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]([NH2+]CCCCC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000444674379 1017625849 /nfs/dbraw/zinc/62/58/49/1017625849.db2.gz PBZOBQYMTQEOAO-DLBZAZTESA-N 1 3 305.510 3.949 20 30 DHEDHO C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)N(C)Cc1ccccc1 ZINC000176981008 1021189687 /nfs/dbraw/zinc/18/96/87/1021189687.db2.gz DOJJKIMNRWMOLA-HNNXBMFYSA-N 1 3 313.470 3.620 20 30 DHEDHO C[C@H](Cc1ccc(C#N)cc1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001172296160 1033101755 /nfs/dbraw/zinc/10/17/55/1033101755.db2.gz XQWPYHYGGVNMHR-DYESRHJHSA-N 1 3 321.468 3.772 20 30 DHEDHO C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001172480657 1033192169 /nfs/dbraw/zinc/19/21/69/1033192169.db2.gz WNFWSRSCVIWHDY-BTHPGYMESA-N 1 3 311.473 3.569 20 30 DHEDHO C#Cc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000809603181 1026572538 /nfs/dbraw/zinc/57/25/38/1026572538.db2.gz LAJQKFIQJDPGPB-UHFFFAOYSA-N 1 3 304.437 3.554 20 30 DHEDHO CC1CCC([NH+]2CCC(N[C@@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000373187409 1028969708 /nfs/dbraw/zinc/96/97/08/1028969708.db2.gz MHNGQOZKHZTDLM-DPCKTDSQSA-N 1 3 303.494 3.701 20 30 DHEDHO N#CC1(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000411397537 1029121083 /nfs/dbraw/zinc/12/10/83/1029121083.db2.gz HUSBFWYJLAVMQO-IEBWSBKVSA-N 1 3 315.505 3.799 20 30 DHEDHO N#CC1(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000411397537 1029121092 /nfs/dbraw/zinc/12/10/92/1029121092.db2.gz HUSBFWYJLAVMQO-IEBWSBKVSA-N 1 3 315.505 3.799 20 30 DHEDHO N#CCC1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374018901 1029187530 /nfs/dbraw/zinc/18/75/30/1029187530.db2.gz QAMFEMIYOPYMCB-HSALFYBXSA-N 1 3 323.484 3.571 20 30 DHEDHO N#CCC1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374018901 1029187541 /nfs/dbraw/zinc/18/75/41/1029187541.db2.gz QAMFEMIYOPYMCB-HSALFYBXSA-N 1 3 323.484 3.571 20 30 DHEDHO CCN(CC)c1ccc(/C=[NH+]\C2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000817708425 1029230335 /nfs/dbraw/zinc/23/03/35/1029230335.db2.gz XLMVJZRUSCFLHW-ZHZULCJRSA-N 1 3 317.477 3.530 20 30 DHEDHO C[C@H]([NH3+])c1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cc1 ZINC001171181713 1031577059 /nfs/dbraw/zinc/57/70/59/1031577059.db2.gz ALUWJZDXUJYZFX-LBPRGKRZSA-N 1 3 305.381 3.602 20 30 DHEDHO C=CCOC1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001173316338 1033710014 /nfs/dbraw/zinc/71/00/14/1033710014.db2.gz GWPZQQJFYMUQMX-UHFFFAOYSA-N 1 3 320.521 3.744 20 30 DHEDHO C#C[C@H]1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC001183651641 1036642152 /nfs/dbraw/zinc/64/21/52/1036642152.db2.gz HPNSAJWWJNVWBV-CGBFIWBNSA-N 1 3 302.506 3.811 20 30 DHEDHO N#CC[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000595622491 1040195665 /nfs/dbraw/zinc/19/56/65/1040195665.db2.gz BJCABFMZFTXZNR-SFHVURJKSA-N 1 3 311.473 3.798 20 30 DHEDHO C=CCSCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000192977121 335043146 /nfs/dbraw/zinc/04/31/46/335043146.db2.gz CRJVZNBXBSTZNM-YQQQUEKLSA-N 1 3 316.514 3.691 20 30 DHEDHO C=CCSCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000192977121 335043147 /nfs/dbraw/zinc/04/31/47/335043147.db2.gz CRJVZNBXBSTZNM-YQQQUEKLSA-N 1 3 316.514 3.691 20 30 DHEDHO C=CCOc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415063938 334262316 /nfs/dbraw/zinc/26/23/16/334262316.db2.gz JGQHLNBCDBFJHH-FQEVSTJZSA-N 1 3 310.441 3.821 20 30 DHEDHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000193929333 337080613 /nfs/dbraw/zinc/08/06/13/337080613.db2.gz SLTVNXDZJQTZPZ-HNNXBMFYSA-N 1 3 315.461 3.502 20 30 DHEDHO CC1CC[NH+](C[C@H]2CCCN(CC(C)(C)CCC#N)C2)CC1 ZINC000092587882 1032504102 /nfs/dbraw/zinc/50/41/02/1032504102.db2.gz MVPGMPBMKWDVST-GOSISDBHSA-N 1 3 305.510 3.760 20 30 DHEDHO Cc1cc(C#N)cc(C)c1CNCc1cccc(C[NH+](C)C)c1 ZINC000921514479 1018811306 /nfs/dbraw/zinc/81/13/06/1018811306.db2.gz RRBYOVJURKMIQA-UHFFFAOYSA-N 1 3 307.441 3.527 20 30 DHEDHO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076109780 1019087208 /nfs/dbraw/zinc/08/72/08/1019087208.db2.gz ZVRVGYOTQRWKDI-OAQYLSRUSA-N 1 3 319.452 3.512 20 30 DHEDHO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076109780 1019087228 /nfs/dbraw/zinc/08/72/28/1019087228.db2.gz ZVRVGYOTQRWKDI-OAQYLSRUSA-N 1 3 319.452 3.512 20 30 DHEDHO C#CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000781424822 1021367168 /nfs/dbraw/zinc/36/71/68/1021367168.db2.gz ZBGLORPSDIVFRH-QHAWAJNXSA-N 1 3 310.485 3.680 20 30 DHEDHO N#CCC1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453210403 1024402755 /nfs/dbraw/zinc/40/27/55/1024402755.db2.gz JLUTZBVWNCRFRX-ZCNNSNEGSA-N 1 3 323.484 3.713 20 30 DHEDHO N#CCC1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453210403 1024402760 /nfs/dbraw/zinc/40/27/60/1024402760.db2.gz JLUTZBVWNCRFRX-ZCNNSNEGSA-N 1 3 323.484 3.713 20 30 DHEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC000353261940 1025003716 /nfs/dbraw/zinc/00/37/16/1025003716.db2.gz DDGXJONWOBPNBT-FQEVSTJZSA-N 1 3 309.457 3.542 20 30 DHEDHO C#Cc1ccc(CNCc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000809606969 1026562084 /nfs/dbraw/zinc/56/20/84/1026562084.db2.gz LAJOQTRIGSCWIC-UHFFFAOYSA-N 1 3 306.453 3.800 20 30 DHEDHO C#Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000809624080 1026574665 /nfs/dbraw/zinc/57/46/65/1026574665.db2.gz GEWQIDCPKSKEDS-PGRDOPGGSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000809624080 1026574673 /nfs/dbraw/zinc/57/46/73/1026574673.db2.gz GEWQIDCPKSKEDS-PGRDOPGGSA-N 1 3 318.464 3.668 20 30 DHEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000813878176 1027747444 /nfs/dbraw/zinc/74/74/44/1027747444.db2.gz LEOHQYGGINFWQI-DZGCQCFKSA-N 1 3 310.869 3.666 20 30 DHEDHO CC(C)CCN1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000926318486 1030696057 /nfs/dbraw/zinc/69/60/57/1030696057.db2.gz ZBEQZYXPUDOWJF-HXUWFJFHSA-N 1 3 311.473 3.646 20 30 DHEDHO C#CCOc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926529979 1030782077 /nfs/dbraw/zinc/78/20/77/1030782077.db2.gz IOEIESYJBFMHFE-QGZVFWFLSA-N 1 3 322.452 3.611 20 30 DHEDHO C[C@H](Cc1cccc(C#N)c1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001171179919 1031562755 /nfs/dbraw/zinc/56/27/55/1031562755.db2.gz YWVOJKLZUIXBNX-UTKZUKDTSA-N 1 3 321.468 3.772 20 30 DHEDHO C=CCOC1CCC([N@@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001173317234 1033710774 /nfs/dbraw/zinc/71/07/74/1033710774.db2.gz SYCDZGJHTXMJRU-KKXNLOMOSA-N 1 3 316.489 3.597 20 30 DHEDHO C=CCOC1CCC([N@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001173317234 1033710789 /nfs/dbraw/zinc/71/07/89/1033710789.db2.gz SYCDZGJHTXMJRU-KKXNLOMOSA-N 1 3 316.489 3.597 20 30 DHEDHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540314750 1036036410 /nfs/dbraw/zinc/03/64/10/1036036410.db2.gz WSFMMBJNWKWTJN-IIBYNOLFSA-N 1 3 319.452 3.655 20 30 DHEDHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540314750 1036036425 /nfs/dbraw/zinc/03/64/25/1036036425.db2.gz WSFMMBJNWKWTJN-IIBYNOLFSA-N 1 3 319.452 3.655 20 30 DHEDHO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272236929 1036530466 /nfs/dbraw/zinc/53/04/66/1036530466.db2.gz VRRAOXBYALIKFR-LAUBAEHRSA-N 1 3 319.452 3.558 20 30 DHEDHO CCCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001201762866 1037884465 /nfs/dbraw/zinc/88/44/65/1037884465.db2.gz YBHJJLZSXRMSEV-PMACEKPBSA-N 1 3 322.537 3.637 20 30 DHEDHO CCCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001201762866 1037884478 /nfs/dbraw/zinc/88/44/78/1037884478.db2.gz YBHJJLZSXRMSEV-PMACEKPBSA-N 1 3 322.537 3.637 20 30 DHEDHO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(CCCC)CC2)cc1 ZINC000164463525 1038191658 /nfs/dbraw/zinc/19/16/58/1038191658.db2.gz FGCYUIBHPLMUGY-KRWDZBQOSA-N 1 3 314.473 3.614 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594497834 1039801754 /nfs/dbraw/zinc/80/17/54/1039801754.db2.gz HYAJRFODZIRSDI-UHFFFAOYSA-N 1 3 311.473 3.618 20 30 DHEDHO C=CCC[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284386773 335014711 /nfs/dbraw/zinc/01/47/11/335014711.db2.gz OVAGOSZKFOHOIP-INIZCTEOSA-N 1 3 302.462 3.604 20 30 DHEDHO N#C[C@@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185762168 333213747 /nfs/dbraw/zinc/21/37/47/333213747.db2.gz GUUQSFCUIYEOEJ-WOJBJXKFSA-N 1 3 311.473 3.844 20 30 DHEDHO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000192783818 333292670 /nfs/dbraw/zinc/29/26/70/333292670.db2.gz HBLBNXLSQSWQAS-SJORKVTESA-N 1 3 317.502 3.632 20 30 DHEDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCC(C)(C)C#N ZINC000276205127 334075058 /nfs/dbraw/zinc/07/50/58/334075058.db2.gz JWOXCQONDCRMOT-IAGOWNOFSA-N 1 3 313.489 3.672 20 30 DHEDHO C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278501222 334096932 /nfs/dbraw/zinc/09/69/32/334096932.db2.gz AGOOQNDFMMESSV-PMACEKPBSA-N 1 3 311.473 3.523 20 30 DHEDHO C[N@H+](Cc1ccccc1)CC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278501222 334096933 /nfs/dbraw/zinc/09/69/33/334096933.db2.gz AGOOQNDFMMESSV-PMACEKPBSA-N 1 3 311.473 3.523 20 30 DHEDHO C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278797507 334101273 /nfs/dbraw/zinc/10/12/73/334101273.db2.gz QXPDQFVDIWSTKJ-FRYIKTPZSA-N 1 3 311.473 3.569 20 30 DHEDHO C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278797507 334101274 /nfs/dbraw/zinc/10/12/74/334101274.db2.gz QXPDQFVDIWSTKJ-FRYIKTPZSA-N 1 3 311.473 3.569 20 30 DHEDHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC(C)(C)CCC#N)CC2)C1 ZINC000348204292 335565468 /nfs/dbraw/zinc/56/54/68/335565468.db2.gz GIKCUEAJHDOSSD-AEFFLSMTSA-N 1 3 305.510 3.949 20 30 DHEDHO N#Cc1ccc2c(c1)[C@H](N[C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423507019 337723742 /nfs/dbraw/zinc/72/37/42/337723742.db2.gz JJTHXOJXRRPMCW-WOJBJXKFSA-N 1 3 305.425 3.615 20 30 DHEDHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000423522642 337724542 /nfs/dbraw/zinc/72/45/42/337724542.db2.gz VCKZHXSAGZVHJU-IFXJQAMLSA-N 1 3 311.404 3.828 20 30 DHEDHO C=CCOc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000537648931 337953206 /nfs/dbraw/zinc/95/32/06/337953206.db2.gz NQBZWKXCZUFNHY-UHFFFAOYSA-N 1 3 316.489 3.805 20 30 DHEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000436284476 338265313 /nfs/dbraw/zinc/26/53/13/338265313.db2.gz BACPGWCJWDWZGF-LFGUQSLTSA-N 1 3 320.521 3.600 20 30 DHEDHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000181696773 520257994 /nfs/dbraw/zinc/25/79/94/520257994.db2.gz YBUBBHNPVMFDNV-MRXNPFEDSA-N 1 3 307.441 3.861 20 30 DHEDHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000181696773 520258004 /nfs/dbraw/zinc/25/80/04/520258004.db2.gz YBUBBHNPVMFDNV-MRXNPFEDSA-N 1 3 307.441 3.861 20 30 DHEDHO C=CCOc1cccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000516993167 1012883424 /nfs/dbraw/zinc/88/34/24/1012883424.db2.gz PJQALVCSNVXJMR-GOSISDBHSA-N 1 3 304.478 3.707 20 30 DHEDHO C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000444674381 1017623616 /nfs/dbraw/zinc/62/36/16/1017623616.db2.gz PBZOBQYMTQEOAO-IRXDYDNUSA-N 1 3 305.510 3.949 20 30 DHEDHO C=CCC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658168556 1018201528 /nfs/dbraw/zinc/20/15/28/1018201528.db2.gz XOFGLSDPDOIMRF-HXUWFJFHSA-N 1 3 313.489 3.628 20 30 DHEDHO C[C@]12CN(CCCCC#N)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000705688866 1018673010 /nfs/dbraw/zinc/67/30/10/1018673010.db2.gz XLARCHIEHLIEBP-BGYRXZFFSA-N 1 3 311.473 3.524 20 30 DHEDHO C[C@]12CN(CCCCC#N)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000705688866 1018673014 /nfs/dbraw/zinc/67/30/14/1018673014.db2.gz XLARCHIEHLIEBP-BGYRXZFFSA-N 1 3 311.473 3.524 20 30 DHEDHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000340472477 1018698803 /nfs/dbraw/zinc/69/88/03/1018698803.db2.gz CFUUZVPFNMWUDE-OAHLLOKOSA-N 1 3 303.425 3.614 20 30 DHEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391911 1019466399 /nfs/dbraw/zinc/46/63/99/1019466399.db2.gz DWBUPCJEEWMMKV-YLJYHZDGSA-N 1 3 311.473 3.646 20 30 DHEDHO CC1CCN(CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390372 1019474532 /nfs/dbraw/zinc/47/45/32/1019474532.db2.gz WNVJZPHCMRKLBN-HXUWFJFHSA-N 1 3 311.473 3.647 20 30 DHEDHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cccc(C#N)c1 ZINC000067668422 1019774811 /nfs/dbraw/zinc/77/48/11/1019774811.db2.gz BUYDGBKBQAISKZ-UHFFFAOYSA-N 1 3 307.441 3.688 20 30 DHEDHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cccc(C#N)c1 ZINC000067668422 1019774827 /nfs/dbraw/zinc/77/48/27/1019774827.db2.gz BUYDGBKBQAISKZ-UHFFFAOYSA-N 1 3 307.441 3.688 20 30 DHEDHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000065976511 1020615488 /nfs/dbraw/zinc/61/54/88/1020615488.db2.gz YZKKUZSKNYSDCW-UHFFFAOYSA-N 1 3 307.441 3.688 20 30 DHEDHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000065976511 1020615494 /nfs/dbraw/zinc/61/54/94/1020615494.db2.gz YZKKUZSKNYSDCW-UHFFFAOYSA-N 1 3 307.441 3.688 20 30 DHEDHO CCC[NH+]1CCC(/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])CC1 ZINC000743334333 1021261238 /nfs/dbraw/zinc/26/12/38/1021261238.db2.gz USGUBSJYCWDLSE-HKWRFOASSA-N 1 3 317.477 3.532 20 30 DHEDHO C[C@H](CCCC#N)N1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001172490799 1033223575 /nfs/dbraw/zinc/22/35/75/1033223575.db2.gz AOTKFDCCPQKZRU-OAHLLOKOSA-N 1 3 319.880 3.758 20 30 DHEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001172490797 1033223689 /nfs/dbraw/zinc/22/36/89/1033223689.db2.gz AOTKFDCCPQKZRU-HNNXBMFYSA-N 1 3 319.880 3.758 20 30 DHEDHO C[C@@H](CCCC#N)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172509653 1033238618 /nfs/dbraw/zinc/23/86/18/1033238618.db2.gz NIHQPHCXQMZMOX-INIZCTEOSA-N 1 3 317.452 3.804 20 30 DHEDHO C[C@@H](CCCC#N)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172509653 1033238631 /nfs/dbraw/zinc/23/86/31/1033238631.db2.gz NIHQPHCXQMZMOX-INIZCTEOSA-N 1 3 317.452 3.804 20 30 DHEDHO C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886650375 1025764146 /nfs/dbraw/zinc/76/41/46/1025764146.db2.gz VHMQERGFQNNYAW-ZONLJJFTSA-N 1 3 322.496 3.821 20 30 DHEDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000423132230 1027426140 /nfs/dbraw/zinc/42/61/40/1027426140.db2.gz OXAXFEQHDCZWEX-UZLBHIALSA-N 1 3 322.456 3.935 20 30 DHEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449546474 1028762259 /nfs/dbraw/zinc/76/22/59/1028762259.db2.gz CFGRGYGRJNMPJO-MSOLQXFVSA-N 1 3 322.537 3.989 20 30 DHEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000818614962 1029419721 /nfs/dbraw/zinc/41/97/21/1029419721.db2.gz JYGNASFAPOGGRM-KBRIMQKVSA-N 1 3 308.853 3.738 20 30 DHEDHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000537408030 