121.db2.gz KIBFVSHDRWEFBK-UHFFFAOYSA-N 2 2 355.446 1.831 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000162567411 525278956 /nfs/dbraw/zinc/27/89/56/525278956.db2.gz BUPYYHVOILPVSQ-LJQANCHMSA-N 2 2 356.470 1.566 20 30 FDEDLP COc1ccc(NC(=[NH2+])NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000104178565 525397595 /nfs/dbraw/zinc/39/75/95/525397595.db2.gz UQVMWWZNCSUYJH-KRWDZBQOSA-N 2 2 350.488 1.630 20 30 FDEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000119022150 525610694 /nfs/dbraw/zinc/61/06/94/525610694.db2.gz LIVQQFKJWGBFJP-INIZCTEOSA-N 2 2 356.474 1.415 20 30 FDEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000119022150 525610705 /nfs/dbraw/zinc/61/07/05/525610705.db2.gz LIVQQFKJWGBFJP-INIZCTEOSA-N 2 2 356.474 1.415 20 30 FDEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181042887 525796861 /nfs/dbraw/zinc/79/68/61/525796861.db2.gz QXNNDGRSIDGMJW-HKUYNNGSSA-N 2 2 371.481 1.282 20 30 FDEDLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000182107258 526058109 /nfs/dbraw/zinc/05/81/09/526058109.db2.gz GYYQRIDKAYSECJ-UXHICEINSA-N 2 2 370.497 1.748 20 30 FDEDLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)cn1 ZINC000329924400 537646668 /nfs/dbraw/zinc/64/66/68/537646668.db2.gz UZYULXWDADWLQG-UXLLHSPISA-N 2 2 364.469 1.073 20 30 FDEDLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)cn1 ZINC000329924400 537646672 /nfs/dbraw/zinc/64/66/72/537646672.db2.gz UZYULXWDADWLQG-UXLLHSPISA-N 2 2 364.469 1.073 20 30 FDEDLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000329924400 537646675 /nfs/dbraw/zinc/64/66/75/537646675.db2.gz UZYULXWDADWLQG-UXLLHSPISA-N 2 2 364.469 1.073 20 30 FDEDLP C#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000285637192 537739827 /nfs/dbraw/zinc/73/98/27/537739827.db2.gz XONBUVZQABKHQL-YQQQUEKLSA-N 2 2 355.482 1.872 20 30 FDEDLP C#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000285637192 537739828 /nfs/dbraw/zinc/73/98/28/537739828.db2.gz XONBUVZQABKHQL-YQQQUEKLSA-N 2 2 355.482 1.872 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C#N)n3)CC2)CC1 ZINC000566067154 547587297 /nfs/dbraw/zinc/58/72/97/547587297.db2.gz KBWGWEQNUFGTCH-UHFFFAOYSA-N 2 2 356.474 1.977 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C#N)n3)CC2)CC1 ZINC000566067154 547587299 /nfs/dbraw/zinc/58/72/99/547587299.db2.gz KBWGWEQNUFGTCH-UHFFFAOYSA-N 2 2 356.474 1.977 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000568753334 548665690 /nfs/dbraw/zinc/66/56/90/548665690.db2.gz OLDIYMBUMBVTJW-CRAIPNDOSA-N 2 2 357.458 1.924 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000568753334 548665696 /nfs/dbraw/zinc/66/56/96/548665696.db2.gz OLDIYMBUMBVTJW-CRAIPNDOSA-N 2 2 357.458 1.924 20 30 FDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000570446004 549281920 /nfs/dbraw/zinc/28/19/20/549281920.db2.gz KEXDUXVVRROPTD-KRWDZBQOSA-N 2 2 364.877 1.884 20 30 FDEDLP CC[NH+]1CCN(c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2F)CC1 ZINC000576521881 550558644 /nfs/dbraw/zinc/55/86/44/550558644.db2.gz UJFUJSFVPPHIAW-LJQANCHMSA-N 2 2 361.465 1.541 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000582516425 551235165 /nfs/dbraw/zinc/23/51/65/551235165.db2.gz GFUPJDMZDUPGEV-UHFFFAOYSA-N 2 2 358.486 1.684 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000589586331 551737075 /nfs/dbraw/zinc/73/70/75/551737075.db2.gz AWXCUBTXQMDYOR-UHFFFAOYSA-N 2 2 371.466 1.700 20 30 FDEDLP Cc1ncc(S(=O)(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C#N ZINC000589976282 551754578 /nfs/dbraw/zinc/75/45/78/551754578.db2.gz YXBDWUZKOMZXON-UHFFFAOYSA-N 2 2 372.454 1.209 20 30 FDEDLP C[C@H]1C[N@H+](CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCO1 ZINC000591763559 551907006 /nfs/dbraw/zinc/90/70/06/551907006.db2.gz FBUQTXLDXCDBSK-INIZCTEOSA-N 2 2 365.499 1.422 20 30 FDEDLP C[C@H]1C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCO1 ZINC000591763559 551907007 /nfs/dbraw/zinc/90/70/07/551907007.db2.gz FBUQTXLDXCDBSK-INIZCTEOSA-N 2 2 365.499 1.422 20 30 FDEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592146160 551949237 /nfs/dbraw/zinc/94/92/37/551949237.db2.gz FGGPGOZIGAPPSI-NRFANRHFSA-N 2 2 370.497 1.426 20 30 FDEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592146160 551949238 /nfs/dbraw/zinc/94/92/38/551949238.db2.gz FGGPGOZIGAPPSI-NRFANRHFSA-N 2 2 370.497 1.426 20 30 FDEDLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150656 551950700 /nfs/dbraw/zinc/95/07/00/551950700.db2.gz FXSYFMGHJXMLEZ-KPFFTGBYSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150656 551950702 /nfs/dbraw/zinc/95/07/02/551950702.db2.gz FXSYFMGHJXMLEZ-KPFFTGBYSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](O)(CC#N)C1 ZINC000592150656 551950703 /nfs/dbraw/zinc/95/07/03/551950703.db2.gz FXSYFMGHJXMLEZ-KPFFTGBYSA-N 2 2 356.470 1.116 20 30 FDEDLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](O)(CC#N)C1 ZINC000592150656 551950705 /nfs/dbraw/zinc/95/07/05/551950705.db2.gz FXSYFMGHJXMLEZ-KPFFTGBYSA-N 2 2 356.470 1.116 20 30 FDEDLP COC(=O)CN1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593703746 552177805 /nfs/dbraw/zinc/17/78/05/552177805.db2.gz WIIJFBMDAXKIIW-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000594000420 552236427 /nfs/dbraw/zinc/23/64/27/552236427.db2.gz VKVJZUUGYIOJAG-SFHVURJKSA-N 2 2 361.486 1.317 20 30 FDEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c[nH+]2)C[C@@H](C)O1 ZINC000594440940 552310844 /nfs/dbraw/zinc/31/08/44/552310844.db2.gz JPVZQXOUIUPCGG-BFYDXBDKSA-N 2 2 359.474 1.723 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000602545777 553603645 /nfs/dbraw/zinc/60/36/45/553603645.db2.gz PUCLIMGTAGIZFI-QZTJIDSGSA-N 2 2 350.507 1.081 20 30 FDEDLP C[C@@H]1C[NH+](C/C=C/C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@@H](C)N1CC#N ZINC000602847404 553650260 /nfs/dbraw/zinc/65/02/60/553650260.db2.gz BBDAPSDMMULINR-ZFTSPJNCSA-N 2 2 358.534 1.379 20 30 FDEDLP C[C@@H]1C[NH+](C/C=C/C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@@H](C)N1CC#N ZINC000602847404 553650261 /nfs/dbraw/zinc/65/02/61/553650261.db2.gz BBDAPSDMMULINR-ZFTSPJNCSA-N 2 2 358.534 1.379 20 30 FDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)c2cc1C ZINC000602858602 553652559 /nfs/dbraw/zinc/65/25/59/553652559.db2.gz TXACLVYWSJWLRE-KZNAEPCWSA-N 2 2 355.486 1.932 20 30 FDEDLP C[NH+]1CCC(CNC(=O)N2CC[C@](F)(C#N)C2)([NH+]2CCCCC2)CC1 ZINC000615591187 555217155 /nfs/dbraw/zinc/21/71/55/555217155.db2.gz HKFZNPIBCJNFOC-KRWDZBQOSA-N 2 2 351.470 1.584 20 30 FDEDLP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1C[N@H+](C)CCO1 ZINC000262551675 672806315 /nfs/dbraw/zinc/80/63/15/672806315.db2.gz TZEYYNQUHXNSHU-VIFPVBQESA-N 2 2 351.398 1.158 20 30 FDEDLP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1C[N@@H+](C)CCO1 ZINC000262551675 672806319 /nfs/dbraw/zinc/80/63/19/672806319.db2.gz TZEYYNQUHXNSHU-VIFPVBQESA-N 2 2 351.398 1.158 20 30 FDEDLP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969956781 771124888 /nfs/dbraw/zinc/12/48/88/771124888.db2.gz ABWMEAISNZTOAU-FUHIMQAGSA-N 2 2 355.482 1.194 20 30 FDEDLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969956781 771124900 /nfs/dbraw/zinc/12/49/00/771124900.db2.gz ABWMEAISNZTOAU-FUHIMQAGSA-N 2 2 355.482 1.194 20 30 FDEDLP CC[NH+]=C(NCC1(CO)CCOCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261945149 778011408 /nfs/dbraw/zinc/01/14/08/778011408.db2.gz FRVOKJKUUZOQCW-DLBZAZTESA-N 2 2 363.506 1.521 20 30 FDEDLP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083247965 783426199 /nfs/dbraw/zinc/42/61/99/783426199.db2.gz LTJHBMLYVFSZDF-PCCBWWKXSA-N 2 2 367.493 1.292 20 30 FDEDLP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083247965 783426201 /nfs/dbraw/zinc/42/62/01/783426201.db2.gz LTJHBMLYVFSZDF-PCCBWWKXSA-N 2 2 367.493 1.292 20 30 FDEDLP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083247965 783426204 /nfs/dbraw/zinc/42/62/04/783426204.db2.gz LTJHBMLYVFSZDF-PCCBWWKXSA-N 2 2 367.493 1.292 20 30 FDEDLP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083247965 783426206 /nfs/dbraw/zinc/42/62/06/783426206.db2.gz LTJHBMLYVFSZDF-PCCBWWKXSA-N 2 2 367.493 1.292 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000377909904 793030326 /nfs/dbraw/zinc/03/03/26/793030326.db2.gz MFZVHTSJLKUPBL-HXUWFJFHSA-N 2 2 369.513 1.276 20 30 FDEDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000377909904 793030343 /nfs/dbraw/zinc/03/03/43/793030343.db2.gz MFZVHTSJLKUPBL-HXUWFJFHSA-N 2 2 369.513 1.276 20 30 FDEDLP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954998 794554530 /nfs/dbraw/zinc/55/45/30/794554530.db2.gz DBYZKAZKJKMCSS-VNQPRFMTSA-N 2 2 361.490 1.026 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000418418078 795895049 /nfs/dbraw/zinc/89/50/49/795895049.db2.gz VWNBPICVESVRBG-MOPGFXCFSA-N 2 2 355.486 1.903 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001087430694 807135496 /nfs/dbraw/zinc/13/54/96/807135496.db2.gz CQHUJRKHGHHEPA-VBSBHUPXSA-N 2 2 357.498 1.866 20 30 FDEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001087430694 807135497 /nfs/dbraw/zinc/13/54/97/807135497.db2.gz CQHUJRKHGHHEPA-VBSBHUPXSA-N 2 2 357.498 1.866 20 30 FDEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001087430694 807135500 /nfs/dbraw/zinc/13/55/00/807135500.db2.gz CQHUJRKHGHHEPA-VBSBHUPXSA-N 2 2 357.498 1.866 20 30 FDEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001112532062 807207822 /nfs/dbraw/zinc/20/78/22/807207822.db2.gz FYRSDILFORTQAD-OOSNJVJTSA-N 2 2 370.497 1.392 20 30 FDEDLP C[C@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000262254693 811424337 /nfs/dbraw/zinc/42/43/37/811424337.db2.gz CKZDLFYQYCMPAT-RDJZCZTQSA-N 2 2 360.506 1.742 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C)c3[nH+]cccc32)C1 ZINC000328864059 819569733 /nfs/dbraw/zinc/56/97/33/819569733.db2.gz BIDLVROIFFIOLU-INIZCTEOSA-N 2 2 361.490 1.651 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C)c3[nH+]cccc32)C1 ZINC000328864059 819569739 /nfs/dbraw/zinc/56/97/39/819569739.db2.gz BIDLVROIFFIOLU-INIZCTEOSA-N 2 2 361.490 1.651 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2CC)C1=O ZINC001087810749 822469900 /nfs/dbraw/zinc/46/99/00/822469900.db2.gz KEYJTXMQFZROAA-USXIJHARSA-N 2 2 359.474 1.017 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2CC)C1=O ZINC001087810749 822469902 /nfs/dbraw/zinc/46/99/02/822469902.db2.gz KEYJTXMQFZROAA-USXIJHARSA-N 2 2 359.474 1.017 20 30 FDEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)c1 ZINC001088121083 826485784 /nfs/dbraw/zinc/48/57/84/826485784.db2.gz NSVVYGRPDHAQKE-WBVHZDCISA-N 2 2 367.428 1.943 20 30 FDEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)c1 ZINC001088121083 826485786 /nfs/dbraw/zinc/48/57/86/826485786.db2.gz NSVVYGRPDHAQKE-WBVHZDCISA-N 2 2 367.428 1.943 20 30 FDEDLP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001105439835 832388157 /nfs/dbraw/zinc/38/81/57/832388157.db2.gz PCJGNYLFVSQWFP-YXTQBTIXSA-N 2 2 362.477 1.963 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083456429 837344696 /nfs/dbraw/zinc/34/46/96/837344696.db2.gz ULKOEDMWIABVQC-QYZOEREBSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083456429 837344711 /nfs/dbraw/zinc/34/47/11/837344711.db2.gz ULKOEDMWIABVQC-QYZOEREBSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083456429 837344722 /nfs/dbraw/zinc/34/47/22/837344722.db2.gz ULKOEDMWIABVQC-QYZOEREBSA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083456429 837344732 /nfs/dbraw/zinc/34/47/32/837344732.db2.gz ULKOEDMWIABVQC-QYZOEREBSA-N 2 2 356.470 1.092 20 30 FDEDLP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC001105482019 839772501 /nfs/dbraw/zinc/77/25/01/839772501.db2.gz PQKHCTKHKXSUMS-BKVYSMKUSA-N 2 2 370.497 1.677 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637877 842274467 /nfs/dbraw/zinc/27/44/67/842274467.db2.gz WTWIKJYORWSONG-LFGUQSLTSA-N 2 2 358.486 1.332 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637877 842274474 /nfs/dbraw/zinc/27/44/74/842274474.db2.gz WTWIKJYORWSONG-LFGUQSLTSA-N 2 2 358.486 1.332 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088749714 842884830 /nfs/dbraw/zinc/88/48/30/842884830.db2.gz KSZSTVWQGODPGR-QAPCUYQASA-N 2 2 367.453 1.851 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088749714 842884842 /nfs/dbraw/zinc/88/48/42/842884842.db2.gz KSZSTVWQGODPGR-QAPCUYQASA-N 2 2 367.453 1.851 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474330 843427359 /nfs/dbraw/zinc/42/73/59/843427359.db2.gz ASTGVRNDYBCNAH-AITUJVMLSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083474330 843427381 /nfs/dbraw/zinc/42/73/81/843427381.db2.gz ASTGVRNDYBCNAH-AITUJVMLSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474330 843427399 /nfs/dbraw/zinc/42/73/99/843427399.db2.gz ASTGVRNDYBCNAH-AITUJVMLSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474330 843427417 /nfs/dbraw/zinc/42/74/17/843427417.db2.gz ASTGVRNDYBCNAH-AITUJVMLSA-N 2 2 374.460 1.089 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000245915575 845086474 /nfs/dbraw/zinc/08/64/74/845086474.db2.gz KUPSMAKQHVPQNI-MSOLQXFVSA-N 2 2 361.534 1.429 20 30 FDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000245915575 845086482 /nfs/dbraw/zinc/08/64/82/845086482.db2.gz KUPSMAKQHVPQNI-MSOLQXFVSA-N 2 2 361.534 1.429 20 30 FDEDLP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)c1 ZINC001077444081 861568552 /nfs/dbraw/zinc/56/85/52/861568552.db2.gz JWWIMSLRVDKLOI-VAMGGRTRSA-N 2 2 368.481 1.094 20 30 FDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)c1 ZINC001077444081 861568558 /nfs/dbraw/zinc/56/85/58/861568558.db2.gz JWWIMSLRVDKLOI-VAMGGRTRSA-N 2 2 368.481 1.094 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001076517754 848314263 /nfs/dbraw/zinc/31/42/63/848314263.db2.gz VVAIFRHUNTYQNZ-AZUAARDMSA-N 2 2 363.465 1.957 20 30 FDEDLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001076517754 848314271 /nfs/dbraw/zinc/31/42/71/848314271.db2.gz VVAIFRHUNTYQNZ-AZUAARDMSA-N 2 2 363.465 1.957 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001076574212 848449047 /nfs/dbraw/zinc/44/90/47/848449047.db2.gz ASYREYCCAJCVJA-PKOBYXMFSA-N 2 2 367.428 1.935 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001076574212 848449053 /nfs/dbraw/zinc/44/90/53/848449053.db2.gz ASYREYCCAJCVJA-PKOBYXMFSA-N 2 2 367.428 1.935 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O ZINC001077132181 849861078 /nfs/dbraw/zinc/86/10/78/849861078.db2.gz REVPWTINEANVJL-PWRODBHTSA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O ZINC001077132181 849861083 /nfs/dbraw/zinc/86/10/83/849861083.db2.gz REVPWTINEANVJL-PWRODBHTSA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077132181 849861088 /nfs/dbraw/zinc/86/10/88/849861088.db2.gz REVPWTINEANVJL-PWRODBHTSA-N 2 2 369.509 1.462 20 30 FDEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077132181 849861093 /nfs/dbraw/zinc/86/10/93/849861093.db2.gz REVPWTINEANVJL-PWRODBHTSA-N 2 2 369.509 1.462 20 30 FDEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000486020339 853379538 /nfs/dbraw/zinc/37/95/38/853379538.db2.gz RBTXZAGPJMHMNU-KRWDZBQOSA-N 2 2 359.470 1.656 20 30 FDEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000486020339 853379543 /nfs/dbraw/zinc/37/95/43/853379543.db2.gz RBTXZAGPJMHMNU-KRWDZBQOSA-N 2 2 359.470 1.656 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)cs3)[C@@H]2C)CC1 ZINC001089059823 866388482 /nfs/dbraw/zinc/38/84/82/866388482.db2.gz DETGSTUJYPGCKP-WBVHZDCISA-N 2 2 360.527 1.876 20 30 FDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153682 871466106 /nfs/dbraw/zinc/46/61/06/871466106.db2.gz OGZPQZYDEOGVMB-IAGOWNOFSA-N 2 2 360.502 1.649 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001129084342 885710542 /nfs/dbraw/zinc/71/05/42/885710542.db2.gz IAXOFCLJLGLFFB-JQHSSLGASA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001129084342 885710557 /nfs/dbraw/zinc/71/05/57/885710557.db2.gz IAXOFCLJLGLFFB-JQHSSLGASA-N 2 2 369.473 1.045 20 30 FDEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)CC2 ZINC001035708091 886343320 /nfs/dbraw/zinc/34/33/20/886343320.db2.gz BJEXQLGKVPRDCY-QZTJIDSGSA-N 2 2 352.482 1.712 20 30 FDEDLP C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638388 894353763 /nfs/dbraw/zinc/35/37/63/894353763.db2.gz PDJVSYBZHZEXHV-QGZVFWFLSA-N 2 2 364.534 1.476 20 30 FDEDLP C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638388 894353806 /nfs/dbraw/zinc/35/38/06/894353806.db2.gz PDJVSYBZHZEXHV-QGZVFWFLSA-N 2 2 364.534 1.476 20 30 FDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089958622 897296897 /nfs/dbraw/zinc/29/68/97/897296897.db2.gz DSYZTKYIICQBPW-KZNAEPCWSA-N 2 2 370.497 1.534 20 30 FDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089958622 897296911 /nfs/dbraw/zinc/29/69/11/897296911.db2.gz DSYZTKYIICQBPW-KZNAEPCWSA-N 2 2 370.497 1.534 20 30 FDEDLP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079138231 902019939 /nfs/dbraw/zinc/01/99/39/902019939.db2.gz URVFDMSGUWMLHR-XUVXKRRUSA-N 2 2 357.498 1.731 20 30 FDEDLP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001079138231 902019951 /nfs/dbraw/zinc/01/99/51/902019951.db2.gz URVFDMSGUWMLHR-XUVXKRRUSA-N 2 2 357.498 1.731 20 30 FDEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079138231 902019960 /nfs/dbraw/zinc/01/99/60/902019960.db2.gz URVFDMSGUWMLHR-XUVXKRRUSA-N 2 2 357.498 1.731 20 30 FDEDLP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079138231 902019968 /nfs/dbraw/zinc/01/99/68/902019968.db2.gz URVFDMSGUWMLHR-XUVXKRRUSA-N 2 2 357.498 1.731 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248116 902263233 /nfs/dbraw/zinc/26/32/33/902263233.db2.gz ISZUFXCEHLCBRF-OKZBNKHCSA-N 2 2 368.481 1.018 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248443 902265822 /nfs/dbraw/zinc/26/58/22/902265822.db2.gz ZKXUFTGWEUGCDX-FGTMMUONSA-N 2 2 368.481 1.018 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248444 902265999 /nfs/dbraw/zinc/26/59/99/902265999.db2.gz ZKXUFTGWEUGCDX-OKZBNKHCSA-N 2 2 368.481 1.018 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1ccccc1F ZINC001079300666 902347542 /nfs/dbraw/zinc/34/75/42/902347542.db2.gz RSUTVPNYLJEMSL-VDZJLULYSA-N 2 2 366.440 1.802 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1C ZINC001079878107 903601018 /nfs/dbraw/zinc/60/10/18/903601018.db2.gz GLVFSSXVRUOIID-OIISXLGYSA-N 2 2 360.527 1.528 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1C ZINC001079878107 903601020 /nfs/dbraw/zinc/60/10/20/903601020.db2.gz GLVFSSXVRUOIID-OIISXLGYSA-N 2 2 360.527 1.528 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1C ZINC001079878107 903601022 /nfs/dbraw/zinc/60/10/22/903601022.db2.gz GLVFSSXVRUOIID-OIISXLGYSA-N 2 2 360.527 1.528 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1C ZINC001079878107 903601024 /nfs/dbraw/zinc/60/10/24/903601024.db2.gz GLVFSSXVRUOIID-OIISXLGYSA-N 2 2 360.527 1.528 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991839 903826035 /nfs/dbraw/zinc/82/60/35/903826035.db2.gz TZQSVYPQWWIIGD-ATZDWAIDSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991839 903826045 /nfs/dbraw/zinc/82/60/45/903826045.db2.gz TZQSVYPQWWIIGD-ATZDWAIDSA-N 2 2 363.465 1.954 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1OC ZINC001081807348 905127190 /nfs/dbraw/zinc/12/71/90/905127190.db2.gz KNVWPIRECUIEER-HSALFYBXSA-N 2 2 355.482 1.408 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1OC ZINC001081807348 905127199 /nfs/dbraw/zinc/12/71/99/905127199.db2.gz KNVWPIRECUIEER-HSALFYBXSA-N 2 2 355.482 1.408 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C)c2)C[C@H]1OC ZINC001081807348 905127206 /nfs/dbraw/zinc/12/72/06/905127206.db2.gz KNVWPIRECUIEER-HSALFYBXSA-N 2 2 355.482 1.408 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C)c2)C[C@H]1OC ZINC001081807348 905127210 /nfs/dbraw/zinc/12/72/10/905127210.db2.gz KNVWPIRECUIEER-HSALFYBXSA-N 2 2 355.482 1.408 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377231 905282303 /nfs/dbraw/zinc/28/23/03/905282303.db2.gz HFGWLVILKWGFOA-AUUYWEPGSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377231 905282319 /nfs/dbraw/zinc/28/23/19/905282319.db2.gz HFGWLVILKWGFOA-AUUYWEPGSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080446251 905448066 /nfs/dbraw/zinc/44/80/66/905448066.db2.gz FQWMAXAUPQGBEY-QMTMVMCOSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080446251 905448079 /nfs/dbraw/zinc/44/80/79/905448079.db2.gz FQWMAXAUPQGBEY-QMTMVMCOSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446251 905448093 /nfs/dbraw/zinc/44/80/93/905448093.db2.gz FQWMAXAUPQGBEY-QMTMVMCOSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446251 905448100 /nfs/dbraw/zinc/44/81/00/905448100.db2.gz FQWMAXAUPQGBEY-QMTMVMCOSA-N 2 2 358.461 1.976 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082134971 905940610 /nfs/dbraw/zinc/94/06/10/905940610.db2.gz KBCZUJOEBCWZAX-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082134971 905940614 /nfs/dbraw/zinc/94/06/14/905940614.db2.gz KBCZUJOEBCWZAX-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082134971 905940625 /nfs/dbraw/zinc/94/06/25/905940625.db2.gz KBCZUJOEBCWZAX-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082134971 905940629 /nfs/dbraw/zinc/94/06/29/905940629.db2.gz KBCZUJOEBCWZAX-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080979080 906842287 /nfs/dbraw/zinc/84/22/87/906842287.db2.gz AVMJEINGPWMPSW-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080979080 906842297 /nfs/dbraw/zinc/84/22/97/906842297.db2.gz AVMJEINGPWMPSW-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080979080 906842308 /nfs/dbraw/zinc/84/23/08/906842308.db2.gz AVMJEINGPWMPSW-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080979080 906842317 /nfs/dbraw/zinc/84/23/17/906842317.db2.gz AVMJEINGPWMPSW-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]2C)CC1 ZINC001080997622 906970834 /nfs/dbraw/zinc/97/08/34/906970834.db2.gz HCRQXFPDDPJCHT-RDTXWAMCSA-N 2 2 358.486 1.573 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]2C)CC1 ZINC001080997622 906970845 /nfs/dbraw/zinc/97/08/45/906970845.db2.gz HCRQXFPDDPJCHT-RDTXWAMCSA-N 2 2 358.486 1.573 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001082657107 909418501 /nfs/dbraw/zinc/41/85/01/909418501.db2.gz JTZOMCPYUZHCBV-DZUCGIPZSA-N 2 2 371.909 1.055 20 30 FDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001082751280 909996998 /nfs/dbraw/zinc/99/69/98/909996998.db2.gz RUQSBFUAYFSTBB-FMKGYKFTSA-N 2 2 367.291 1.869 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082767396 910066065 /nfs/dbraw/zinc/06/60/65/910066065.db2.gz RMAHFIVJHHOLTP-RDTXWAMCSA-N 2 2 353.426 1.491 20 30 FDEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082893142 910743141 /nfs/dbraw/zinc/74/31/41/910743141.db2.gz OUXHXLHIQQWRSJ-CXAGYDPISA-N 2 2 357.483 1.923 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001082957777 911142151 /nfs/dbraw/zinc/14/21/51/911142151.db2.gz JKHBRZBXUWPHHX-RHSMWYFYSA-N 2 2 353.426 1.400 20 30 FDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946440 918660281 /nfs/dbraw/zinc/66/02/81/918660281.db2.gz LJBOCAJHURJONR-LZQZEXGQSA-N 2 2 355.486 1.736 20 30 FDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946440 918660293 /nfs/dbraw/zinc/66/02/93/918660293.db2.gz LJBOCAJHURJONR-LZQZEXGQSA-N 2 2 355.486 1.736 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946440 918660296 /nfs/dbraw/zinc/66/02/96/918660296.db2.gz LJBOCAJHURJONR-LZQZEXGQSA-N 2 2 355.486 1.736 20 30 FDEDLP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946440 918660308 /nfs/dbraw/zinc/66/03/08/918660308.db2.gz LJBOCAJHURJONR-LZQZEXGQSA-N 2 2 355.486 1.736 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cccnc3)[C@H]2C1 ZINC001084961136 918907022 /nfs/dbraw/zinc/90/70/22/918907022.db2.gz NCWAZKUSPYHPIL-AABGKKOBSA-N 2 2 352.482 1.602 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cccnc3)[C@H]2C1 ZINC001084961136 918907025 /nfs/dbraw/zinc/90/70/25/918907025.db2.gz NCWAZKUSPYHPIL-AABGKKOBSA-N 2 2 352.482 1.602 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccnc3)[C@H]2C1 ZINC001084961136 918907026 /nfs/dbraw/zinc/90/70/26/918907026.db2.gz NCWAZKUSPYHPIL-AABGKKOBSA-N 2 2 352.482 1.602 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cccnc3)[C@H]2C1 ZINC001084961136 918907038 /nfs/dbraw/zinc/90/70/38/918907038.db2.gz NCWAZKUSPYHPIL-AABGKKOBSA-N 2 2 352.482 1.602 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000741699614 925833939 /nfs/dbraw/zinc/83/39/39/925833939.db2.gz VDJHYQHWESFFQV-QUCCMNQESA-N 2 2 354.498 1.411 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000741699614 925833945 /nfs/dbraw/zinc/83/39/45/925833945.db2.gz VDJHYQHWESFFQV-QUCCMNQESA-N 2 2 354.498 1.411 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129902299 938560973 /nfs/dbraw/zinc/56/09/73/938560973.db2.gz CTVIQSDUMVZTHN-SQNIBIBYSA-N 2 2 371.489 1.680 20 30 FDEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)CCC)n[nH]2)O1 ZINC001130815919 940217496 /nfs/dbraw/zinc/21/74/96/940217496.db2.gz HCGBYRQEUGQIIW-LSDHHAIUSA-N 2 2 364.494 1.149 20 30 FDEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)CCC)n[nH]2)O1 ZINC001130815919 940217503 /nfs/dbraw/zinc/21/75/03/940217503.db2.gz HCGBYRQEUGQIIW-LSDHHAIUSA-N 2 2 364.494 1.149 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131108250 940502605 /nfs/dbraw/zinc/50/26/05/940502605.db2.gz NRYHGDGVBRBNAY-KBAYOESNSA-N 2 2 370.501 1.635 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131136391 940513491 /nfs/dbraw/zinc/51/34/91/940513491.db2.gz LDCVUYIBLONABO-IAGOWNOFSA-N 2 2 356.474 1.557 20 30 FDEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001131599685 940783036 /nfs/dbraw/zinc/78/30/36/940783036.db2.gz HFZNBAPVIUGDHV-QUCCMNQESA-N 2 2 358.486 1.362 20 30 FDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613958 940793219 /nfs/dbraw/zinc/79/32/19/940793219.db2.gz TUERLONBGPFVTL-MSOLQXFVSA-N 2 2 353.507 1.318 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000818599385 943327419 /nfs/dbraw/zinc/32/74/19/943327419.db2.gz NJSNOLVXVKIIPK-QGZVFWFLSA-N 2 2 360.477 1.408 20 30 FDEDLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196199133 971532726 /nfs/dbraw/zinc/53/27/26/971532726.db2.gz CGNKQIBHWOCQKP-RTBURBONSA-N 2 2 357.498 1.177 20 30 FDEDLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196199133 971532734 /nfs/dbraw/zinc/53/27/34/971532734.db2.gz CGNKQIBHWOCQKP-RTBURBONSA-N 2 2 357.498 1.177 20 30 FDEDLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196199133 971532740 /nfs/dbraw/zinc/53/27/40/971532740.db2.gz CGNKQIBHWOCQKP-RTBURBONSA-N 2 2 357.498 1.177 20 30 FDEDLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196199133 971532744 /nfs/dbraw/zinc/53/27/44/971532744.db2.gz CGNKQIBHWOCQKP-RTBURBONSA-N 2 2 357.498 1.177 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@@]3(C)C2)CC1 ZINC001092300027 954748000 /nfs/dbraw/zinc/74/80/00/954748000.db2.gz PMMUSSSWUKHPIV-XLIONFOSSA-N 2 2 371.485 1.004 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C)no4)C[C@@]3(C)C2)CC1 ZINC001092300027 954748013 /nfs/dbraw/zinc/74/80/13/954748013.db2.gz PMMUSSSWUKHPIV-XLIONFOSSA-N 2 2 371.485 1.004 20 30 FDEDLP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C(C)C)C[C@H]1O ZINC001093460024 958185909 /nfs/dbraw/zinc/18/59/09/958185909.db2.gz XKGRXMVUFYFZRM-WELBPKCISA-N 2 2 366.465 1.547 20 30 FDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001093466121 958208101 /nfs/dbraw/zinc/20/81/01/958208101.db2.gz LNQGYVUSCAFMPE-LMSBXDPUSA-N 2 2 366.893 1.671 20 30 FDEDLP C[NH+]1CCC(CO)([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173428717 962144033 /nfs/dbraw/zinc/14/40/33/962144033.db2.gz JMPORMZZSWQQQM-UHFFFAOYSA-N 2 2 356.470 1.209 20 30 FDEDLP CC#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198777087 973511172 /nfs/dbraw/zinc/51/11/72/973511172.db2.gz WWBVQFPXFDPLEE-SZVBFZGTSA-N 2 2 359.470 1.185 20 30 FDEDLP CC#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198777087 973511178 /nfs/dbraw/zinc/51/11/78/973511178.db2.gz WWBVQFPXFDPLEE-SZVBFZGTSA-N 2 2 359.470 1.185 20 30 FDEDLP CCNS(=O)(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776163122 975026343 /nfs/dbraw/zinc/02/63/43/975026343.db2.gz DQJKUXCIDBKZCZ-UHFFFAOYSA-N 2 2 350.488 1.052 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000884088238 982847441 /nfs/dbraw/zinc/84/74/41/982847441.db2.gz COKURZPGNVKPFB-KRWDZBQOSA-N 2 2 352.442 1.473 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000884088238 982847454 /nfs/dbraw/zinc/84/74/54/982847454.db2.gz COKURZPGNVKPFB-KRWDZBQOSA-N 2 2 352.442 1.473 20 30 FDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cc[nH+]c(N3CCCCC3)c1)C2 ZINC000884183423 982959590 /nfs/dbraw/zinc/95/95/90/982959590.db2.gz MRIARUUYBZASEG-OHTSDLOESA-N 2 2 353.470 1.827 20 30 FDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COc3cccc(C#N)c3)c2)CC1 ZINC000870668206 986215373 /nfs/dbraw/zinc/21/53/73/986215373.db2.gz RPNAQGWLEIMIFG-UHFFFAOYSA-N 2 2 351.410 1.723 20 30 FDEDLP CC(C)(C)OC(=O)N1CCN2C(NCc3c[nH+]c4n3CCCC4)=[NH+]C[C@@H]2C1 ZINC000370268325 989601462 /nfs/dbraw/zinc/60/14/62/989601462.db2.gz XMTZVTPLLPEVHV-OAHLLOKOSA-N 2 2 374.489 1.600 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000876759686 992882007 /nfs/dbraw/zinc/88/20/07/992882007.db2.gz QFBAGNYNIHHDDD-IAGOWNOFSA-N 2 2 351.878 1.516 20 30 FDEDLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876767787 992890891 /nfs/dbraw/zinc/89/08/91/992890891.db2.gz AJJTUHJKEMLTNM-IBGZPJMESA-N 2 2 356.470 1.314 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000877248295 993144277 /nfs/dbraw/zinc/14/42/77/993144277.db2.gz JQDHKEHAMCKMKK-IAGOWNOFSA-N 2 2 351.878 1.782 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000877248295 993144288 /nfs/dbraw/zinc/14/42/88/993144288.db2.gz JQDHKEHAMCKMKK-IAGOWNOFSA-N 2 2 351.878 1.782 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1nc(C)cc1C ZINC001095556463 993444863 /nfs/dbraw/zinc/44/48/63/993444863.db2.gz SHIBOBSLXQDLMJ-FYQPLNBISA-N 2 2 369.513 1.319 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1nc(C)cc1C ZINC001095556463 993444878 /nfs/dbraw/zinc/44/48/78/993444878.db2.gz SHIBOBSLXQDLMJ-FYQPLNBISA-N 2 2 369.513 1.319 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1nc(C)cc1C ZINC001095556463 993444887 /nfs/dbraw/zinc/44/48/87/993444887.db2.gz SHIBOBSLXQDLMJ-FYQPLNBISA-N 2 2 369.513 1.319 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1nc(C)cc1C ZINC001095556463 993444902 /nfs/dbraw/zinc/44/49/02/993444902.db2.gz SHIBOBSLXQDLMJ-FYQPLNBISA-N 2 2 369.513 1.319 20 30 FDEDLP N#Cc1cccc([C@H](NC(=O)NCC[NH+]2CCC([NH3+])CC2)C(F)(F)F)c1 ZINC000926190129 995969599 /nfs/dbraw/zinc/96/95/99/995969599.db2.gz TZDXBRJRKUJKKT-HNNXBMFYSA-N 2 2 369.391 1.884 20 30 FDEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1cccc(F)c1 ZINC000264072229 997395532 /nfs/dbraw/zinc/39/55/32/997395532.db2.gz GMFZTEGEPKTPGY-QGZVFWFLSA-N 2 2 371.464 1.355 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C#N)cn3)CC2)CC1 ZINC000889239741 998241481 /nfs/dbraw/zinc/24/14/81/998241481.db2.gz ZQDKUBUGABUGQS-UHFFFAOYSA-N 2 2 356.474 1.977 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C#N)cn3)CC2)CC1 ZINC000889239741 998241491 /nfs/dbraw/zinc/24/14/91/998241491.db2.gz ZQDKUBUGABUGQS-UHFFFAOYSA-N 2 2 356.474 1.977 20 30 FDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000284147501 999778260 /nfs/dbraw/zinc/77/82/60/999778260.db2.gz YVFWZVDCYBWBBU-IAGOWNOFSA-N 2 2 361.490 1.203 20 30 FDEDLP C#CC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000931141600 1003920957 /nfs/dbraw/zinc/92/09/57/1003920957.db2.gz BOHIIWPHGBTTQR-UHFFFAOYSA-N 2 2 355.482 1.099 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179733 1006658615 /nfs/dbraw/zinc/65/86/15/1006658615.db2.gz VPNFCTNOITUKNT-TVFCKZIOSA-N 2 2 362.518 1.131 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179733 1006658623 /nfs/dbraw/zinc/65/86/23/1006658623.db2.gz VPNFCTNOITUKNT-TVFCKZIOSA-N 2 2 362.518 1.131 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001111262594 1007329696 /nfs/dbraw/zinc/32/96/96/1007329696.db2.gz YNAQZVKKBHBGRY-YRXWBPOGSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001111262594 1007329709 /nfs/dbraw/zinc/32/97/09/1007329709.db2.gz YNAQZVKKBHBGRY-YRXWBPOGSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001111262594 1007329723 /nfs/dbraw/zinc/32/97/23/1007329723.db2.gz YNAQZVKKBHBGRY-YRXWBPOGSA-N 2 2 374.529 1.112 20 30 FDEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001111262594 1007329738 /nfs/dbraw/zinc/32/97/38/1007329738.db2.gz YNAQZVKKBHBGRY-YRXWBPOGSA-N 2 2 374.529 1.112 20 30 FDEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000530633595 540013229 /nfs/dbraw/zinc/01/32/29/540013229.db2.gz GJKVJARXYGDAAL-GOSISDBHSA-N 2 2 359.470 1.274 20 30 FDEDLP CN(C)c1nc(N2CC[NH+](CCOc3ccccc3C#N)CC2)cc[nH+]1 ZINC000533395202 540242205 /nfs/dbraw/zinc/24/22/05/540242205.db2.gz LEDSHGZJFJVMLX-UHFFFAOYSA-N 2 2 352.442 1.615 20 30 FDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000103492498 172368800 /nfs/dbraw/zinc/36/88/00/172368800.db2.gz MUSUCIZMCOJSEQ-UHFFFAOYSA-N 2 2 371.485 1.373 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131205966 173192905 /nfs/dbraw/zinc/19/29/05/173192905.db2.gz FUDXOWSUDWBHJT-SFHVURJKSA-N 2 2 351.454 1.908 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000181072069 174205824 /nfs/dbraw/zinc/20/58/24/174205824.db2.gz FGMUGYJOSVLSIN-UHFFFAOYSA-N 2 2 368.478 1.344 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000181072069 174205826 /nfs/dbraw/zinc/20/58/26/174205826.db2.gz FGMUGYJOSVLSIN-UHFFFAOYSA-N 2 2 368.478 1.344 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC#Cc1cccc(F)c1 ZINC000555212379 543926837 /nfs/dbraw/zinc/92/68/37/543926837.db2.gz WBIJTVAMBSRWHN-UHFFFAOYSA-N 2 2 360.477 1.845 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC#Cc1cccc(F)c1 ZINC000555212379 543926840 /nfs/dbraw/zinc/92/68/40/543926840.db2.gz WBIJTVAMBSRWHN-UHFFFAOYSA-N 2 2 360.477 1.845 20 30 FDEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000558273309 544406858 /nfs/dbraw/zinc/40/68/58/544406858.db2.gz LUNFMRLWNGSBOB-UHFFFAOYSA-N 2 2 369.450 1.675 20 30 FDEDLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccc(C#N)cc1 ZINC000378576992 262048961 /nfs/dbraw/zinc/04/89/61/262048961.db2.gz IOSLHQSOWCXFJT-APWZRJJASA-N 2 2 356.470 1.532 20 30 FDEDLP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C#N)cc1 ZINC000058397621 522254909 /nfs/dbraw/zinc/25/49/09/522254909.db2.gz HXTQHZNWPROBDR-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C#N)cc1 ZINC000058397621 522254919 /nfs/dbraw/zinc/25/49/19/522254919.db2.gz HXTQHZNWPROBDR-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP C#CCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000127245975 525399407 /nfs/dbraw/zinc/39/94/07/525399407.db2.gz NHQXALMYPJYGJA-UHFFFAOYSA-N 2 2 368.525 1.280 20 30 FDEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000178908153 525502823 /nfs/dbraw/zinc/50/28/23/525502823.db2.gz SFULQQAKMAKCQP-GOSISDBHSA-N 2 2 359.470 1.274 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N1CCO[C@@H](COC)C1 ZINC000179260948 525549483 /nfs/dbraw/zinc/54/94/83/525549483.db2.gz JSLLQLXDACLEJN-GOEBONIOSA-N 2 2 366.531 1.417 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N1CCO[C@@H](COC)C1 ZINC000179260948 525549487 /nfs/dbraw/zinc/54/94/87/525549487.db2.gz JSLLQLXDACLEJN-GOEBONIOSA-N 2 2 366.531 1.417 20 30 FDEDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000181978686 526007661 /nfs/dbraw/zinc/00/76/61/526007661.db2.gz MPEJMFFLYFBFRQ-SJLPKXTDSA-N 2 2 372.469 1.173 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000184985977 536194727 /nfs/dbraw/zinc/19/47/27/536194727.db2.gz KKSYRNNISVPGAB-UHFFFAOYSA-N 2 2 358.490 1.657 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248004076 537161918 /nfs/dbraw/zinc/16/19/18/537161918.db2.gz KQNIOSPFQIYYCP-RBUKOAKNSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248004076 537161921 /nfs/dbraw/zinc/16/19/21/537161921.db2.gz KQNIOSPFQIYYCP-RBUKOAKNSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248004076 537161922 /nfs/dbraw/zinc/16/19/22/537161922.db2.gz KQNIOSPFQIYYCP-RBUKOAKNSA-N 2 2 370.497 1.985 20 30 FDEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248004076 537161924 /nfs/dbraw/zinc/16/19/24/537161924.db2.gz KQNIOSPFQIYYCP-RBUKOAKNSA-N 2 2 370.497 1.985 20 30 FDEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC000364067777 537389075 /nfs/dbraw/zinc/38/90/75/537389075.db2.gz XTMVNZOVQILWNC-UHFFFAOYSA-N 2 2 364.534 1.172 20 30 FDEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC000364067777 537389084 /nfs/dbraw/zinc/38/90/84/537389084.db2.gz XTMVNZOVQILWNC-UHFFFAOYSA-N 2 2 364.534 1.172 20 30 FDEDLP C#CCNC(=O)c1ccc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000364377059 537391712 /nfs/dbraw/zinc/39/17/12/537391712.db2.gz AIILZICBTWEEEZ-INIZCTEOSA-N 2 2 355.486 1.049 20 30 FDEDLP C#CCNC(=O)c1ccc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000364377059 537391717 /nfs/dbraw/zinc/39/17/17/537391717.db2.gz AIILZICBTWEEEZ-INIZCTEOSA-N 2 2 355.486 1.049 20 30 FDEDLP C[NH+](C)[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000433345566 538228643 /nfs/dbraw/zinc/22/86/43/538228643.db2.gz YNBGGTSVJIGMHO-LJQANCHMSA-N 2 2 358.486 1.754 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000560932695 545633769 /nfs/dbraw/zinc/63/37/69/545633769.db2.gz LLPLMYPOXIXDPY-QUCCMNQESA-N 2 2 361.486 1.439 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000560932695 545633773 /nfs/dbraw/zinc/63/37/73/545633773.db2.gz LLPLMYPOXIXDPY-QUCCMNQESA-N 2 2 361.486 1.439 20 30 FDEDLP CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000563365266 546503023 /nfs/dbraw/zinc/50/30/23/546503023.db2.gz LFIZSFSBPMFVIQ-LPHOPBHVSA-N 2 2 358.486 1.805 20 30 FDEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592146366 551949190 /nfs/dbraw/zinc/94/91/90/551949190.db2.gz CHRSQDMRFUOGBE-PXNSSMCTSA-N 2 2 356.470 1.242 20 30 FDEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592146366 551949191 /nfs/dbraw/zinc/94/91/91/551949191.db2.gz CHRSQDMRFUOGBE-PXNSSMCTSA-N 2 2 356.470 1.242 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCc3ccc(C#N)cc3)CC2)CC1 ZINC000595488893 552571500 /nfs/dbraw/zinc/57/15/00/552571500.db2.gz NJBBCMHCHHAPJW-UHFFFAOYSA-N 2 2 369.513 1.959 20 30 FDEDLP C[N@@H+](CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)Cc1ccccc1 ZINC000596285754 552671203 /nfs/dbraw/zinc/67/12/03/552671203.db2.gz OGWXTMKTYXLLGY-UHFFFAOYSA-N 2 2 366.465 1.684 20 30 FDEDLP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599401206 553046693 /nfs/dbraw/zinc/04/66/93/553046693.db2.gz OFJOFDPEDSMSNI-MSOLQXFVSA-N 2 2 351.491 1.102 20 30 FDEDLP N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599401206 553046695 /nfs/dbraw/zinc/04/66/95/553046695.db2.gz OFJOFDPEDSMSNI-MSOLQXFVSA-N 2 2 351.491 1.102 20 30 FDEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000602876176 553657215 /nfs/dbraw/zinc/65/72/15/553657215.db2.gz FQGNSNCGVCAUQX-UYAOXDASSA-N 2 2 356.470 1.442 20 30 FDEDLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000602876176 553657216 /nfs/dbraw/zinc/65/72/16/553657216.db2.gz FQGNSNCGVCAUQX-UYAOXDASSA-N 2 2 356.470 1.442 20 30 FDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000603429605 553786521 /nfs/dbraw/zinc/78/65/21/553786521.db2.gz ZMEDIOBBBZMMGN-FPOVZHCZSA-N 2 2 354.498 1.932 20 30 FDEDLP C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899719 554577723 /nfs/dbraw/zinc/57/77/23/554577723.db2.gz GFLHRINSNWCENE-LPHOPBHVSA-N 2 2 371.485 1.105 20 30 FDEDLP C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899719 554577724 /nfs/dbraw/zinc/57/77/24/554577724.db2.gz GFLHRINSNWCENE-LPHOPBHVSA-N 2 2 371.485 1.105 20 30 FDEDLP CN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613856929 554980671 /nfs/dbraw/zinc/98/06/71/554980671.db2.gz DQAVQIKDOZNNCK-LJQANCHMSA-N 2 2 355.486 1.868 20 30 FDEDLP CN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613856929 554980673 /nfs/dbraw/zinc/98/06/73/554980673.db2.gz DQAVQIKDOZNNCK-LJQANCHMSA-N 2 2 355.486 1.868 20 30 FDEDLP C=CCn1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)nn1 ZINC000631162818 557982158 /nfs/dbraw/zinc/98/21/58/557982158.db2.gz FHHDADWUHSLRTD-UHFFFAOYSA-N 2 2 357.458 1.465 