1031594815 /nfs/dbraw/zinc/59/48/15/1031594815.db2.gz VDLKZQGYJHWVOJ-AWEZNQCLSA-N 1 3 303.425 3.612 20 30 DHEDHO C=CCC1([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000668552337 1035978618 /nfs/dbraw/zinc/97/86/18/1035978618.db2.gz JFZLGDUSSZMHFL-HKUYNNGSSA-N 1 3 320.521 3.744 20 30 DHEDHO CC(C)(C#N)CCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000595509905 1040158127 /nfs/dbraw/zinc/15/81/27/1040158127.db2.gz YPOXBOCOCQGTPV-UHFFFAOYSA-N 1 3 313.489 3.961 20 30 DHEDHO N#C[C@@H]1CCC[C@@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000361463366 336757574 /nfs/dbraw/zinc/75/75/74/336757574.db2.gz FQUKEUYLQKUQKN-YLJYHZDGSA-N 1 3 311.473 3.844 20 30 DHEDHO C=C(CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423036115 337696493 /nfs/dbraw/zinc/69/64/93/337696493.db2.gz ZXCUPQDJFSGNNJ-FPOVZHCZSA-N 1 3 320.436 3.545 20 30 DHEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000436284474 338265355 /nfs/dbraw/zinc/26/53/55/338265355.db2.gz BACPGWCJWDWZGF-HNJRGHQBSA-N 1 3 320.521 3.600 20 30 DHEDHO C#CCCCN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209268123 1013146519 /nfs/dbraw/zinc/14/65/19/1013146519.db2.gz UOLSAOOBTUGWHQ-UHFFFAOYSA-N 1 3 304.865 3.650 20 30 DHEDHO C#CCCCN1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209268123 1013146526 /nfs/dbraw/zinc/14/65/26/1013146526.db2.gz UOLSAOOBTUGWHQ-UHFFFAOYSA-N 1 3 304.865 3.650 20 30 DHEDHO C=CCCCCCCCN1CCN(CCC[NH+](CC)CC)CC1 ZINC001209439791 1013283408 /nfs/dbraw/zinc/28/34/08/1013283408.db2.gz ZGAGZKGEDSRTNF-UHFFFAOYSA-N 1 3 323.569 3.863 20 30 DHEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000267318357 1014793901 /nfs/dbraw/zinc/79/39/01/1014793901.db2.gz YNQHMYIGVHPGGK-UTKZUKDTSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000267318357 1014793909 /nfs/dbraw/zinc/79/39/09/1014793909.db2.gz YNQHMYIGVHPGGK-UTKZUKDTSA-N 1 3 319.452 3.558 20 30 DHEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000424324907 1011982041 /nfs/dbraw/zinc/98/20/41/1011982041.db2.gz KKEGMVQRNMBLQN-NXNFSMPISA-N 1 3 323.484 3.569 20 30 DHEDHO CC[NH+](CC)Cc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000069716229 1020014970 /nfs/dbraw/zinc/01/49/70/1020014970.db2.gz KYBAVNLSFRMABD-UHFFFAOYSA-N 1 3 307.441 3.690 20 30 DHEDHO C=CCC[C@H](COc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883173139 1024269377 /nfs/dbraw/zinc/26/93/77/1024269377.db2.gz CSNPYLIDWKVNCB-IPMKNSEASA-N 1 3 314.473 3.617 20 30 DHEDHO C=CCC[C@H](COc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883173139 1024269391 /nfs/dbraw/zinc/26/93/91/1024269391.db2.gz CSNPYLIDWKVNCB-IPMKNSEASA-N 1 3 314.473 3.617 20 30 DHEDHO N#CCC1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453210400 1024402239 /nfs/dbraw/zinc/40/22/39/1024402239.db2.gz JLUTZBVWNCRFRX-VAMGGRTRSA-N 1 3 323.484 3.713 20 30 DHEDHO N#CCC1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453210400 1024402245 /nfs/dbraw/zinc/40/22/45/1024402245.db2.gz JLUTZBVWNCRFRX-VAMGGRTRSA-N 1 3 323.484 3.713 20 30 DHEDHO C[C@@]1(CNCc2cccc(C#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000397904711 1026279666 /nfs/dbraw/zinc/27/96/66/1026279666.db2.gz DGAXEZCLWANTSU-NRFANRHFSA-N 1 3 319.452 3.703 20 30 DHEDHO C[C@@]1(CNCc2cccc(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000397904711 1026279674 /nfs/dbraw/zinc/27/96/74/1026279674.db2.gz DGAXEZCLWANTSU-NRFANRHFSA-N 1 3 319.452 3.703 20 30 DHEDHO C#Cc1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000809568925 1026552337 /nfs/dbraw/zinc/55/23/37/1026552337.db2.gz ZILBHFWPHYVHID-UHFFFAOYSA-N 1 3 318.464 3.764 20 30 DHEDHO C=C(CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423036114 1027401104 /nfs/dbraw/zinc/40/11/04/1027401104.db2.gz ZXCUPQDJFSGNNJ-CTNGQTDRSA-N 1 3 320.436 3.545 20 30 DHEDHO C=C(CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423036117 1027401479 /nfs/dbraw/zinc/40/14/79/1027401479.db2.gz ZXCUPQDJFSGNNJ-TZIWHRDSSA-N 1 3 320.436 3.545 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000368578174 1028376477 /nfs/dbraw/zinc/37/64/77/1028376477.db2.gz KOVPGSFVHZILTC-MJGOQNOKSA-N 1 3 310.466 3.512 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000368578174 1028376487 /nfs/dbraw/zinc/37/64/87/1028376487.db2.gz KOVPGSFVHZILTC-MJGOQNOKSA-N 1 3 310.466 3.512 20 30 DHEDHO N#Cc1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566807166 1028783420 /nfs/dbraw/zinc/78/34/20/1028783420.db2.gz FZVZDMMJLIILCR-MOPGFXCFSA-N 1 3 305.425 3.585 20 30 DHEDHO N#Cc1ccccc1-c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566807168 1028784178 /nfs/dbraw/zinc/78/41/78/1028784178.db2.gz FZVZDMMJLIILCR-RBUKOAKNSA-N 1 3 305.425 3.585 20 30 DHEDHO C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000926312924 1030693416 /nfs/dbraw/zinc/69/34/16/1030693416.db2.gz CCCSGZIXSAUUFO-QVKFZJNVSA-N 1 3 319.452 3.958 20 30 DHEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663458 1031512201 /nfs/dbraw/zinc/51/22/01/1031512201.db2.gz JQVNHHANLGFWGK-QWFCFKBJSA-N 1 3 311.473 3.788 20 30 DHEDHO C[C@@H](Cc1cccc(C#N)c1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001171179918 1031563544 /nfs/dbraw/zinc/56/35/44/1031563544.db2.gz YWVOJKLZUIXBNX-LAUBAEHRSA-N 1 3 321.468 3.772 20 30 DHEDHO N=C(Nc1cccc2c1CC[C@@H]2[NH3+])c1ccc2cc(O)ccc2c1 ZINC001171181792 1031578551 /nfs/dbraw/zinc/57/85/51/1031578551.db2.gz CAGAQPHISGBLQF-SFHVURJKSA-N 1 3 317.392 3.528 20 30 DHEDHO Cc1cc(C)[nH+]c(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000183224660 1034362006 /nfs/dbraw/zinc/36/20/06/1034362006.db2.gz UYHRFOWYAASMDF-UHFFFAOYSA-N 1 3 320.440 3.647 20 30 DHEDHO C#C[C@@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001195558829 1036285952 /nfs/dbraw/zinc/28/59/52/1036285952.db2.gz QUPLHRFNOWDSNL-HXUWFJFHSA-N 1 3 324.512 3.676 20 30 DHEDHO C#C[C@@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001195558829 1036285972 /nfs/dbraw/zinc/28/59/72/1036285972.db2.gz QUPLHRFNOWDSNL-HXUWFJFHSA-N 1 3 324.512 3.676 20 30 DHEDHO C=CCCCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000487874410 1036758683 /nfs/dbraw/zinc/75/86/83/1036758683.db2.gz FFLJNZKNLMTNPV-QZTJIDSGSA-N 1 3 308.510 3.554 20 30 DHEDHO CCCCCCCN1CCN(CC[NH+](CCC)CCC)CC1 ZINC001201798131 1037895252 /nfs/dbraw/zinc/89/52/52/1037895252.db2.gz PPTBLBMOXXUGDZ-UHFFFAOYSA-N 1 3 311.558 3.696 20 30 DHEDHO CCCCCCCCCCN1CCN(CCC[NH+](C)C)CC1 ZINC001201875407 1037928009 /nfs/dbraw/zinc/92/80/09/1037928009.db2.gz YMYROLIXRGEGFN-UHFFFAOYSA-N 1 3 311.558 3.696 20 30 DHEDHO C(#CC1CCN(C2CC[NH+](CC3CC3)CC2)CC1)c1ccccc1 ZINC001168388284 1038453370 /nfs/dbraw/zinc/45/33/70/1038453370.db2.gz DCARHLNKQXJBCW-UHFFFAOYSA-N 1 3 322.496 3.625 20 30 DHEDHO CC(C)(C#N)c1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000594496739 1039799605 /nfs/dbraw/zinc/79/96/05/1039799605.db2.gz TUEWTQKKPSUZAC-UHFFFAOYSA-N 1 3 311.473 3.594 20 30 DHEDHO C[N@@H+](Cc1ccccc1)CC1CCN(CC2(CC#N)CC2)CC1 ZINC000602772411 1041202739 /nfs/dbraw/zinc/20/27/39/1041202739.db2.gz IRVLFAUAYVLSHY-UHFFFAOYSA-N 1 3 311.473 3.524 20 30 DHEDHO C[N@H+](Cc1ccccc1)CC1CCN(CC2(CC#N)CC2)CC1 ZINC000602772411 1041202751 /nfs/dbraw/zinc/20/27/51/1041202751.db2.gz IRVLFAUAYVLSHY-UHFFFAOYSA-N 1 3 311.473 3.524 20 30 DHEDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442708811 335035120 /nfs/dbraw/zinc/03/51/20/335035120.db2.gz LPOWHLLZNFPLJF-HLIPFELVSA-N 1 3 311.473 3.700 20 30 DHEDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442708811 335035122 /nfs/dbraw/zinc/03/51/22/335035122.db2.gz LPOWHLLZNFPLJF-HLIPFELVSA-N 1 3 311.473 3.700 20 30 DHEDHO CC1CC[NH+](Cc2ccccc2CN[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442718563 335050033 /nfs/dbraw/zinc/05/00/33/335050033.db2.gz PFLFZGVETYWWNB-FXAWDEMLSA-N 1 3 311.473 3.700 20 30 DHEDHO CC[NH+](CC)Cc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000443981996 338465288 /nfs/dbraw/zinc/46/52/88/338465288.db2.gz SQSILWUEZMNUIB-UHFFFAOYSA-N 1 3 321.468 3.998 20 30 DHEDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000423013783 337695598 /nfs/dbraw/zinc/69/55/98/337695598.db2.gz GSNFJXHMDZSPIF-IERDGZPVSA-N 1 3 319.452 3.703 20 30 DHEDHO C=CCCC[C@H](C)[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536995494 337860463 /nfs/dbraw/zinc/86/04/63/337860463.db2.gz NUSJBBYEABJPOV-BZSNNMDCSA-N 1 3 308.510 3.552 20 30 DHEDHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3CCC(C#N)CC3)CC2)C1 ZINC000442874246 338437101 /nfs/dbraw/zinc/43/71/01/338437101.db2.gz SXJHEVAEMWUUJB-CKVGWXAMSA-N 1 3 317.521 3.949 20 30 DHEDHO N#C[C@@H]1CCC[C@H](NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000463283656 339113366 /nfs/dbraw/zinc/11/33/66/339113366.db2.gz OAGVHEWRFGIPDU-MSOLQXFVSA-N 1 3 303.494 3.847 20 30 DHEDHO C=CCOc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134204402 341209333 /nfs/dbraw/zinc/20/93/33/341209333.db2.gz GICMNQQOKJHFQI-UHFFFAOYSA-N 1 3 314.473 3.559 20 30 DHEDHO C=CC[C@H]([NH2+]C1CCN(CCC(C)C)CC1)c1ccncc1 ZINC000925073791 1013385253 /nfs/dbraw/zinc/38/52/53/1013385253.db2.gz DSMBWNVJHSIHNU-IBGZPJMESA-N 1 3 301.478 3.799 20 30 DHEDHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001167078814 1012551526 /nfs/dbraw/zinc/55/15/26/1012551526.db2.gz XDJVQROBTINJCU-UHFFFAOYSA-N 1 3 313.489 3.811 20 30 DHEDHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001167078814 1012551557 /nfs/dbraw/zinc/55/15/57/1012551557.db2.gz XDJVQROBTINJCU-UHFFFAOYSA-N 1 3 313.489 3.811 20 30 DHEDHO N#C[C@@H]1CC[C@@H](N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000339009337 1032729344 /nfs/dbraw/zinc/72/93/44/1032729344.db2.gz HOQOXSHCYHBEGJ-NJYVYQBISA-N 1 3 323.484 3.667 20 30 DHEDHO N#C[C@@H]1CC[C@@H](N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000339009337 1032729361 /nfs/dbraw/zinc/72/93/61/1032729361.db2.gz HOQOXSHCYHBEGJ-NJYVYQBISA-N 1 3 323.484 3.667 20 30 DHEDHO C=CC[NH+]1CCC(N[C@H]2CCSc3c(F)cccc32)CC1 ZINC000177910558 1020595429 /nfs/dbraw/zinc/59/54/29/1020595429.db2.gz CSKDFERTEPAKBX-INIZCTEOSA-N 1 3 306.450 3.603 20 30 DHEDHO C=CCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000850503000 1021565890 /nfs/dbraw/zinc/56/58/90/1021565890.db2.gz YUZMJBNEXCKSPL-MRXNPFEDSA-N 1 3 302.462 3.908 20 30 DHEDHO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169108657 1022267121 /nfs/dbraw/zinc/26/71/21/1022267121.db2.gz USJNNBJGAXGHDQ-LUKYLMHMSA-N 1 3 300.446 3.527 20 30 DHEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC001172488880 1033223787 /nfs/dbraw/zinc/22/37/87/1033223787.db2.gz XDHLSDVIXXVFMH-HNNXBMFYSA-N 1 3 319.880 3.758 20 30 DHEDHO C#Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000809624078 1026575925 /nfs/dbraw/zinc/57/59/25/1026575925.db2.gz GEWQIDCPKSKEDS-AVRDEDQJSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000809624078 1026575930 /nfs/dbraw/zinc/57/59/30/1026575930.db2.gz GEWQIDCPKSKEDS-AVRDEDQJSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000368578173 1028376727 /nfs/dbraw/zinc/37/67/27/1028376727.db2.gz KOVPGSFVHZILTC-IEBWSBKVSA-N 1 3 310.466 3.512 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000368578173 1028376744 /nfs/dbraw/zinc/37/67/44/1028376744.db2.gz KOVPGSFVHZILTC-IEBWSBKVSA-N 1 3 310.466 3.512 20 30 DHEDHO CCCCCCCCCC[C@@H](O)CN[C@H](C[NH3+])CC(C)C ZINC001246017256 1029635267 /nfs/dbraw/zinc/63/52/67/1029635267.db2.gz XXCXQAPCCPSYTL-ZWKOTPCHSA-N 1 3 300.531 3.841 20 30 DHEDHO N#CCC1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001173332367 1033692034 /nfs/dbraw/zinc/69/20/34/1033692034.db2.gz LYEGGYVNAAWPAM-JLAWEPINSA-N 1 3 315.505 3.869 20 30 DHEDHO CC(C)[PH+](CCNC(=O)C(C#N)Cc1cccs1)C(C)C ZINC001177917515 1035398998 /nfs/dbraw/zinc/39/89/98/1035398998.db2.gz IUWKVHVUQJNQEA-AWEZNQCLSA-N 1 3 324.430 3.845 20 30 DHEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030875 1039363083 /nfs/dbraw/zinc/36/30/83/1039363083.db2.gz PIXCPZRNKNNPON-ZACQAIPSSA-N 1 3 317.502 3.503 20 30 DHEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030875 1039363160 /nfs/dbraw/zinc/36/31/60/1039363160.db2.gz PIXCPZRNKNNPON-ZACQAIPSSA-N 1 3 317.502 3.503 20 30 DHEDHO CC[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602022972 1040857370 /nfs/dbraw/zinc/85/73/70/1040857370.db2.gz VEIKDTRWRFEEMU-PMACEKPBSA-N 1 3 307.441 3.559 20 30 DHEDHO C=CCC(C)(C)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000559879210 332289056 /nfs/dbraw/zinc/28/90/56/332289056.db2.gz ZQWIHSSNCFQMSC-MRXNPFEDSA-N 1 3 304.478 3.880 20 30 DHEDHO C[C@H](CCC#N)[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000298704511 334250668 /nfs/dbraw/zinc/25/06/68/334250668.db2.gz TXJFEPRZEYCVET-HOJAQTOUSA-N 1 3 311.473 3.665 20 30 DHEDHO C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000298704511 334250669 /nfs/dbraw/zinc/25/06/69/334250669.db2.gz TXJFEPRZEYCVET-HOJAQTOUSA-N 1 3 311.473 3.665 20 30 DHEDHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443972400 338464960 /nfs/dbraw/zinc/46/49/60/338464960.db2.gz XYEPUFFLOBPFRI-UHFFFAOYSA-N 1 3 321.468 3.998 20 30 DHEDHO N#CCC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000516255414 338008984 /nfs/dbraw/zinc/00/89/84/338008984.db2.gz DGNHYPRVJHOOGA-UHFFFAOYSA-N 1 3 311.473 3.798 20 30 DHEDHO N#C[C@@H]1CC[C@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000442778089 338430630 /nfs/dbraw/zinc/43/06/30/338430630.db2.gz FLVFCJJUJGBFFN-UXHICEINSA-N 1 3 311.473 3.844 20 30 DHEDHO N#C[C@@H]1CC[C@@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000442778095 338430632 /nfs/dbraw/zinc/43/06/32/338430632.db2.gz FLVFCJJUJGBFFN-WOJBJXKFSA-N 1 3 311.473 3.844 20 30 DHEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772075 341356962 /nfs/dbraw/zinc/35/69/62/341356962.db2.gz IDUNOFBHQLAASM-QFBILLFUSA-N 1 3 313.489 3.650 20 30 DHEDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772075 341356963 /nfs/dbraw/zinc/35/69/63/341356963.db2.gz IDUNOFBHQLAASM-QFBILLFUSA-N 1 3 313.489 3.650 20 30 DHEDHO CC(C)(CCC#N)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016909 1032521300 /nfs/dbraw/zinc/52/13/00/1032521300.db2.gz QHNMBQWSWQNYFA-GOSISDBHSA-N 1 3 305.510 3.904 20 30 DHEDHO C=CCSCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716679420 1032701103 /nfs/dbraw/zinc/70/11/03/1032701103.db2.gz DCNZIKFGUHUWCR-OTWHNJEPSA-N 1 3 316.514 3.548 20 30 DHEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000764667873 1018343251 /nfs/dbraw/zinc/34/32/51/1018343251.db2.gz UWLQVCOZUMWUMO-MRXNPFEDSA-N 1 3 322.880 3.954 20 30 DHEDHO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076109779 1019088627 /nfs/dbraw/zinc/08/86/27/1019088627.db2.gz ZVRVGYOTQRWKDI-NRFANRHFSA-N 1 3 319.452 3.512 20 30 DHEDHO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076109779 1019088644 /nfs/dbraw/zinc/08/86/44/1019088644.db2.gz