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)C2CCCCC2)C1 ZINC000178148692 672136593 /nfs/dbraw/zinc/13/65/93/672136593.db2.gz SPQOQYXUIYXUKZ-INIZCTEOSA-N 2 2 354.495 1.329 20 30 FDEDLP [NH2+]=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCSCC1 ZINC000303889286 676543480 /nfs/dbraw/zinc/54/34/80/676543480.db2.gz PJXWVBRPKMWHHQ-UHFFFAOYSA-N 2 2 364.515 1.261 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCO[C@H]3C3CC3)CC2)CC1 ZINC000328841964 676609235 /nfs/dbraw/zinc/60/92/35/676609235.db2.gz PXFFAGFADYWLLF-MSOLQXFVSA-N 2 2 350.507 1.616 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@](C)(C(N)=O)C3)CC2)CC1 ZINC000329975522 676666653 /nfs/dbraw/zinc/66/66/53/676666653.db2.gz YEGWHPZKKFARQI-SFHVURJKSA-N 2 2 351.495 1.706 20 30 FDEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000330507535 676694502 /nfs/dbraw/zinc/69/45/02/676694502.db2.gz BCRMQINWXFHBAW-INIZCTEOSA-N 2 2 351.470 1.137 20 30 FDEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000330507535 676694506 /nfs/dbraw/zinc/69/45/06/676694506.db2.gz BCRMQINWXFHBAW-INIZCTEOSA-N 2 2 351.470 1.137 20 30 FDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C2 ZINC001112492967 773735653 /nfs/dbraw/zinc/73/56/53/773735653.db2.gz KZQGHGGNPMZLBS-ZVDOUQERSA-N 2 2 359.514 1.339 20 30 FDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)C2 ZINC001112492967 773735657 /nfs/dbraw/zinc/73/56/57/773735657.db2.gz KZQGHGGNPMZLBS-ZVDOUQERSA-N 2 2 359.514 1.339 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)[N@H+](C)C1 ZINC000328921033 779343233 /nfs/dbraw/zinc/34/32/33/779343233.db2.gz BJZNTSNOJIZKGC-IKGGRYGDSA-N 2 2 361.490 1.268 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)[N@@H+](C)C1 ZINC000328921033 779343238 /nfs/dbraw/zinc/34/32/38/779343238.db2.gz BJZNTSNOJIZKGC-IKGGRYGDSA-N 2 2 361.490 1.268 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083276229 787291127 /nfs/dbraw/zinc/29/11/27/787291127.db2.gz SNCVJVOSHALWIF-RBUKOAKNSA-N 2 2 365.437 1.175 20 30 FDEDLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083276229 787291169 /nfs/dbraw/zinc/29/11/69/787291169.db2.gz SNCVJVOSHALWIF-RBUKOAKNSA-N 2 2 365.437 1.175 20 30 FDEDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000378299904 793912601 /nfs/dbraw/zinc/91/26/01/793912601.db2.gz SVEDFASCLAMIIO-SFHVURJKSA-N 2 2 361.534 1.288 20 30 FDEDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000378299904 793912604 /nfs/dbraw/zinc/91/26/04/793912604.db2.gz SVEDFASCLAMIIO-SFHVURJKSA-N 2 2 361.534 1.288 20 30 FDEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104908798 794353293 /nfs/dbraw/zinc/35/32/93/794353293.db2.gz LDQJLAUXRQSNMU-HUUCEWRRSA-N 2 2 361.490 1.064 20 30 FDEDLP CC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]CC1 ZINC000418517239 796066141 /nfs/dbraw/zinc/06/61/41/796066141.db2.gz KUYWMFQFVDELEW-UHFFFAOYSA-N 2 2 355.486 1.775 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001087435212 808773162 /nfs/dbraw/zinc/77/31/62/808773162.db2.gz DNCWTCCTDCVULJ-NJDAHSKKSA-N 2 2 369.509 1.703 20 30 FDEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001087435212 808773169 /nfs/dbraw/zinc/77/31/69/808773169.db2.gz DNCWTCCTDCVULJ-NJDAHSKKSA-N 2 2 369.509 1.703 20 30 FDEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001087435212 808773173 /nfs/dbraw/zinc/77/31/73/808773173.db2.gz DNCWTCCTDCVULJ-NJDAHSKKSA-N 2 2 369.509 1.703 20 30 FDEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001087435212 808773178 /nfs/dbraw/zinc/77/31/78/808773178.db2.gz DNCWTCCTDCVULJ-NJDAHSKKSA-N 2 2 369.509 1.703 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CC(N)=O)C3CCOCC3)CC2)cc1 ZINC000366695413 813812976 /nfs/dbraw/zinc/81/29/76/813812976.db2.gz YEKJHFNABNNPLZ-FQEVSTJZSA-N 2 2 370.497 1.783 20 30 FDEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506006483 816974235 /nfs/dbraw/zinc/97/42/35/816974235.db2.gz HGSWORPQGGAPDJ-HXUWFJFHSA-N 2 2 370.497 1.909 20 30 FDEDLP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000261992276 817964067 /nfs/dbraw/zinc/96/40/67/817964067.db2.gz RORAIRILACTKEC-UHFFFAOYSA-N 2 2 367.501 1.549 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087529491 820614265 /nfs/dbraw/zinc/61/42/65/820614265.db2.gz JCUWKOPWXLJTEZ-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1C#N ZINC001087529491 820614270 /nfs/dbraw/zinc/61/42/70/820614270.db2.gz JCUWKOPWXLJTEZ-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1C#N ZINC001087529491 820614275 /nfs/dbraw/zinc/61/42/75/820614275.db2.gz JCUWKOPWXLJTEZ-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1C#N ZINC001087529491 820614279 /nfs/dbraw/zinc/61/42/79/820614279.db2.gz JCUWKOPWXLJTEZ-OTWHNJEPSA-N 2 2 356.470 1.358 20 30 FDEDLP C#CCC1(O)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000895671798 822695909 /nfs/dbraw/zinc/69/59/09/822695909.db2.gz XJKPLKDNPKKKRC-UHFFFAOYSA-N 2 2 358.482 1.748 20 30 FDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329145618 824626025 /nfs/dbraw/zinc/62/60/25/824626025.db2.gz NULVWDBECQNLDX-APWZRJJASA-N 2 2 368.522 1.196 20 30 FDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329145618 824626027 /nfs/dbraw/zinc/62/60/27/824626027.db2.gz NULVWDBECQNLDX-APWZRJJASA-N 2 2 368.522 1.196 20 30 FDEDLP CC(=O)N1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](C)C1 ZINC000330087718 825627433 /nfs/dbraw/zinc/62/74/33/825627433.db2.gz NMENWTSWBFMRSG-OAHLLOKOSA-N 2 2 365.522 1.012 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)cc1F ZINC001088219708 827539563 /nfs/dbraw/zinc/53/95/63/827539563.db2.gz RESWMRLKAJIKTO-MSOLQXFVSA-N 2 2 367.428 1.874 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)cc1F ZINC001088219708 827539569 /nfs/dbraw/zinc/53/95/69/827539569.db2.gz RESWMRLKAJIKTO-MSOLQXFVSA-N 2 2 367.428 1.874 20 30 FDEDLP C#CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001088233880 827597789 /nfs/dbraw/zinc/59/77/89/827597789.db2.gz CAVDDWACUBQWFX-IPMKNSEASA-N 2 2 370.497 1.866 20 30 FDEDLP C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001088233880 827597792 /nfs/dbraw/zinc/59/77/92/827597792.db2.gz CAVDDWACUBQWFX-IPMKNSEASA-N 2 2 370.497 1.866 20 30 FDEDLP C#CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001088233880 827597796 /nfs/dbraw/zinc/59/77/96/827597796.db2.gz CAVDDWACUBQWFX-IPMKNSEASA-N 2 2 370.497 1.866 20 30 FDEDLP C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001088233880 827597798 /nfs/dbraw/zinc/59/77/98/827597798.db2.gz CAVDDWACUBQWFX-IPMKNSEASA-N 2 2 370.497 1.866 20 30 FDEDLP C[NH+]=C(NCCN1CCOCC1(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179227415 836767144 /nfs/dbraw/zinc/76/71/44/836767144.db2.gz WBBBWTIHOVJXFD-DLBZAZTESA-N 2 2 362.522 1.452 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088659561 839468954 /nfs/dbraw/zinc/46/89/54/839468954.db2.gz XLOIDULPRQRSRQ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088659561 839468958 /nfs/dbraw/zinc/46/89/58/839468958.db2.gz XLOIDULPRQRSRQ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C#N)c(F)c1 ZINC001088659561 839468965 /nfs/dbraw/zinc/46/89/65/839468965.db2.gz XLOIDULPRQRSRQ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C#N)c(F)c1 ZINC001088659561 839468976 /nfs/dbraw/zinc/46/89/76/839468976.db2.gz XLOIDULPRQRSRQ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105647524 842413702 /nfs/dbraw/zinc/41/37/02/842413702.db2.gz RQPOZCJCGNKWMM-LFGUQSLTSA-N 2 2 358.486 1.263 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105648096 842415281 /nfs/dbraw/zinc/41/52/81/842415281.db2.gz WTJLUUWJRCFCGR-HNBVOPMISA-N 2 2 358.486 1.263 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)C)C[C@@H]1O ZINC001083535687 846922825 /nfs/dbraw/zinc/92/28/25/846922825.db2.gz GHHAEUOHTNHNAQ-HKBOAZHASA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(C)C)C[C@@H]1O ZINC001083535687 846922831 /nfs/dbraw/zinc/92/28/31/846922831.db2.gz GHHAEUOHTNHNAQ-HKBOAZHASA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C(C)C)C[C@@H]1O ZINC001083535687 846922838 /nfs/dbraw/zinc/92/28/38/846922838.db2.gz GHHAEUOHTNHNAQ-HKBOAZHASA-N 2 2 369.509 1.569 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C(C)C)C[C@@H]1O ZINC001083535687 846922839 /nfs/dbraw/zinc/92/28/39/846922839.db2.gz GHHAEUOHTNHNAQ-HKBOAZHASA-N 2 2 369.509 1.569 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076594055 848518485 /nfs/dbraw/zinc/51/84/85/848518485.db2.gz FFBWCXTXYRFMII-XUVXKRRUSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076594055 848518490 /nfs/dbraw/zinc/51/84/90/848518490.db2.gz FFBWCXTXYRFMII-XUVXKRRUSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076594055 848518494 /nfs/dbraw/zinc/51/84/94/848518494.db2.gz FFBWCXTXYRFMII-XUVXKRRUSA-N 2 2 368.481 1.312 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076594055 848518500 /nfs/dbraw/zinc/51/85/00/848518500.db2.gz FFBWCXTXYRFMII-XUVXKRRUSA-N 2 2 368.481 1.312 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1O ZINC001077159319 849956354 /nfs/dbraw/zinc/95/63/54/849956354.db2.gz ZGCYIBJBFKTVNR-QHAWAJNXSA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1O ZINC001077159319 849956361 /nfs/dbraw/zinc/95/63/61/849956361.db2.gz ZGCYIBJBFKTVNR-QHAWAJNXSA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C3CC3)cc2)C[C@H]1O ZINC001077159319 849956363 /nfs/dbraw/zinc/95/63/63/849956363.db2.gz ZGCYIBJBFKTVNR-QHAWAJNXSA-N 2 2 367.493 1.323 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C3CC3)cc2)C[C@H]1O ZINC001077159319 849956367 /nfs/dbraw/zinc/95/63/67/849956367.db2.gz ZGCYIBJBFKTVNR-QHAWAJNXSA-N 2 2 367.493 1.323 20 30 FDEDLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000488501954 858129935 /nfs/dbraw/zinc/12/99/35/858129935.db2.gz HJZMTNYZMFSTMX-LJQANCHMSA-N 2 2 356.470 1.360 20 30 FDEDLP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106061527 865081591 /nfs/dbraw/zinc/08/15/91/865081591.db2.gz GZCZKTCUIUFWMP-DGCLKSJQSA-N 2 2 355.280 1.935 20 30 FDEDLP COCCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463276693 868428283 /nfs/dbraw/zinc/42/82/83/868428283.db2.gz ANINPNIIYUIOGZ-NHCUHLMSSA-N 2 2 373.497 1.933 20 30 FDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001129084513 885709804 /nfs/dbraw/zinc/70/98/04/885709804.db2.gz MPDVVDPEBAHQBT-ZACQAIPSSA-N 2 2 369.473 1.045 20 30 FDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001129084513 885709813 /nfs/dbraw/zinc/70/98/13/885709813.db2.gz MPDVVDPEBAHQBT-ZACQAIPSSA-N 2 2 369.473 1.045 20 30 FDEDLP C[N@@H+]1CCc2ncnc(NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)c2C1 ZINC000330362879 887659875 /nfs/dbraw/zinc/65/98/75/887659875.db2.gz ZZSWRYMFYMMHSC-UHFFFAOYSA-N 2 2 374.533 2.343 20 30 FDEDLP C[N@H+]1CCc2ncnc(NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)c2C1 ZINC000330362879 887659886 /nfs/dbraw/zinc/65/98/86/887659886.db2.gz ZZSWRYMFYMMHSC-UHFFFAOYSA-N 2 2 374.533 2.343 20 30 FDEDLP C=CCOc1ccc(-c2noc([C@H](N)C[NH+]3CCC([NH3+])CC3)n2)c(F)c1 ZINC001212315550 890038413 /nfs/dbraw/zinc/03/84/13/890038413.db2.gz YQAHZZLVPXYGDK-MRXNPFEDSA-N 2 2 361.421 1.863 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106922456 892594304 /nfs/dbraw/zinc/59/43/04/892594304.db2.gz DIPFXTDNXBSTMT-VQIMIIECSA-N 2 2 350.466 1.996 20 30 FDEDLP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937432 893079079 /nfs/dbraw/zinc/07/90/79/893079079.db2.gz ZFOUZUMRTFPSOQ-TZMCWYRMSA-N 2 2 369.307 1.945 20 30 FDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084231584 913777913 /nfs/dbraw/zinc/77/79/13/913777913.db2.gz FAYOWWKAZKZEBF-BHIYHBOVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084231584 913777925 /nfs/dbraw/zinc/77/79/25/913777925.db2.gz FAYOWWKAZKZEBF-BHIYHBOVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084231584 913777931 /nfs/dbraw/zinc/77/79/31/913777931.db2.gz FAYOWWKAZKZEBF-BHIYHBOVSA-N 2 2 356.445 1.824 20 30 FDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084231584 913777936 /nfs/dbraw/zinc/77/79/36/913777936.db2.gz FAYOWWKAZKZEBF-BHIYHBOVSA-N 2 2 356.445 1.824 20 30 FDEDLP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998477 896547759 /nfs/dbraw/zinc/54/77/59/896547759.db2.gz SJKLOGLRGDVHDS-BZUAXINKSA-N 2 2 355.446 1.244 20 30 FDEDLP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998477 896547771 /nfs/dbraw/zinc/54/77/71/896547771.db2.gz SJKLOGLRGDVHDS-BZUAXINKSA-N 2 2 355.446 1.244 20 30 FDEDLP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998477 896547785 /nfs/dbraw/zinc/54/77/85/896547785.db2.gz SJKLOGLRGDVHDS-BZUAXINKSA-N 2 2 355.446 1.244 20 30 FDEDLP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998477 896547799 /nfs/dbraw/zinc/54/77/99/896547799.db2.gz SJKLOGLRGDVHDS-BZUAXINKSA-N 2 2 355.446 1.244 20 30 FDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959308 897322092 /nfs/dbraw/zinc/32/20/92/897322092.db2.gz HMTAPZTYJPNJKJ-BRWVUGGUSA-N 2 2 358.486 1.697 20 30 FDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CCOCC2)C1 ZINC001089959308 897322108 /nfs/dbraw/zinc/32/21/08/897322108.db2.gz HMTAPZTYJPNJKJ-BRWVUGGUSA-N 2 2 358.486 1.697 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436738 897837610 /nfs/dbraw/zinc/83/76/10/897837610.db2.gz HLYRUBZHSADZNL-ZACQAIPSSA-N 2 2 364.515 1.521 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436738 897837614 /nfs/dbraw/zinc/83/76/14/897837614.db2.gz HLYRUBZHSADZNL-ZACQAIPSSA-N 2 2 364.515 1.521 20 30 FDEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078228420 898435063 /nfs/dbraw/zinc/43/50/63/898435063.db2.gz QAYSTRQCTXBMLU-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078228420 898435069 /nfs/dbraw/zinc/43/50/69/898435069.db2.gz QAYSTRQCTXBMLU-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078228420 898435074 /nfs/dbraw/zinc/43/50/74/898435074.db2.gz QAYSTRQCTXBMLU-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078228420 898435079 /nfs/dbraw/zinc/43/50/79/898435079.db2.gz QAYSTRQCTXBMLU-CEXWTWQISA-N 2 2 356.470 1.094 20 30 FDEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078228421 898435763 /nfs/dbraw/zinc/43/57/63/898435763.db2.gz QAYSTRQCTXBMLU-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078228421 898435765 /nfs/dbraw/zinc/43/57/65/898435765.db2.gz QAYSTRQCTXBMLU-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078228421 898435769 /nfs/dbraw/zinc/43/57/69/898435769.db2.gz QAYSTRQCTXBMLU-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078228421 898435773 /nfs/dbraw/zinc/43/57/73/898435773.db2.gz QAYSTRQCTXBMLU-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011729 899532904 /nfs/dbraw/zinc/53/29/04/899532904.db2.gz PFXDGHBWBWCLDW-KBRIMQKVSA-N 2 2 355.910 1.534 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079248026 902262487 /nfs/dbraw/zinc/26/24/87/902262487.db2.gz CRZLAEICTCDYPI-NZSAHSFTSA-N 2 2 368.481 1.018 20 30 FDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079254849 902282895 /nfs/dbraw/zinc/28/28/95/902282895.db2.gz ZASCFJMTOGASRD-ZWKOTPCHSA-N 2 2 356.470 1.236 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079991100 903815615 /nfs/dbraw/zinc/81/56/15/903815615.db2.gz WAATUEGQUVPEHQ-AYOQOUSVSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079991100 903815626 /nfs/dbraw/zinc/81/56/26/903815626.db2.gz WAATUEGQUVPEHQ-AYOQOUSVSA-N 2 2 363.465 1.954 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1ccccc1 ZINC001081137874 907241892 /nfs/dbraw/zinc/24/18/92/907241892.db2.gz TUPQPTKNHGKQKC-PKOBYXMFSA-N 2 2 352.438 1.567 20 30 FDEDLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082602972 908911318 /nfs/dbraw/zinc/91/13/18/908911318.db2.gz CPOCUTGIZAUMPX-ATZDWAIDSA-N 2 2 363.465 1.954 20 30 FDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001082884850 910663807 /nfs/dbraw/zinc/66/38/07/910663807.db2.gz LCOBFXPFZKMTRO-KZULUSFZSA-N 2 2 355.417 1.908 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409270 911723348 /nfs/dbraw/zinc/72/33/48/911723348.db2.gz BISQYWPEEOPDPF-ZACQAIPSSA-N 2 2 362.499 1.275 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409270 911723353 /nfs/dbraw/zinc/72/33/53/911723353.db2.gz BISQYWPEEOPDPF-ZACQAIPSSA-N 2 2 362.499 1.275 20 30 FDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532858 915226188 /nfs/dbraw/zinc/22/61/88/915226188.db2.gz SAZBHAJTAMRABG-DSZOFWSKSA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532858 915226204 /nfs/dbraw/zinc/22/62/04/915226204.db2.gz SAZBHAJTAMRABG-DSZOFWSKSA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532858 915226221 /nfs/dbraw/zinc/22/62/21/915226221.db2.gz SAZBHAJTAMRABG-DSZOFWSKSA-N 2 2 351.878 1.135 20 30 FDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532858 915226233 /nfs/dbraw/zinc/22/62/33/915226233.db2.gz SAZBHAJTAMRABG-DSZOFWSKSA-N 2 2 351.878 1.135 20 30 FDEDLP N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001084865940 917812943 /nfs/dbraw/zinc/81/29/43/917812943.db2.gz AWCYXGTXQQAJND-IEBWSBKVSA-N 2 2 365.437 1.518 20 30 FDEDLP N#CCOc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001084865940 917812955 /nfs/dbraw/zinc/81/29/55/917812955.db2.gz AWCYXGTXQQAJND-IEBWSBKVSA-N 2 2 365.437 1.518 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941055 938566389 /nfs/dbraw/zinc/56/63/89/938566389.db2.gz HNNHDZLIWAIGQQ-ZACQAIPSSA-N 2 2 371.489 1.341 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130086213 938667437 /nfs/dbraw/zinc/66/74/37/938667437.db2.gz PUTQSYZECYEQFB-CABCVRRESA-N 2 2 357.462 1.287 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cn(C)cn1 ZINC001130632597 939935897 /nfs/dbraw/zinc/93/58/97/939935897.db2.gz IHUSFVDIFZWDTF-FUHWJXTLSA-N 2 2 370.501 1.637 20 30 FDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130637841 939939979 /nfs/dbraw/zinc/93/99/79/939939979.db2.gz OFYACUIPBYAWTG-ZIFCJYIRSA-N 2 2 370.501 1.946 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001086720905 941620755 /nfs/dbraw/zinc/62/07/55/941620755.db2.gz UNOPLWOSIYIMBC-UAGQMJEPSA-N 2 2 371.485 1.419 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001086720905 941620759 /nfs/dbraw/zinc/62/07/59/941620759.db2.gz UNOPLWOSIYIMBC-UAGQMJEPSA-N 2 2 371.485 1.419 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001090882718 947620337 /nfs/dbraw/zinc/62/03/37/947620337.db2.gz RKBMNTABLUTYKI-UIAACRFSSA-N 2 2 366.465 1.814 20 30 FDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccc(OC)cc1 ZINC001090882718 947620343 /nfs/dbraw/zinc/62/03/43/947620343.db2.gz RKBMNTABLUTYKI-UIAACRFSSA-N 2 2 366.465 1.814 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1c1cnn(C)c1 ZINC001086979622 952993628 /nfs/dbraw/zinc/99/36/28/952993628.db2.gz JPWDVNXPPROXQX-ZWKOTPCHSA-N 2 2 368.485 1.266 20 30 FDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1c1cnn(C)c1 ZINC001086984005 952998334 /nfs/dbraw/zinc/99/83/34/952998334.db2.gz UFUVPPRIENSZLP-DLBZAZTESA-N 2 2 355.442 1.136 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2 ZINC001092053004 954147716 /nfs/dbraw/zinc/14/77/16/954147716.db2.gz VQBGJBTVHGNMSM-ACJLOTCBSA-N 2 2 355.467 1.866 20 30 FDEDLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001092053004 954147726 /nfs/dbraw/zinc/14/77/26/954147726.db2.gz VQBGJBTVHGNMSM-ACJLOTCBSA-N 2 2 355.467 1.866 20 30 FDEDLP CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12 ZINC001092372253 955044818 /nfs/dbraw/zinc/04/48/18/955044818.db2.gz INXZSJMIVCLPEC-YESZJQIVSA-N 2 2 355.486 1.209 20 30 FDEDLP CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1nccn12 ZINC001092372253 955044827 /nfs/dbraw/zinc/04/48/27/955044827.db2.gz INXZSJMIVCLPEC-YESZJQIVSA-N 2 2 355.486 1.209 20 30 FDEDLP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093476427 958254673 /nfs/dbraw/zinc/25/46/73/958254673.db2.gz AYIAGAARZPBSNR-HNBVOPMISA-N 2 2 360.502 1.505 20 30 FDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001094165819 959951054 /nfs/dbraw/zinc/95/10/54/959951054.db2.gz ALQWRCZSIVVHCU-CRAIPNDOSA-N 2 2 351.454 1.719 20 30 FDEDLP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1C#N ZINC001094254100 960198504 /nfs/dbraw/zinc/19/85/04/960198504.db2.gz SIJUQFIZBJXOPE-CRAIPNDOSA-N 2 2 367.453 1.648 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001110392212 965147144 /nfs/dbraw/zinc/14/71/44/965147144.db2.gz DBLCNUAMPZHISU-BDXSIMOUSA-N 2 2 360.502 1.003 20 30 FDEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001110392212 965147151 /nfs/dbraw/zinc/14/71/51/965147151.db2.gz DBLCNUAMPZHISU-BDXSIMOUSA-N 2 2 360.502 1.003 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110392212 965147156 /nfs/dbraw/zinc/14/71/56/965147156.db2.gz DBLCNUAMPZHISU-BDXSIMOUSA-N 2 2 360.502 1.003 20 30 FDEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110392212 965147162 /nfs/dbraw/zinc/14/71/62/965147162.db2.gz DBLCNUAMPZHISU-BDXSIMOUSA-N 2 2 360.502 1.003 20 30 FDEDLP Cc1cc(N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000852857495 967661742 /nfs/dbraw/zinc/66/17/42/967661742.db2.gz VMLJXEHAGJZIBQ-UHFFFAOYSA-N 2 2 355.486 1.560 20 30 FDEDLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1 ZINC000852866120 967671248 /nfs/dbraw/zinc/67/12/48/967671248.db2.gz SGMGONVBEXTWFZ-QGZVFWFLSA-N 2 2 355.482 1.903 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001199023872 973804599 /nfs/dbraw/zinc/80/45/99/973804599.db2.gz RFFAAMKRMCYYJO-IAGOWNOFSA-N 2 2 362.499 1.157 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001199023872 973804612 /nfs/dbraw/zinc/80/46/12/973804612.db2.gz RFFAAMKRMCYYJO-IAGOWNOFSA-N 2 2 362.499 1.157 20 30 FDEDLP N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199369954 974222332 /nfs/dbraw/zinc/22/23/32/974222332.db2.gz DNVMZRAQNRVJOZ-WOJBJXKFSA-N 2 2 370.497 1.486 20 30 FDEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199369954 974222335 /nfs/dbraw/zinc/22/23/35/974222335.db2.gz DNVMZRAQNRVJOZ-WOJBJXKFSA-N 2 2 370.497 1.486 20 30 FDEDLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)c1 ZINC000867998679 977183595 /nfs/dbraw/zinc/18/35/95/977183595.db2.gz YXUPXGACIAMHPO-RBUKOAKNSA-N 2 2 358.486 1.723 20 30 FDEDLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C2)c1 ZINC000867998679 977183599 /nfs/dbraw/zinc/18/35/99/977183599.db2.gz YXUPXGACIAMHPO-RBUKOAKNSA-N 2 2 358.486 1.723 20 30 FDEDLP C#C[C@](C)(CC)[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000852099134 979350015 /nfs/dbraw/zinc/35/00/15/979350015.db2.gz FKICRYHNKFZLDX-HXUWFJFHSA-N 2 2 357.502 1.949 20 30 FDEDLP C=CCC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCO1 ZINC000883371343 982099601 /nfs/dbraw/zinc/09/96/01/982099601.db2.gz HDWRWSALVASVRT-HSALFYBXSA-N 2 2 351.535 1.886 20 30 FDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000884205436 982980739 /nfs/dbraw/zinc/98/07/39/982980739.db2.gz WRPWLFXRKXBNSS-IBGZPJMESA-N 2 2 373.497 1.981 20 30 FDEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425947 986202880 /nfs/dbraw/zinc/20/28/80/986202880.db2.gz BBZUAGKTAODLEE-SFHVURJKSA-N 2 2 365.518 1.776 20 30 FDEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425947 986202895 /nfs/dbraw/zinc/20/28/95/986202895.db2.gz BBZUAGKTAODLEE-SFHVURJKSA-N 2 2 365.518 1.776 20 30 FDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425947 986202905 /nfs/dbraw/zinc/20/29/05/986202905.db2.gz BBZUAGKTAODLEE-SFHVURJKSA-N 2 2 365.518 1.776 20 30 FDEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425947 986202914 /nfs/dbraw/zinc/20/29/14/986202914.db2.gz BBZUAGKTAODLEE-SFHVURJKSA-N 2 2 365.518 1.776 20 30 FDEDLP CC[NH+]1CCN(c2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2F)CC1 ZINC000872239463 987535781 /nfs/dbraw/zinc/53/57/81/987535781.db2.gz IKIFTAXYZFBOJD-KRWDZBQOSA-N 2 2 363.481 1.586 20 30 FDEDLP CC[NH+]1CCN(c2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2F)CC1 ZINC000872239463 987535788 /nfs/dbraw/zinc/53/57/88/987535788.db2.gz IKIFTAXYZFBOJD-KRWDZBQOSA-N 2 2 363.481 1.586 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362705437 988710614 /nfs/dbraw/zinc/71/06/14/988710614.db2.gz LTPIDGUWBFFQAZ-DOTOQJQBSA-N 2 2 356.470 1.610 20 30 FDEDLP C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362705437 988710625 /nfs/dbraw/zinc/71/06/25/988710625.db2.gz LTPIDGUWBFFQAZ-DOTOQJQBSA-N 2 2 356.470 1.610 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(OCC#N)cc3)C2)CC1 ZINC000364209315 989513566 /nfs/dbraw/zinc/51/35/66/989513566.db2.gz UYLQFIBBIRPCHP-QGZVFWFLSA-N 2 2 356.470 1.416 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(OCC#N)cc3)C2)CC1 ZINC000364209315 989513575 /nfs/dbraw/zinc/51/35/75/989513575.db2.gz UYLQFIBBIRPCHP-QGZVFWFLSA-N 2 2 356.470 1.416 20 30 FDEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000371540477 990512051 /nfs/dbraw/zinc/51/20/51/990512051.db2.gz YANWNPOREUUOCH-RTBURBONSA-N 2 2 351.454 1.912 20 30 FDEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000371540477 990512059 /nfs/dbraw/zinc/51/20/59/990512059.db2.gz YANWNPOREUUOCH-RTBURBONSA-N 2 2 351.454 1.912 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000875182394 991022396 /nfs/dbraw/zinc/02/23/96/991022396.db2.gz MPEBFSFCWQEHLK-IBGZPJMESA-N 2 2 370.497 1.446 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000875182394 991022404 /nfs/dbraw/zinc/02/24/04/991022404.db2.gz MPEBFSFCWQEHLK-IBGZPJMESA-N 2 2 370.497 1.446 20 30 FDEDLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000877898063 993544606 /nfs/dbraw/zinc/54/46/06/993544606.db2.gz FRJMLIRZYCJHKO-UHFFFAOYSA-N 2 2 369.513 1.276 20 30 FDEDLP C[NH+]1CCC(NC(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000877898063 993544613 /nfs/dbraw/zinc/54/46/13/993544613.db2.gz FRJMLIRZYCJHKO-UHFFFAOYSA-N 2 2 369.513 1.276 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CC1 ZINC000928657847 1001613353 /nfs/dbraw/zinc/61/33/53/1001613353.db2.gz BHNRSVGMVFCHPN-UHFFFAOYSA-N 2 2 360.527 1.877 20 30 FDEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC000949194351 1003082064 /nfs/dbraw/zinc/08/20/64/1003082064.db2.gz RITACWQLPHPBST-IAGOWNOFSA-N 2 2 356.470 1.240 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111098434 1005926155 /nfs/dbraw/zinc/92/61/55/1005926155.db2.gz DFDWTPMKJRIEDA-ZJPYXAASSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111098434 1005926156 /nfs/dbraw/zinc/92/61/56/1005926156.db2.gz DFDWTPMKJRIEDA-ZJPYXAASSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098434 1005926158 /nfs/dbraw/zinc/92/61/58/1005926158.db2.gz DFDWTPMKJRIEDA-ZJPYXAASSA-N 2 2 362.518 1.273 20 30 FDEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098434 1005926159 /nfs/dbraw/zinc/92/61/59/1005926159.db2.gz DFDWTPMKJRIEDA-ZJPYXAASSA-N 2 2 362.518 1.273 20 30 FDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784099 1007393095 /nfs/dbraw/zinc/39/30/95/1007393095.db2.gz BNHIDXKLFZOPIE-TUBVSAOGSA-N 2 2 351.878 1.324 20 30 FDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784099 1007393114 /nfs/dbraw/zinc/39/31/14/1007393114.db2.gz BNHIDXKLFZOPIE-TUBVSAOGSA-N 2 2 351.878 1.324 20 30 FDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001095784099 1007393127 /nfs/dbraw/zinc/39/31/27/1007393127.db2.gz BNHIDXKLFZOPIE-TUBVSAOGSA-N 2 2 351.878 1.324 20 30 FDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001095784099 1007393140 /nfs/dbraw/zinc/39/31/40/1007393140.db2.gz BNHIDXKLFZOPIE-TUBVSAOGSA-N 2 2 351.878 1.324 20 30 FDEDLP CC(C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCOCC1 ZINC000303771947 1009574310 /nfs/dbraw/zinc/57/43/10/1009574310.db2.gz DCBCJDAOKBCMJM-INIZCTEOSA-N 2 2 362.474 1.931 20 30 FDEDLP CCCCCCNC(=[NH2+])NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000303976692 1009787511 /nfs/dbraw/zinc/78/75/11/1009787511.db2.gz KISNEGWRJNFIPD-UHFFFAOYSA-N 2 2 360.506 1.605 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000087059854 1012404643 /nfs/dbraw/zinc/40/46/43/1012404643.db2.gz JHCPAACZHFVNIP-UHFFFAOYSA-N 2 2 373.480 1.523 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000530232337 539915536 /nfs/dbraw/zinc/91/55/36/539915536.db2.gz YHSTWLUWBCYAPE-FQEVSTJZSA-N 2 2 366.465 1.947 20 30 FDEDLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CC3)CC1 ZINC000549549209 542897964 /nfs/dbraw/zinc/89/79/64/542897964.db2.gz NBFJTHTZKWDZRJ-GVDBMIGSSA-N 2 2 370.501 1.115 20 30 FDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000549936051 542971827 /nfs/dbraw/zinc/97/18/27/542971827.db2.gz JPMBBNKLEYJQGD-SJORKVTESA-N 2 2 359.518 1.777 20 30 FDEDLP COCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000179995809 258360798 /nfs/dbraw/zinc/36/07/98/258360798.db2.gz SQJFIHRURWGGOQ-IBGZPJMESA-N 2 2 356.470 1.754 20 30 FDEDLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000557407170 544287845 /nfs/dbraw/zinc/28/78/45/544287845.db2.gz CQPHCBBKWGNVEO-LJQANCHMSA-N 2 2 363.465 1.970 20 30 FDEDLP CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373511 260351395 /nfs/dbraw/zinc/35/13/95/260351395.db2.gz PNXNPXZBZDOSGD-SFHVURJKSA-N 2 2 355.486 1.868 20 30 FDEDLP CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373511 260351396 /nfs/dbraw/zinc/35/13/96/260351396.db2.gz PNXNPXZBZDOSGD-SFHVURJKSA-N 2 2 355.486 1.868 20 30 FDEDLP C[C@H]1CN(CC(=O)Nc2sccc2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374257793 261100815 /nfs/dbraw/zinc/10/08/15/261100815.db2.gz GUFDSPHTUJNDER-AWEZNQCLSA-N 2 2 361.515 1.659 20 30 FDEDLP C[C@H]1CN(CC(=O)Nc2sccc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374257793 261100816 /nfs/dbraw/zinc/10/08/16/261100816.db2.gz GUFDSPHTUJNDER-AWEZNQCLSA-N 2 2 361.515 1.659 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000074491411 522786127 /nfs/dbraw/zinc/78/61/27/522786127.db2.gz JJPJJMWUYFVSGO-IBGZPJMESA-N 2 2 355.486 1.870 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000074491411 522786135 /nfs/dbraw/zinc/78/61/35/522786135.db2.gz JJPJJMWUYFVSGO-IBGZPJMESA-N 2 2 355.486 1.870 20 30 FDEDLP CCOCCNC(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000084505712 524314016 /nfs/dbraw/zinc/31/40/16/524314016.db2.gz QPYHAPULHJPHBK-UHFFFAOYSA-N 2 2 362.474 1.462 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158346561 524450674 /nfs/dbraw/zinc/45/06/74/524450674.db2.gz DPLCWPMUEAUNFS-WBVHZDCISA-N 3 2 355.490 1.661 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158346561 524450681 /nfs/dbraw/zinc/45/06/81/524450681.db2.gz DPLCWPMUEAUNFS-WBVHZDCISA-N 3 2 355.490 1.661 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658422 524678855 /nfs/dbraw/zinc/67/88/55/524678855.db2.gz JRLWTXNJTBNMFK-UHFFFAOYSA-N 2 2 359.474 1.032 20 30 FDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658422 524678864 /nfs/dbraw/zinc/67/88/64/524678864.db2.gz JRLWTXNJTBNMFK-UHFFFAOYSA-N 2 2 359.474 1.032 20 30 FDEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000124237244 524937803 /nfs/dbraw/zinc/93/78/03/524937803.db2.gz HBGIMCOUPXQJOG-UHFFFAOYSA-N 2 2 363.425 1.901 20 30 FDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000124237244 524937813 /nfs/dbraw/zinc/93/78/13/524937813.db2.gz HBGIMCOUPXQJOG-UHFFFAOYSA-N 2 2 363.425 1.901 20 30 FDEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821064 525004344 /nfs/dbraw/zinc/00/43/44/525004344.db2.gz YQNUGGKVYPOMTO-QFBILLFUSA-N 2 2 356.470 1.716 20 30 FDEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821064 525004355 /nfs/dbraw/zinc/00/43/55/525004355.db2.gz YQNUGGKVYPOMTO-QFBILLFUSA-N 2 2 356.470 1.716 20 30 FDEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000177356168 525280488 /nfs/dbraw/zinc/28/04/88/525280488.db2.gz ZBRQFWOGYJLCSY-IBGZPJMESA-N 2 2 371.481 1.111 20 30 FDEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000119221943 525675949 /nfs/dbraw/zinc/67/59/49/525675949.db2.gz HBARCQSHDHYGAZ-UHFFFAOYSA-N 2 2 374.489 1.926 20 30 FDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000155623252 525925007 /nfs/dbraw/zinc/92/50/07/525925007.db2.gz YYVHHUNNOYQTPK-OAHLLOKOSA-N 2 2 360.425 1.640 20 30 FDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000155623252 525925020 /nfs/dbraw/zinc/92/50/20/525925020.db2.gz YYVHHUNNOYQTPK-OAHLLOKOSA-N 2 2 360.425 1.640 20 30 FDEDLP CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000171946430 526189444 /nfs/dbraw/zinc/18/94/44/526189444.db2.gz USOBIOWVWPWQTO-AWEZNQCLSA-N 2 2 362.474 1.195 20 30 FDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc(COc2ccccc2)[nH]1 ZINC000184654496 536173243 /nfs/dbraw/zinc/17/32/43/536173243.db2.gz PKYCTJQRINJPKE-AWEZNQCLSA-N 2 2 357.462 1.272 20 30 FDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc(COc2ccccc2)[nH]1 ZINC000184654496 536173248 /nfs/dbraw/zinc/17/32/48/536173248.db2.gz PKYCTJQRINJPKE-AWEZNQCLSA-N 2 2 357.462 1.272 20 30 FDEDLP C#CCNC(=O)c1ccc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000364377062 537391971 /nfs/dbraw/zinc/39/19/71/537391971.db2.gz AIILZICBTWEEEZ-MRXNPFEDSA-N 2 2 355.486 1.049 20 30 FDEDLP C#CCNC(=O)c1ccc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000364377062 537391978 /nfs/dbraw/zinc/39/19/78/537391978.db2.gz AIILZICBTWEEEZ-MRXNPFEDSA-N 2 2 355.486 1.049 20 30 FDEDLP C[C@H](O)CNc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000294316186 537683543 /nfs/dbraw/zinc/68/35/43/537683543.db2.gz ILTPFJLRNFNTNW-HNNXBMFYSA-N 2 2 352.442 1.463 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000418721867 538100472 /nfs/dbraw/zinc/10/04/72/538100472.db2.gz MMKYGVSIIPICFZ-RTBURBONSA-N 2 2 355.486 1.903 20 30 FDEDLP N#Cc1cccnc1OC1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000568499926 548562004 /nfs/dbraw/zinc/56/20/04/548562004.db2.gz ZSECQGWPPMVEDH-WZOJCFFYSA-N 2 2 356.470 2.000 20 30 FDEDLP C[C@@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC000571865617 549785154 /nfs/dbraw/zinc/78/51/54/549785154.db2.gz WDMPIKWFQKKSLW-HXUWFJFHSA-N 2 2 355.486 1.775 20 30 FDEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000572405514 549907296 /nfs/dbraw/zinc/90/72/96/549907296.db2.gz UGTJICDOQRKCKB-IRXDYDNUSA-N 2 2 367.501 1.591 20 30 FDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000575959432 550495138 /nfs/dbraw/zinc/49/51/38/550495138.db2.gz YBGZLYZPCYIJSU-HKUYNNGSSA-N 2 2 354.454 1.068 20 30 FDEDLP COc1cc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)ccc1C#N ZINC000581161812 551058383 /nfs/dbraw/zinc/05/83/83/551058383.db2.gz PUZPTLXDARIZIL-UHFFFAOYSA-N 2 2 358.486 1.453 20 30 FDEDLP COc1cc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)ccc1C#N ZINC000581161812 551058384 /nfs/dbraw/zinc/05/83/84/551058384.db2.gz PUZPTLXDARIZIL-UHFFFAOYSA-N 2 2 358.486 1.453 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)CC1 ZINC000581660923 551118460 /nfs/dbraw/zinc/11/84/60/551118460.db2.gz KNOZOFHHBUUWJB-UHFFFAOYSA-N 2 2 355.486 1.894 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)CC1 ZINC000581660923 551118463 /nfs/dbraw/zinc/11/84/63/551118463.db2.gz KNOZOFHHBUUWJB-UHFFFAOYSA-N 2 2 355.486 1.894 20 30 FDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCn3cc[nH+]c3)CC2)c1 ZINC000593003021 552052278 /nfs/dbraw/zinc/05/22/78/552052278.db2.gz IWZYWWXAWUYWBF-UHFFFAOYSA-N 2 2 352.442 1.719 20 30 FDEDLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)CC1 ZINC000594445412 552311499 /nfs/dbraw/zinc/31/14/99/552311499.db2.gz KDNSWBRJBZYVBD-IBGZPJMESA-N 2 2 371.485 1.700 20 30 FDEDLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)CC2)cc1 ZINC000595621466 552593844 /nfs/dbraw/zinc/59/38/44/552593844.db2.gz VEOYLBDEWQXOIB-SFHVURJKSA-N 2 2 370.497 1.965 20 30 FDEDLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@H](CC#N)C3)CC2)cc1 ZINC000595621466 552593847 /nfs/dbraw/zinc/59/38/47/552593847.db2.gz VEOYLBDEWQXOIB-SFHVURJKSA-N 2 2 370.497 1.965 20 30 FDEDLP C[NH+](C)CCC[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625564008 556855395 /nfs/dbraw/zinc/85/53/95/556855395.db2.gz XGOWQDUMLYDOCJ-KRWDZBQOSA-N 2 2 369.465 1.329 20 30 FDEDLP C[NH+](C)CCC[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625564008 556855398 /nfs/dbraw/zinc/85/53/98/556855398.db2.gz XGOWQDUMLYDOCJ-KRWDZBQOSA-N 2 2 369.465 1.329 20 30 FDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634340536 558452990 /nfs/dbraw/zinc/45/29/90/558452990.db2.gz RGUGWKRGGMNCHG-ZACQAIPSSA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634340536 558452992 /nfs/dbraw/zinc/45/29/92/558452992.db2.gz RGUGWKRGGMNCHG-ZACQAIPSSA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000634340536 558452997 /nfs/dbraw/zinc/45/29/97/558452997.db2.gz RGUGWKRGGMNCHG-ZACQAIPSSA-N 2 2 362.522 1.632 20 30 FDEDLP C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000634340536 558452999 /nfs/dbraw/zinc/45/29/99/558452999.db2.gz RGUGWKRGGMNCHG-ZACQAIPSSA-N 2 2 362.522 1.632 20 30 FDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(c2cccs2)CC1 ZINC000261659099 672644995 /nfs/dbraw/zinc/64/49/95/672644995.db2.gz AUJCYGFCERVULX-UHFFFAOYSA-N 2 2 367.588 1.884 20 30 FDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(c2cccs2)CC1 ZINC000261991843 672707908 /nfs/dbraw/zinc/70/79/08/672707908.db2.gz RMFAVVCBFVYEAA-UHFFFAOYSA-N 2 2 353.561 1.494 20 30 FDEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000303776939 676542858 /nfs/dbraw/zinc/54/28/58/676542858.db2.gz ICMYUPHRXHWYMX-INIZCTEOSA-N 2 2 350.463 1.787 20 30 FDEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347461 680434372 /nfs/dbraw/zinc/43/43/72/680434372.db2.gz GTIVYWJKAMIEJW-MRXNPFEDSA-N 2 2 360.527 1.883 20 30 FDEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347461 680434376 /nfs/dbraw/zinc/43/43/76/680434376.db2.gz GTIVYWJKAMIEJW-MRXNPFEDSA-N 2 2 360.527 1.883 20 30 FDEDLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@H]2C1 ZINC001164852111 720870021 /nfs/dbraw/zinc/87/00/21/720870021.db2.gz CBQHXMHWSMBLAX-WMLDXEAASA-N 2 2 355.442 1.608 20 30 FDEDLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@H]2C1 ZINC001164852111 720870025 /nfs/dbraw/zinc/87/00/25/720870025.db2.gz CBQHXMHWSMBLAX-WMLDXEAASA-N 2 2 355.442 1.608 20 30 FDEDLP Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364751677 785174576 /nfs/dbraw/zinc/17/45/76/785174576.db2.gz APKVTOKMCNIACW-HNNXBMFYSA-N 2 2 369.469 1.090 20 30 FDEDLP Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364751677 785174583 /nfs/dbraw/zinc/17/45/83/785174583.db2.gz APKVTOKMCNIACW-HNNXBMFYSA-N 2 2 369.469 1.090 20 30 FDEDLP C=CC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000662734667 802968413 /nfs/dbraw/zinc/96/84/13/802968413.db2.gz RZWCXAWOLXNTRN-PXNSSMCTSA-N 2 2 357.502 1.407 20 30 FDEDLP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262001979 811365445 /nfs/dbraw/zinc/36/54/45/811365445.db2.gz UQDYVPZDCVKNRI-GOEBONIOSA-N 2 2 356.478 1.535 20 30 FDEDLP CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC000328918660 819592659 /nfs/dbraw/zinc/59/26/59/819592659.db2.gz AJYFVTDPESTXQE-SJORKVTESA-N 2 2 365.522 1.897 20 30 FDEDLP CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC000328918660 819592669 /nfs/dbraw/zinc/59/26/69/819592669.db2.gz AJYFVTDPESTXQE-SJORKVTESA-N 2 2 365.522 1.897 20 30 FDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895686456 822698761 /nfs/dbraw/zinc/69/87/61/822698761.db2.gz RVZOAGGMCGBOJD-OALUTQOASA-N 2 2 364.534 1.472 20 30 FDEDLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001087920539 823875987 /nfs/dbraw/zinc/87/59/87/823875987.db2.gz SODJFUAFVWKNSV-QHAWAJNXSA-N 2 2 367.493 1.149 20 30 FDEDLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001087920539 823875998 /nfs/dbraw/zinc/87/59/98/823875998.db2.gz SODJFUAFVWKNSV-QHAWAJNXSA-N 2 2 367.493 1.149 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001087920539 823876005 /nfs/dbraw/zinc/87/60/05/823876005.db2.gz SODJFUAFVWKNSV-QHAWAJNXSA-N 2 2 367.493 1.149 20 30 FDEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001087920539 823876007 /nfs/dbraw/zinc/87/60/07/823876007.db2.gz SODJFUAFVWKNSV-QHAWAJNXSA-N 2 2 367.493 1.149 20 30 FDEDLP COC[C@@H]1C[C@H](OC)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329140296 824624072 /nfs/dbraw/zinc/62/40/72/824624072.db2.gz SWVWPIRBULUBPM-ROUUACIJSA-N 2 2 368.522 1.195 20 30 FDEDLP C[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329441577 824794476 /nfs/dbraw/zinc/79/44/76/824794476.db2.gz NBVAGTHAWNHCDD-GJZGRUSLSA-N 2 2 363.506 1.408 20 30 FDEDLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329827196 825487794 /nfs/dbraw/zinc/48/77/94/825487794.db2.gz ISOKGWAOSYNFNE-HUUCEWRRSA-N 2 2 374.489 1.039 20 30 FDEDLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329827196 825487799 /nfs/dbraw/zinc/48/77/99/825487799.db2.gz ISOKGWAOSYNFNE-HUUCEWRRSA-N 2 2 374.489 