ZVRVGYOTQRWKDI-NRFANRHFSA-N 1 3 319.452 3.512 20 30 DHEDHO C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)CN1CCCCC1 ZINC000611390991 1019474304 /nfs/dbraw/zinc/47/43/04/1019474304.db2.gz LXVKWXMBNZOEBZ-JXFKEZNVSA-N 1 3 311.473 3.647 20 30 DHEDHO C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)CN1CCCCC1 ZINC000611390995 1019474982 /nfs/dbraw/zinc/47/49/82/1019474982.db2.gz LXVKWXMBNZOEBZ-OXQOHEQNSA-N 1 3 311.473 3.647 20 30 DHEDHO C#CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000781424819 1021367766 /nfs/dbraw/zinc/36/77/66/1021367766.db2.gz ZBGLORPSDIVFRH-NJDAHSKKSA-N 1 3 310.485 3.680 20 30 DHEDHO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169108659 1022266507 /nfs/dbraw/zinc/26/65/07/1022266507.db2.gz USJNNBJGAXGHDQ-VQHPVUNQSA-N 1 3 300.446 3.527 20 30 DHEDHO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169108660 1022267862 /nfs/dbraw/zinc/26/78/62/1022267862.db2.gz USJNNBJGAXGHDQ-WCXIOVBPSA-N 1 3 300.446 3.527 20 30 DHEDHO C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000181436790 1023093824 /nfs/dbraw/zinc/09/38/24/1023093824.db2.gz FDQQBYBZGLBOMQ-KRWDZBQOSA-N 1 3 319.452 3.657 20 30 DHEDHO C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000181436790 1023093833 /nfs/dbraw/zinc/09/38/33/1023093833.db2.gz FDQQBYBZGLBOMQ-KRWDZBQOSA-N 1 3 319.452 3.657 20 30 DHEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001172298499 1033104585 /nfs/dbraw/zinc/10/45/85/1033104585.db2.gz XPRQKGYKRSHMMV-OAHLLOKOSA-N 1 3 313.489 3.730 20 30 DHEDHO CCCCCCC[C@@H](CC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001172346983 1033130536 /nfs/dbraw/zinc/13/05/36/1033130536.db2.gz OKNPGSXUOGJVIX-LJQANCHMSA-N 1 3 311.558 3.741 20 30 DHEDHO N#CCC1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453210402 1024403458 /nfs/dbraw/zinc/40/34/58/1024403458.db2.gz JLUTZBVWNCRFRX-XUVXKRRUSA-N 1 3 323.484 3.713 20 30 DHEDHO N#CCC1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453210402 1024403463 /nfs/dbraw/zinc/40/34/63/1024403463.db2.gz JLUTZBVWNCRFRX-XUVXKRRUSA-N 1 3 323.484 3.713 20 30 DHEDHO C[C@H](CCCC#N)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001172491184 1033222778 /nfs/dbraw/zinc/22/27/78/1033222778.db2.gz DYMFEDOOMIQKTJ-OAHLLOKOSA-N 1 3 319.880 3.758 20 30 DHEDHO N#CCCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353669508 1025191679 /nfs/dbraw/zinc/19/16/79/1025191679.db2.gz CPLVAENJDRGJSF-XUVXKRRUSA-N 1 3 311.473 3.571 20 30 DHEDHO N#CCCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353669508 1025191685 /nfs/dbraw/zinc/19/16/85/1025191685.db2.gz CPLVAENJDRGJSF-XUVXKRRUSA-N 1 3 311.473 3.571 20 30 DHEDHO CC(C)(CC#N)CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886623929 1025748759 /nfs/dbraw/zinc/74/87/59/1025748759.db2.gz TXCMNQUCFLQKEG-FHWLQOOXSA-N 1 3 311.473 3.569 20 30 DHEDHO CC(C)(CC#N)CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886623929 1025748773 /nfs/dbraw/zinc/74/87/73/1025748773.db2.gz TXCMNQUCFLQKEG-FHWLQOOXSA-N 1 3 311.473 3.569 20 30 DHEDHO CC(C)(CC#N)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886623929 1025748786 /nfs/dbraw/zinc/74/87/86/1025748786.db2.gz TXCMNQUCFLQKEG-FHWLQOOXSA-N 1 3 311.473 3.569 20 30 DHEDHO C#Cc1ccc(CNCc2ccccc2C[NH+](CC)CC)cc1 ZINC000809602828 1026573516 /nfs/dbraw/zinc/57/35/16/1026573516.db2.gz ARMDLVFQVUUPMO-UHFFFAOYSA-N 1 3 306.453 3.800 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000813878182 1027746619 /nfs/dbraw/zinc/74/66/19/1027746619.db2.gz LEOHQYGGINFWQI-ZFWWWQNUSA-N 1 3 310.869 3.666 20 30 DHEDHO C#Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000825226570 1030751386 /nfs/dbraw/zinc/75/13/86/1030751386.db2.gz KFNVKTUXVWVDAR-PGRDOPGGSA-N 1 3 318.464 3.668 20 30 DHEDHO C#CCOc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926529978 1030783332 /nfs/dbraw/zinc/78/33/32/1030783332.db2.gz IOEIESYJBFMHFE-KRWDZBQOSA-N 1 3 322.452 3.611 20 30 DHEDHO C#CCOc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000123631907 1031218098 /nfs/dbraw/zinc/21/80/98/1031218098.db2.gz VUFPTFVBLZIHDC-QGZVFWFLSA-N 1 3 322.452 3.611 20 30 DHEDHO C=CCOC1CCC([N@@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001173317236 1033708910 /nfs/dbraw/zinc/70/89/10/1033708910.db2.gz SYCDZGJHTXMJRU-QHGAOEGBSA-N 1 3 316.489 3.597 20 30 DHEDHO C=CCOC1CCC([N@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001173317236 1033708923 /nfs/dbraw/zinc/70/89/23/1033708923.db2.gz SYCDZGJHTXMJRU-QHGAOEGBSA-N 1 3 316.489 3.597 20 30 DHEDHO CC1(C#N)CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001173592412 1033779769 /nfs/dbraw/zinc/77/97/69/1033779769.db2.gz NSSIBEAUPFJTHQ-ZJRDLVKKSA-N 1 3 315.505 3.869 20 30 DHEDHO C#CC[C@H](CCOC)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000862549299 1033885540 /nfs/dbraw/zinc/88/55/40/1033885540.db2.gz ZEZWYTWGHXZHJR-QGZVFWFLSA-N 1 3 322.537 3.684 20 30 DHEDHO CCCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001201762867 1037886187 /nfs/dbraw/zinc/88/61/87/1037886187.db2.gz YBHJJLZSXRMSEV-UXHICEINSA-N 1 3 322.537 3.637 20 30 DHEDHO CCCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001201762867 1037886200 /nfs/dbraw/zinc/88/62/00/1037886200.db2.gz YBHJJLZSXRMSEV-UXHICEINSA-N 1 3 322.537 3.637 20 30 DHEDHO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000570013531 332701994 /nfs/dbraw/zinc/70/19/94/332701994.db2.gz QTLMALJIKXQTHT-MRXNPFEDSA-N 1 3 304.478 3.880 20 30 DHEDHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(OCC#N)cc1 ZINC000181438693 333169286 /nfs/dbraw/zinc/16/92/86/333169286.db2.gz AIWFUWADVTZGOE-INIZCTEOSA-N 1 3 323.440 3.501 20 30 DHEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364032360 333223050 /nfs/dbraw/zinc/22/30/50/333223050.db2.gz YTFGYVJGPFCECP-MJGOQNOKSA-N 1 3 303.494 3.703 20 30 DHEDHO N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000364032360 333223052 /nfs/dbraw/zinc/22/30/52/333223052.db2.gz YTFGYVJGPFCECP-MJGOQNOKSA-N 1 3 303.494 3.703 20 30 DHEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000294955442 334214693 /nfs/dbraw/zinc/21/46/93/334214693.db2.gz DLPCKWGKPXSEKR-DARKYYSBSA-N 1 3 323.484 3.569 20 30 DHEDHO C[C@H](CCC#N)[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000298704519 334250657 /nfs/dbraw/zinc/25/06/57/334250657.db2.gz TXJFEPRZEYCVET-RLLQIKCJSA-N 1 3 311.473 3.665 20 30 DHEDHO C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000298704519 334250658 /nfs/dbraw/zinc/25/06/58/334250658.db2.gz TXJFEPRZEYCVET-RLLQIKCJSA-N 1 3 311.473 3.665 20 30 DHEDHO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(OCCN(C)C)c1 ZINC000348220177 335562754 /nfs/dbraw/zinc/56/27/54/335562754.db2.gz UKYWLYGSENFFDC-MRXNPFEDSA-N 1 3 317.477 3.608 20 30 DHEDHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC(C)(C)CCC#N)CC2)C1 ZINC000348204301 335565508 /nfs/dbraw/zinc/56/55/08/335565508.db2.gz GIKCUEAJHDOSSD-WMZOPIPTSA-N 1 3 305.510 3.949 20 30 DHEDHO N#CCc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000398966026 337313386 /nfs/dbraw/zinc/31/33/86/337313386.db2.gz QXEZDECJZDZEBB-UHFFFAOYSA-N 1 3 319.452 3.507 20 30 DHEDHO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423473834 337721376 /nfs/dbraw/zinc/72/13/76/337721376.db2.gz OJSZWZVUBHDAGS-WXSAJPJJSA-N 1 3 304.453 3.709 20 30 DHEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000436284475 338265365 /nfs/dbraw/zinc/26/53/65/338265365.db2.gz BACPGWCJWDWZGF-JYBIWHBTSA-N 1 3 320.521 3.600 20 30 DHEDHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512647250 340370753 /nfs/dbraw/zinc/37/07/53/340370753.db2.gz HDFLGIKXNIUYJT-CVEARBPZSA-N 1 3 317.452 3.860 20 30 DHEDHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512647250 340370754 /nfs/dbraw/zinc/37/07/54/340370754.db2.gz HDFLGIKXNIUYJT-CVEARBPZSA-N 1 3 317.452 3.860 20 30 DHEDHO CCCC[N@H+](C)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000134172451 341208513 /nfs/dbraw/zinc/20/85/13/341208513.db2.gz XXWGTJCHIBOXLM-UHFFFAOYSA-N 1 3 305.491 3.564 20 30 DHEDHO CCCC[N@@H+](C)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000134172451 341208514 /nfs/dbraw/zinc/20/85/14/341208514.db2.gz XXWGTJCHIBOXLM-UHFFFAOYSA-N 1 3 305.491 3.564 20 30 DHEDHO C[C@H](CC[NH2+]Cc1cc(C#N)cs1)N(C)Cc1ccccc1 ZINC000177708726 1014021423 /nfs/dbraw/zinc/02/14/23/1014021423.db2.gz GWDQWIUWVZGTCI-OAHLLOKOSA-N 1 3 313.470 3.620 20 30 DHEDHO C[C@@H](CC[NH2+][C@H]1CCCc2cc(C#N)ccc21)N1CCCCC1 ZINC000612422578 1032229333 /nfs/dbraw/zinc/22/93/33/1032229333.db2.gz ANJDAHAGRYCATJ-JXFKEZNVSA-N 1 3 311.473 3.790 20 30 DHEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249421 1019076068 /nfs/dbraw/zinc/07/60/68/1019076068.db2.gz IDUNOFBHQLAASM-VQIMIIECSA-N 1 3 313.489 3.650 20 30 DHEDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249421 1019076080 /nfs/dbraw/zinc/07/60/80/1019076080.db2.gz IDUNOFBHQLAASM-VQIMIIECSA-N 1 3 313.489 3.650 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000766166959 1019078168 /nfs/dbraw/zinc/07/81/68/1019078168.db2.gz ZIBNZFPCHKLELT-VYDXJSESSA-N 1 3 322.880 3.951 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000766166959 1019078181 /nfs/dbraw/zinc/07/81/81/1019078181.db2.gz ZIBNZFPCHKLELT-VYDXJSESSA-N 1 3 322.880 3.951 20 30 DHEDHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000065976549 1019464933 /nfs/dbraw/zinc/46/49/33/1019464933.db2.gz CDDPBLZPNVCWQC-UHFFFAOYSA-N 1 3 307.441 3.688 20 30 DHEDHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000065976549 1019464944 /nfs/dbraw/zinc/46/49/44/1019464944.db2.gz CDDPBLZPNVCWQC-UHFFFAOYSA-N 1 3 307.441 3.688 20 30 DHEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(C#N)c1 ZINC000370096626 1019663501 /nfs/dbraw/zinc/66/35/01/1019663501.db2.gz FRLWBDHOGSKRGH-LAUBAEHRSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(C#N)c1 ZINC000370096626 1019663506 /nfs/dbraw/zinc/66/35/06/1019663506.db2.gz FRLWBDHOGSKRGH-LAUBAEHRSA-N 1 3 319.452 3.558 20 30 DHEDHO C=CCC[C@H](COc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883173140 1024268634 /nfs/dbraw/zinc/26/86/34/1024268634.db2.gz CSNPYLIDWKVNCB-OTWHNJEPSA-N 1 3 314.473 3.617 20 30 DHEDHO C=CCC[C@H](COc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883173140 1024268640 /nfs/dbraw/zinc/26/86/40/1024268640.db2.gz CSNPYLIDWKVNCB-OTWHNJEPSA-N 1 3 314.473 3.617 20 30 DHEDHO C#Cc1ccc(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000809620139 1026564934 /nfs/dbraw/zinc/56/49/34/1026564934.db2.gz MUFWEKWUJJSEDW-SFHVURJKSA-N 1 3 318.464 3.983 20 30 DHEDHO CC1CCC([NH+]2CCC(N[C@@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000373187404 1028969123 /nfs/dbraw/zinc/96/91/23/1028969123.db2.gz MHNGQOZKHZTDLM-BDFRZKONSA-N 1 3 303.494 3.701 20 30 DHEDHO C=CCOc1ccccc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925572886 1030410115 /nfs/dbraw/zinc/41/01/15/1030410115.db2.gz LHDDPJNQGZSASP-IBGZPJMESA-N 1 3 310.441 3.821 20 30 DHEDHO N#CCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248404366 1030744374 /nfs/dbraw/zinc/74/43/74/1030744374.db2.gz QCXCIBGJEMDRGT-SLFFLAALSA-N 1 3 311.473 3.571 20 30 DHEDHO C[NH+](C)CC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000594924725 1039928654 /nfs/dbraw/zinc/92/86/54/1039928654.db2.gz MSTPBVBRFMIWSM-GOSISDBHSA-N 1 3 313.489 3.698 20 30 DHEDHO C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158261840 1040184390 /nfs/dbraw/zinc/18/43/90/1040184390.db2.gz BUBUESLLAFXUQC-HZPDHXFCSA-N 1 3 322.880 3.810 20 30 DHEDHO C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158261840 1040184399 /nfs/dbraw/zinc/18/43/99/1040184399.db2.gz BUBUESLLAFXUQC-HZPDHXFCSA-N 1 3 322.880 3.810 20 30 DHEDHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000057626054 184042650 /nfs/dbraw/zinc/04/26/50/184042650.db2.gz UGPBSBAIQMXVHW-UHFFFAOYSA-N 1 3 307.441 3.690 20 30 DHEDHO CC1CC[NH+](Cc2ccccc2CN[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442718570 335050019 /nfs/dbraw/zinc/05/00/19/335050019.db2.gz PFLFZGVETYWWNB-XLIONFOSSA-N 1 3 311.473 3.700 20 30 DHEDHO C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278501224 334096926 /nfs/dbraw/zinc/09/69/26/334096926.db2.gz AGOOQNDFMMESSV-UXHICEINSA-N 1 3 311.473 3.523 20 30 DHEDHO C[N@H+](Cc1ccccc1)CC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278501224 334096927 /nfs/dbraw/zinc/09/69/27/334096927.db2.gz AGOOQNDFMMESSV-UXHICEINSA-N 1 3 311.473 3.523 20 30 DHEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000294955463 334214852 /nfs/dbraw/zinc/21/48/52/334214852.db2.gz DLPCKWGKPXSEKR-RKFFNLMFSA-N 1 3 323.484 3.569 20 30 DHEDHO C[C@@H]1C[C@H](C[NH2+]CC(C)(C)CCC#N)CN1Cc1ccccc1 ZINC000120174788 337395453 /nfs/dbraw/zinc/39/54/53/337395453.db2.gz TTYWVTJPYSXOLS-IEBWSBKVSA-N 1 3 313.489 3.817 20 30 DHEDHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3CCC(C#N)CC3)CC2)C1 ZINC000442874248 338437116 /nfs/dbraw/zinc/43/71/16/338437116.db2.gz SXJHEVAEMWUUJB-KMEYYKJISA-N 1 3 317.521 3.949 20 30 DHEDHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC(C)(C)CC#N ZINC000459737773 339045394 /nfs/dbraw/zinc/04/53/94/339045394.db2.gz WOMWXHDDFJEKMU-UHFFFAOYSA-N 1 3 301.478 3.674 20 30 DHEDHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCC(C)(C)CC#N ZINC000459737773 339045393 /nfs/dbraw/zinc/04/53/93/339045393.db2.gz WOMWXHDDFJEKMU-UHFFFAOYSA-N 1 3 301.478 3.674 20 30 DHEDHO CC(C)(CCC#N)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016911 1032520265 /nfs/dbraw/zinc/52/02/65/1032520265.db2.gz QHNMBQWSWQNYFA-SFHVURJKSA-N 1 3 305.510 3.904 20 30 DHEDHO C=CC[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613250 1017573605 /nfs/dbraw/zinc/57/36/05/1017573605.db2.gz JQSHEYRFIGDODN-FXAWDEMLSA-N 1 3 313.489 3.628 20 30 DHEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708537130 1018840676 /nfs/dbraw/zinc/84/06/76/1018840676.db2.gz IQOCCTRRLIQDCZ-LMMKCTJWSA-N 1 3 313.489 3.672 20 30 DHEDHO CN1C(C)(C)CC([NH2+]C23CCC(C#N)(CC2)CC3)CC1(C)C ZINC001171623417 1032807720 /nfs/dbraw/zinc/80/77/20/1032807720.db2.gz XWXBLVFALRHHPJ-UHFFFAOYSA-N 1 3 303.494 3.844 20 30 DHEDHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390340 1019474595 /nfs/dbraw/zinc/47/45/95/1019474595.db2.gz UCOCKBLTLKZDTG-OXJNMPFZSA-N 1 3 311.473 3.790 20 30 DHEDHO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000123774915 1020098826 /nfs/dbraw/zinc/09/88/26/1020098826.db2.gz RBYYFWRIOQVLCR-QGZVFWFLSA-N 1 3 319.452 3.873 20 30 DHEDHO C[C@H](Cc1ccc(C#N)cc1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172296165 1033101503 /nfs/dbraw/zinc/10/15/03/1033101503.db2.gz XQWPYHYGGVNMHR-UTKZUKDTSA-N 1 3 321.468 3.772 20 30 DHEDHO C[C@H](CCCC#N)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001172486374 1033198136 /nfs/dbraw/zinc/19/81/36/1033198136.db2.gz BMRYPVIIPGNVMY-MRXNPFEDSA-N 