1.039 20 30 FDEDLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329827197 825488098 /nfs/dbraw/zinc/48/80/98/825488098.db2.gz ISOKGWAOSYNFNE-LSDHHAIUSA-N 2 2 374.489 1.039 20 30 FDEDLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329827197 825488100 /nfs/dbraw/zinc/48/81/00/825488100.db2.gz ISOKGWAOSYNFNE-LSDHHAIUSA-N 2 2 374.489 1.039 20 30 FDEDLP [O-]C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330202190 825731063 /nfs/dbraw/zinc/73/10/63/825731063.db2.gz YYKDDERJGCWUMQ-BBWFWOEESA-N 2 2 361.490 1.469 20 30 FDEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330202190 825731070 /nfs/dbraw/zinc/73/10/70/825731070.db2.gz YYKDDERJGCWUMQ-BBWFWOEESA-N 2 2 361.490 1.469 20 30 FDEDLP [O-]C(=[NH+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330298951 825826525 /nfs/dbraw/zinc/82/65/25/825826525.db2.gz HSTGASCHKUVKNE-QZTJIDSGSA-N 2 2 361.490 1.812 20 30 FDEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330298951 825826534 /nfs/dbraw/zinc/82/65/34/825826534.db2.gz HSTGASCHKUVKNE-QZTJIDSGSA-N 2 2 361.490 1.812 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)s1 ZINC001088152037 826805055 /nfs/dbraw/zinc/80/50/55/826805055.db2.gz JHJFWHTWMGZEPS-KGLIPLIRSA-N 2 2 355.467 1.866 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)s1 ZINC001088152037 826805065 /nfs/dbraw/zinc/80/50/65/826805065.db2.gz JHJFWHTWMGZEPS-KGLIPLIRSA-N 2 2 355.467 1.866 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000245563138 844375595 /nfs/dbraw/zinc/37/55/95/844375595.db2.gz PJORYMRADTVABO-OALUTQOASA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000245563138 844375607 /nfs/dbraw/zinc/37/56/07/844375607.db2.gz PJORYMRADTVABO-OALUTQOASA-N 2 2 361.534 1.096 20 30 FDEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105622464 842246361 /nfs/dbraw/zinc/24/63/61/842246361.db2.gz BALFXJWCRMKEAY-YAJHFMINSA-N 2 2 358.486 1.332 20 30 FDEDLP C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105657374 842494392 /nfs/dbraw/zinc/49/43/92/842494392.db2.gz YNPMQTNDMUMVRI-IZBJGVDFSA-N 2 2 360.502 1.885 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c(F)c1 ZINC001076574981 848451838 /nfs/dbraw/zinc/45/18/38/848451838.db2.gz UFRCKJHPNBZDEZ-PKOBYXMFSA-N 2 2 356.445 1.826 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c(F)c1 ZINC001076574981 848451845 /nfs/dbraw/zinc/45/18/45/848451845.db2.gz UFRCKJHPNBZDEZ-PKOBYXMFSA-N 2 2 356.445 1.826 20 30 FDEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077092421 849731791 /nfs/dbraw/zinc/73/17/91/849731791.db2.gz SWJCJCJSRUHAHT-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077092421 849731796 /nfs/dbraw/zinc/73/17/96/849731796.db2.gz SWJCJCJSRUHAHT-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077092421 849731797 /nfs/dbraw/zinc/73/17/97/849731797.db2.gz SWJCJCJSRUHAHT-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077092421 849731807 /nfs/dbraw/zinc/73/18/07/849731807.db2.gz SWJCJCJSRUHAHT-GUDVDZBRSA-N 2 2 356.470 1.094 20 30 FDEDLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127607 849834200 /nfs/dbraw/zinc/83/42/00/849834200.db2.gz BNNRNXHXMFJTQQ-NJDAHSKKSA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127607 849834203 /nfs/dbraw/zinc/83/42/03/849834203.db2.gz BNNRNXHXMFJTQQ-NJDAHSKKSA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127607 849834211 /nfs/dbraw/zinc/83/42/11/849834211.db2.gz BNNRNXHXMFJTQQ-NJDAHSKKSA-N 2 2 369.509 1.177 20 30 FDEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127607 849834214 /nfs/dbraw/zinc/83/42/14/849834214.db2.gz BNNRNXHXMFJTQQ-NJDAHSKKSA-N 2 2 369.509 1.177 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cncc(F)c3)[C@@H]2C)CC1 ZINC001089059935 866391056 /nfs/dbraw/zinc/39/10/56/866391056.db2.gz JNLREHDOEWAYGP-BEFAXECRSA-N 2 2 358.461 1.645 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cncc(F)c3)[C@@H]2C)CC1 ZINC001089059935 866391064 /nfs/dbraw/zinc/39/10/64/866391064.db2.gz JNLREHDOEWAYGP-BEFAXECRSA-N 2 2 358.461 1.645 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505042 868363475 /nfs/dbraw/zinc/36/34/75/868363475.db2.gz LLAWBRZOIJLHGN-QZTJIDSGSA-N 2 2 356.470 1.094 20 30 FDEDLP CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505042 868363487 /nfs/dbraw/zinc/36/34/87/868363487.db2.gz LLAWBRZOIJLHGN-QZTJIDSGSA-N 2 2 356.470 1.094 20 30 FDEDLP C=CCCC[NH+]1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)c2C1 ZINC001128397093 872554730 /nfs/dbraw/zinc/55/47/30/872554730.db2.gz QHJDZASKWLJHFB-CRAIPNDOSA-N 2 2 361.490 1.000 20 30 FDEDLP C=CCCC[NH+]1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)c2C1 ZINC001128397093 872554739 /nfs/dbraw/zinc/55/47/39/872554739.db2.gz QHJDZASKWLJHFB-CRAIPNDOSA-N 2 2 361.490 1.000 20 30 FDEDLP C=CCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)c2C1 ZINC001128397093 872554744 /nfs/dbraw/zinc/55/47/44/872554744.db2.gz QHJDZASKWLJHFB-CRAIPNDOSA-N 2 2 361.490 1.000 20 30 FDEDLP C=CCCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)c2C1 ZINC001128397093 872554751 /nfs/dbraw/zinc/55/47/51/872554751.db2.gz QHJDZASKWLJHFB-CRAIPNDOSA-N 2 2 361.490 1.000 20 30 FDEDLP C[NH+]=C(NCc1ccn(C)c1)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000153300503 874474434 /nfs/dbraw/zinc/47/44/34/874474434.db2.gz HLFKKPRXZIUCFZ-UHFFFAOYSA-N 3 2 360.550 1.640 20 30 FDEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC001083155297 912269415 /nfs/dbraw/zinc/26/94/15/912269415.db2.gz LQJLAXYNXCVASH-RBUKOAKNSA-N 2 2 350.422 1.421 20 30 FDEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC001083155297 912269432 /nfs/dbraw/zinc/26/94/32/912269432.db2.gz LQJLAXYNXCVASH-RBUKOAKNSA-N 2 2 350.422 1.421 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033874959 883311029 /nfs/dbraw/zinc/31/10/29/883311029.db2.gz MNTGUJLLTVCDTQ-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033874959 883311045 /nfs/dbraw/zinc/31/10/45/883311045.db2.gz MNTGUJLLTVCDTQ-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033874959 883311068 /nfs/dbraw/zinc/31/10/68/883311068.db2.gz MNTGUJLLTVCDTQ-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033874959 883311086 /nfs/dbraw/zinc/31/10/86/883311086.db2.gz MNTGUJLLTVCDTQ-NSISKUIASA-N 2 2 370.497 1.700 20 30 FDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128945331 884251155 /nfs/dbraw/zinc/25/11/55/884251155.db2.gz VHOVOZQHGCCZLC-SJORKVTESA-N 2 2 371.489 1.722 20 30 FDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128945331 884251166 /nfs/dbraw/zinc/25/11/66/884251166.db2.gz VHOVOZQHGCCZLC-SJORKVTESA-N 2 2 371.489 1.722 20 30 FDEDLP N#Cc1ccc([C@H](O)C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000923369180 889024430 /nfs/dbraw/zinc/02/44/30/889024430.db2.gz XMEGDBAHWDLNGQ-QGZVFWFLSA-N 2 2 352.442 1.166 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000672356724 893186038 /nfs/dbraw/zinc/18/60/38/893186038.db2.gz PUBKIIILEHZLBY-LJQANCHMSA-N 2 2 370.497 1.446 20 30 FDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000672356724 893186040 /nfs/dbraw/zinc/18/60/40/893186040.db2.gz PUBKIIILEHZLBY-LJQANCHMSA-N 2 2 370.497 1.446 20 30 FDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011730 899532764 /nfs/dbraw/zinc/53/27/64/899532764.db2.gz PFXDGHBWBWCLDW-XYPHTWIQSA-N 2 2 355.910 1.534 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ncccc3C)C[C@H]21 ZINC001084417885 914377420 /nfs/dbraw/zinc/37/74/20/914377420.db2.gz KIHJTIMNAAYVFN-YZGWKJHDSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ncccc3C)C[C@H]21 ZINC001084417885 914377435 /nfs/dbraw/zinc/37/74/35/914377435.db2.gz KIHJTIMNAAYVFN-YZGWKJHDSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ncccc3C)C[C@H]21 ZINC001084417885 914377446 /nfs/dbraw/zinc/37/74/46/914377446.db2.gz KIHJTIMNAAYVFN-YZGWKJHDSA-N 2 2 352.482 1.520 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ncccc3C)C[C@H]21 ZINC001084417885 914377466 /nfs/dbraw/zinc/37/74/66/914377466.db2.gz KIHJTIMNAAYVFN-YZGWKJHDSA-N 2 2 352.482 1.520 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083167435 901916601 /nfs/dbraw/zinc/91/66/01/901916601.db2.gz OLUQKAIIDCECIT-INIZCTEOSA-N 3 2 353.474 1.477 20 30 FDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083167435 901916604 /nfs/dbraw/zinc/91/66/04/901916604.db2.gz OLUQKAIIDCECIT-INIZCTEOSA-N 3 2 353.474 1.477 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCF)C1 ZINC001079299069 902407349 /nfs/dbraw/zinc/40/73/49/902407349.db2.gz VKYXKCXGVRMEJR-UHOSZYNNSA-N 2 2 361.436 1.777 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCF)C1 ZINC001079299069 902407356 /nfs/dbraw/zinc/40/73/56/902407356.db2.gz VKYXKCXGVRMEJR-UHOSZYNNSA-N 2 2 361.436 1.777 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991840 903825563 /nfs/dbraw/zinc/82/55/63/903825563.db2.gz TZQSVYPQWWIIGD-AYOQOUSVSA-N 2 2 363.465 1.954 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991840 903825572 /nfs/dbraw/zinc/82/55/72/903825572.db2.gz TZQSVYPQWWIIGD-AYOQOUSVSA-N 2 2 363.465 1.954 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080139393 904783346 /nfs/dbraw/zinc/78/33/46/904783346.db2.gz BDTPZSBGWZFACB-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080139393 904783355 /nfs/dbraw/zinc/78/33/55/904783355.db2.gz BDTPZSBGWZFACB-FZKQIMNGSA-N 2 2 355.417 1.839 20 30 FDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000996830213 905834329 /nfs/dbraw/zinc/83/43/29/905834329.db2.gz NKYKKLJGVRFMJR-MSOLQXFVSA-N 2 2 351.491 1.023 20 30 FDEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080979370 906850232 /nfs/dbraw/zinc/85/02/32/906850232.db2.gz NBHFJSJWOCKBDH-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080979370 906850245 /nfs/dbraw/zinc/85/02/45/906850245.db2.gz NBHFJSJWOCKBDH-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080979370 906850255 /nfs/dbraw/zinc/85/02/55/906850255.db2.gz NBHFJSJWOCKBDH-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080979370 906850268 /nfs/dbraw/zinc/85/02/68/906850268.db2.gz NBHFJSJWOCKBDH-ATZDWAIDSA-N 2 2 356.470 1.215 20 30 FDEDLP CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371453 907238572 /nfs/dbraw/zinc/23/85/72/907238572.db2.gz JXPYZGHSKACJOR-RTBURBONSA-N 2 2 352.438 1.059 20 30 FDEDLP CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371453 907238595 /nfs/dbraw/zinc/23/85/95/907238595.db2.gz JXPYZGHSKACJOR-RTBURBONSA-N 2 2 352.438 1.059 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(CC)n2)C1 ZINC001082568769 908713078 /nfs/dbraw/zinc/71/30/78/908713078.db2.gz QLMAKCOUADRFMY-OIISXLGYSA-N 2 2 360.527 1.740 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(CC)n2)C1 ZINC001082568769 908713092 /nfs/dbraw/zinc/71/30/92/908713092.db2.gz QLMAKCOUADRFMY-OIISXLGYSA-N 2 2 360.527 1.740 20 30 FDEDLP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]21)C1CCC1 ZINC001083106149 912045648 /nfs/dbraw/zinc/04/56/48/912045648.db2.gz NISPRYVAHADUSR-VQTJNVASSA-N 2 2 368.481 1.454 20 30 FDEDLP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]21)C1CCC1 ZINC001083106149 912045656 /nfs/dbraw/zinc/04/56/56/912045656.db2.gz NISPRYVAHADUSR-VQTJNVASSA-N 2 2 368.481 1.454 20 30 FDEDLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21)C1CCC1 ZINC001083106149 912045663 /nfs/dbraw/zinc/04/56/63/912045663.db2.gz NISPRYVAHADUSR-VQTJNVASSA-N 2 2 368.481 1.454 20 30 FDEDLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21)C1CCC1 ZINC001083106149 912045670 /nfs/dbraw/zinc/04/56/70/912045670.db2.gz NISPRYVAHADUSR-VQTJNVASSA-N 2 2 368.481 1.454 20 30 FDEDLP N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cc1 ZINC001084687111 916205289 /nfs/dbraw/zinc/20/52/89/916205289.db2.gz LYQCTDNVVGIGHE-VQIMIIECSA-N 2 2 365.437 1.587 20 30 FDEDLP N#CCOc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cc1 ZINC001084687111 916205305 /nfs/dbraw/zinc/20/53/05/916205305.db2.gz LYQCTDNVVGIGHE-VQIMIIECSA-N 2 2 365.437 1.587 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1snnc1C ZINC001085230009 922984993 /nfs/dbraw/zinc/98/49/93/922984993.db2.gz WLTPXWFLVPILNW-OAGGEKHMSA-N 2 2 361.515 1.461 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1snnc1C ZINC001085230009 922985000 /nfs/dbraw/zinc/98/50/00/922985000.db2.gz WLTPXWFLVPILNW-OAGGEKHMSA-N 2 2 361.515 1.461 20 30 FDEDLP N#Cc1cc2nc(Cl)c(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2cc1C#N ZINC001169071891 928261558 /nfs/dbraw/zinc/26/15/58/928261558.db2.gz HEXHURSLBIAHIJ-LLVKDONJSA-N 2 2 353.773 1.074 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519952 929642920 /nfs/dbraw/zinc/64/29/20/929642920.db2.gz BIYWFPUXSKCVMG-WCZJQEMASA-N 2 2 367.453 1.360 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519952 929642922 /nfs/dbraw/zinc/64/29/22/929642922.db2.gz BIYWFPUXSKCVMG-WCZJQEMASA-N 2 2 367.453 1.360 20 30 FDEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671305 930104540 /nfs/dbraw/zinc/10/45/40/930104540.db2.gz ASTUKOBTLVTRHO-OWSLCNJRSA-N 2 2 359.474 1.145 20 30 FDEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671305 930104547 /nfs/dbraw/zinc/10/45/47/930104547.db2.gz ASTUKOBTLVTRHO-OWSLCNJRSA-N 2 2 359.474 1.145 20 30 FDEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001109671305 930104555 /nfs/dbraw/zinc/10/45/55/930104555.db2.gz ASTUKOBTLVTRHO-OWSLCNJRSA-N 2 2 359.474 1.145 20 30 FDEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001109671305 930104561 /nfs/dbraw/zinc/10/45/61/930104561.db2.gz ASTUKOBTLVTRHO-OWSLCNJRSA-N 2 2 359.474 1.145 20 30 FDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130086379 938667928 /nfs/dbraw/zinc/66/79/28/938667928.db2.gz YUQUMMXCRWRVPP-XHSDSOJGSA-N 2 2 371.489 1.675 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1cn(C)cn1 ZINC001130614850 939912028 /nfs/dbraw/zinc/91/20/28/939912028.db2.gz DSULIWLMGALJMP-FUHWJXTLSA-N 2 2 370.501 1.820 20 30 FDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1cncn1C ZINC001131020129 940452630 /nfs/dbraw/zinc/45/26/30/940452630.db2.gz LOVUMWHKUPUXKS-CGTJXYLNSA-N 2 2 368.485 1.339 20 30 FDEDLP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131613082 940792306 /nfs/dbraw/zinc/79/23/06/940792306.db2.gz VNRDWULQRSVYEY-MJGOQNOKSA-N 2 2 362.474 1.071 20 30 FDEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000812889074 941287518 /nfs/dbraw/zinc/28/75/18/941287518.db2.gz MOSUDDYSAQNJKE-MJGOQNOKSA-N 2 2 358.461 1.968 20 30 FDEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000812889074 941287524 /nfs/dbraw/zinc/28/75/24/941287524.db2.gz MOSUDDYSAQNJKE-MJGOQNOKSA-N 2 2 358.461 1.968 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000820192914 943944352 /nfs/dbraw/zinc/94/43/52/943944352.db2.gz GYCAMFLTIVBLOA-FQEVSTJZSA-N 2 2 355.482 1.873 20 30 FDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000820192914 943944355 /nfs/dbraw/zinc/94/43/55/943944355.db2.gz GYCAMFLTIVBLOA-FQEVSTJZSA-N 2 2 355.482 1.873 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000856328564 971069622 /nfs/dbraw/zinc/06/96/22/971069622.db2.gz VXDDMPZLZUDZAQ-UXHICEINSA-N 2 2 354.498 1.016 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000856328564 971069629 /nfs/dbraw/zinc/06/96/29/971069629.db2.gz VXDDMPZLZUDZAQ-UXHICEINSA-N 2 2 354.498 1.016 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000856328564 971069640 /nfs/dbraw/zinc/06/96/40/971069640.db2.gz VXDDMPZLZUDZAQ-UXHICEINSA-N 2 2 354.498 1.016 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000856328564 971069649 /nfs/dbraw/zinc/06/96/49/971069649.db2.gz VXDDMPZLZUDZAQ-UXHICEINSA-N 2 2 354.498 1.016 20 30 FDEDLP C#CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000823282346 945640245 /nfs/dbraw/zinc/64/02/45/945640245.db2.gz OFXIYUXNBOHREZ-SFHVURJKSA-N 2 2 355.482 1.987 20 30 FDEDLP C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000823282346 945640253 /nfs/dbraw/zinc/64/02/53/945640253.db2.gz OFXIYUXNBOHREZ-SFHVURJKSA-N 2 2 355.482 1.987 20 30 FDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001087008301 953095301 /nfs/dbraw/zinc/09/53/01/953095301.db2.gz YLXXIGHNDLYVQF-ZWKOTPCHSA-N 2 2 356.474 1.247 20 30 FDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433257 972247662 /nfs/dbraw/zinc/24/76/62/972247662.db2.gz HTYGIDHKOVFBBA-BMGDILEWSA-N 2 2 355.442 1.397 20 30 FDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433257 972247665 /nfs/dbraw/zinc/24/76/65/972247665.db2.gz HTYGIDHKOVFBBA-BMGDILEWSA-N 2 2 355.442 1.397 20 30 FDEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001197739335 972403561 /nfs/dbraw/zinc/40/35/61/972403561.db2.gz OGLLQQXDVJQMOD-LJQANCHMSA-N 2 2 359.470 1.531 20 30 FDEDLP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001094132348 959855210 /nfs/dbraw/zinc/85/52/10/959855210.db2.gz CJTMGTDJBJFWJK-RHSMWYFYSA-N 2 2 367.453 1.717 20 30 FDEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C[C@H]1C#N ZINC001172976291 961859597 /nfs/dbraw/zinc/85/95/97/961859597.db2.gz NLCJWMCAFXIEGE-CVEARBPZSA-N 2 2 352.479 1.324 20 30 FDEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCn2cc[nH+]c2)C3)C1=O ZINC001110193287 963380208 /nfs/dbraw/zinc/38/02/08/963380208.db2.gz XZGHUNBNILTZDH-VSZNYVQBSA-N 2 2 371.485 1.172 20 30 FDEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCn2cc[nH+]c2)C3)C1=O ZINC001110193287 963380211 /nfs/dbraw/zinc/38/02/11/963380211.db2.gz XZGHUNBNILTZDH-VSZNYVQBSA-N 2 2 371.485 1.172 20 30 FDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC12CCOCC2 ZINC001186506068 964534316 /nfs/dbraw/zinc/53/43/16/964534316.db2.gz XQVATWAIFXFEFE-GVDBMIGSSA-N 2 2 356.470 1.002 20 30 FDEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405483 966299448 /nfs/dbraw/zinc/29/94/48/966299448.db2.gz IINUADRSFQTQGO-MAUKXSAKSA-N 2 2 367.453 1.091 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405483 966299456 /nfs/dbraw/zinc/29/94/56/966299456.db2.gz IINUADRSFQTQGO-MAUKXSAKSA-N 2 2 367.453 1.091 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189794821 967272066 /nfs/dbraw/zinc/27/20/66/967272066.db2.gz YOKXLKKOKJQBAI-UONOGXRCSA-N 2 2 360.296 1.006 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189794821 967272067 /nfs/dbraw/zinc/27/20/67/967272067.db2.gz YOKXLKKOKJQBAI-UONOGXRCSA-N 2 2 360.296 1.006 20 30 FDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468838 968524423 /nfs/dbraw/zinc/52/44/23/968524423.db2.gz PRLCRYTVNXFSHX-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468838 968524425 /nfs/dbraw/zinc/52/44/25/968524425.db2.gz PRLCRYTVNXFSHX-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CCC1 ZINC001110678560 968660053 /nfs/dbraw/zinc/66/00/53/968660053.db2.gz ARMZSDYEAGNMQE-ZRNYENFQSA-N 2 2 359.514 1.622 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC1CCC1 ZINC001110678560 968660064 /nfs/dbraw/zinc/66/00/64/968660064.db2.gz ARMZSDYEAGNMQE-ZRNYENFQSA-N 2 2 359.514 1.622 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCC1CCC1 ZINC001110678560 968660073 /nfs/dbraw/zinc/66/00/73/968660073.db2.gz ARMZSDYEAGNMQE-ZRNYENFQSA-N 2 2 359.514 1.622 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCC1CCC1 ZINC001110678560 968660078 /nfs/dbraw/zinc/66/00/78/968660078.db2.gz ARMZSDYEAGNMQE-ZRNYENFQSA-N 2 2 359.514 1.622 20 30 FDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000644626149 1013865875 /nfs/dbraw/zinc/86/58/75/1013865875.db2.gz MNUIDAJVOLVJEO-IAGOWNOFSA-N 2 2 357.454 1.965 20 30 FDEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001201737070 975137457 /nfs/dbraw/zinc/13/74/57/975137457.db2.gz SBBUHVHQWNBIGN-MOPGFXCFSA-N 2 2 365.518 1.413 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[N@H+](C)C1 ZINC000332344101 983039308 /nfs/dbraw/zinc/03/93/08/983039308.db2.gz TZBFZTQKSBSZPE-ROUUACIJSA-N 2 2 356.470 1.380 20 30 FDEDLP CO[C@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[N@@H+](C)C1 ZINC000332344101 983039315 /nfs/dbraw/zinc/03/93/15/983039315.db2.gz TZBFZTQKSBSZPE-ROUUACIJSA-N 2 2 356.470 1.380 20 30 FDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCc3ccc4ccccc4n3)cn2)CC1 ZINC000872408870 987637170 /nfs/dbraw/zinc/63/71/70/987637170.db2.gz MQSFBVYKBCHDOB-UHFFFAOYSA-N 2 2 361.453 1.900 20 30 FDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC000361017131 988249583 /nfs/dbraw/zinc/24/95/83/988249583.db2.gz DQMGOKBEABEFQO-SFHVURJKSA-N 2 2 363.550 1.306 20 30 FDEDLP C#CCNC(=O)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000366942037 988857923 /nfs/dbraw/zinc/85/79/23/988857923.db2.gz CBJVISSVEMVJFT-NRFANRHFSA-N 2 2 369.509 1.739 20 30 FDEDLP C#CCNC(=O)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000366942037 988857947 /nfs/dbraw/zinc/85/79/47/988857947.db2.gz CBJVISSVEMVJFT-NRFANRHFSA-N 2 2 369.509 1.739 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000363572729 989314145 /nfs/dbraw/zinc/31/41/45/989314145.db2.gz IVBUXZSZCRRPCL-INIZCTEOSA-N 2 2 359.449 1.665 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000363572729 989314151 /nfs/dbraw/zinc/31/41/51/989314151.db2.gz IVBUXZSZCRRPCL-INIZCTEOSA-N 2 2 359.449 1.665 20 30 FDEDLP CN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370820106 990013831 /nfs/dbraw/zinc/01/38/31/990013831.db2.gz NQIFLYLBTUZLNE-IBGZPJMESA-N 2 2 370.497 1.758 20 30 FDEDLP CN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370820106 990013842 /nfs/dbraw/zinc/01/38/42/990013842.db2.gz NQIFLYLBTUZLNE-IBGZPJMESA-N 2 2 370.497 1.758 20 30 FDEDLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000876716779 992825684 /nfs/dbraw/zinc/82/56/84/992825684.db2.gz NCCSZKZFRRLFBW-CLCXKQKWSA-N 2 2 356.470 1.361 20 30 FDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000876782308 992908867 /nfs/dbraw/zinc/90/88/67/992908867.db2.gz VQWSKYFTUULUAC-GOSISDBHSA-N 2 2 364.921 1.910 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnccc1C ZINC001095556148 993432484 /nfs/dbraw/zinc/43/24/84/993432484.db2.gz AEGWVTJFWHTLTH-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnccc1C ZINC001095556148 993432493 /nfs/dbraw/zinc/43/24/93/993432493.db2.gz AEGWVTJFWHTLTH-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cnccc1C ZINC001095556148 993432502 /nfs/dbraw/zinc/43/25/02/993432502.db2.gz AEGWVTJFWHTLTH-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cnccc1C ZINC001095556148 993432513 /nfs/dbraw/zinc/43/25/13/993432513.db2.gz AEGWVTJFWHTLTH-FYQPLNBISA-N 2 2 352.482 1.709 20 30 FDEDLP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000879592507 995061846 /nfs/dbraw/zinc/06/18/46/995061846.db2.gz MJADLUUXXPXITM-HXUWFJFHSA-N 2 2 367.497 1.375 20 30 FDEDLP COC[C@@H](C)NC(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264111675 997403851 /nfs/dbraw/zinc/40/38/51/997403851.db2.gz QYMNWSVKKREIEY-GOSISDBHSA-N 2 2 361.534 1.524 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001111023637 1004744879 /nfs/dbraw/zinc/74/48/79/1004744879.db2.gz TXXLXOJYBSABEQ-WWNBULGVSA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001111023637 1004744891 /nfs/dbraw/zinc/74/48/91/1004744891.db2.gz TXXLXOJYBSABEQ-WWNBULGVSA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001111023637 1004744897 /nfs/dbraw/zinc/74/48/97/1004744897.db2.gz TXXLXOJYBSABEQ-WWNBULGVSA-N 2 2 365.493 1.570 20 30 FDEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001111023637 1004744905 /nfs/dbraw/zinc/74/49/05/1004744905.db2.gz TXXLXOJYBSABEQ-WWNBULGVSA-N 2 2 365.493 1.570 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150326 1006476507 /nfs/dbraw/zinc/47/65/07/1006476507.db2.gz KQLDXYQIKMNQMQ-DDBAPUKQSA-N 2 2 373.501 1.384 20 30 FDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150326 1006476509 /nfs/dbraw/zinc/47/65/09/1006476509.db2.gz KQLDXYQIKMNQMQ-DDBAPUKQSA-N 2 2 373.501 1.384 20 30 FDEDLP C=CCn1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000648351379 1010450713 /nfs/dbraw/zinc/45/07/13/1010450713.db2.gz UTJIPEPVRJUHPB-RTBURBONSA-N 2 2 374.533 1.873 20 30 FDEDLP C=CCn1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000648351379 1010450722 /nfs/dbraw/zinc/45/07/22/1010450722.db2.gz UTJIPEPVRJUHPB-RTBURBONSA-N 2 2 374.533 1.873 20 30 FDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268187752 180020087 /nfs/dbraw/zinc/02/00/87/180020087.db2.gz UZFCGIQAVXAOEJ-JXFKEZNVSA-N 2 2 367.497 1.868 20 30 FDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268187752 180020091 /nfs/dbraw/zinc/02/00/91/180020091.db2.gz UZFCGIQAVXAOEJ-JXFKEZNVSA-N 2 2 367.497 1.868 20 30 FDEDLP N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000533312203 540230006 /nfs/dbraw/zinc/23/00/06/540230006.db2.gz BPEGMOCVIRUAIM-UHFFFAOYSA-N 2 2 367.428 1.921 20 30 FDEDLP N#Cc1ccc(N2CCC([NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000286246157 183023547 /nfs/dbraw/zinc/02/35/47/183023547.db2.gz UEJUHQQQHLBKHC-LJQANCHMSA-N 2 2 355.486 1.456 20 30 FDEDLP N#Cc1ccc(N2CCC([NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000286246157 183023550 /nfs/dbraw/zinc/02/35/50/183023550.db2.gz UEJUHQQQHLBKHC-LJQANCHMSA-N 2 2 355.486 1.456 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000548926492 542808382 /nfs/dbraw/zinc/80/83/82/542808382.db2.gz UXCWEWVLZJKOQW-HXUWFJFHSA-N 2 2 366.465 1.947 20 30 FDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000101558581 172334119 /nfs/dbraw/zinc/33/41/19/172334119.db2.gz NLSOIRFHMLDDNG-MRXNPFEDSA-N 2 2 373.476 1.372 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNC(=O)c3ccn[nH]3)CC2)cc1 ZINC000180209013 258363691 /nfs/dbraw/zinc/36/36/91/258363691.db2.gz FZEQLISXJDFPDZ-UHFFFAOYSA-N 2 2 352.442 1.265 20 30 FDEDLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000328815388 259059839 /nfs/dbraw/zinc/05/98/39/259059839.db2.gz CJOCVAHLTQJGTM-LPHOPBHVSA-N 2 2 359.470 1.483 20 30 FDEDLP C[C@H]1C[N@H+](C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000328815388 259059840 /nfs/dbraw/zinc/05/98/40/259059840.db2.gz CJOCVAHLTQJGTM-LPHOPBHVSA-N 2 2 359.470 1.483 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332071991 259238985 /nfs/dbraw/zinc/23/89/85/259238985.db2.gz WDFLQPKOTQCRIB-FUHIMQAGSA-N 2 2 369.513 1.843 20 30 FDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332071991 259238986 /nfs/dbraw/zinc/23/89/86/259238986.db2.gz WDFLQPKOTQCRIB-FUHIMQAGSA-N 2 2 369.513 1.843 20 30 FDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000333914298 259393432 /nfs/dbraw/zinc/39/34/32/259393432.db2.gz MJLROFMONPBLDM-XUVXKRRUSA-N 2 2 367.497 1.774 20 30 FDEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000367574173 260062952 /nfs/dbraw/zinc/06/29/52/260062952.db2.gz HBESRBDGGPROAY-NQIIRXRSSA-N 2 2 371.529 1.632 20 30 FDEDLP C[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368860655 260250660 /nfs/dbraw/zinc/25/06/60/260250660.db2.gz XXIVDQNHSAMQAJ-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368860655 260250662 /nfs/dbraw/zinc/25/06/62/260250662.db2.gz XXIVDQNHSAMQAJ-UHFFFAOYSA-N 2 2 370.497 1.750 20 30 FDEDLP C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374323375 261110669 /nfs/dbraw/zinc/11/06/69/261110669.db2.gz IBMPZDXQTDXOOF-FXAWDEMLSA-N 2 2 369.513 1.132 20 30 FDEDLP C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374323375 261110671 /nfs/dbraw/zinc/11/06/71/261110671.db2.gz IBMPZDXQTDXOOF-FXAWDEMLSA-N 2 2 369.513 1.132 20 30 FDEDLP C[N@@H+]1CCN(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C(=O)C1 ZINC000374725025 261181936 /nfs/dbraw/zinc/18/19/36/261181936.db2.gz CLQLRMLYTXXJAY-UHFFFAOYSA-N 2 2 356.470 1.566 20 30 FDEDLP C[N@H+]1CCN(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C(=O)C1 ZINC000374725025 261181939 /nfs/dbraw/zinc/18/19/39/261181939.db2.gz CLQLRMLYTXXJAY-UHFFFAOYSA-N 2 2 356.470 1.566 20 30 FDEDLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccc(C#N)s1 ZINC000378573420 262047477 /nfs/dbraw/zinc/04/74/77/262047477.db2.gz ZESIICOFXMSJAG-HOCLYGCPSA-N 2 2 362.499 1.594 20 30 FDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCCn2cc[nH+]c2)CC1=O ZINC000121461439 524264741 /nfs/dbraw/zinc/26/47/41/524264741.db2.gz KFFBXMSXUGMGAM-UHFFFAOYSA-N 2 2 350.426 1.933 20 30 FDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)o1 ZINC000174384282 524560735 /nfs/dbraw/zinc/56/07/35/524560735.db2.gz HSLMUDDVQGWWCU-OAHLLOKOSA-N 2 2 368.441 1.536 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000092618803 524899634 /nfs/dbraw/zinc/89/96/34/524899634.db2.gz PJORYMRADTVABO-MOPGFXCFSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000092618803 524899645 /nfs/dbraw/zinc/89/96/45/524899645.db2.gz PJORYMRADTVABO-MOPGFXCFSA-N 2 2 361.534 1.096 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000161866195 525181072 /nfs/dbraw/zinc/18/10/72/525181072.db2.gz GTXUEOVVHRUOLO-INIZCTEOSA-N 2 2 361.515 1.660 20 30 FDEDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000161866195 525181079 /nfs/dbraw/zinc/18/10/79/525181079.db2.gz GTXUEOVVHRUOLO-INIZCTEOSA-N 2 2 361.515 1.660 20 30 FDEDLP COc1ccc(CNC(=[NH2+])NCCc2cn3ccccc3[nH+]2)cc1OC ZINC000104159484 525398618 /nfs/dbraw/zinc/39/86/18/525398618.db2.gz OJLKSGHAOQLGBC-UHFFFAOYSA-N 2 2 353.426 1.999 20 30 FDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000329864104 537644331 /nfs/dbraw/zinc/64/43/31/537644331.db2.gz SLDNUXATTPHJBP-QZTJIDSGSA-N 2 2 353.507 1.943 20 30 FDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000329864104 537644334 /nfs/dbraw/zinc/64/43/34/537644334.db2.gz SLDNUXATTPHJBP-QZTJIDSGSA-N 2 2 353.507 1.943 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329864104 537644338 /nfs/dbraw/zinc/64/43/38/537644338.db2.gz SLDNUXATTPHJBP-QZTJIDSGSA-N 2 2 353.507 1.943 20 30 FDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329864104 537644343 /nfs/dbraw/zinc/64/43/43/537644343.db2.gz SLDNUXATTPHJBP-QZTJIDSGSA-N 2 2 353.507 1.943 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000420973463 538370480 /nfs/dbraw/zinc/37/04/80/538370480.db2.gz CNEWFCOSOWDDSF-FQEVSTJZSA-N 2 2 369.513 1.577 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000420973463 538370486 /nfs/dbraw/zinc/37/04/86/538370486.db2.gz CNEWFCOSOWDDSF-FQEVSTJZSA-N 2 2 369.513 1.577 20 30 FDEDLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000420973463 538370490 /nfs/dbraw/zinc/37/04/90/538370490.db2.gz CNEWFCOSOWDDSF-FQEVSTJZSA-N 2 2 369.513 1.577 20 30 FDEDLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000420973463 538370496 /nfs/dbraw/zinc/37/04/96/538370496.db2.gz CNEWFCOSOWDDSF-FQEVSTJZSA-N 2 2 369.513 1.577 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CCC(C)(C)C#N)CC2)CC1 ZINC000567608822 548179896 /nfs/dbraw/zinc/17/98/96/548179896.db2.gz OVLBWBPOBLXFNW-UHFFFAOYSA-N 2 2 370.563 1.748 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CCC(C)(C)C#N)CC2)CC1 ZINC000567608822 548179901 /nfs/dbraw/zinc/17/99/01/548179901.db2.gz OVLBWBPOBLXFNW-UHFFFAOYSA-N 2 2 370.563 1.748 20 30 FDEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CC(C)(C)CC#N)CC2)CC1 ZINC000570679771 549371812 /nfs/dbraw/zinc/37/18/12/549371812.db2.gz YDMYUDPBCHHZCV-UHFFFAOYSA-N 2 2 370.563 1.748 20 30 FDEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CC(C)(C)CC#N)CC2)CC1 ZINC000570679771 549371815 /nfs/dbraw/zinc/37/18/15/549371815.db2.gz YDMYUDPBCHHZCV-UHFFFAOYSA-N 2 2 370.563 1.748 20 30 FDEDLP CC[NH+](CC)CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000583776327 551400603 /nfs/dbraw/zinc/40/06/03/551400603.db2.gz ZUZOBWYXVZNAAN-UHFFFAOYSA-N 2 2 364.515 1.781 20 30 FDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000591305219 551859613 /nfs/dbraw/zinc/85/96/13/551859613.db2.gz IBMOHLITOJTPCE-LBPRGKRZSA-N 2 2 357.336 1.563 20 30 FDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000591305219 551859611 /nfs/dbraw/zinc/85/96/11/551859611.db2.gz IBMOHLITOJTPCE-LBPRGKRZSA-N 2 2 357.336 1.563 20 30 FDEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c[nH+]2)C[C@H](C)O1 ZINC000594440941 552310952 /nfs/dbraw/zinc/31/09/52/552310952.db2.gz JPVZQXOUIUPCGG-HLLBOEOZSA-N 2 2 359.474 1.723 20 30 FDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000594802797 552390987 /nfs/dbraw/zinc/39/09/87/552390987.db2.gz CJHNGBWLPIMMMY-ZDUSSCGKSA-N 2 2 372.922 1.762 20 30 FDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000594802797 552390989 /nfs/dbraw/zinc/39/09/89/552390989.db2.gz CJHNGBWLPIMMMY-ZDUSSCGKSA-N 2 2 372.922 1.762 20 30 FDEDLP Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000595108574 552453590 /nfs/dbraw/zinc/45/35/90/552453590.db2.gz SMVWMOWTKVNQSR-AWEZNQCLSA-N 2 2 359.474 1.193 20 30 FDEDLP Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000595108574 552453591 /nfs/dbraw/zinc/45/35/91/552453591.db2.gz SMVWMOWTKVNQSR-AWEZNQCLSA-N 2 2 359.474 1.193 20 30 FDEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000595468648 552567261 /nfs/dbraw/zinc/56/72/61/552567261.db2.gz AUXUANCWEISPOU-LJQANCHMSA-N 2 2 356.470 1.361 20 30 FDEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000595468648 552567263 /nfs/dbraw/zinc/56/72/63/552567263.db2.gz AUXUANCWEISPOU-LJQANCHMSA-N 2 2 356.470 1.361 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595862427 552624878 /nfs/dbraw/zinc/62/48/78/552624878.db2.gz BNBVWPQHQUZZEN-OALUTQOASA-N 2 2 359.470 1.023 20 30 FDEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595862427 552624879 /nfs/dbraw/zinc/62/48/79/552624879.db2.gz BNBVWPQHQUZZEN-OALUTQOASA-N 2 2 359.470 1.023 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597026621 552736448 /nfs/dbraw/zinc/73/64/48/552736448.db2.gz PPRQGLJZNTXMIF-IBGZPJMESA-N 2 2 352.482 1.980 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597026621 552736450 /nfs/dbraw/zinc/73/64/50/552736450.db2.gz PPRQGLJZNTXMIF-IBGZPJMESA-N 2 2 352.482 1.980 20 30 FDEDLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599193999 552982198 /nfs/dbraw/zinc/98/21/98/552982198.db2.gz IONGXEYJDZWDGY-IBGZPJMESA-N 2 2 371.485 1.106 20 30 FDEDLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599193999 552982200 /nfs/dbraw/zinc/98/22/00/552982200.db2.gz IONGXEYJDZWDGY-IBGZPJMESA-N 2 2 371.485 1.106 20 30 FDEDLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599193999 552982202 /nfs/dbraw/zinc/98/22/02/552982202.db2.gz IONGXEYJDZWDGY-IBGZPJMESA-N 2 2 371.485 1.106 20 30 FDEDLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599193999 552982203 /nfs/dbraw/zinc/98/22/03/552982203.db2.gz IONGXEYJDZWDGY-IBGZPJMESA-N 2 2 371.485 1.106 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000602081725 553515632 /nfs/dbraw/zinc/51/56/32/553515632.db2.gz AIUZOJASVYNLLS-LJQANCHMSA-N 2 2 358.486 1.963 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000602081725 553515634 /nfs/dbraw/zinc/51/56/34/553515634.db2.gz AIUZOJASVYNLLS-LJQANCHMSA-N 2 2 358.486 1.963 20 30 FDEDLP N#Cc1cccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000602533164 553600526 /nfs/dbraw/zinc/60/05/26/553600526.db2.gz OQXAYUIXJZYBSB-UHFFFAOYSA-N 2 2 350.426 1.177 20 30 FDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602536591 553601106 /nfs/dbraw/zinc/60/11/06/553601106.db2.gz IDJDAVGUTKWWHC-SJORKVTESA-N 2 2 358.490 1.811 20 30 FDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000619719772 555825850 /nfs/dbraw/zinc/82/58/50/555825850.db2.gz BSFCQVWIYHRJGC-KRWDZBQOSA-N 2 2 351.491 1.418 20 30 FDEDLP C=C(C)[C@@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823873496 608383094 /nfs/dbraw/zinc/38/30/94/608383094.db2.gz MXDVTXKOBGDQDQ-QGZVFWFLSA-N 2 2 365.441 1.474 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261942045 672698395 /nfs/dbraw/zinc/69/83/95/672698395.db2.gz DRYHYCUETTVKAG-FCEWJHQRSA-N 2 2 352.523 1.562 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261942045 672698400 /nfs/dbraw/zinc/69/84/00/672698400.db2.gz DRYHYCUETTVKAG-FCEWJHQRSA-N 2 2 352.523 1.562 20 30 FDEDLP C[NH+]=C(NC[C@H](C)[NH+]1CCC(C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262019330 672712682 /nfs/dbraw/zinc/71/26/82/672712682.db2.gz YMEVEZZAWFUCNM-HNNXBMFYSA-N 2 2 358.552 1.191 20 30 FDEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCC[C@]2(CCCOC2)C1 ZINC000262767347 672845709 /nfs/dbraw/zinc/84/57/09/672845709.db2.gz GMCOLLPBRJTMPN-SFHVURJKSA-N 2 2 354.564 1.893 20 30 FDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000262789081 672849908 /nfs/dbraw/zinc/84/99/08/672849908.db2.gz NJMBVRNYMFQWRV-UHFFFAOYSA-N 3 2 353.580 1.607 20 30 FDEDLP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262794518 672850227 /nfs/dbraw/zinc/85/02/27/672850227.db2.gz OXEMPFJODLBRQB-FUHWJXTLSA-N 3 2 351.564 1.335 20 30 FDEDLP CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000303790338 676542955 /nfs/dbraw/zinc/54/29/55/676542955.db2.gz WBWJMVGDCKAXNH-ROUUACIJSA-N 3 2 353.555 1.512 20 30 FDEDLP CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000303790338 676542957 /nfs/dbraw/zinc/54/29/57/676542957.db2.gz WBWJMVGDCKAXNH-ROUUACIJSA-N 3 2 353.555 1.512 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)CC1 ZINC000328841965 676609153 /nfs/dbraw/zinc/60/91/53/676609153.db2.gz PXFFAGFADYWLLF-QZTJIDSGSA-N 2 2 350.507 1.616 20 30 FDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000328971600 676614533 /nfs/dbraw/zinc/61/45/33/676614533.db2.gz BPUNYURBPNZXCW-IAGOWNOFSA-N 2 2 353.507 1.945 20 30 FDEDLP CO[C@@H]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329279626 676630497 /nfs/dbraw/zinc/63/04/97/676630497.db2.gz JYHSIYRANVYSPP-CRAIPNDOSA-N 2 2 352.523 1.864 20 30 FDEDLP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969958129 771117914 /nfs/dbraw/zinc/11/79/14/771117914.db2.gz ISRUTKOKIFBOKB-IIYDPXPESA-N 2 2 362.499 1.275 20 30 FDEDLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969958129 771117916 /nfs/dbraw/zinc/11/79/16/771117916.db2.gz ISRUTKOKIFBOKB-IIYDPXPESA-N 2 2 362.499 1.275 20 30 FDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970197690 772041838 /nfs/dbraw/zinc/04/18/38/772041838.db2.gz FAQAHIBMYCGQGZ-QRQLOZEOSA-N 2 2 365.518 1.269 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(C#N)s3)C2)O1 ZINC000971781675 779069136 /nfs/dbraw/zinc/06/91/36/779069136.db2.gz LXKDJOPZAHPHDP-JKIFEVAISA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(C#N)s3)C2)O1 ZINC000971781675 779069143 /nfs/dbraw/zinc/06/91/43/779069143.db2.gz LXKDJOPZAHPHDP-JKIFEVAISA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)s3)C2)O1 ZINC000971781675 779069153 /nfs/dbraw/zinc/06/91/53/779069153.db2.gz LXKDJOPZAHPHDP-JKIFEVAISA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)O1 ZINC000971781675 779069158 /nfs/dbraw/zinc/06/91/58/779069158.db2.gz LXKDJOPZAHPHDP-JKIFEVAISA-N 2 2 362.499 1.372 20 30 FDEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001024506506 784967647 /nfs/dbraw/zinc/96/76/47/784967647.db2.gz MCRZBVRVNLXBNY-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(C#N)c2)O1 ZINC001024506506 784967650 /nfs/dbraw/zinc/96/76/50/784967650.db2.gz MCRZBVRVNLXBNY-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)O1 ZINC001024506506 784967653 /nfs/dbraw/zinc/96/76/53/784967653.db2.gz MCRZBVRVNLXBNY-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)O1 ZINC001024506506 784967658 /nfs/dbraw/zinc/96/76/58/784967658.db2.gz MCRZBVRVNLXBNY-LSTHTHJFSA-N 2 2 370.497 1.748 20 30 FDEDLP C=CC[C@]1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662700212 806971738 /nfs/dbraw/zinc/97/17/38/806971738.db2.gz UUJOSWDCWWRFFI-OAQYLSRUSA-N 2 2 373.497 1.712 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)cc1 ZINC000978289024 805326730 /nfs/dbraw/zinc/32/67/30/805326730.db2.gz FHURGICDKDAFRJ-NNIGNNQHSA-N 2 2 361.449 1.879 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)cc1 ZINC000978289024 805326740 /nfs/dbraw/zinc/32/67/40/805326740.db2.gz FHURGICDKDAFRJ-NNIGNNQHSA-N 2 2 361.449 1.879 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)cc1 ZINC000978289024 805326749 /nfs/dbraw/zinc/32/67/49/805326749.db2.gz FHURGICDKDAFRJ-NNIGNNQHSA-N 2 2 361.449 1.879 20 30 FDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)cc1 ZINC000978289024 805326758 /nfs/dbraw/zinc/32/67/58/805326758.db2.gz FHURGICDKDAFRJ-NNIGNNQHSA-N 2 2 361.449 1.879 20 30 FDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C(F)(F)F ZINC001112123441 810407834 /nfs/dbraw/zinc/40/78/34/810407834.db2.gz JQBUYTCPHYZRLM-BFHYXJOUSA-N 2 2 354.376 1.448 20 30 FDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000261663512 811293253 /nfs/dbraw/zinc/29/32/53/811293253.db2.gz BALWQFMZRXGCOY-GDBMZVCRSA-N 2 2 358.494 1.341 20 30 FDEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)N1CCN(c2ncccn2)CC1 ZINC000261964165 811354928 /nfs/dbraw/zinc/35/49/28/811354928.db2.gz ALIJQHAACNRJLD-UHFFFAOYSA-N 2 2 362.441 1.299 20 30 FDEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000517005932 817171542 /nfs/dbraw/zinc/17/15/42/817171542.db2.gz JMAZIQRTBBSOBI-OAHLLOKOSA-N 2 2 369.473 1.052 20 30 FDEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000517005932 817171547 /nfs/dbraw/zinc/17/15/47/817171547.db2.gz JMAZIQRTBBSOBI-OAHLLOKOSA-N 2 2 369.473 1.052 20 30 FDEDLP CN1CC[NH+](CC2(C)CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CC2)CC1 ZINC000329581007 824901533 /nfs/dbraw/zinc/90/15/33/824901533.db2.gz AALYGDAUZOTIES-MRXNPFEDSA-N 2 2 374.533 1.531 20 30 FDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)s1 ZINC001088120994 826496982 /nfs/dbraw/zinc/49/69/82/826496982.db2.gz JJWJQMRWQZGIOI-KGLIPLIRSA-N 2 2 355.467 1.866 20 30 FDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)s1 ZINC001088120994 826496986 /nfs/dbraw/zinc/49/69/86/826496986.db2.gz JJWJQMRWQZGIOI-KGLIPLIRSA-N 2 2 355.467 1.866 20 30 FDEDLP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001088238611 827651063 /nfs/dbraw/zinc/65/10/63/827651063.db2.gz YMQHNJYLGDKOKW-GUDVDZBRSA-N 2 2 370.497 1.486 20 30 FDEDLP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001088238611 827651064 /nfs/dbraw/zinc/65/10/64/827651064.db2.gz YMQHNJYLGDKOKW-GUDVDZBRSA-N 2 2 370.497 1.486 20 30 FDEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083456428 837343884 /nfs/dbraw/zinc/34/38/84/837343884.db2.gz ULKOEDMWIABVQC-QRVBRYPASA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083456428 837343897 /nfs/dbraw/zinc/34/38/97/837343897.db2.gz ULKOEDMWIABVQC-QRVBRYPASA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083456428 837343913 /nfs/dbraw/zinc/34/39/13/837343913.db2.gz ULKOEDMWIABVQC-QRVBRYPASA-N 2 2 356.470 1.092 20 30 FDEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083456428 837343922 /nfs/dbraw/zinc/34/39/22/837343922.db2.gz ULKOEDMWIABVQC-QRVBRYPASA-N 2 2 356.470 1.092 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088659119 839464941 /nfs/dbraw/zinc/46/49/41/839464941.db2.gz JCNUCGFTUYLPJZ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088659119 839464945 /nfs/dbraw/zinc/46/49/45/839464945.db2.gz JCNUCGFTUYLPJZ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(C#N)ccc1F ZINC001088659119 839464949 /nfs/dbraw/zinc/46/49/49/839464949.db2.gz JCNUCGFTUYLPJZ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(C#N)ccc1F ZINC001088659119 839464950 /nfs/dbraw/zinc/46/49/50/839464950.db2.gz JCNUCGFTUYLPJZ-TUFGIGEDSA-N 2 2 374.460 1.495 20 30 FDEDLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)cc1C#N ZINC001088749957 842894010 /nfs/dbraw/zinc/89/40/10/842894010.db2.gz ZETUJYFBBABGJN-QAPCUYQASA-N 2 2 367.453 1.851 20 30 FDEDLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)cc1C#N ZINC001088749957 842894016 /nfs/dbraw/zinc/89/40/16/842894016.db2.gz ZETUJYFBBABGJN-QAPCUYQASA-N 2 2 367.453 1.851 20 30 FDEDLP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000899967837 846955745 /nfs/dbraw/zinc/95/57/45/846955745.db2.gz XORRGCNKPMHHHM-HXUWFJFHSA-N 2 2 356.470 1.049 20 30 FDEDLP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000899967837 846955749 /nfs/dbraw/zinc/95/57/49/846955749.db2.gz XORRGCNKPMHHHM-HXUWFJFHSA-N 2 2 356.470 1.049 20 30 FDEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467402 848193750 /nfs/dbraw/zinc/19/37/50/848193750.db2.gz KWKGOKQYEQRDLR-UONOGXRCSA-N 2 2 354.292 1.524 20 30 FDEDLP C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467402 848193756 /nfs/dbraw/zinc/19/37/56/848193756.db2.gz KWKGOKQYEQRDLR-UONOGXRCSA-N 2 2 354.292 1.524 20 30 FDEDLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001076568882 848462531 /nfs/dbraw/zinc/46/25/31/848462531.db2.gz BCYFMFGJVBKONO-TXPKVOOTSA-N 2 2 356.445 1.682 20 30 FDEDLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001076568882 848462536 /nfs/dbraw/zinc/46/25/36/848462536.db2.gz BCYFMFGJVBKONO-TXPKVOOTSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001076568882 848462539 /nfs/dbraw/zinc/46/25/39/848462539.db2.gz BCYFMFGJVBKONO-TXPKVOOTSA-N 2 2 356.445 1.682 20 30 FDEDLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)C1 ZINC001076568882 848462545 /nfs/dbraw/zinc/46/25/45/848462545.db2.gz BCYFMFGJVBKONO-TXPKVOOTSA-N 2 2 356.445 1.682 20 30 FDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000905438450 851942316 /nfs/dbraw/zinc/94/23/16/851942316.db2.gz KIEMWUWVUAKCMK-WOJBJXKFSA-N 2 2 357.502 1.589 20 30 FDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000905438450 851942320 /nfs/dbraw/zinc/94/23/20/851942320.db2.gz KIEMWUWVUAKCMK-WOJBJXKFSA-N 2 2 357.502 1.589 20 30 FDEDLP C[NH+](CCC#N)C[C@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000905438450 851942323 /nfs/dbraw/zinc/94/23/23/851942323.db2.gz KIEMWUWVUAKCMK-WOJBJXKFSA-N 2 2 357.502 1.589 20 30 FDEDLP C[NH+](CCC#N)C[C@H](O)CNc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000905438450 851942329 /nfs/dbraw/zinc/94/23/29/851942329.db2.gz KIEMWUWVUAKCMK-WOJBJXKFSA-N 2 2 357.502 1.589 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000908437678 855423426 /nfs/dbraw/zinc/42/34/26/855423426.db2.gz RDZRRNFHIHXIOJ-SFHVURJKSA-N 2 2 373.501 1.089 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000908437678 855423437 /nfs/dbraw/zinc/42/34/37/855423437.db2.gz RDZRRNFHIHXIOJ-SFHVURJKSA-N 2 2 373.501 1.089 20 30 FDEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000908437678 855423441 /nfs/dbraw/zinc/42/34/41/855423441.db2.gz RDZRRNFHIHXIOJ-SFHVURJKSA-N 2 2 373.501 1.089 20 30 FDEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000908437678 855423445 /nfs/dbraw/zinc/42/34/45/855423445.db2.gz RDZRRNFHIHXIOJ-SFHVURJKSA-N 2 2 373.501 1.089 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3snnc3C)[C@@H]2C)CC1 ZINC001089059768 866387869 /nfs/dbraw/zinc/38/78/69/866387869.db2.gz ZZVACHRDZQPPGC-ZBFHGGJFSA-N 2 2 361.515 1.271 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3snnc3C)[C@@H]2C)CC1 ZINC001089059768 866387872 /nfs/dbraw/zinc/38/78/72/866387872.db2.gz ZZVACHRDZQPPGC-ZBFHGGJFSA-N 2 2 361.515 1.271 20 30 FDEDLP C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831464 879130684 /nfs/dbraw/zinc/13/06/84/879130684.db2.gz MXLWDUOLCSSQRO-DBVUQKKJSA-N 2 2 370.497 1.484 20 30 FDEDLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831464 879130687 /nfs/dbraw/zinc/13/06/87/879130687.db2.gz MXLWDUOLCSSQRO-DBVUQKKJSA-N 2 2 370.497 1.484 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033875767 883317619 /nfs/dbraw/zinc/31/76/19/883317619.db2.gz ZUXCIGSSTJVUQQ-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033875767 883317640 /nfs/dbraw/zinc/31/76/40/883317640.db2.gz ZUXCIGSSTJVUQQ-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033875767 883317660 /nfs/dbraw/zinc/31/76/60/883317660.db2.gz ZUXCIGSSTJVUQQ-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033875767 883317680 /nfs/dbraw/zinc/31/76/80/883317680.db2.gz ZUXCIGSSTJVUQQ-LSTHTHJFSA-N 2 2 370.497 1.700 20 30 FDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084231974 913781964 /nfs/dbraw/zinc/78/19/64/913781964.db2.gz QLGJBOCZZUXSIQ-YZGWKJHDSA-N 2 2 355.457 1.804 20 30 FDEDLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084231974 913781975 /nfs/dbraw/zinc/78/19/75/913781975.db2.gz QLGJBOCZZUXSIQ-YZGWKJHDSA-N 2 2 355.457 1.804 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084231974 913781982 /nfs/dbraw/zinc/78/19/82/913781982.db2.gz QLGJBOCZZUXSIQ-YZGWKJHDSA-N 2 2 355.457 1.804 20 30 FDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084231974 913781994 /nfs/dbraw/zinc/78/19/94/913781994.db2.gz QLGJBOCZZUXSIQ-YZGWKJHDSA-N 2 2 355.457 1.804 20 30 FDEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000921759189 897723445 /nfs/dbraw/zinc/72/34/45/897723445.db2.gz QPIKVLKPQAGZMG-SFHVURJKSA-N 2 2 356.470 1.198 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079138201 902018562 /nfs/dbraw/zinc/01/85/62/902018562.db2.gz SXCATONJXWSASL-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001079138201 902018570 /nfs/dbraw/zinc/01/85/70/902018570.db2.gz SXCATONJXWSASL-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079138201 902018577 /nfs/dbraw/zinc/01/85/77/902018577.db2.gz SXCATONJXWSASL-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079138201 902018579 /nfs/dbraw/zinc/01/85/79/902018579.db2.gz SXCATONJXWSASL-XUVXKRRUSA-N 2 2 355.482 1.178 20 30 FDEDLP C=CCC[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079239467 902187054 /nfs/dbraw/zinc/18/70/54/902187054.db2.gz VRWCHKQNLUMORL-DLBZAZTESA-N 2 2 358.486 1.858 20 30 FDEDLP C#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263907 902308264 /nfs/dbraw/zinc/30/82/64/902308264.db2.gz RAOVWIJIXJNRLL-FGTMMUONSA-N 2 2 356.470 1.407 20 30 FDEDLP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080138662 904780885 /nfs/dbraw/zinc/78/08/85/904780885.db2.gz LLRKIRNNPNLWPQ-RDTXWAMCSA-N 2 2 367.453 1.709 20 30 FDEDLP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080138662 904780891 /nfs/dbraw/zinc/78/08/91/904780891.db2.gz LLRKIRNNPNLWPQ-RDTXWAMCSA-N 2 2 367.453 1.709 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001107454379 905012671 /nfs/dbraw/zinc/01/26/71/905012671.db2.gz CDYRFHSCOVTCSZ-DBXWQHBBSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001107454379 905012683 /nfs/dbraw/zinc/01/26/83/905012683.db2.gz CDYRFHSCOVTCSZ-DBXWQHBBSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001107454772 905014666 /nfs/dbraw/zinc/01/46/66/905014666.db2.gz NDMVXIQHGHJNJO-YFVAEKQCSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001107454772 905014683 /nfs/dbraw/zinc/01/46/83/905014683.db2.gz NDMVXIQHGHJNJO-YFVAEKQCSA-N 2 2 370.497 1.456 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573811 905719852 /nfs/dbraw/zinc/71/98/52/905719852.db2.gz KJMOOYABTSLNLO-ILZDJORESA-N 2 2 358.486 1.599 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573811 905719859 /nfs/dbraw/zinc/71/98/59/905719859.db2.gz KJMOOYABTSLNLO-ILZDJORESA-N 2 2 358.486 1.599 20 30 FDEDLP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573811 905719866 /nfs/dbraw/zinc/71/98/66/905719866.db2.gz KJMOOYABTSLNLO-ILZDJORESA-N 2 2 358.486 1.599 20 30 FDEDLP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573811 905719874 /nfs/dbraw/zinc/71/98/74/905719874.db2.gz KJMOOYABTSLNLO-ILZDJORESA-N 2 2 358.486 1.599 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082134083 905936631 /nfs/dbraw/zinc/93/66/31/905936631.db2.gz ZJHQJQHAFKTIEV-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082134083 905936638 /nfs/dbraw/zinc/93/66/38/905936638.db2.gz ZJHQJQHAFKTIEV-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082134083 905936641 /nfs/dbraw/zinc/93/66/41/905936641.db2.gz ZJHQJQHAFKTIEV-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082134083 905936648 /nfs/dbraw/zinc/93/66/48/905936648.db2.gz ZJHQJQHAFKTIEV-ATZDWAIDSA-N 2 2 356.470 1.358 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080779464 906244809 /nfs/dbraw/zinc/24/48/09/906244809.db2.gz OUJJXBJOXDDLGV-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080779464 906244822 /nfs/dbraw/zinc/24/48/22/906244822.db2.gz OUJJXBJOXDDLGV-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080779464 906244842 /nfs/dbraw/zinc/24/48/42/906244842.db2.gz OUJJXBJOXDDLGV-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080779464 906244864 /nfs/dbraw/zinc/24/48/64/906244864.db2.gz OUJJXBJOXDDLGV-SPYBWZPUSA-N 2 2 358.461 1.976 20 30 FDEDLP CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326759 906908998 /nfs/dbraw/zinc/90/89/98/906908998.db2.gz PPGUENZQXAIFBS-KBRIMQKVSA-N 2 2 362.499 1.277 20 30 FDEDLP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326759 906909001 /nfs/dbraw/zinc/90/90/01/906909001.db2.gz PPGUENZQXAIFBS-KBRIMQKVSA-N 2 2 362.499 1.277 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326759 906909003 /nfs/dbraw/zinc/90/90/03/906909003.db2.gz PPGUENZQXAIFBS-KBRIMQKVSA-N 2 2 362.499 1.277 20 30 FDEDLP CO[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326759 906909005 /nfs/dbraw/zinc/90/90/05/906909005.db2.gz PPGUENZQXAIFBS-KBRIMQKVSA-N 2 2 362.499 1.277 20 30 FDEDLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082673271 909510425 /nfs/dbraw/zinc/51/04/25/909510425.db2.gz ATEBEQJUXWMQMN-VQIMIIECSA-N 2 2 367.453 1.812 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000730104961 916136485 /nfs/dbraw/zinc/13/64/85/916136485.db2.gz XDBPJSHWMVOKSH-SFTDATJTSA-N 2 2 368.525 1.579 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000730104961 916136493 /nfs/dbraw/zinc/13/64/93/916136493.db2.gz XDBPJSHWMVOKSH-SFTDATJTSA-N 2 2 368.525 1.579 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(C)C[C@H]1c1ccccc1 ZINC000730104961 916136498 /nfs/dbraw/zinc/13/64/98/916136498.db2.gz XDBPJSHWMVOKSH-SFTDATJTSA-N 2 2 368.525 1.579 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(C)C[C@H]1c1ccccc1 ZINC000730104961 916136503 /nfs/dbraw/zinc/13/65/03/916136503.db2.gz XDBPJSHWMVOKSH-SFTDATJTSA-N 2 2 368.525 1.579 20 30 FDEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998463 919388844 /nfs/dbraw/zinc/38/88/44/919388844.db2.gz NWQOTOSUACEPOR-AABGKKOBSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]21 ZINC001084998463 919388857 /nfs/dbraw/zinc/38/88/57/919388857.db2.gz NWQOTOSUACEPOR-AABGKKOBSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]21 ZINC001084998463 919388875 /nfs/dbraw/zinc/38/88/75/919388875.db2.gz NWQOTOSUACEPOR-AABGKKOBSA-N 2 2 361.530 1.986 20 30 FDEDLP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]21 ZINC001084998463 919388886 /nfs/dbraw/zinc/38/88/86/919388886.db2.gz NWQOTOSUACEPOR-AABGKKOBSA-N 2 2 361.530 1.986 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)noc1C ZINC001085229668 922982011 /nfs/dbraw/zinc/98/20/11/922982011.db2.gz DQKZVMKYPLOTQI-QRVBRYPASA-N 2 2 358.486 1.906 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)noc1C ZINC001085229668 922982016 /nfs/dbraw/zinc/98/20/16/922982016.db2.gz DQKZVMKYPLOTQI-QRVBRYPASA-N 2 2 358.486 1.906 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000804345603 929047818 /nfs/dbraw/zinc/04/78/18/929047818.db2.gz PKZUYMTVDBIJNH-NRFANRHFSA-N 2 2 368.525 1.360 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000804345603 929047830 /nfs/dbraw/zinc/04/78/30/929047830.db2.gz PKZUYMTVDBIJNH-NRFANRHFSA-N 2 2 368.525 1.360 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525683 929671107 /nfs/dbraw/zinc/67/11/07/929671107.db2.gz IXYOKZIZJJHOAI-SQNIBIBYSA-N 2 2 373.501 1.338 20 30 FDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525683 929671113 /nfs/dbraw/zinc/67/11/13/929671113.db2.gz IXYOKZIZJJHOAI-SQNIBIBYSA-N 2 2 373.501 1.338 20 30 FDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001112582868 931750853 /nfs/dbraw/zinc/75/08/53/931750853.db2.gz SFPBVFIYSRJXPD-ZVDOUQERSA-N 2 2 359.514 1.339 20 30 FDEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001113134037 933211702 /nfs/dbraw/zinc/21/17/02/933211702.db2.gz OOKITPAHCAHWAI-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001086588705 933624140 /nfs/dbraw/zinc/62/41/40/933624140.db2.gz KAOFFECOVLSMIW-VQTJNVASSA-N 2 2 362.477 1.979 20 30 FDEDLP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001086588705 933624143 /nfs/dbraw/zinc/62/41/43/933624143.db2.gz KAOFFECOVLSMIW-VQTJNVASSA-N 2 2 362.477 1.979 20 30 FDEDLP C#CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000805047840 938651520 /nfs/dbraw/zinc/65/15/20/938651520.db2.gz DDLKAGWLUBSFQG-RBUKOAKNSA-N 2 2 369.575 1.999 20 30 FDEDLP C#CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000805047840 938651521 /nfs/dbraw/zinc/65/15/21/938651521.db2.gz DDLKAGWLUBSFQG-RBUKOAKNSA-N 2 2 369.575 1.999 20 30 FDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038607 940467156 /nfs/dbraw/zinc/46/71/56/940467156.db2.gz ZHPRZAACHRVJGZ-IAGOWNOFSA-N 2 2 356.474 1.557 20 30 FDEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000812889071 941287392 /nfs/dbraw/zinc/28/73/92/941287392.db2.gz MOSUDDYSAQNJKE-HKUYNNGSSA-N 2 2 358.461 1.968 20 30 FDEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000812889071 941287395 /nfs/dbraw/zinc/28/73/95/941287395.db2.gz MOSUDDYSAQNJKE-HKUYNNGSSA-N 2 2 358.461 1.968 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C)s2)C1 ZINC001086720922 941620559 /nfs/dbraw/zinc/62/05/59/941620559.db2.gz VKTIMNSJLHUUOK-XHSDSOJGSA-N 2 2 361.515 1.319 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C)s2)C1 ZINC001086720922 941620560 /nfs/dbraw/zinc/62/05/60/941620560.db2.gz VKTIMNSJLHUUOK-XHSDSOJGSA-N 2 2 361.515 1.319 20 30 FDEDLP C#C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000823169191 945549855 /nfs/dbraw/zinc/54/98/55/945549855.db2.gz WULMWSLGFMLGEF-RBUKOAKNSA-N 2 2 362.518 1.225 20 30 FDEDLP C#C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000823169191 945549858 /nfs/dbraw/zinc/54/98/58/945549858.db2.gz WULMWSLGFMLGEF-RBUKOAKNSA-N 2 2 362.518 1.225 20 30 FDEDLP C#C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000847029385 951780549 /nfs/dbraw/zinc/78/05/49/951780549.db2.gz MYHACQHQQGFQNF-GOSISDBHSA-N 2 2 355.482 1.480 20 30 FDEDLP C#C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000847029385 951780550 /nfs/dbraw/zinc/78/05/50/951780550.db2.gz MYHACQHQQGFQNF-GOSISDBHSA-N 2 2 355.482 1.480 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@@]2(C)C1 ZINC001091749552 952788919 /nfs/dbraw/zinc/78/89/19/952788919.db2.gz NCEVDQWRHAOFHS-LMNJBCLMSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnc(C)cn3)C[C@@]2(C)C1 ZINC001091749552 952788921 /nfs/dbraw/zinc/78/89/21/952788921.db2.gz NCEVDQWRHAOFHS-LMNJBCLMSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnc(C)cn3)C[C@@]2(C)C1 ZINC001091749552 952788923 /nfs/dbraw/zinc/78/89/23/952788923.db2.gz NCEVDQWRHAOFHS-LMNJBCLMSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnc(C)cn3)C[C@@]2(C)C1 ZINC001091749552 952788924 /nfs/dbraw/zinc/78/89/24/952788924.db2.gz NCEVDQWRHAOFHS-LMNJBCLMSA-N 2 2 367.497 1.163 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@@]2(C)C1 ZINC001091748503 952794732 /nfs/dbraw/zinc/79/47/32/952794732.db2.gz PGOJOCOMKYDSBZ-LMNJBCLMSA-N 2 2 369.513 1.106 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)n(C)n3)C[C@@]2(C)C1 ZINC001091748503 952794733 /nfs/dbraw/zinc/79/47/33/952794733.db2.gz PGOJOCOMKYDSBZ-LMNJBCLMSA-N 2 2 369.513 1.106 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cc(C)n(C)n3)C[C@@]2(C)C1 ZINC001091748503 952794736 /nfs/dbraw/zinc/79/47/36/952794736.db2.gz PGOJOCOMKYDSBZ-LMNJBCLMSA-N 2 2 369.513 1.106 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cc(C)n(C)n3)C[C@@]2(C)C1 ZINC001091748503 952794740 /nfs/dbraw/zinc/79/47/40/952794740.db2.gz PGOJOCOMKYDSBZ-LMNJBCLMSA-N 2 2 369.513 1.106 20 30 FDEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001196920116 971971388 /nfs/dbraw/zinc/97/13/88/971971388.db2.gz RRVGQWNLNKSHPH-RTBURBONSA-N 2 2 367.453 1.205 20 30 FDEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001196920116 971971389 /nfs/dbraw/zinc/97/13/89/971971389.db2.gz RRVGQWNLNKSHPH-RTBURBONSA-N 2 2 367.453 1.205 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001092688850 956193182 /nfs/dbraw/zinc/19/31/82/956193182.db2.gz CVBOJUMOKXVIIW-HLIPFELVSA-N 2 2 369.513 1.111 20 30 FDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001092688850 956193193 /nfs/dbraw/zinc/19/31/93/956193193.db2.gz CVBOJUMOKXVIIW-HLIPFELVSA-N 2 2 369.513 1.111 20 30 FDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001092688850 956193205 /nfs/dbraw/zinc/19/32/05/956193205.db2.gz CVBOJUMOKXVIIW-HLIPFELVSA-N 2 2 369.513 1.111 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001092688850 956193217 /nfs/dbraw/zinc/19/32/17/956193217.db2.gz CVBOJUMOKXVIIW-HLIPFELVSA-N 2 2 369.513 1.111 20 30 FDEDLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197527693 972276046 /nfs/dbraw/zinc/27/60/46/972276046.db2.gz CVEDEHWSYKCFEZ-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197527693 972276053 /nfs/dbraw/zinc/27/60/53/972276053.db2.gz CVEDEHWSYKCFEZ-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197527693 972276057 /nfs/dbraw/zinc/27/60/57/972276057.db2.gz CVEDEHWSYKCFEZ-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197527693 