1 3 317.452 3.710 20 30 DHEDHO CCCCCCC[C@H](CCC)[NH+]1CCN(CCN(C)C)CC1 ZINC001172507886 1033238536 /nfs/dbraw/zinc/23/85/36/1033238536.db2.gz CMIXGGBZIGJROE-IBGZPJMESA-N 1 3 311.558 3.695 20 30 DHEDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138776 1028002539 /nfs/dbraw/zinc/00/25/39/1028002539.db2.gz YDPAGBOAGVCSRX-PKOBYXMFSA-N 1 3 313.489 3.674 20 30 DHEDHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)C1 ZINC000449445954 1028648785 /nfs/dbraw/zinc/64/87/85/1028648785.db2.gz MVPJJHXFLUOEDH-KCITZHQASA-N 1 3 303.494 3.701 20 30 DHEDHO N#CC1(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000411397541 1029122799 /nfs/dbraw/zinc/12/27/99/1029122799.db2.gz HUSBFWYJLAVMQO-PKOBYXMFSA-N 1 3 315.505 3.799 20 30 DHEDHO N#CC1(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000411397541 1029122804 /nfs/dbraw/zinc/12/28/04/1029122804.db2.gz HUSBFWYJLAVMQO-PKOBYXMFSA-N 1 3 315.505 3.799 20 30 DHEDHO CC[C@@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000360838087 1031580382 /nfs/dbraw/zinc/58/03/82/1031580382.db2.gz SSSWRVZZEFZVJM-AZUAARDMSA-N 1 3 311.473 3.790 20 30 DHEDHO CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782296 1031608675 /nfs/dbraw/zinc/60/86/75/1031608675.db2.gz UNMABGOPHVHQFK-GUYCJALGSA-N 1 3 305.853 3.516 20 30 DHEDHO CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782296 1031608683 /nfs/dbraw/zinc/60/86/83/1031608683.db2.gz UNMABGOPHVHQFK-GUYCJALGSA-N 1 3 305.853 3.516 20 30 DHEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171189610 1031617077 /nfs/dbraw/zinc/61/70/77/1031617077.db2.gz HTSPXJFWBYUWRR-HNNXBMFYSA-N 1 3 313.489 3.730 20 30 DHEDHO CC[N@H+](CCC1CCN(CC#Cc2ccccc2)CC1)CC1CC1 ZINC000484058553 1035315557 /nfs/dbraw/zinc/31/55/57/1035315557.db2.gz XETCJSAMMLMCNQ-UHFFFAOYSA-N 1 3 324.512 3.872 20 30 DHEDHO CC[N@@H+](CCC1CCN(CC#Cc2ccccc2)CC1)CC1CC1 ZINC000484058553 1035315562 /nfs/dbraw/zinc/31/55/62/1035315562.db2.gz XETCJSAMMLMCNQ-UHFFFAOYSA-N 1 3 324.512 3.872 20 30 DHEDHO C=CCC1([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000668552591 1035973032 /nfs/dbraw/zinc/97/30/32/1035973032.db2.gz PFNADVGTJAGREX-PKOBYXMFSA-N 1 3 320.521 3.744 20 30 DHEDHO CCCCCCCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001201839508 1037917860 /nfs/dbraw/zinc/91/78/60/1037917860.db2.gz GBSGSJHKNNLIDO-UHFFFAOYSA-N 1 3 310.526 3.922 20 30 DHEDHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)CCC#N)C2)s1 ZINC000572606567 1038476046 /nfs/dbraw/zinc/47/60/46/1038476046.db2.gz XUZHRVWZLLCPKV-HOCLYGCPSA-N 1 3 305.491 3.503 20 30 DHEDHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)CCC#N)C2)s1 ZINC000572606567 1038476050 /nfs/dbraw/zinc/47/60/50/1038476050.db2.gz XUZHRVWZLLCPKV-HOCLYGCPSA-N 1 3 305.491 3.503 20 30 DHEDHO C[NH+](C)CC[C@H](NCc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000594924726 1039929351 /nfs/dbraw/zinc/92/93/51/1039929351.db2.gz MSTPBVBRFMIWSM-SFHVURJKSA-N 1 3 313.489 3.698 20 30 DHEDHO CCCCCCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000761120386 1040174097 /nfs/dbraw/zinc/17/40/97/1040174097.db2.gz FEYZDIOLKGEVRC-UHFFFAOYSA-N 1 3 323.569 3.837 20 30 DHEDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442708810 335035369 /nfs/dbraw/zinc/03/53/69/335035369.db2.gz LPOWHLLZNFPLJF-FUHIMQAGSA-N 1 3 311.473 3.700 20 30 DHEDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442708810 335035370 /nfs/dbraw/zinc/03/53/70/335035370.db2.gz LPOWHLLZNFPLJF-FUHIMQAGSA-N 1 3 311.473 3.700 20 30 DHEDHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763570 333172135 /nfs/dbraw/zinc/17/21/35/333172135.db2.gz YEHDRVXLEFXEHA-MAUKXSAKSA-N 1 3 317.477 3.606 20 30 DHEDHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCC(C)(C)C#N ZINC000272005712 334029743 /nfs/dbraw/zinc/02/97/43/334029743.db2.gz IWVPJBDNGBEIGE-UHFFFAOYSA-N 1 3 314.477 3.560 20 30 DHEDHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCC(C)(C)C#N ZINC000272005712 334029744 /nfs/dbraw/zinc/02/97/44/334029744.db2.gz IWVPJBDNGBEIGE-UHFFFAOYSA-N 1 3 314.477 3.560 20 30 DHEDHO N#Cc1cccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000011095834 336244294 /nfs/dbraw/zinc/24/42/94/336244294.db2.gz ZXTMAGLFIKDOSM-UHFFFAOYSA-N 1 3 319.452 3.834 20 30 DHEDHO CC1CC[NH+](Cc2ccc(CN[C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442648917 338426664 /nfs/dbraw/zinc/42/66/64/338426664.db2.gz MKSSBCDDVSVRMO-PMACEKPBSA-N 1 3 311.473 3.700 20 30 DHEDHO C=CCCCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000487874411 339764774 /nfs/dbraw/zinc/76/47/74/339764774.db2.gz FFLJNZKNLMTNPV-ROUUACIJSA-N 1 3 308.510 3.554 20 30 DHEDHO C=C(Cl)COc1ccc([C@@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000159324046 1019042653 /nfs/dbraw/zinc/04/26/53/1019042653.db2.gz FQXXBPORKJWLSE-OAHLLOKOSA-N 1 3 322.880 3.953 20 30 DHEDHO C#CCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000781424821 1021367834 /nfs/dbraw/zinc/36/78/34/1021367834.db2.gz ZBGLORPSDIVFRH-PWRODBHTSA-N 1 3 310.485 3.680 20 30 DHEDHO CC(C)(C)N1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000850035773 1021399437 /nfs/dbraw/zinc/39/94/37/1021399437.db2.gz BUSRKWJPMYFJAB-UHFFFAOYSA-N 1 3 311.473 3.594 20 30 DHEDHO N#Cc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000925663817 1023023775 /nfs/dbraw/zinc/02/37/75/1023023775.db2.gz AANVZVNYZTWYLJ-SFHVURJKSA-N 1 3 313.832 3.781 20 30 DHEDHO C=CCC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000883194761 1024281823 /nfs/dbraw/zinc/28/18/23/1024281823.db2.gz CFEKRAWNBUDPHS-VQTJNVASSA-N 1 3 320.521 3.887 20 30 DHEDHO C[C@H](CCCC#N)N1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC001172488881 1033223265 /nfs/dbraw/zinc/22/32/65/1033223265.db2.gz XDHLSDVIXXVFMH-OAHLLOKOSA-N 1 3 319.880 3.758 20 30 DHEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC000353261941 1025005006 /nfs/dbraw/zinc/00/50/06/1025005006.db2.gz DDGXJONWOBPNBT-HXUWFJFHSA-N 1 3 309.457 3.542 20 30 DHEDHO N#Cc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000053136858 1025503070 /nfs/dbraw/zinc/50/30/70/1025503070.db2.gz VBOGBAISQJNZDE-UHFFFAOYSA-N 1 3 319.452 3.834 20 30 DHEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886617317 1025742714 /nfs/dbraw/zinc/74/27/14/1025742714.db2.gz KKXMKEZFBOMKFS-BWUHRYBWSA-N 1 3 323.484 3.711 20 30 DHEDHO N#Cc1ccccc1CSCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422987450 1027387641 /nfs/dbraw/zinc/38/76/41/1027387641.db2.gz IKIRWEYGKGWQQQ-MOPGFXCFSA-N 1 3 323.465 3.526 20 30 DHEDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000423132229 1027426072 /nfs/dbraw/zinc/42/60/72/1027426072.db2.gz OXAXFEQHDCZWEX-OXQOHEQNSA-N 1 3 322.456 3.935 20 30 DHEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423193721 1027452562 /nfs/dbraw/zinc/45/25/62/1027452562.db2.gz WAQXWPMMBRXXHM-MAUKXSAKSA-N 1 3 309.457 3.687 20 30 DHEDHO CC(C)(CCC#N)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000363168156 1027544263 /nfs/dbraw/zinc/54/42/63/1027544263.db2.gz UTPPHXMRWSXEDR-UHFFFAOYSA-N 1 3 305.510 3.951 20 30 DHEDHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000423522643 1027581923 /nfs/dbraw/zinc/58/19/23/1027581923.db2.gz VCKZHXSAGZVHJU-KUHUBIRLSA-N 1 3 311.404 3.828 20 30 DHEDHO N#CCCC[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000578866722 1028259723 /nfs/dbraw/zinc/25/97/23/1028259723.db2.gz XROOTTQUKJZVLW-FQEVSTJZSA-N 1 3 311.473 3.886 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000368578172 1028378046 /nfs/dbraw/zinc/37/80/46/1028378046.db2.gz KOVPGSFVHZILTC-HKUYNNGSSA-N 1 3 310.466 3.512 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000368578172 1028378058 /nfs/dbraw/zinc/37/80/58/1028378058.db2.gz KOVPGSFVHZILTC-HKUYNNGSSA-N 1 3 310.466 3.512 20 30 DHEDHO CC[C@@H](CN[C@H]1CCCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000360838089 1031585028 /nfs/dbraw/zinc/58/50/28/1031585028.db2.gz SSSWRVZZEFZVJM-ICSRJNTNSA-N 1 3 311.473 3.790 20 30 DHEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000152986237 332332046 /nfs/dbraw/zinc/33/20/46/332332046.db2.gz NJBXKARPVFLARW-CQSZACIVSA-N 1 3 324.415 3.979 20 30 DHEDHO C=C(C)C[NH+]1CCC(N[C@H]2CCSc3ccccc32)CC1 ZINC000152969582 332334024 /nfs/dbraw/zinc/33/40/24/332334024.db2.gz HFFXAWYZIOVHHJ-KRWDZBQOSA-N 1 3 302.487 3.854 20 30 DHEDHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(OCC#N)cc1 ZINC000181438714 333169252 /nfs/dbraw/zinc/16/92/52/333169252.db2.gz AIWFUWADVTZGOE-MRXNPFEDSA-N 1 3 323.440 3.501 20 30 DHEDHO N#C[C@@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185762186 333213903 /nfs/dbraw/zinc/21/39/03/333213903.db2.gz GUUQSFCUIYEOEJ-UXHICEINSA-N 1 3 311.473 3.844 20 30 DHEDHO N#C[C@H]1CCC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364032361 333222952 /nfs/dbraw/zinc/22/29/52/333222952.db2.gz YTFGYVJGPFCECP-PKOBYXMFSA-N 1 3 303.494 3.703 20 30 DHEDHO N#C[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000364032361 333222954 /nfs/dbraw/zinc/22/29/54/333222954.db2.gz YTFGYVJGPFCECP-PKOBYXMFSA-N 1 3 303.494 3.703 20 30 DHEDHO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342808765 334578973 /nfs/dbraw/zinc/57/89/73/334578973.db2.gz QGUIEAULTPBQNX-DLBZAZTESA-N 1 3 316.489 3.850 20 30 DHEDHO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(OCCN(C)C)c1 ZINC000348220174 335562783 /nfs/dbraw/zinc/56/27/83/335562783.db2.gz UKYWLYGSENFFDC-INIZCTEOSA-N 1 3 317.477 3.608 20 30 DHEDHO N#Cc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121803174 336980601 /nfs/dbraw/zinc/98/06/01/336980601.db2.gz RJOOBVYUYCYAKX-UHFFFAOYSA-N 1 3 311.473 3.646 20 30 DHEDHO CC1CC[NH+](Cc2cccc(CN[C@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442789698 338431536 /nfs/dbraw/zinc/43/15/36/338431536.db2.gz KENMNDIFEAPFJB-PXNSSMCTSA-N 1 3 311.473 3.700 20 30 DHEDHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000512659488 340371585 /nfs/dbraw/zinc/37/15/85/340371585.db2.gz HJPPCVDVOARMDD-HUUCEWRRSA-N 1 3 305.441 3.858 20 30 DHEDHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341826225 1015756641 /nfs/dbraw/zinc/75/66/41/1015756641.db2.gz QJUFHRRTCQVZBR-LJQANCHMSA-N 1 3 311.473 3.788 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2ccc(OCCC)cc2C)CC1 ZINC000657353577 1016422708 /nfs/dbraw/zinc/42/27/08/1016422708.db2.gz RZKSMSHEAIFFDJ-UHFFFAOYSA-N 1 3 316.489 3.914 20 30 DHEDHO C[C@@H](CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)N1CCCCC1 ZINC000612422579 1032230864 /nfs/dbraw/zinc/23/08/64/1032230864.db2.gz ANJDAHAGRYCATJ-OXJNMPFZSA-N 1 3 311.473 3.790 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2ccc(F)c3cccnc23)CC1 ZINC000151840210 1019105568 /nfs/dbraw/zinc/10/55/68/1019105568.db2.gz LWAYBKASLWSQFH-UHFFFAOYSA-N 1 3 313.420 3.504 20 30 DHEDHO CC(C)CN1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390744 1019465857 /nfs/dbraw/zinc/46/58/57/1019465857.db2.gz RPBQCHULZGIWLH-FQEVSTJZSA-N 1 3 311.473 3.646 20 30 DHEDHO C=CCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000850502999 1021565140 /nfs/dbraw/zinc/56/51/40/1021565140.db2.gz YUZMJBNEXCKSPL-INIZCTEOSA-N 1 3 302.462 3.908 20 30 DHEDHO CC[NH+](CC)CCCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000180792876 1022828509 /nfs/dbraw/zinc/82/85/09/1022828509.db2.gz YGPIOHATVODSBU-UHFFFAOYSA-N 1 3 319.518 3.954 20 30 DHEDHO CC[NH+](CC)CCCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000180789440 1022830962 /nfs/dbraw/zinc/83/09/62/1022830962.db2.gz DSWQIQBIFCGXEK-UHFFFAOYSA-N 1 3 319.518 3.954 20 30 DHEDHO CCC(CC)N1CCC([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299595 1033103678 /nfs/dbraw/zinc/10/36/78/1033103678.db2.gz LXLPBTOCZILLIL-INIZCTEOSA-N 1 3 313.489 3.732 20 30 DHEDHO CCC(CC)N1CCC([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299596 1033104107 /nfs/dbraw/zinc/10/41/07/1033104107.db2.gz LXLPBTOCZILLIL-MRXNPFEDSA-N 1 3 313.489 3.732 20 30 DHEDHO C#Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000809625013 1026574805 /nfs/dbraw/zinc/57/48/05/1026574805.db2.gz UASJNZDRNOPUJT-GCJKJVERSA-N 1 3 318.464 3.811 20 30 DHEDHO C#Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000809625013 1026574812 /nfs/dbraw/zinc/57/48/12/1026574812.db2.gz UASJNZDRNOPUJT-GCJKJVERSA-N 1 3 318.464 3.811 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000809623602 1026574952 /nfs/dbraw/zinc/57/49/52/1026574952.db2.gz YLWBCBAGLNQUOM-AZUAARDMSA-N 1 3 324.493 3.902 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000809623602 1026574957 /nfs/dbraw/zinc/57/49/57/1026574957.db2.gz YLWBCBAGLNQUOM-AZUAARDMSA-N 1 3 324.493 3.902 20 30 DHEDHO C#Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000809624079 1026575097 /nfs/dbraw/zinc/57/50/97/1026575097.db2.gz GEWQIDCPKSKEDS-GCJKJVERSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000809624079 1026575107 /nfs/dbraw/zinc/57/51/07/1026575107.db2.gz GEWQIDCPKSKEDS-GCJKJVERSA-N 1 3 318.464 3.668 20 30 DHEDHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CN1Cc1ccccc1 ZINC000368649702 1028387950 /nfs/dbraw/zinc/38/79/50/1028387950.db2.gz HYOFVDQLPHHATE-VBSBHUPXSA-N 1 3 311.473 3.569 20 30 DHEDHO C=CCC[C@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449702134 1028921595 /nfs/dbraw/zinc/92/15/95/1028921595.db2.gz YGGSXJGUTZOWBO-QGZVFWFLSA-N 1 3 310.526 3.582 20 30 DHEDHO N#CCC1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374018904 1029189290 /nfs/dbraw/zinc/18/92/90/1029189290.db2.gz QAMFEMIYOPYMCB-XUVXKRRUSA-N 1 3 323.484 3.571 20 30 DHEDHO N#CCC1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374018904 1029189300 /nfs/dbraw/zinc/18/93/00/1029189300.db2.gz QAMFEMIYOPYMCB-XUVXKRRUSA-N 1 3 323.484 3.571 20 30 DHEDHO CCCCN1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000537408032 1031596424 /nfs/dbraw/zinc/59/64/24/1031596424.db2.gz VDLKZQGYJHWVOJ-CQSZACIVSA-N 1 3 303.425 3.612 20 30 DHEDHO CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782297 1031607699 /nfs/dbraw/zinc/60/76/99/1031607699.db2.gz UNMABGOPHVHQFK-SUMWQHHRSA-N 1 3 305.853 3.516 20 30 DHEDHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782297 1031607705 /nfs/dbraw/zinc/60/77/05/1031607705.db2.gz UNMABGOPHVHQFK-SUMWQHHRSA-N 1 3 305.853 3.516 20 30 DHEDHO N#CCC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC001173333542 1033691871 /nfs/dbraw/zinc/69/18/71/1033691871.db2.gz JOPZIZMEIHQBSA-UHFFFAOYSA-N 1 3 303.494 3.846 20 30 DHEDHO C=CCOC1CCC([NH2+]C2CCN(C(CC)CC)CC2)CC1 ZINC001173317197 1033709787 /nfs/dbraw/zinc/70/97/87/1033709787.db2.gz SHXLYMPSYWDGLN-UHFFFAOYSA-N 1 3 308.510 3.743 20 30 DHEDHO C=CCCCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000487874409 1036758532 /nfs/dbraw/zinc/75/85/32/1036758532.db2.gz FFLJNZKNLMTNPV-HDICACEKSA-N 1 3 308.510 3.554 20 30 DHEDHO CCCCCCCCN1CCN(CCC[NH+](CC)CC)CC1 ZINC001201826514 1037911078 /nfs/dbraw/zinc/91/10/78/1037911078.db2.gz ZAXVVLGALLDDDR-UHFFFAOYSA-N 1 3 311.558 3.696 20 30 DHEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342808766 334578778 /nfs/dbraw/zinc/57/87/78/334578778.db2.gz QGUIEAULTPBQNX-IAGOWNOFSA-N 1 3 316.489 3.850 20 30 DHEDHO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423473832 337721389 /nfs/dbraw/zinc/72/13/89/337721389.db2.gz OJSZWZVUBHDAGS-JHDROBOHSA-N 1 3 304.453 3.709 20 30 DHEDHO N#Cc1ccc2c(c1)[C@H](N[C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423507018 337723725 /nfs/dbraw/zinc/72/37/25/337723725.db2.gz JJTHXOJXRRPMCW-VQTJNVASSA-N 1 3 305.425 3.615 20 30 DHEDHO CC(C)(CC#N)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000459739723 339045398 /nfs/dbraw/zinc/04/53/98/339045398.db2.gz YZMCZMQGDOZUDM-YQQQUEKLSA-N 1 3 311.473 3.711 20 30 DHEDHO CC(C)(CC#N)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000459739723 339045399 /nfs/dbraw/zinc/04/53/99/339045399.db2.gz YZMCZMQGDOZUDM-YQQQUEKLSA-N 1 3 311.473 3.711 20 30 DHEDHO N#C[C@@H]1CCC[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000463283657 339113239 /nfs/dbraw/zinc/11/32/39/339113239.db2.gz OAGVHEWRFGIPDU-QZTJIDSGSA-N 1 3 303.494 3.847 20 30 DHEDHO C=CCOc1ccc(C[N@@H+](CCC)C2CCNCC2)cc1Cl ZINC000470006847 339308227 /nfs/dbraw/zinc/30/82/27/339308227.db2.gz VLZUNCKTTYJJNR-UHFFFAOYSA-N 1 3 322.880 3.869 20 30 DHEDHO C=CCOc1ccc(C[N@H+](CCC)C2CCNCC2)cc1Cl ZINC000470006847 339308228 /nfs/dbraw/zinc/30/82/28/339308228.db2.gz VLZUNCKTTYJJNR-UHFFFAOYSA-N 1 3 322.880 3.869 20 30 DHEDHO C=CCC[C@@H](CC)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000551564341 341345594 /nfs/dbraw/zinc/34/55/94/341345594.db2.gz NZLASYQBPQEQOR-GOSISDBHSA-N 1 3 316.489 3.994 20 30 DHEDHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000181696804 520258229 /nfs/dbraw/zinc/25/82/29/520258229.db2.gz OPRZKJZQQTTXDN-INIZCTEOSA-N 1 3 307.441 3.861 20 30 DHEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000181696804 520258239 /nfs/dbraw/zinc/25/82/39/520258239.db2.gz OPRZKJZQQTTXDN-INIZCTEOSA-N 1 3 307.441 3.861 20 30 DHEDHO N#CC12CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)(CC1)CC2 ZINC001167967900 1013345742 /nfs/dbraw/zinc/34/57/42/1013345742.db2.gz KNSOHBDFYRLFLM-HGVRWNOSSA-N 1 3 313.489 3.598 20 30 DHEDHO C=CC[N@@H+](Cc1ccc(N2CCN(CC)CC2)cc1)C(C)(C)C ZINC001140309282 1014474145 /nfs/dbraw/zinc/47/41/45/1014474145.db2.gz ABQWLUOIMMKESV-UHFFFAOYSA-N 1 3 315.505 3.615 20 30 DHEDHO C=CC[N@H+](Cc1ccc(N2CCN(CC)CC2)cc1)C(C)(C)C ZINC001140309282 1014474151 /nfs/dbraw/zinc/47/41/51/1014474151.db2.gz ABQWLUOIMMKESV-UHFFFAOYSA-N 1 3 315.505 3.615 20 30 DHEDHO C=CCOc1cccc(C[N@H+](CC)CCCN2CCCC2)c1 ZINC000349403465 1014765108 /nfs/dbraw/zinc/76/51/08/1014765108.db2.gz BOISRWNOYVXADY-UHFFFAOYSA-N 1 3 302.462 3.559 20 30 DHEDHO C=CCOc1cccc(C[N@@H+](CC)CCCN2CCCC2)c1 ZINC000349403465 1014765120 /nfs/dbraw/zinc/76/51/20/1014765120.db2.gz BOISRWNOYVXADY-UHFFFAOYSA-N 1 3 302.462 3.559 20 30 DHEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000247113095 1018704960 /nfs/dbraw/zinc/70/49/60/1018704960.db2.gz QQPUYCQSDJKXCV-HZPDHXFCSA-N 1 3 322.880 3.810 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2cccc(-c3ccccn3)c2)CC1 ZINC000127784451 1032784866 /nfs/dbraw/zinc/78/48/66/1032784866.db2.gz ZCXZBTADTZHYFD-UHFFFAOYSA-N 1 3 321.468 3.879 20 30 DHEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000370096627 1019662649 /nfs/dbraw/zinc/66/26/49/1019662649.db2.gz FRLWBDHOGSKRGH-UTKZUKDTSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000370096627 1019662661 /nfs/dbraw/zinc/66/26/61/1019662661.db2.gz FRLWBDHOGSKRGH-UTKZUKDTSA-N 1 3 319.452 3.558 20 30 DHEDHO CCCCCCCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000740876577 1020957975 /nfs/dbraw/zinc/95/79/75/1020957975.db2.gz UIBFQDQFSOXUFG-WOJBJXKFSA-N 1 3 323.569 3.837 20 30 DHEDHO C[C@@H](CCCC#N)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001172486370 1033198619 /nfs/dbraw/zinc/19/86/19/1033198619.db2.gz BMRYPVIIPGNVMY-INIZCTEOSA-N 1 3 317.452 3.710 20 30 DHEDHO C[C@@H]1C[C@@H](CCNCc2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000513498924 1026528023 /nfs/dbraw/zinc/52/80/23/1026528023.db2.gz CRDFUNNXWOWTEY-SJLPKXTDSA-N 1 3 323.440 3.542 20 30 DHEDHO C[C@@H]1C[C@@H](CCNCc2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000513498924 1026528028 /nfs/dbraw/zinc/52/80/28/1026528028.db2.gz CRDFUNNXWOWTEY-SJLPKXTDSA-N 1 3 323.440 3.542 20 30 DHEDHO C#Cc1ccc(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000809620138 1026565656 /nfs/dbraw/zinc/56/56/56/1026565656.db2.gz MUFWEKWUJJSEDW-GOSISDBHSA-N 1 3 318.464 3.983 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000809623605 1026574601 /nfs/dbraw/zinc/57/46/01/1026574601.db2.gz YLWBCBAGLNQUOM-UYAOXDASSA-N 1 3 324.493 3.902 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000809623605 1026574605 /nfs/dbraw/zinc/57/46/05/1026574605.db2.gz YLWBCBAGLNQUOM-UYAOXDASSA-N 1 3 324.493 3.902 20 30 DHEDHO N#Cc1ccccc1CSCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422987452 1027385954 /nfs/dbraw/zinc/38/59/54/1027385954.db2.gz IKIRWEYGKGWQQQ-RBUKOAKNSA-N 1 3 323.465 3.526 20 30 DHEDHO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000574946537 1027443848 /nfs/dbraw/zinc/44/38/48/1027443848.db2.gz LNKFFGKJXFNRRR-HSALFYBXSA-N 1 3 311.473 3.571 20 30 DHEDHO N#C[C@@H]1CC[C@@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000574946537 1027443852 /nfs/dbraw/zinc/44/38/52/1027443852.db2.gz LNKFFGKJXFNRRR-HSALFYBXSA-N 1 3 311.473 3.571 20 30 DHEDHO N#C[C@@H]1CC[C@@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574946537 1027443859 /nfs/dbraw/zinc/44/38/59/1027443859.db2.gz LNKFFGKJXFNRRR-HSALFYBXSA-N 1 3 311.473 3.571 20 30 DHEDHO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423193723 1027453160 /nfs/dbraw/zinc/45/31/60/1027453160.db2.gz WAQXWPMMBRXXHM-YJBOKZPZSA-N 1 3 309.457 3.687 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000813878180 1027748260 /nfs/dbraw/zinc/74/82/60/1027748260.db2.gz LEOHQYGGINFWQI-HIFRSBDPSA-N 1 3 310.869 3.666 20 30 DHEDHO N#CC1CCC(C[NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000367036747 1028124239 /nfs/dbraw/zinc/12/42/39/1028124239.db2.gz PHZLRZNJQYMTHN-UHFFFAOYSA-N 1 3 317.521 3.951 20 30 DHEDHO N#CCCCCN1CCCC2(CCC[N@H+](CCCCC#N)C2)C1 ZINC000368240372 1028325539 /nfs/dbraw/zinc/32/55/39/1028325539.db2.gz JBFPNYGEWQJIEL-UHFFFAOYSA-N 1 3 316.493 3.552 20 30 DHEDHO N#CCCCCN1CCCC2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC000368240372 1028325555 /nfs/dbraw/zinc/32/55/55/1028325555.db2.gz JBFPNYGEWQJIEL-UHFFFAOYSA-N 1 3 316.493 3.552 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000163311085 1029169078 /nfs/dbraw/zinc/16/90/78/1029169078.db2.gz QQPUYCQSDJKXCV-HOTGVXAUSA-N 1 3 322.880 3.810 20 30 DHEDHO N#Cc1ccc(CNCCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000865717788 1029987302 /nfs/dbraw/zinc/98/73/02/1029987302.db2.gz LFIYLRGEWFJPQW-UHFFFAOYSA-N 1 3 323.440 3.543 20 30 DHEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663455 1031511647 /nfs/dbraw/zinc/51/16/47/1031511647.db2.gz JQVNHHANLGFWGK-GGPKGHCWSA-N 1 3 311.473 3.788 20 30 DHEDHO CCCC[NH+]1CCC(N(C)[C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232407 1032018578 /nfs/dbraw/zinc/01/85/78/1032018578.db2.gz RIZGTLLEDVZYGD-QGZVFWFLSA-N 1 3 313.489 3.686 20 30 DHEDHO N#CCC1CCC(N2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001173332056 1033691936 /nfs/dbraw/zinc/69/19/36/1033691936.db2.gz HBQSBVAXMCCXRJ-UHFFFAOYSA-N 1 3 315.436 3.548 20 30 DHEDHO CC[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602022973 1040855965 /nfs/dbraw/zinc/85/59/65/1040855965.db2.gz VEIKDTRWRFEEMU-UXHICEINSA-N 1 3 307.441 3.559 20 30 DHEDHO N#C[C@H]1CC[C@H](NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000442777202 338430450 /nfs/dbraw/zinc/43/04/50/338430450.db2.gz IMPAUSHYMKZUTA-PXNSSMCTSA-N 1 3 311.473 3.844 20 30 DHEDHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000512646768 340370774 /nfs/dbraw/zinc/37/07/74/340370774.db2.gz CZEZLJROUFOVPB-MRXNPFEDSA-N 1 3 317.452 3.860 20 30 DHEDHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512647254 340370807 /nfs/dbraw/zinc/37/08/07/340370807.db2.gz HDFLGIKXNIUYJT-JKSUJKDBSA-N 1 3 317.452 3.860 20 30 DHEDHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512647254 340370808 /nfs/dbraw/zinc/37/08/08/340370808.db2.gz HDFLGIKXNIUYJT-JKSUJKDBSA-N 1 3 317.452 3.860 20 30 DHEDHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512647252 340370838 /nfs/dbraw/zinc/37/08/38/340370838.db2.gz HDFLGIKXNIUYJT-HZPDHXFCSA-N 1 3 317.452 3.860 20 30 DHEDHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512647252 340370839 /nfs/dbraw/zinc/37/08/39/340370839.db2.gz HDFLGIKXNIUYJT-HZPDHXFCSA-N 1 3 317.452 3.860 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2ccc3nc(C)ccc3c2)CC1 ZINC000189325836 1014173879 /nfs/dbraw/zinc/17/38/79/1014173879.db2.gz ODFAIZZNQWAGCL-UHFFFAOYSA-N 1 3 309.457 3.673 20 30 DHEDHO C=CCOc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000523862961 1017809969 /nfs/dbraw/zinc/80/99/69/1017809969.db2.gz FBRVBGOJKWIPDP-SFHVURJKSA-N 1 3 304.478 3.707 20 30 DHEDHO C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC001172480662 1033192414 /nfs/dbraw/zinc/19/24/14/1033192414.db2.gz WNFWSRSCVIWHDY-VBSBHUPXSA-N 1 3 311.473 3.569 20 30 DHEDHO C[C@H](CCCC#N)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172509654 1033238232 /nfs/dbraw/zinc/23/82/32/1033238232.db2.gz NIHQPHCXQMZMOX-MRXNPFEDSA-N 1 3 317.452 3.804 20 30 DHEDHO C[C@H](CCCC#N)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172509654 1033238240 /nfs/dbraw/zinc/23/82/40/1033238240.db2.gz NIHQPHCXQMZMOX-MRXNPFEDSA-N 1 3 317.452 3.804 20 30 DHEDHO CC[C@@H](C)CON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000793146010 1024914527 /nfs/dbraw/zinc/91/45/27/1024914527.db2.gz NVXFJOPXGYXZIB-MRXNPFEDSA-N 1 3 317.477 3.614 20 30 DHEDHO C[C@@H]1C[C@H](CCNCc2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000513498919 1026526867 /nfs/dbraw/zinc/52/68/67/1026526867.db2.gz CRDFUNNXWOWTEY-AEFFLSMTSA-N 1 3 323.440 3.542 20 30 DHEDHO C[C@@H]1C[C@H](CCNCc2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000513498919 1026526872 /nfs/dbraw/zinc/52/68/72/1026526872.db2.gz CRDFUNNXWOWTEY-AEFFLSMTSA-N 1 3 323.440 3.542 20 30 DHEDHO C=C(CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423036116 1027400292 /nfs/dbraw/zinc/40/02/92/1027400292.db2.gz ZXCUPQDJFSGNNJ-PZJWPPBQSA-N 1 3 320.436 3.545 20 30 DHEDHO CC1(C#N)CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000449109213 1028358693 /nfs/dbraw/zinc/35/86/93/1028358693.db2.gz XIAFYQNRSFQWPO-UHFFFAOYSA-N 1 3 303.494 3.703 20 30 DHEDHO CC1(C#N)CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000449176776 1028417781 /nfs/dbraw/zinc/41/77/81/1028417781.db2.gz NNLHVCFCSQUELN-UHFFFAOYSA-N 1 3 303.494 3.846 20 30 DHEDHO CC(C)[NH+]1CCC(CCN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000866467432 1030311296 /nfs/dbraw/zinc/31/12/96/1030311296.db2.gz HTEAJLVKKTYSAW-OAHLLOKOSA-N 1 3 317.452 3.858 20 30 DHEDHO C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925926541 1030548996 /nfs/dbraw/zinc/54/89/96/1030548996.db2.gz QOMNYJIPQKSZSA-MRXNPFEDSA-N 1 3 319.452 3.960 20 30 DHEDHO CC(C)([NH3+])c1ccccc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171185080 1031592315 /nfs/dbraw/zinc/59/23/15/1031592315.db2.gz FERXAEQNZXQCDR-UHFFFAOYSA-N 1 3 319.408 3.776 20 30 DHEDHO N#CCC1CCC(N2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001173334559 1033692301 /nfs/dbraw/zinc/69/23/01/1033692301.db2.gz XVQYMWUNSTVOGY-UHFFFAOYSA-N 1 3 315.436 3.548 20 30 DHEDHO C[NH+](C)CC[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(C)(C)C ZINC000594513295 1039815858 /nfs/dbraw/zinc/81/58/58/1039815858.db2.gz MUSBSOMRNRRTCC-SFHVURJKSA-N 1 3 315.505 3.944 20 30 DHEDHO CC[N@H+](CCCN1CCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597128941 1040658754 /nfs/dbraw/zinc/65/87/54/1040658754.db2.gz KXKWKOBNDNHYMK-UHFFFAOYSA-N 1 3 311.473 3.550 20 30 DHEDHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597128941 1040658761 /nfs/dbraw/zinc/65/87/61/1040658761.db2.gz KXKWKOBNDNHYMK-UHFFFAOYSA-N 1 3 311.473 3.550 20 30 DHEDHO CC[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602022974 1040856159 /nfs/dbraw/zinc/85/61/59/1040856159.db2.gz VEIKDTRWRFEEMU-VQTJNVASSA-N 1 3 307.441 3.559 20 30 DHEDHO N#C[C@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185762146 333213703 /nfs/dbraw/zinc/21/37/03/333213703.db2.gz GUUQSFCUIYEOEJ-PMACEKPBSA-N 1 3 311.473 3.844 20 30 DHEDHO C=CCOc1cccc(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415064500 334262442 /nfs/dbraw/zinc/26/24/42/334262442.db2.gz KVBUXIGUJWLQKN-FQEVSTJZSA-N 1 3 310.441 3.821 20 30 DHEDHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC(C)(C)CCC#N)CC2)C1 ZINC000348204298 335565497 /nfs/dbraw/zinc/56/54/97/335565497.db2.gz GIKCUEAJHDOSSD-SJLPKXTDSA-N 1 3 305.510 3.949 20 30 DHEDHO C=CCC[C@H](NCC1(SC)CC[NH+](C)CC1)c1ccco1 ZINC000353650911 336431766 /nfs/dbraw/zinc/43/17/66/336431766.db2.gz SGBUSQVQMFQPLV-HNNXBMFYSA-N 1 3 308.491 3.704 20 30 DHEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(C#N)c(F)c2)C1 ZINC000421336939 337527181 /nfs/dbraw/zinc/52/71/81/337527181.db2.gz XPORJNZVWGBHNH-HZPDHXFCSA-N 1 3 317.452 3.545 20 30 DHEDHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000249293969 341396081 /nfs/dbraw/zinc/39/60/81/341396081.db2.gz BONGQGORFJXYQB-IAGOWNOFSA-N 1 3 315.461 3.504 20 30 DHEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000267318361 1014793676 /nfs/dbraw/zinc/79/36/76/1014793676.db2.gz YNQHMYIGVHPGGK-UWJYYQICSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000267318361 1014793688 /nfs/dbraw/zinc/79/36/88/1014793688.db2.gz YNQHMYIGVHPGGK-UWJYYQICSA-N 1 3 319.452 3.558 20 30 DHEDHO C=CC[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613252 1017574660 /nfs/dbraw/zinc/57/46/60/1017574660.db2.gz JQSHEYRFIGDODN-XLIONFOSSA-N 1 3 313.489 3.628 20 30 DHEDHO N#C[C@@H]1CC[C@@H](N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000339009336 1032730210 /nfs/dbraw/zinc/73/02/10/1032730210.db2.gz HOQOXSHCYHBEGJ-NJDAHSKKSA-N 1 3 323.484 3.667 20 30 DHEDHO N#C[C@@H]1CC[C@@H](N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000339009336 1032730221 /nfs/dbraw/zinc/73/02/21/1032730221.db2.gz HOQOXSHCYHBEGJ-NJDAHSKKSA-N 1 3 323.484 3.667 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000764667872 1018344571 /nfs/dbraw/zinc/34/45/71/1018344571.db2.gz UWLQVCOZUMWUMO-INIZCTEOSA-N 1 3 322.880 3.954 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000766166961 