972276063 /nfs/dbraw/zinc/27/60/63/972276063.db2.gz CVEDEHWSYKCFEZ-QZTJIDSGSA-N 2 2 363.889 1.195 20 30 FDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001197739334 972403324 /nfs/dbraw/zinc/40/33/24/972403324.db2.gz OGLLQQXDVJQMOD-IBGZPJMESA-N 2 2 359.470 1.531 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158866 960684977 /nfs/dbraw/zinc/68/49/77/960684977.db2.gz WVSDFNPTZUPKPG-FUMNGEBKSA-N 2 2 361.530 1.868 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158866 960684981 /nfs/dbraw/zinc/68/49/81/960684981.db2.gz WVSDFNPTZUPKPG-FUMNGEBKSA-N 2 2 361.530 1.868 20 30 FDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001182653948 962408503 /nfs/dbraw/zinc/40/85/03/962408503.db2.gz BSAAMXATHGVHJF-KZNAEPCWSA-N 2 2 358.486 1.547 20 30 FDEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001095266010 962724743 /nfs/dbraw/zinc/72/47/43/962724743.db2.gz ZJIAEEMIRSKZOO-XWSJACJDSA-N 2 2 354.454 1.110 20 30 FDEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001095266010 962724754 /nfs/dbraw/zinc/72/47/54/962724754.db2.gz ZJIAEEMIRSKZOO-XWSJACJDSA-N 2 2 354.454 1.110 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1 ZINC001095266010 962724768 /nfs/dbraw/zinc/72/47/68/962724768.db2.gz ZJIAEEMIRSKZOO-XWSJACJDSA-N 2 2 354.454 1.110 20 30 FDEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)C1 ZINC001095266010 962724777 /nfs/dbraw/zinc/72/47/77/962724777.db2.gz ZJIAEEMIRSKZOO-XWSJACJDSA-N 2 2 354.454 1.110 20 30 FDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181797 966808556 /nfs/dbraw/zinc/80/85/56/966808556.db2.gz JJSGOQSUZBVYNZ-YESZJQIVSA-N 2 2 355.910 1.773 20 30 FDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181797 966808563 /nfs/dbraw/zinc/80/85/63/966808563.db2.gz JJSGOQSUZBVYNZ-YESZJQIVSA-N 2 2 355.910 1.773 20 30 FDEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197948034 972584394 /nfs/dbraw/zinc/58/43/94/972584394.db2.gz DEKPEZDVGQTWDO-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197948034 972584409 /nfs/dbraw/zinc/58/44/09/972584409.db2.gz DEKPEZDVGQTWDO-QZTJIDSGSA-N 2 2 362.449 1.091 20 30 FDEDLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc1 ZINC000867997957 977181110 /nfs/dbraw/zinc/18/11/10/977181110.db2.gz MYPKDYWBWBOFLY-MOPGFXCFSA-N 2 2 358.486 1.723 20 30 FDEDLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc1 ZINC000867997957 977181118 /nfs/dbraw/zinc/18/11/18/977181118.db2.gz MYPKDYWBWBOFLY-MOPGFXCFSA-N 2 2 358.486 1.723 20 30 FDEDLP C[NH+]1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)([NH+]2CCCCC2)CC1 ZINC000884235662 983013352 /nfs/dbraw/zinc/01/33/52/983013352.db2.gz AZHKQWVKZYZLDI-QPIRBTGLSA-N 3 2 373.545 1.192 20 30 FDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425946 986202051 /nfs/dbraw/zinc/20/20/51/986202051.db2.gz BBZUAGKTAODLEE-GOSISDBHSA-N 2 2 365.518 1.776 20 30 FDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425946 986202066 /nfs/dbraw/zinc/20/20/66/986202066.db2.gz BBZUAGKTAODLEE-GOSISDBHSA-N 2 2 365.518 1.776 20 30 FDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425946 986202077 /nfs/dbraw/zinc/20/20/77/986202077.db2.gz BBZUAGKTAODLEE-GOSISDBHSA-N 2 2 365.518 1.776 20 30 FDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425946 986202094 /nfs/dbraw/zinc/20/20/94/986202094.db2.gz BBZUAGKTAODLEE-GOSISDBHSA-N 2 2 365.518 1.776 20 30 FDEDLP C#CCOc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000297494130 989550091 /nfs/dbraw/zinc/55/00/91/989550091.db2.gz MCGZSRDZQBXOCA-UHFFFAOYSA-N 2 2 372.513 1.866 20 30 FDEDLP C#CCOc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000297494130 989550099 /nfs/dbraw/zinc/55/00/99/989550099.db2.gz MCGZSRDZQBXOCA-UHFFFAOYSA-N 2 2 372.513 1.866 20 30 FDEDLP CCN1CC[NH+](CCCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782518 992910369 /nfs/dbraw/zinc/91/03/69/992910369.db2.gz WNWJVAXXNPSYEH-HXUWFJFHSA-N 2 2 369.513 1.279 20 30 FDEDLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876782518 992910371 /nfs/dbraw/zinc/91/03/71/992910371.db2.gz WNWJVAXXNPSYEH-HXUWFJFHSA-N 2 2 369.513 1.279 20 30 FDEDLP C#CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000887125696 996955379 /nfs/dbraw/zinc/95/53/79/996955379.db2.gz GANODWVHOAEXOR-UHFFFAOYSA-N 2 2 355.482 1.493 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000264397837 997494939 /nfs/dbraw/zinc/49/49/39/997494939.db2.gz LOABVXDNCKRABQ-MOPGFXCFSA-N 2 2 365.566 1.620 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC000826605325 998151844 /nfs/dbraw/zinc/15/18/44/998151844.db2.gz PMHQHQYWFCFDGL-NRFANRHFSA-N 2 2 369.509 1.657 20 30 FDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC000826605325 998151856 /nfs/dbraw/zinc/15/18/56/998151856.db2.gz PMHQHQYWFCFDGL-NRFANRHFSA-N 2 2 369.509 1.657 20 30 FDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000889370638 998308403 /nfs/dbraw/zinc/30/84/03/998308403.db2.gz ZWXVCSLNVFQDEI-RCCFBDPRSA-N 2 2 360.502 1.027 20 30 FDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000889370638 998308410 /nfs/dbraw/zinc/30/84/10/998308410.db2.gz ZWXVCSLNVFQDEI-RCCFBDPRSA-N 2 2 360.502 1.027 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000890372166 998918249 /nfs/dbraw/zinc/91/82/49/998918249.db2.gz GLPKSLKRGUVRCR-UHFFFAOYSA-N 2 2 371.485 1.374 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000890372166 998918251 /nfs/dbraw/zinc/91/82/51/998918251.db2.gz GLPKSLKRGUVRCR-UHFFFAOYSA-N 2 2 371.485 1.374 20 30 FDEDLP C#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000928658108 1001613172 /nfs/dbraw/zinc/61/31/72/1001613172.db2.gz LLYWTESILHXOSF-FQEVSTJZSA-N 2 2 354.498 1.189 20 30 FDEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000948639535 1002529179 /nfs/dbraw/zinc/52/91/79/1002529179.db2.gz XSIMMKJXRZWPIC-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000948639535 1002529188 /nfs/dbraw/zinc/52/91/88/1002529188.db2.gz XSIMMKJXRZWPIC-QRVBRYPASA-N 2 2 365.518 1.365 20 30 FDEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111021810 1004705287 /nfs/dbraw/zinc/70/52/87/1004705287.db2.gz FGIVOXWWPFYBGN-RWQQGDIJSA-N 2 2 356.470 1.125 20 30 FDEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111021810 1004705293 /nfs/dbraw/zinc/70/52/93/1004705293.db2.gz FGIVOXWWPFYBGN-RWQQGDIJSA-N 2 2 356.470 1.125 20 30 FDEDLP Cc1ccc([C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)[NH+]2CCCC2)cc1 ZINC000303906408 1009688116 /nfs/dbraw/zinc/68/81/16/1009688116.db2.gz ZYIBGFKRDNDTPH-FQEVSTJZSA-N 3 2 373.545 1.759 20 30 FDEDLP CC[N@H+](CC(=O)NCC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532204 540259809 /nfs/dbraw/zinc/25/98/09/540259809.db2.gz PLVSQSCYNBEZTN-UHFFFAOYSA-N 2 2 358.490 1.839 20 30 FDEDLP CC[N@@H+](CC(=O)NCC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532204 540259811 /nfs/dbraw/zinc/25/98/11/540259811.db2.gz PLVSQSCYNBEZTN-UHFFFAOYSA-N 2 2 358.490 1.839 20 30 FDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000536354124 540583528 /nfs/dbraw/zinc/58/35/28/540583528.db2.gz KSRGMTASSHSWEB-SFHVURJKSA-N 2 2 356.470 1.711 20 30 FDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C(C)C ZINC000551217319 543253510 /nfs/dbraw/zinc/25/35/10/543253510.db2.gz LQGQTUIHEZQCBM-SFHVURJKSA-N 2 2 362.518 1.108 20 30 FDEDLP C[C@H]1C[NH+]=C(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)S1 ZINC000177211050 174114598 /nfs/dbraw/zinc/11/45/98/174114598.db2.gz RMRDXTWLGVNKAY-AWEZNQCLSA-N 2 2 357.483 1.996 20 30 FDEDLP C[N@@H+]1CCN(C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000374769990 261192171 /nfs/dbraw/zinc/19/21/71/261192171.db2.gz YSMXWAXKTFNPQV-UHFFFAOYSA-N 2 2 356.470 1.566 20 30 FDEDLP C[N@H+]1CCN(C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000374769990 261192172 /nfs/dbraw/zinc/19/21/72/261192172.db2.gz YSMXWAXKTFNPQV-UHFFFAOYSA-N 2 2 356.470 1.566 20 30 FDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCc3cccc(C#N)c3)CC2)CC1 ZINC000375645464 261389640 /nfs/dbraw/zinc/38/96/40/261389640.db2.gz SPANWXXPFBFISI-UHFFFAOYSA-N 2 2 369.513 1.959 20 30 FDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000042897377 521797706 /nfs/dbraw/zinc/79/77/06/521797706.db2.gz QOHDSBZYLVGTKQ-UHFFFAOYSA-N 2 2 354.458 1.918 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158532413 524485279 /nfs/dbraw/zinc/48/52/79/524485279.db2.gz NOSFGZRLWVNVOW-MAUKXSAKSA-N 3 2 369.517 1.969 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158532413 524485290 /nfs/dbraw/zinc/48/52/90/524485290.db2.gz NOSFGZRLWVNVOW-MAUKXSAKSA-N 3 2 369.517 1.969 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158532560 524486042 /nfs/dbraw/zinc/48/60/42/524486042.db2.gz NOSFGZRLWVNVOW-YJBOKZPZSA-N 3 2 369.517 1.969 20 30 FDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158532560 524486048 /nfs/dbraw/zinc/48/60/48/524486048.db2.gz NOSFGZRLWVNVOW-YJBOKZPZSA-N 3 2 369.517 1.969 20 30 FDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174715725 524703121 /nfs/dbraw/zinc/70/31/21/524703121.db2.gz OUBXPMKHHGIXFD-UHFFFAOYSA-N 2 2 363.893 1.719 20 30 FDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174715725 524703129 /nfs/dbraw/zinc/70/31/29/524703129.db2.gz OUBXPMKHHGIXFD-UHFFFAOYSA-N 2 2 363.893 1.719 20 30 FDEDLP CC[NH+](CC)CC(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000093045533 524948215 /nfs/dbraw/zinc/94/82/15/524948215.db2.gz SLEURYXRFFLAJT-UHFFFAOYSA-N 2 2 354.458 1.192 20 30 FDEDLP NC(=[NH+]OCC(=O)N1CCOCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000101540835 525227126 /nfs/dbraw/zinc/22/71/26/525227126.db2.gz IFHWDKNOTUFGSG-UHFFFAOYSA-N 2 2 360.458 1.168 20 30 FDEDLP CC(C)(C)NC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000104054391 525388515 /nfs/dbraw/zinc/38/85/15/525388515.db2.gz FTBMAWYGFGCXDW-UHFFFAOYSA-N 2 2 362.474 1.195 20 30 FDEDLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000164054146 525474701 /nfs/dbraw/zinc/47/47/01/525474701.db2.gz NDVKEMRPLOKXOC-GOSISDBHSA-N 2 2 352.438 1.824 20 30 FDEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109673905 526161106 /nfs/dbraw/zinc/16/11/06/526161106.db2.gz TYRKRRCMTXGVJG-GOSISDBHSA-N 2 2 357.502 1.218 20 30 FDEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109673905 526161122 /nfs/dbraw/zinc/16/11/22/526161122.db2.gz TYRKRRCMTXGVJG-GOSISDBHSA-N 2 2 357.502 1.218 20 30 FDEDLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246426854 536951631 /nfs/dbraw/zinc/95/16/31/536951631.db2.gz CXLQSRSKHUNEMB-ZTFGCOKTSA-N 2 2 363.421 1.970 20 30 FDEDLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246426854 536951635 /nfs/dbraw/zinc/95/16/35/536951635.db2.gz CXLQSRSKHUNEMB-ZTFGCOKTSA-N 2 2 363.421 1.970 20 30 FDEDLP C[NH+]=C(NC[C@@H]1CCCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263255652 537002248 /nfs/dbraw/zinc/00/22/48/537002248.db2.gz QNQQYCANFQWSBX-KRWDZBQOSA-N 2 2 352.523 1.756 20 30 FDEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)N1CCN(C(C)=O)CC1 ZINC000263253830 537002441 /nfs/dbraw/zinc/00/24/41/537002441.db2.gz PVBAFKPPDYVCHQ-CQSZACIVSA-N 2 2 363.531 1.234 20 30 FDEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)N1CCN(C(C)=O)CC1 ZINC000263253830 537002444 /nfs/dbraw/zinc/00/24/44/537002444.db2.gz PVBAFKPPDYVCHQ-CQSZACIVSA-N 2 2 363.531 1.234 20 30 FDEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534062 537237777 /nfs/dbraw/zinc/23/77/77/537237777.db2.gz BXLORIBWXGGFND-RTWAWAEBSA-N 2 2 370.497 1.364 20 30 FDEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534062 537237778 /nfs/dbraw/zinc/23/77/78/537237778.db2.gz BXLORIBWXGGFND-RTWAWAEBSA-N 2 2 370.497 1.364 20 30 FDEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249534062 537237779 /nfs/dbraw/zinc/23/77/79/537237779.db2.gz BXLORIBWXGGFND-RTWAWAEBSA-N 2 2 370.497 1.364 20 30 FDEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249534062 537237780 /nfs/dbraw/zinc/23/77/80/537237780.db2.gz BXLORIBWXGGFND-RTWAWAEBSA-N 2 2 370.497 1.364 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249553837 537238436 /nfs/dbraw/zinc/23/84/36/537238436.db2.gz IZRFXFUOGKMNEI-XLIONFOSSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249553837 537238437 /nfs/dbraw/zinc/23/84/37/537238437.db2.gz IZRFXFUOGKMNEI-XLIONFOSSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249553837 537238439 /nfs/dbraw/zinc/23/84/39/537238439.db2.gz IZRFXFUOGKMNEI-XLIONFOSSA-N 2 2 358.486 1.316 20 30 FDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249553837 537238440 /nfs/dbraw/zinc/23/84/40/537238440.db2.gz IZRFXFUOGKMNEI-XLIONFOSSA-N 2 2 358.486 1.316 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000376092527 537833700 /nfs/dbraw/zinc/83/37/00/537833700.db2.gz FSQHKFCPNNJSQJ-MOPGFXCFSA-N 2 2 365.481 1.525 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000376092527 537833709 /nfs/dbraw/zinc/83/37/09/537833709.db2.gz FSQHKFCPNNJSQJ-MOPGFXCFSA-N 2 2 365.481 1.525 20 30 FDEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372533387 537970508 /nfs/dbraw/zinc/97/05/08/537970508.db2.gz RRVWNPDEWPDRSG-ZIFCJYIRSA-N 2 2 374.533 1.885 20 30 FDEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372533387 537970517 /nfs/dbraw/zinc/97/05/17/537970517.db2.gz RRVWNPDEWPDRSG-ZIFCJYIRSA-N 2 2 374.533 1.885 20 30 FDEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372533387 537970523 /nfs/dbraw/zinc/97/05/23/537970523.db2.gz RRVWNPDEWPDRSG-ZIFCJYIRSA-N 2 2 374.533 1.885 20 30 FDEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000372533387 537970530 /nfs/dbraw/zinc/97/05/30/537970530.db2.gz RRVWNPDEWPDRSG-ZIFCJYIRSA-N 2 2 374.533 1.885 20 30 FDEDLP C=CCN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368924474 537993449 /nfs/dbraw/zinc/99/34/49/537993449.db2.gz LWWPZZXIRPAUSZ-HXUWFJFHSA-N 2 2 372.513 1.791 20 30 FDEDLP C=CCN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368924474 537993458 /nfs/dbraw/zinc/99/34/58/537993458.db2.gz LWWPZZXIRPAUSZ-HXUWFJFHSA-N 2 2 372.513 1.791 20 30 FDEDLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1 ZINC000424133193 538243687 /nfs/dbraw/zinc/24/36/87/538243687.db2.gz JFQRMUMUYKEFKG-KRWDZBQOSA-N 2 2 360.458 1.369 20 30 FDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000568753336 548666173 /nfs/dbraw/zinc/66/61/73/548666173.db2.gz OLDIYMBUMBVTJW-QAPCUYQASA-N 2 2 357.458 1.924 20 30 FDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000568753336 548666174 /nfs/dbraw/zinc/66/61/74/548666174.db2.gz OLDIYMBUMBVTJW-QAPCUYQASA-N 2 2 357.458 1.924 20 30 FDEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000570786053 549409656 /nfs/dbraw/zinc/40/96/56/549409656.db2.gz WSUOQPDSBYITPH-APWZRJJASA-N 2 2 355.486 1.774 20 30 FDEDLP C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000579809574 550911902 /nfs/dbraw/zinc/91/19/02/550911902.db2.gz OOBCQGXTCKJGLA-SFHVURJKSA-N 2 2 371.485 1.607 20 30 FDEDLP C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000579809574 550911903 /nfs/dbraw/zinc/91/19/03/550911903.db2.gz OOBCQGXTCKJGLA-SFHVURJKSA-N 2 2 371.485 1.607 20 30 FDEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000579854494 550917769 /nfs/dbraw/zinc/91/77/69/550917769.db2.gz AXJISDQQWBSKRK-GOSISDBHSA-N 2 2 356.470 1.548 20 30 FDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930617 551033700 /nfs/dbraw/zinc/03/37/00/551033700.db2.gz QSKDFFNUTXVANL-VQIMIIECSA-N 2 2 359.470 1.483 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585716893 551586697 /nfs/dbraw/zinc/58/66/97/551586697.db2.gz AWOPFJHWNSACRB-RBUKOAKNSA-N 2 2 359.470 1.485 20 30 FDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585716893 551586699 /nfs/dbraw/zinc/58/66/99/551586699.db2.gz AWOPFJHWNSACRB-RBUKOAKNSA-N 2 2 359.470 1.485 20 30 FDEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000585727561 551588307 /nfs/dbraw/zinc/58/83/07/551588307.db2.gz WDWOBCOGRPGANB-DLBZAZTESA-N 2 2 372.517 1.363 20 30 FDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000590600455 551797074 /nfs/dbraw/zinc/79/70/74/551797074.db2.gz PDKGVTAFGLWXDQ-LJQANCHMSA-N 2 2 356.470 1.361 20 30 FDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000590600455 551797076 /nfs/dbraw/zinc/79/70/76/551797076.db2.gz PDKGVTAFGLWXDQ-LJQANCHMSA-N 2 2 356.470 1.361 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)CC1 ZINC000591062159 551840835 /nfs/dbraw/zinc/84/08/35/551840835.db2.gz MQHYDFMVGFWOQM-YZGWKJHDSA-N 2 2 352.482 1.946 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)CC1 ZINC000591062159 551840837 /nfs/dbraw/zinc/84/08/37/551840837.db2.gz MQHYDFMVGFWOQM-YZGWKJHDSA-N 2 2 352.482 1.946 20 30 FDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3Cc4cccc(C#N)c4C3)C2)CC1 ZINC000593351013 552094214 /nfs/dbraw/zinc/09/42/14/552094214.db2.gz ZMPRHLKPGDYVFD-QGZVFWFLSA-N 2 2 353.470 1.752 20 30 FDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3Cc4cccc(C#N)c4C3)C2)CC1 ZINC000593351013 552094217 /nfs/dbraw/zinc/09/42/17/552094217.db2.gz ZMPRHLKPGDYVFD-QGZVFWFLSA-N 2 2 353.470 1.752 20 30 FDEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2=O)cc1 ZINC000594503780 552326744 /nfs/dbraw/zinc/32/67/44/552326744.db2.gz BIRAQLIVNZFRQM-VQTJNVASSA-N 2 2 368.481 1.897 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000594820319 552397847 /nfs/dbraw/zinc/39/78/47/552397847.db2.gz AZBNMNAIUBOUGZ-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000594820319 552397848 /nfs/dbraw/zinc/39/78/48/552397848.db2.gz AZBNMNAIUBOUGZ-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594822249 552398706 /nfs/dbraw/zinc/39/87/06/552398706.db2.gz TWIPGIWECCQXNX-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594822249 552398707 /nfs/dbraw/zinc/39/87/07/552398707.db2.gz TWIPGIWECCQXNX-UHFFFAOYSA-N 2 2 358.895 1.373 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000595505441 552574392 /nfs/dbraw/zinc/57/43/92/552574392.db2.gz UGQZAICUWLTGEL-UYAOXDASSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000595505441 552574393 /nfs/dbraw/zinc/57/43/93/552574393.db2.gz UGQZAICUWLTGEL-UYAOXDASSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000595505441 552574394 /nfs/dbraw/zinc/57/43/94/552574394.db2.gz UGQZAICUWLTGEL-UYAOXDASSA-N 2 2 361.534 1.096 20 30 FDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000595505441 552574395 /nfs/dbraw/zinc/57/43/95/552574395.db2.gz UGQZAICUWLTGEL-UYAOXDASSA-N 2 2 361.534 1.096 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000602653982 553618706 /nfs/dbraw/zinc/61/87/06/553618706.db2.gz KGHRCULUIWHLIZ-CSNJMZFVSA-N 2 2 362.518 1.759 20 30 FDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000602653982 553618707 /nfs/dbraw/zinc/61/87/07/553618707.db2.gz KGHRCULUIWHLIZ-CSNJMZFVSA-N 2 2 362.518 1.759 20 30 FDEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381581 555298968 /nfs/dbraw/zinc/29/89/68/555298968.db2.gz VCMFLPKPXUNSIB-IBGZPJMESA-N 2 2 364.534 1.476 20 30 FDEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381581 555298969 /nfs/dbraw/zinc/29/89/69/555298969.db2.gz VCMFLPKPXUNSIB-IBGZPJMESA-N 2 2 364.534 1.476 20 30 FDEDLP COc1ccc([C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[NH+](C)C)cc1OC ZINC000195522059 672408279 /nfs/dbraw/zinc/40/82/79/672408279.db2.gz SSBAWFHRLPQBPZ-LSDHHAIUSA-N 2 2 350.463 1.390 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000262811288 672851237 /nfs/dbraw/zinc/85/12/37/672851237.db2.gz RCHKVHBBTRNORD-XHSDSOJGSA-N 3 2 351.539 1.276 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000262811288 672851242 /nfs/dbraw/zinc/85/12/42/672851242.db2.gz RCHKVHBBTRNORD-XHSDSOJGSA-N 3 2 351.539 1.276 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262811288 672851246 /nfs/dbraw/zinc/85/12/46/672851246.db2.gz RCHKVHBBTRNORD-XHSDSOJGSA-N 3 2 351.539 1.276 20 30 FDEDLP C[NH+]=C(NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262811288 672851250 /nfs/dbraw/zinc/85/12/50/672851250.db2.gz RCHKVHBBTRNORD-XHSDSOJGSA-N 3 2 351.539 1.276 20 30 FDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000328945074 676613277 /nfs/dbraw/zinc/61/32/77/676613277.db2.gz LYRDXLWKBCNUNE-IIAWOOMASA-N 2 2 351.495 1.366 20 30 FDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000328945074 676613278 /nfs/dbraw/zinc/61/32/78/676613278.db2.gz LYRDXLWKBCNUNE-IIAWOOMASA-N 2 2 351.495 1.366 20 30 FDEDLP