1019077995 /nfs/dbraw/zinc/07/79/95/1019077995.db2.gz ZIBNZFPCHKLELT-ZOBUZTSGSA-N 1 3 322.880 3.951 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000766166961 1019078012 /nfs/dbraw/zinc/07/80/12/1019078012.db2.gz ZIBNZFPCHKLELT-ZOBUZTSGSA-N 1 3 322.880 3.951 20 30 DHEDHO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000123774718 1020100585 /nfs/dbraw/zinc/10/05/85/1020100585.db2.gz RBYYFWRIOQVLCR-KRWDZBQOSA-N 1 3 319.452 3.873 20 30 DHEDHO C#C[C@](C)(CC)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069236 1032995953 /nfs/dbraw/zinc/99/59/53/1032995953.db2.gz HPNOUIZENAZIGT-MXEMCNAFSA-N 1 3 310.485 3.964 20 30 DHEDHO C#C[C@](C)(CC)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069236 1032995969 /nfs/dbraw/zinc/99/59/69/1032995969.db2.gz HPNOUIZENAZIGT-MXEMCNAFSA-N 1 3 310.485 3.964 20 30 DHEDHO C#CCN([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124261 1033022189 /nfs/dbraw/zinc/02/21/89/1033022189.db2.gz KBMDZUKCJCBMJM-XODKDNOYSA-N 1 3 308.469 3.624 20 30 DHEDHO C#CCN([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124261 1033022194 /nfs/dbraw/zinc/02/21/94/1033022194.db2.gz KBMDZUKCJCBMJM-XODKDNOYSA-N 1 3 308.469 3.624 20 30 DHEDHO C=CCOc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768168289 1022911512 /nfs/dbraw/zinc/91/15/12/1022911512.db2.gz HOMFDOJFSYCRCB-UHFFFAOYSA-N 1 3 324.468 3.945 20 30 DHEDHO C[C@@H](Cc1ccc(C#N)cc1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001172296164 1033102245 /nfs/dbraw/zinc/10/22/45/1033102245.db2.gz XQWPYHYGGVNMHR-LAUBAEHRSA-N 1 3 321.468 3.772 20 30 DHEDHO C[C@@]1(CNCc2ccc(C#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397913771 1026279868 /nfs/dbraw/zinc/27/98/68/1026279868.db2.gz JBTXWAHQXLCEFH-NRFANRHFSA-N 1 3 319.452 3.703 20 30 DHEDHO C[C@@]1(CNCc2ccc(C#N)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000397913771 1026279876 /nfs/dbraw/zinc/27/98/76/1026279876.db2.gz JBTXWAHQXLCEFH-NRFANRHFSA-N 1 3 319.452 3.703 20 30 DHEDHO C[C@]1(CNCc2ccc(C#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397913774 1026280480 /nfs/dbraw/zinc/28/04/80/1026280480.db2.gz JBTXWAHQXLCEFH-OAQYLSRUSA-N 1 3 319.452 3.703 20 30 DHEDHO C[C@]1(CNCc2ccc(C#N)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000397913774 1026280491 /nfs/dbraw/zinc/28/04/91/1026280491.db2.gz JBTXWAHQXLCEFH-OAQYLSRUSA-N 1 3 319.452 3.703 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000809623604 1026575736 /nfs/dbraw/zinc/57/57/36/1026575736.db2.gz YLWBCBAGLNQUOM-QUCCMNQESA-N 1 3 324.493 3.902 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000809623604 1026575745 /nfs/dbraw/zinc/57/57/45/1026575745.db2.gz YLWBCBAGLNQUOM-QUCCMNQESA-N 1 3 324.493 3.902 20 30 DHEDHO C#Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000809624081 1026575827 /nfs/dbraw/zinc/57/58/27/1026575827.db2.gz GEWQIDCPKSKEDS-XMSQKQJNSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000809624081 1026575831 /nfs/dbraw/zinc/57/58/31/1026575831.db2.gz GEWQIDCPKSKEDS-XMSQKQJNSA-N 1 3 318.464 3.668 20 30 DHEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138775 1028001612 /nfs/dbraw/zinc/00/16/12/1028001612.db2.gz YDPAGBOAGVCSRX-MJGOQNOKSA-N 1 3 313.489 3.674 20 30 DHEDHO C#CCOc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000817963530 1029300653 /nfs/dbraw/zinc/30/06/53/1029300653.db2.gz TXFDKZOZBPSLOG-JKSUJKDBSA-N 1 3 308.425 3.569 20 30 DHEDHO CCCCCCCCCC[C@H](O)CN[C@H](C[NH3+])CC(C)C ZINC001246017241 1029635660 /nfs/dbraw/zinc/63/56/60/1029635660.db2.gz XXCXQAPCCPSYTL-ROUUACIJSA-N 1 3 300.531 3.841 20 30 DHEDHO C#Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000825226568 1030753460 /nfs/dbraw/zinc/75/34/60/1030753460.db2.gz KFNVKTUXVWVDAR-AVRDEDQJSA-N 1 3 318.464 3.668 20 30 DHEDHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929644972 1031566588 /nfs/dbraw/zinc/56/65/88/1031566588.db2.gz YYWQXBRMUCQGCJ-FVELJTHGSA-N 1 3 317.521 3.903 20 30 DHEDHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929644972 1031566591 /nfs/dbraw/zinc/56/65/91/1031566591.db2.gz YYWQXBRMUCQGCJ-FVELJTHGSA-N 1 3 317.521 3.903 20 30 DHEDHO CCC(CC)N1CCC([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194780 1031645595 /nfs/dbraw/zinc/64/55/95/1031645595.db2.gz MCPYFWJBXKHEDE-INIZCTEOSA-N 1 3 313.489 3.732 20 30 DHEDHO CCC(CC)[NH+]1CCC(N[C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194780 1031645608 /nfs/dbraw/zinc/64/56/08/1031645608.db2.gz MCPYFWJBXKHEDE-INIZCTEOSA-N 1 3 313.489 3.732 20 30 DHEDHO C#C[C@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001195558819 1036288148 /nfs/dbraw/zinc/28/81/48/1036288148.db2.gz QUPLHRFNOWDSNL-FQEVSTJZSA-N 1 3 324.512 3.676 20 30 DHEDHO C#C[C@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001195558819 1036288167 /nfs/dbraw/zinc/28/81/67/1036288167.db2.gz QUPLHRFNOWDSNL-FQEVSTJZSA-N 1 3 324.512 3.676 20 30 DHEDHO C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272219331 1036335598 /nfs/dbraw/zinc/33/55/98/1036335598.db2.gz RPYKOEZJIVIXCF-UWJYYQICSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(C#N)cc2F)C1 ZINC000533448776 331533492 /nfs/dbraw/zinc/53/34/92/331533492.db2.gz HUEGBMGRVOLEQW-HZPDHXFCSA-N 1 3 317.452 3.545 20 30 DHEDHO C=CCCCC[C@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000449166500 331919375 /nfs/dbraw/zinc/91/93/75/331919375.db2.gz DGMSMYNLJPWWBI-IBGZPJMESA-N 1 3 321.553 3.661 20 30 DHEDHO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000414528984 334008043 /nfs/dbraw/zinc/00/80/43/334008043.db2.gz BTJWLINFXJJXAB-FQEVSTJZSA-N 1 3 321.468 3.827 20 30 DHEDHO C[C@H](CCC#N)[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000298706678 334250886 /nfs/dbraw/zinc/25/08/86/334250886.db2.gz TXJFEPRZEYCVET-YZGWKJHDSA-N 1 3 311.473 3.665 20 30 DHEDHO C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000298706678 334250887 /nfs/dbraw/zinc/25/08/87/334250887.db2.gz TXJFEPRZEYCVET-YZGWKJHDSA-N 1 3 311.473 3.665 20 30 DHEDHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1cccc(C#N)c1 ZINC000248403837 341376606 /nfs/dbraw/zinc/37/66/06/341376606.db2.gz PFYIDFYOESMIAI-BXWFABGCSA-N 1 3 311.473 3.862 20 30 DHEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000341703950 1015685570 /nfs/dbraw/zinc/68/55/70/1015685570.db2.gz CYMSQYAEIBULIE-NRFANRHFSA-N 1 3 323.484 3.932 20 30 DHEDHO C[C@@H](NCC#CC[NH2+][C@H](C)c1ccsc1)c1ccsc1 ZINC000671243946 1016736379 /nfs/dbraw/zinc/73/63/79/1016736379.db2.gz PKVRAXGURLONJC-ZIAGYGMSSA-N 1 3 304.484 3.814 20 30 DHEDHO N#C[C@@H]1CC[C@H](N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000339009335 1032730793 /nfs/dbraw/zinc/73/07/93/1032730793.db2.gz HOQOXSHCYHBEGJ-HKBOAZHASA-N 1 3 323.484 3.667 20 30 DHEDHO N#C[C@@H]1CC[C@H](N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000339009335 1032730807 /nfs/dbraw/zinc/73/08/07/1032730807.db2.gz HOQOXSHCYHBEGJ-HKBOAZHASA-N 1 3 323.484 3.667 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000766166958 1019077372 /nfs/dbraw/zinc/07/73/72/1019077372.db2.gz ZIBNZFPCHKLELT-HLLBOEOZSA-N 1 3 322.880 3.951 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000766166958 1019077377 /nfs/dbraw/zinc/07/73/77/1019077377.db2.gz ZIBNZFPCHKLELT-HLLBOEOZSA-N 1 3 322.880 3.951 20 30 DHEDHO C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000181436805 1023093228 /nfs/dbraw/zinc/09/32/28/1023093228.db2.gz FDQQBYBZGLBOMQ-QGZVFWFLSA-N 1 3 319.452 3.657 20 30 DHEDHO C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000181436805 1023093239 /nfs/dbraw/zinc/09/32/39/1023093239.db2.gz FDQQBYBZGLBOMQ-QGZVFWFLSA-N 1 3 319.452 3.657 20 30 DHEDHO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccccc1)C[C@@H](C)CN ZINC001172299211 1033104704 /nfs/dbraw/zinc/10/47/04/1033104704.db2.gz KFJBDZUVTXVFLV-ZWKOTPCHSA-N 1 3 321.468 3.586 20 30 DHEDHO C[C@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccccc1)C[C@@H](C)CN ZINC001172299211 1033104711 /nfs/dbraw/zinc/10/47/11/1033104711.db2.gz KFJBDZUVTXVFLV-ZWKOTPCHSA-N 1 3 321.468 3.586 20 30 DHEDHO CCCCCCC[C@@H](CCC)[NH+]1CCN(CCN(C)C)CC1 ZINC001172507887 1033237165 /nfs/dbraw/zinc/23/71/65/1033237165.db2.gz CMIXGGBZIGJROE-LJQANCHMSA-N 1 3 311.558 3.695 20 30 DHEDHO C=CC[NH+]1CCC(N[C@@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000357063821 1026301457 /nfs/dbraw/zinc/30/14/57/1026301457.db2.gz BZUIWWYJIQNQCJ-IUODEOHRSA-N 1 3 308.516 3.914 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000809611281 1026563799 /nfs/dbraw/zinc/56/37/99/1026563799.db2.gz YFFHOCINHMOAJD-IBGZPJMESA-N 1 3 324.493 3.731 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000809611281 1026563807 /nfs/dbraw/zinc/56/38/07/1026563807.db2.gz YFFHOCINHMOAJD-IBGZPJMESA-N 1 3 324.493 3.731 20 30 DHEDHO C#Cc1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809635245 1026578997 /nfs/dbraw/zinc/57/89/97/1026578997.db2.gz VCXDQTNZSSIPCI-AVRDEDQJSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809635245 1026579004 /nfs/dbraw/zinc/57/90/04/1026579004.db2.gz VCXDQTNZSSIPCI-AVRDEDQJSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000809635245 1026579014 /nfs/dbraw/zinc/57/90/14/1026579014.db2.gz VCXDQTNZSSIPCI-AVRDEDQJSA-N 1 3 318.464 3.668 20 30 DHEDHO CCC1(N2CCC2)CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000931753353 1027247741 /nfs/dbraw/zinc/24/77/41/1027247741.db2.gz XCJPOCKIUIORPA-UHFFFAOYSA-N 1 3 303.494 3.801 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000368578175 1028378907 /nfs/dbraw/zinc/37/89/07/1028378907.db2.gz KOVPGSFVHZILTC-PKOBYXMFSA-N 1 3 310.466 3.512 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000368578175 1028378961 /nfs/dbraw/zinc/37/89/61/1028378961.db2.gz KOVPGSFVHZILTC-PKOBYXMFSA-N 1 3 310.466 3.512 20 30 DHEDHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)CN1Cc1ccccc1 ZINC000368649699 1028388697 /nfs/dbraw/zinc/38/86/97/1028388697.db2.gz HYOFVDQLPHHATE-AFYVEPGGSA-N 1 3 311.473 3.569 20 30 DHEDHO CC1(C#N)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411502447 1029141429 /nfs/dbraw/zinc/14/14/29/1029141429.db2.gz WKVGMZLVPKCHDU-UHFFFAOYSA-N 1 3 311.473 3.798 20 30 DHEDHO C#CCOc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000817963529 1029300959 /nfs/dbraw/zinc/30/09/59/1029300959.db2.gz TXFDKZOZBPSLOG-HZPDHXFCSA-N 1 3 308.425 3.569 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000817970096 1029309623 /nfs/dbraw/zinc/30/96/23/1029309623.db2.gz LFJLGCYYZOBKTN-NUEKZKHPSA-N 1 3 308.853 3.738 20 30 DHEDHO CC[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602022975 1040857285 /nfs/dbraw/zinc/85/72/85/1040857285.db2.gz VEIKDTRWRFEEMU-WOJBJXKFSA-N 1 3 307.441 3.559 20 30 DHEDHO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000602665891 1041150257 /nfs/dbraw/zinc/15/02/57/1041150257.db2.gz DLLBEEAFDRREDA-ICSRJNTNSA-N 1 3 313.489 3.818 20 30 DHEDHO C[N@@H+]1CC[C@H](NCc2ccc(CC#N)cc2)C[C@@H]1c1ccccc1 ZINC000518532810 332074910 /nfs/dbraw/zinc/07/49/10/332074910.db2.gz DCSCVCTWPNNHOA-LEWJYISDSA-N 1 3 319.452 3.678 20 30 DHEDHO C[N@H+]1CC[C@H](NCc2ccc(CC#N)cc2)C[C@@H]1c1ccccc1 ZINC000518532810 332074912 /nfs/dbraw/zinc/07/49/12/332074912.db2.gz DCSCVCTWPNNHOA-LEWJYISDSA-N 1 3 319.452 3.678 20 30 DHEDHO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342808768 334578886 /nfs/dbraw/zinc/57/88/86/334578886.db2.gz QGUIEAULTPBQNX-SJORKVTESA-N 1 3 316.489 3.850 20 30 DHEDHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512659487 340371561 /nfs/dbraw/zinc/37/15/61/340371561.db2.gz HJPPCVDVOARMDD-GJZGRUSLSA-N 1 3 305.441 3.858 20 30 DHEDHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000181917706 525324364 /nfs/dbraw/zinc/32/43/64/525324364.db2.gz NHDJFFSBVFIIDP-INIZCTEOSA-N 1 3 320.440 3.520 20 30 DHEDHO C=CCCCCCCCCN1CCN(CC[NH+](CC)CC)CC1 ZINC001209442418 1013290793 /nfs/dbraw/zinc/29/07/93/1013290793.db2.gz IDJMEEGRULJGDH-UHFFFAOYSA-N 1 3 323.569 3.863 20 30 DHEDHO N#C[C@@H]1CC[C@H](N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000339009338 1032731414 /nfs/dbraw/zinc/73/14/14/1032731414.db2.gz HOQOXSHCYHBEGJ-QHAWAJNXSA-N 1 3 323.484 3.667 20 30 DHEDHO N#C[C@@H]1CC[C@H](N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000339009338 1032731430 /nfs/dbraw/zinc/73/14/30/1032731430.db2.gz HOQOXSHCYHBEGJ-QHAWAJNXSA-N 1 3 323.484 3.667 20 30 DHEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708537141 1018842815 /nfs/dbraw/zinc/84/28/15/1018842815.db2.gz IQOCCTRRLIQDCZ-YQVWRLOYSA-N 1 3 313.489 3.672 20 30 DHEDHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390341 1019473467 /nfs/dbraw/zinc/47/34/67/1019473467.db2.gz UCOCKBLTLKZDTG-OXQOHEQNSA-N 1 3 311.473 3.790 20 30 DHEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000360837035 1020592341 /nfs/dbraw/zinc/59/23/41/1020592341.db2.gz OICUXKOSRLMZKX-OAQYLSRUSA-N 1 3 323.484 3.932 20 30 DHEDHO C[C@@H](Cc1ccc(C#N)cc1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172296166 1033101171 /nfs/dbraw/zinc/10/11/71/1033101171.db2.gz XQWPYHYGGVNMHR-UWJYYQICSA-N 1 3 321.468 3.772 20 30 DHEDHO C=CCC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000883194760 1024283026 /nfs/dbraw/zinc/28/30/26/1024283026.db2.gz CFEKRAWNBUDPHS-UXHICEINSA-N 1 3 320.521 3.887 20 30 DHEDHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000423522641 1027579454 /nfs/dbraw/zinc/57/94/54/1027579454.db2.gz VCKZHXSAGZVHJU-AUUYWEPGSA-N 1 3 311.404 3.828 20 30 DHEDHO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000449236519 1028456417 /nfs/dbraw/zinc/45/64/17/1028456417.db2.gz YEVYGAPWQCXIPY-INECWFNRSA-N 1 3 303.494 3.701 20 30 DHEDHO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110055 1028559062 /nfs/dbraw/zinc/55/90/62/1028559062.db2.gz WXGIKKBVDQORMY-OAQYLSRUSA-N 1 3 319.452 3.512 20 30 DHEDHO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110055 1028559073 /nfs/dbraw/zinc/55/90/73/1028559073.db2.gz WXGIKKBVDQORMY-OAQYLSRUSA-N 1 3 319.452 3.512 20 30 DHEDHO C#Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000825226571 1030753635 /nfs/dbraw/zinc/75/36/35/1030753635.db2.gz KFNVKTUXVWVDAR-XMSQKQJNSA-N 1 3 318.464 3.668 20 30 DHEDHO C=CCCC[C@H](C)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536995496 1031482808 /nfs/dbraw/zinc/48/28/08/1031482808.db2.gz NUSJBBYEABJPOV-OKZBNKHCSA-N 1 3 308.510 3.552 20 30 DHEDHO N=C(Nc1cccc2c1CC[C@H]2[NH3+])c1ccc2cc(O)ccc2c1 ZINC001171181790 1031577908 /nfs/dbraw/zinc/57/79/08/1031577908.db2.gz CAGAQPHISGBLQF-GOSISDBHSA-N 1 3 317.392 3.528 20 30 DHEDHO N#Cc1ccc(CNC2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000772929585 1031651015 /nfs/dbraw/zinc/65/10/15/1031651015.db2.gz KTSTVFXFTXRJTA-UHFFFAOYSA-N 1 3 315.436 3.584 20 30 DHEDHO CCCC[NH+]1CCC(N(C)[C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232406 1032019436 /nfs/dbraw/zinc/01/94/36/1032019436.db2.gz RIZGTLLEDVZYGD-KRWDZBQOSA-N 1 3 313.489 3.686 20 30 DHEDHO N#CCC1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001173332368 1033691291 /nfs/dbraw/zinc/69/12/91/1033691291.db2.gz LYEGGYVNAAWPAM-XBMUEBEBSA-N 1 3 315.505 3.869 20 30 DHEDHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540314749 1036036113 /nfs/dbraw/zinc/03/61/13/1036036113.db2.gz WSFMMBJNWKWTJN-HRAATJIYSA-N 1 3 319.452 3.655 20 30 DHEDHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540314749 1036036135 /nfs/dbraw/zinc/03/61/35/1036036135.db2.gz WSFMMBJNWKWTJN-HRAATJIYSA-N 1 3 319.452 3.655 20 30 DHEDHO CN1CCC2(CCC[N@@H+]2Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594605527 1039869987 /nfs/dbraw/zinc/86/99/87/1039869987.db2.gz CAWOIXFFAVTZPN-UHFFFAOYSA-N 1 3 311.473 3.548 20 30 DHEDHO CN1CCC2(CCC[N@H+]2Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594605527 1039870016 /nfs/dbraw/zinc/87/00/16/1039870016.db2.gz CAWOIXFFAVTZPN-UHFFFAOYSA-N 1 3 311.473 3.548 20 30 DHEDHO CC(C)(CC#N)CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602692126 1041154322 /nfs/dbraw/zinc/15/43/22/1041154322.db2.gz UJMCYGGMYVRIKX-IEBWSBKVSA-N 1 3 311.473 3.884 20 30 DHEDHO CC(C)(CC#N)CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602692126 1041154326 /nfs/dbraw/zinc/15/43/26/1041154326.db2.gz UJMCYGGMYVRIKX-IEBWSBKVSA-N 1 3 311.473 3.884 20 30 DHEDHO C=CCC[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284386774 335014707 /nfs/dbraw/zinc/01/47/07/335014707.db2.gz OVAGOSZKFOHOIP-MRXNPFEDSA-N 1 3 302.462 3.604 20 30 DHEDHO N#C[C@H]1CCC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364032358 333223104 /nfs/dbraw/zinc/22/31/04/333223104.db2.gz YTFGYVJGPFCECP-HKUYNNGSSA-N 1 3 303.494 3.703 20 30 DHEDHO N#C[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000364032358 333223106 /nfs/dbraw/zinc/22/31/06/333223106.db2.gz YTFGYVJGPFCECP-HKUYNNGSSA-N 1 3 303.494 3.703 20 30 DHEDHO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000192783799 333292753 /nfs/dbraw/zinc/29/27/53/333292753.db2.gz HBLBNXLSQSWQAS-IAGOWNOFSA-N 1 3 317.502 3.632 20 30 DHEDHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000193929350 337080667 /nfs/dbraw/zinc/08/06/67/337080667.db2.gz SLTVNXDZJQTZPZ-OAHLLOKOSA-N 1 3 315.461 3.502 20 30 DHEDHO N#Cc1csc(CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000093769359 337921239 /nfs/dbraw/zinc/92/12/39/337921239.db2.gz IGWRUPDMOLCEFD-UHFFFAOYSA-N 1 3 317.502 3.708 20 30 DHEDHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)C1 ZINC000449445955 338624634 /nfs/dbraw/zinc/62/46/34/338624634.db2.gz MVPJJHXFLUOEDH-NEPXVJNWSA-N 1 3 303.494 3.701 20 30 DHEDHO N#C[C@H]1CCC[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000463283659 339113294 /nfs/dbraw/zinc/11/32/94/339113294.db2.gz OAGVHEWRFGIPDU-ZWKOTPCHSA-N 1 3 303.494 3.847 20 30 DHEDHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512647251 340370765 /nfs/dbraw/zinc/37/07/65/340370765.db2.gz HDFLGIKXNIUYJT-HOTGVXAUSA-N 1 3 317.452 3.860 20 30 DHEDHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512647251 340370766 /nfs/dbraw/zinc/37/07/66/340370766.db2.gz HDFLGIKXNIUYJT-HOTGVXAUSA-N 1 3 317.452 3.860 20 30 DHEDHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512659486 340371646 /nfs/dbraw/zinc/37/16/46/340371646.db2.gz HJPPCVDVOARMDD-CABCVRRESA-N 1 3 305.441 3.858 20 30 DHEDHO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000248403839 341376661 /nfs/dbraw/zinc/37/66/61/341376661.db2.gz PFYIDFYOESMIAI-FCEWJHQRSA-N 1 3 311.473 3.862 20 30 DHEDHO C=CCCCCCN1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001209432698 1013275313 /nfs/dbraw/zinc/27/53/13/1013275313.db2.gz INRWMYROPYHXLC-UHFFFAOYSA-N 1 3 323.569 3.863 20 30 DHEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000267318354 1014793063 /nfs/dbraw/zinc/79/30/63/1014793063.db2.gz YNQHMYIGVHPGGK-LAUBAEHRSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000267318354 1014793086 /nfs/dbraw/zinc/79/30/86/1014793086.db2.gz YNQHMYIGVHPGGK-LAUBAEHRSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412338 1017197928 /nfs/dbraw/zinc/19/79/28/1017197928.db2.gz WSFMMBJNWKWTJN-IERDGZPVSA-N 1 3 319.452 3.655 20 30 DHEDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091412338 1017197937 /nfs/dbraw/zinc/19/79/37/1017197937.db2.gz WSFMMBJNWKWTJN-IERDGZPVSA-N 1 3 319.452 3.655 20 30 DHEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613253 1017572938 /nfs/dbraw/zinc/57/29/38/1017572938.db2.gz JQSHEYRFIGDODN-YLJYHZDGSA-N 1 3 313.489 3.628 20 30 DHEDHO CCN(CC)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000499995227 1020199048 /nfs/dbraw/zinc/19/90/48/1020199048.db2.gz DZTPGFLAGRZMLT-UHFFFAOYSA-N 1 3 313.489 3.712 20 30 DHEDHO C#CCCC[NH2+][C@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000183045118 1021951938 /nfs/dbraw/zinc/95/19/38/1021951938.db2.gz XYBYIHVXMLLOCY-MRXNPFEDSA-N 1 3 302.462 3.601 20 30 DHEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886617318 1025745239 /nfs/dbraw/zinc/74/52/39/1025745239.db2.gz KKXMKEZFBOMKFS-MQBSTWLZSA-N 1 3 323.484 3.711 20 30 DHEDHO C#CCCOc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000236987655 1026009790 /nfs/dbraw/zinc/00/97/90/1026009790.db2.gz WUGYSMSMKHHHEF-IBGZPJMESA-N 1 3 316.489 3.545 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000809623603 1026575390 /nfs/dbraw/zinc/57/53/90/1026575390.db2.gz YLWBCBAGLNQUOM-ICSRJNTNSA-N 1 3 324.493 3.902 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000809623603 1026575394 /nfs/dbraw/zinc/57/53/94/1026575394.db2.gz YLWBCBAGLNQUOM-ICSRJNTNSA-N 1 3 324.493 3.902 20 30 DHEDHO C#Cc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809635246 1026578481 /nfs/dbraw/zinc/57/84/81/1026578481.db2.gz VCXDQTNZSSIPCI-GCJKJVERSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809635246 1026578486 /nfs/dbraw/zinc/57/84/86/1026578486.db2.gz VCXDQTNZSSIPCI-GCJKJVERSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000809635246 1026578492 /nfs/dbraw/zinc/57/84/92/1026578492.db2.gz VCXDQTNZSSIPCI-GCJKJVERSA-N 1 3 318.464 3.668 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000817970095 1029310331 /nfs/dbraw/zinc/31/03/31/1029310331.db2.gz LFJLGCYYZOBKTN-IMJJTQAJSA-N 1 3 308.853 3.738 20 30 DHEDHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929644971 1031566969 /nfs/dbraw/zinc/56/69/69/1031566969.db2.gz YYWQXBRMUCQGCJ-DCCYDQLOSA-N 1 3 317.521 3.903 20 30 DHEDHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929644971 1031566977 /nfs/dbraw/zinc/56/69/77/1031566977.db2.gz YYWQXBRMUCQGCJ-DCCYDQLOSA-N 1 3 317.521 3.903 20 30 DHEDHO C=CCCN(C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193472016 1035639765 /nfs/dbraw/zinc/63/97/65/1035639765.db2.gz BEKRTFFOQXOUBZ-UHFFFAOYSA-N 1 3 300.490 3.839 20 30 DHEDHO C=CCC1([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000668552340 1035978651 /nfs/dbraw/zinc/97/86/51/1035978651.db2.gz JFZLGDUSSZMHFL-PKOBYXMFSA-N 1 3 320.521 3.744 20 30 DHEDHO CCCCCCCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001201826131 1037912639 /nfs/dbraw/zinc/91/26/39/1037912639.db2.gz NRCSHLZVYDXZIL-IBGZPJMESA-N 1 3 310.526 3.922 20 30 DHEDHO CCCCCCCCCCN1CCN(CC[NH+]2CCCC2)CC1 ZINC001201875430 1037926349 /nfs/dbraw/zinc/92/63/49/1037926349.db2.gz ZUBPBKZATFZDBY-UHFFFAOYSA-N 1 3 323.569 3.841 20 30 DHEDHO CC(C)(C#N)c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000598998677 1038979462 /nfs/dbraw/zinc/97/94/62/1038979462.db2.gz UFZHJXBJVHBGPD-LJQANCHMSA-N 1 3 311.473 3.594 20 30 DHEDHO CC(C)(C#N)c1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000598998677 1038979474 /nfs/dbraw/zinc/97/94/74/1038979474.db2.gz UFZHJXBJVHBGPD-LJQANCHMSA-N 1 3 311.473 3.594 20 30 DHEDHO CC(C)(C)N1CCC([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594514725 1039815982 /nfs/dbraw/zinc/81/59/82/1039815982.db2.gz LBHQHYNPXKXGHE-UHFFFAOYSA-N 1 3 311.473 3.790 20 30 DHEDHO C=CCOc1ccc(C[N@@H+](C)C2CCN(CCC)CC2)cc1 ZINC000092165302 332114290 /nfs/dbraw/zinc/11/42/90/332114290.db2.gz JNHJKVMHNQWYLH-UHFFFAOYSA-N 1 3 302.462 3.558 20 30 DHEDHO C=CCOc1ccc(C[N@H+](C)C2CCN(CCC)CC2)cc1 ZINC000092165302 332114291 /nfs/dbraw/zinc/11/42/91/332114291.db2.gz JNHJKVMHNQWYLH-UHFFFAOYSA-N 1 3 302.462 3.558 20 30 DHEDHO N#C[C@@H]1CCC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364032359 333223055 /nfs/dbraw/zinc/22/30/55/333223055.db2.gz YTFGYVJGPFCECP-IEBWSBKVSA-N 1 3 303.494 3.703 20 30 DHEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000364032359 333223057 /nfs/dbraw/zinc/22/30/57/333223057.db2.gz YTFGYVJGPFCECP-IEBWSBKVSA-N 1 3 303.494 3.703 20 30 DHEDHO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)C1 ZINC000292829369 334193057 /nfs/dbraw/zinc/19/30/57/334193057.db2.gz OPUDVVJJCZNXSH-IVAOSVALSA-N 1 3 323.484 3.665 20 30 DHEDHO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)C1 ZINC000292829369 334193058 /nfs/dbraw/zinc/19/30/58/334193058.db2.gz OPUDVVJJCZNXSH-IVAOSVALSA-N 1 3 323.484 3.665 20 30 DHEDHO C=CCOc1ccccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535081619 334366209 /nfs/dbraw/zinc/36/62/09/334366209.db2.gz FCGILDDHVZFJRH-UHFFFAOYSA-N 1 3 316.489 3.804 20 30 DHEDHO C=CCOc1ccccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535081619 334366210 /nfs/dbraw/zinc/36/62/10/334366210.db2.gz FCGILDDHVZFJRH-UHFFFAOYSA-N 1 3 316.489 3.804 20 30 DHEDHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000192918880 336284278 /nfs/dbraw/zinc/28/42/78/336284278.db2.gz BONGQGORFJXYQB-IRXDYDNUSA-N 1 3 315.461 3.504 20 30 DHEDHO CC1CC[NH+](C2CCC(NCc3ccc(C#N)s3)CC2)CC1 ZINC000131072864 520994167 /nfs/dbraw/zinc/99/41/67/520994167.db2.gz YPVWSLGUPNBTNW-UHFFFAOYSA-N 1 3 317.502 3.752 20 30 DHEDHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341826224 1015757084 /nfs/dbraw/zinc/75/70/84/1015757084.db2.gz QJUFHRRTCQVZBR-IBGZPJMESA-N 1 3 311.473 3.788 20 30 DHEDHO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158261546 1016717816 /nfs/dbraw/zinc/71/78/16/1016717816.db2.gz BUBUESLLAFXUQC-CVEARBPZSA-N 1 3 322.880 3.810 20 30 DHEDHO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158261546 1016717835 /nfs/dbraw/zinc/71/78/35/1016717835.db2.gz BUBUESLLAFXUQC-CVEARBPZSA-N 1 3 322.880 3.810 20 30 DHEDHO C[C@H](NCC#CC[NH2+][C@@H](C)c1ccsc1)c1ccsc1 ZINC000671243944 1016739194 /nfs/dbraw/zinc/73/91/94/1016739194.db2.gz PKVRAXGURLONJC-KBPBESRZSA-N 1 3 304.484 3.814 20 30 DHEDHO C=CCOc1ccc(C[NH2+]C2CCN(CCCC)CC2)cc1 ZINC000122962551 1032591084 /nfs/dbraw/zinc/59/10/84/1032591084.db2.gz SWZJZKSXLKQTBD-UHFFFAOYSA-N 1 3 302.462 3.606 20 30 DHEDHO C=CCOc1ccc(C[N@H+](CC)CCCN2CCCC2)cc1 ZINC000515332398 1012604506 /nfs/dbraw/zinc/60/45/06/1012604506.db2.gz DFANMRSJRYHNPE-UHFFFAOYSA-N 1 3 302.462 3.559 20 30 DHEDHO C=CCOc1ccc(C[N@@H+](CC)CCCN2CCCC2)cc1 ZINC000515332398 1012604517 /nfs/dbraw/zinc/60/45/17/1012604517.db2.gz DFANMRSJRYHNPE-UHFFFAOYSA-N 1 3 302.462 3.559 20 30 DHEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708537145 1018842475 /nfs/dbraw/zinc/84/24/75/1018842475.db2.gz IQOCCTRRLIQDCZ-ZHALLVOQSA-N 1 3 313.489 3.672 20 30 DHEDHO C#CCN([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124258 1033025985 /nfs/dbraw/zinc/02/59/85/1033025985.db2.gz KBMDZUKCJCBMJM-RCLSDMTESA-N 1 3 308.469 3.624 20 30 DHEDHO C#CCN([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124258 1033025992 /nfs/dbraw/zinc/02/59/92/1033025992.db2.gz KBMDZUKCJCBMJM-RCLSDMTESA-N 1 3 308.469 3.624 20 30 DHEDHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299207 1033103643 /nfs/dbraw/zinc/10/36/43/1033103643.db2.gz KFJBDZUVTXVFLV-MSOLQXFVSA-N 1 3 321.468 3.586 20 30 DHEDHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299207 1033103650 /nfs/dbraw/zinc/10/36/50/1033103650.db2.gz KFJBDZUVTXVFLV-MSOLQXFVSA-N 1 3 321.468 3.586 20 30 DHEDHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299210 1033104345 /nfs/dbraw/zinc/10/43/45/1033104345.db2.gz KFJBDZUVTXVFLV-ROUUACIJSA-N 1 3 321.468 3.586 20 30 DHEDHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299210 1033104352 /nfs/dbraw/zinc/10/43/52/1033104352.db2.gz KFJBDZUVTXVFLV-ROUUACIJSA-N 1 3 321.468 3.586 20 30 DHEDHO CCCCCCC[C@H](CC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001172346982 1033131478 /nfs/dbraw/zinc/13/14/78/1033131478.db2.gz OKNPGSXUOGJVIX-IBGZPJMESA-N 1 3 311.558 3.741 20 30 DHEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001172491182 1033223667 /nfs/dbraw/zinc/22/36/67/1033223667.db2.gz DYMFEDOOMIQKTJ-HNNXBMFYSA-N 1 3 319.880 3.758 20 30 DHEDHO CC1([NH+]2CCCC2)CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000886525044 1025676760 /nfs/dbraw/zinc/67/67/60/1025676760.db2.gz WFRXUBYAZUGHNG-UHFFFAOYSA-N 1 3 315.436 3.584 20 30 DHEDHO C#Cc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000809603749 1026573661 /nfs/dbraw/zinc/57/36/61/1026573661.db2.gz VFLZBKNLMNMMKL-UHFFFAOYSA-N 1 3 318.464 3.944 20 30 DHEDHO C#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000809625014 1026574895 /nfs/dbraw/zinc/57/48/95/1026574895.db2.gz UASJNZDRNOPUJT-PGRDOPGGSA-N 1 3 318.464 3.811 20 30 DHEDHO C#Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000809625014 1026574901 /nfs/dbraw/zinc/57/49/01/1026574901.db2.gz UASJNZDRNOPUJT-PGRDOPGGSA-N 1 3 318.464 3.811 20 30 DHEDHO C#Cc1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809635248 1026578893 /nfs/dbraw/zinc/57/88/93/1026578893.db2.gz VCXDQTNZSSIPCI-PGRDOPGGSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809635248 1026578899 /nfs/dbraw/zinc/57/88/99/1026578899.db2.gz VCXDQTNZSSIPCI-PGRDOPGGSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000809635248 1026578909 /nfs/dbraw/zinc/57/89/09/1026578909.db2.gz VCXDQTNZSSIPCI-PGRDOPGGSA-N 1 3 318.464 3.668 20 30 DHEDHO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110054 1028557432 /nfs/dbraw/zinc/55/74/32/1028557432.db2.gz WXGIKKBVDQORMY-NRFANRHFSA-N 1 3 319.452 3.512 20 30 DHEDHO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110054 1028557445 /nfs/dbraw/zinc/55/74/45/1028557445.db2.gz WXGIKKBVDQORMY-NRFANRHFSA-N 1 3 319.452 3.512 20 30 DHEDHO C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000926312925 1030694267 /nfs/dbraw/zinc/69/42/67/1030694267.db2.gz CCCSGZIXSAUUFO-VFNWGFHPSA-N 1 3 319.452 3.958 20 30 DHEDHO C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926550069 1030793176 /nfs/dbraw/zinc/79/31/76/1030793176.db2.gz KDFRYUINBQDJEJ-AWEZNQCLSA-N 1 3 311.404 3.610 20 30 DHEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663457 1031512675 /nfs/dbraw/zinc/51/26/75/1031512675.db2.gz JQVNHHANLGFWGK-NSHGMRRFSA-N 1 3 311.473 3.788 20 30 DHEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000360837034 1031580528 /nfs/dbraw/zinc/58/05/28/1031580528.db2.gz OICUXKOSRLMZKX-NRFANRHFSA-N 1 3 323.484 3.932 20 30 DHEDHO CC1(C#N)CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001173592410 1033782556 /nfs/dbraw/zinc/78/25/56/1033782556.db2.gz NSSIBEAUPFJTHQ-PGYGNJIDSA-N 1 3 315.505 3.869 20 30 DHEDHO CC(C)[PH+](CCNC(=O)C(C#N)Cc1cccs1)C(C)C ZINC001177917518 1035398814 /nfs/dbraw/zinc/39/88/14/1035398814.db2.gz IUWKVHVUQJNQEA-CQSZACIVSA-N 1 3 324.430 3.845 20 30 DHEDHO C=CCC1([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000668552339 1035979406 /nfs/dbraw/zinc/97/94/06/1035979406.db2.gz JFZLGDUSSZMHFL-MJGOQNOKSA-N 1 3 320.521 3.744 20 30 DHEDHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929644974 1036197217 /nfs/dbraw/zinc/19/72/17/1036197217.db2.gz YYWQXBRMUCQGCJ-YNIZLOQISA-N 1 3 317.521 3.903 20 30 DHEDHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929644974 1036197226 /nfs/dbraw/zinc/19/72/26/1036197226.db2.gz YYWQXBRMUCQGCJ-YNIZLOQISA-N 1 3 317.521 3.903 20 30 DHEDHO CCCCCCCCCCCN1CCN(CC[NH+](C)C)CC1 ZINC001201630472 1037796016 /nfs/dbraw/zinc/79/60/16/1037796016.db2.gz ADULJZRIHLPGDF-UHFFFAOYSA-N 1 3 311.558 3.696 20 30 DHEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030872 1039362330 /nfs/dbraw/zinc/36/23/30/1039362330.db2.gz PIXCPZRNKNNPON-BBWFWOEESA-N 1 3 317.502 3.503 20 30 DHEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030872 1039362346 /nfs/dbraw/zinc/36/23/46/1039362346.db2.gz PIXCPZRNKNNPON-BBWFWOEESA-N 1 3 317.502 3.503 20 30 DHEDHO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000602665890 1041149318 /nfs/dbraw/zinc/14/93/18/1041149318.db2.gz DLLBEEAFDRREDA-AZUAARDMSA-N 1 3 313.489 3.818 20 30 DHEDHO CC(C)N(C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271054732 334017544 /nfs/dbraw/zinc/01/75/44/334017544.db2.gz CNJJHEXFCCUNII-UHFFFAOYSA-N 1 3 313.489 3.710 20 30 DHEDHO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278501226 334097160 /nfs/dbraw/zinc/09/71/60/334097160.db2.gz AGOOQNDFMMESSV-VQTJNVASSA-N 1 3 311.473 3.523 20 30 DHEDHO C[N@H+](Cc1ccccc1)CC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278501226 334097161 /nfs/dbraw/zinc/09/71/61/334097161.db2.gz AGOOQNDFMMESSV-VQTJNVASSA-N 1 3 311.473 3.523 20 30 DHEDHO CC1CCC(N2CCC([NH2+]CC(C)(C)CCC#N)CC2)CC1 ZINC000371795746 336913357 /nfs/dbraw/zinc/91/33/57/336913357.db2.gz IXJBJCFKLWEGAZ-UHFFFAOYSA-N 1 3 305.510 3.949 20 30 DHEDHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000423013782 337695532 /nfs/dbraw/zinc/69/55/32/337695532.db2.gz GSNFJXHMDZSPIF-HRAATJIYSA-N 1 3 319.452 3.703 20 30 DHEDHO N#C[C@@H]1CC[C@@H](NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000442777205 338430425 /nfs/dbraw/zinc/43/04/25/338430425.db2.gz IMPAUSHYMKZUTA-YLJYHZDGSA-N 1 3 311.473 3.844 20 30 DHEDHO C=CCOc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000506380168 340193634 /nfs/dbraw/zinc/19/36/34/340193634.db2.gz KUKBPFCMBMRLNJ-UHFFFAOYSA-N 1 3 302.462 3.556 20 30 DHEDHO C=CCOc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000506380168 340193635 /nfs/dbraw/zinc/19/36/35/340193635.db2.gz KUKBPFCMBMRLNJ-UHFFFAOYSA-N 1 3 302.462 3.556 20 30 DHEDHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C#N)c(C)c1 ZINC000443973526 1015804138 /nfs/dbraw/zinc/80/41/38/1015804138.db2.gz ZXFOLJJGKYFYSU-UHFFFAOYSA-N 1 3 321.468 3.998 20 30 DHEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000424324909 1011981987 /nfs/dbraw/zinc/98/19/87/1011981987.db2.gz KKEGMVQRNMBLQN-XDWAVFMPSA-N 1 3 323.484 3.569 20 30 DHEDHO C[C@]12CN(CCCCC#N)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705688870 1018672393 /nfs/dbraw/zinc/67/23/93/1018672393.db2.gz XLARCHIEHLIEBP-WOJBJXKFSA-N 1 3 311.473 3.524 20 30 DHEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708537137 1018841305 /nfs/dbraw/zinc/84/13/05/1018841305.db2.gz IQOCCTRRLIQDCZ-SCTDSRPQSA-N 1 3 313.489 3.672 20 30 DHEDHO C=CCOCCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000658204784 1020222680 /nfs/dbraw/zinc/22/26/80/1020222680.db2.gz BLQFFEQSYWXRKX-UHFFFAOYSA-N 1 3 310.526 3.848 20 30 DHEDHO C=CCC[C@H](COc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883173138 1024268148 /nfs/dbraw/zinc/26/81/48/1024268148.db2.gz CSNPYLIDWKVNCB-GUDVDZBRSA-N 1 3 314.473 3.617 20 30 DHEDHO C=CCC[C@H](COc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883173138 1024268155 /nfs/dbraw/zinc/26/81/55/1024268155.db2.gz CSNPYLIDWKVNCB-GUDVDZBRSA-N 1 3 314.473 3.617 20 30 DHEDHO C[C@@H](CCCC#N)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172498119 1033230252 /nfs/dbraw/zinc/23/02/52/1033230252.db2.gz IWRIRDDGFCURKJ-SFHVURJKSA-N 1 3 311.473 3.667 20 30 DHEDHO C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869363 1033249586 /nfs/dbraw/zinc/24/95/86/1033249586.db2.gz ARCSQHHSPYBHFC-QKYXUNIQSA-N 1 3 309.457 3.568 20 30 DHEDHO C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869363 1033249597 /nfs/dbraw/zinc/24/95/97/1033249597.db2.gz ARCSQHHSPYBHFC-QKYXUNIQSA-N 1 3 309.457 3.568 20 30 DHEDHO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([O-])c1 ZINC000178704029 1025853240 /nfs/dbraw/zinc/85/32/40/1025853240.db2.gz IHULKOBVKBISNE-QIRJYLHFSA-N 1 3 317.477 3.530 20 30 DHEDHO N#Cc1ccc(C2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC000933609456 1027772384 /nfs/dbraw/zinc/77/23/84/1027772384.db2.gz ACPSFYDDYNDOCM-UHFFFAOYSA-N 1 3 311.473 3.614 20 30 DHEDHO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000449236518 1028457737 /nfs/dbraw/zinc/45/77/37/1028457737.db2.gz YEVYGAPWQCXIPY-HNXFYBAISA-N 1 3 303.494 3.701 20 30 DHEDHO CC1CCC([NH+]2CCC(N[C@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000373187413 1028970493 /nfs/dbraw/zinc/97/04/93/1028970493.db2.gz MHNGQOZKHZTDLM-YDXUJSMASA-N 1 3 303.494 3.701 20 30 DHEDHO C=CCCC[C@@H](C)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536995495 1031483657 /nfs/dbraw/zinc/48/36/57/1031483657.db2.gz NUSJBBYEABJPOV-KURKYZTESA-N 1 3 308.510 3.552 20 30 DHEDHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831440 1031578632 /nfs/dbraw/zinc/57/86/32/1031578632.db2.gz FIHWXTFNLAHGLT-YLJYHZDGSA-N 1 3 311.473 3.647 20 30 DHEDHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831440 1031578634 /nfs/dbraw/zinc/57/86/34/1031578634.db2.gz FIHWXTFNLAHGLT-YLJYHZDGSA-N 1 3 311.473 3.647 20 30 DHEDHO N#CCC1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001173334288 1033691378 /nfs/dbraw/zinc/69/13/78/1033691378.db2.gz PKPIIROCGUENDT-UHFFFAOYSA-N 1 3 303.494 3.703 20 30 DHEDHO C=CCC1([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000668552338 1035980667 /nfs/dbraw/zinc/98/06/67/1035980667.db2.gz JFZLGDUSSZMHFL-IEBWSBKVSA-N 1 3 320.521 3.744 20 30 DHEDHO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272219325 1036338952 /nfs/dbraw/zinc/33/89/52/1036338952.db2.gz RPYKOEZJIVIXCF-UTKZUKDTSA-N 1 3 319.452 3.558 20 30 DHEDHO Cc1cc(CNCc2ccccc2C[N@@H+](C)C(C)C)ccc1C#N ZINC000443974442 1036958378 /nfs/dbraw/zinc/95/83/78/1036958378.db2.gz UOPUKXVNOCMMMW-UHFFFAOYSA-N 1 3 321.468 3.997 20 30 DHEDHO Cc1cc(CNCc2ccccc2C[N@H+](C)C(C)C)ccc1C#N ZINC000443974442 1036958384 /nfs/dbraw/zinc/95/83/84/1036958384.db2.gz UOPUKXVNOCMMMW-UHFFFAOYSA-N 1 3 321.468 3.997 20 30 DHEDHO CCCCN1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594496336 1039799838 /nfs/dbraw/zinc/79/98/38/1039799838.db2.gz KFFSODGIDNRWMF-UHFFFAOYSA-N 1 3 313.489 3.842 20 30 DHEDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442708812 335035346 /nfs/dbraw/zinc/03/53/46/335035346.db2.gz LPOWHLLZNFPLJF-MBOZVWFJSA-N 1 3 311.473 3.700 20 30 DHEDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442708812 335035347 /nfs/dbraw/zinc/03/53/47/335035347.db2.gz LPOWHLLZNFPLJF-MBOZVWFJSA-N 1 3 311.473 3.700 20 30 DHEDHO C[N@H+](CC1CCN(c2ccncc2)CC1)CC(C)(C)CCC#N ZINC000363877004 333188200 /nfs/dbraw/zinc/18/82/00/333188200.db2.gz UGTILFYRFFKHPO-UHFFFAOYSA-N 1 3 314.477 3.560 20 30 DHEDHO C[N@@H+](CC1CCN(c2ccncc2)CC1)CC(C)(C)CCC#N ZINC000363877004 333188201 /nfs/dbraw/zinc/18/82/01/333188201.db2.gz UGTILFYRFFKHPO-UHFFFAOYSA-N 1 3 314.477 3.560 20 30 DHEDHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(OCC#N)cc1 ZINC000184513788 333197762 /nfs/dbraw/zinc/19/77/62/333197762.db2.gz IQCCVPKIUPSNQU-DLBZAZTESA-N 1 3 315.461 3.504 20 30 DHEDHO C[C@H](CC[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCCCC1 ZINC000184513805 333197847 /nfs/dbraw/zinc/19/78/47/333197847.db2.gz IQCCVPKIUPSNQU-IAGOWNOFSA-N 1 3 315.461 3.504 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2cc(C)c3ncccc3c2)CC1 ZINC000344072417 335215010 /nfs/dbraw/zinc/21/50/10/335215010.db2.gz ONCJAVHLGAMBRD-UHFFFAOYSA-N 1 3 309.457 3.673 20 30 DHEDHO C=CCCC[C@@H](C)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501075599 340073784 /nfs/dbraw/zinc/07/37/84/340073784.db2.gz KBZFIDCKOCYZJS-QGZVFWFLSA-N 1 3 301.478 3.975 20 30 DHEDHO C=CCCC[C@@H](C)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501075599 340073785 /nfs/dbraw/zinc/07/37/85/340073785.db2.gz KBZFIDCKOCYZJS-QGZVFWFLSA-N 1 3 301.478 3.975 20 30 DHEDHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(C#N)cc1 ZINC000248401917 341376625 /nfs/dbraw/zinc/37/66/25/341376625.db2.gz MJHMJZXQVUUCMM-BXWFABGCSA-N 1 3 311.473 3.862 20 30 DHEDHO C#CCCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183045187 1014357088 /nfs/dbraw/zinc/35/70/88/1014357088.db2.gz NREOCMBVYAFHGD-QGZVFWFLSA-N 1 3 314.473 3.745 20 30 DHEDHO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([O-])c1 ZINC000255448184 1016185336 /nfs/dbraw/zinc/18/53/36/1016185336.db2.gz IHULKOBVKBISNE-FATULCLFSA-N 1 3 317.477 3.530 20 30 DHEDHO C=CCSCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716679418 1032701171 /nfs/dbraw/zinc/70/11/71/1032701171.db2.gz DCNZIKFGUHUWCR-FHWLQOOXSA-N 1 3 316.514 3.548 20 30 DHEDHO C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925367866 1017750946 /nfs/dbraw/zinc/75/09/46/1017750946.db2.gz NEIDXBKFMDPDES-MRXNPFEDSA-N 1 3 323.440 3.501 20 30 DHEDHO C=CCC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658168553 1018201102 /nfs/dbraw/zinc/20/11/02/1018201102.db2.gz XOFGLSDPDOIMRF-FQEVSTJZSA-N 1 3 313.489 3.628 20 30 DHEDHO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246277803 1018441656 /nfs/dbraw/zinc/44/16/56/1018441656.db2.gz ARCSQHHSPYBHFC-MOXGXCLJSA-N 1 3 309.457 3.568 20 30 DHEDHO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246277803 1018441662 /nfs/dbraw/zinc/44/16/62/1018441662.db2.gz ARCSQHHSPYBHFC-MOXGXCLJSA-N 1 3 309.457 3.568 20 30 DHEDHO CC(C)CN1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390745 1019466581 /nfs/dbraw/zinc/46/65/81/1019466581.db2.gz RPBQCHULZGIWLH-HXUWFJFHSA-N 1 3 311.473 3.646 20 30 DHEDHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390342 1019473878 /nfs/dbraw/zinc/47/38/78/1019473878.db2.gz UCOCKBLTLKZDTG-UZLBHIALSA-N 1 3 311.473 3.790 20 30 DHEDHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390339 1019474745 /nfs/dbraw/zinc/47/47/45/1019474745.db2.gz UCOCKBLTLKZDTG-JXFKEZNVSA-N 1 3 311.473 3.790 20 30 DHEDHO CCCCCCCCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000740878215 1020960885 /nfs/dbraw/zinc/96/08/85/1020960885.db2.gz UORDOZWLMUAGCY-HXUWFJFHSA-N 1 3 323.569 3.839 20 30 DHEDHO CCCCCCCCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000740878215 1020960891 /nfs/dbraw/zinc/96/08/91/1020960891.db2.gz UORDOZWLMUAGCY-HXUWFJFHSA-N 1 3 323.569 3.839 20 30 DHEDHO Cc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000859214095 1033099822 /nfs/dbraw/zinc/09/98/22/1033099822.db2.gz VPXKELQDWOKRLQ-UHFFFAOYSA-N 1 3 307.441 3.560 20 30 DHEDHO C=CCN(Cc1ccc(OC)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251402 1024033055 /nfs/dbraw/zinc/03/30/55/1024033055.db2.gz BNZHHBMFRMPZHW-UHFFFAOYSA-N 1 3 322.452 3.529 20 30 DHEDHO C=CCC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000883194759 1024281875 /nfs/dbraw/zinc/28/18/75/1024281875.db2.gz CFEKRAWNBUDPHS-PMACEKPBSA-N 1 3 320.521 3.887 20 30 DHEDHO C[C@H](CCCC#N)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001172509946 1033239010 /nfs/dbraw/zinc/23/90/10/1033239010.db2.gz SUFAQCSEJMWZCW-MRXNPFEDSA-N 1 3 317.452 3.804 20 30 DHEDHO C[C@H](CCCC#N)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001172509946 1033239012 /nfs/dbraw/zinc/23/90/12/1033239012.db2.gz SUFAQCSEJMWZCW-MRXNPFEDSA-N 1 3 317.452 3.804 20 30 DHEDHO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@H]([NH+](C)C)C2)c([O-])c1 ZINC000178703995 1025854470 /nfs/dbraw/zinc/85/44/70/1025854470.db2.gz IHULKOBVKBISNE-KPAXAXFTSA-N 1 3 317.477 3.530 20 30 DHEDHO C=CC[NH+]1CCC(N[C@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000357063820 1026302552 /nfs/dbraw/zinc/30/25/52/1026302552.db2.gz BZUIWWYJIQNQCJ-DOMZBBRYSA-N 1 3 308.516 3.914 20 30 DHEDHO C[C@H]1C[C@H](CCNCc2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000513498925 1026527537 /nfs/dbraw/zinc/52/75/37/1026527537.db2.gz CRDFUNNXWOWTEY-WMZOPIPTSA-N 1 3 323.440 3.542 20 30 DHEDHO C[C@H]1C[C@H](CCNCc2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000513498925 1026527542 /nfs/dbraw/zinc/52/75/42/1026527542.db2.gz CRDFUNNXWOWTEY-WMZOPIPTSA-N 1 3 323.440 3.542 20 30 DHEDHO C#Cc1ccc(CNCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000809602815 1026573240 /nfs/dbraw/zinc/57/32/40/1026573240.db2.gz AJTVSPOPHLLPFC-UHFFFAOYSA-N 1 3 306.453 3.800 20 30 DHEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000813878181 1027747234 /nfs/dbraw/zinc/74/72/34/1027747234.db2.gz LEOHQYGGINFWQI-UKRRQHHQSA-N 1 3 310.869 3.666 20 30 DHEDHO C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925926538 1030549288 /nfs/dbraw/zinc/54/92/88/1030549288.db2.gz QOMNYJIPQKSZSA-INIZCTEOSA-N 1 3 319.452 3.960 20 30 DHEDHO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775393869 1038333594 /nfs/dbraw/zinc/33/35/94/1038333594.db2.gz BSAGHQSYJWGYMU-JKSUJKDBSA-N 1 3 302.462 3.906 20 30 DHEDHO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775393859 1038336036 /nfs/dbraw/zinc/33/60/36/1038336036.db2.gz BSAGHQSYJWGYMU-CVEARBPZSA-N 1 3 302.462 3.906 20 30 DHEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)CCC#N)C2)s1 ZINC000572606565 1038475870 /nfs/dbraw/zinc/47/58/70/1038475870.db2.gz XUZHRVWZLLCPKV-GDBMZVCRSA-N 1 3 305.491 3.503 20 30 DHEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)CCC#N)C2)s1 ZINC000572606565 1038475877 /nfs/dbraw/zinc/47/58/77/1038475877.db2.gz XUZHRVWZLLCPKV-GDBMZVCRSA-N 1 3 305.491 3.503 20 30 DHEDHO C[NH+](C)CC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C(C)(C)C ZINC000594513291 1039816078 /nfs/dbraw/zinc/81/60/78/1039816078.db2.gz MUSBSOMRNRRTCC-GOSISDBHSA-N 1 3 315.505 3.944 20 30 DHEDHO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000602665893 1041149869 /nfs/dbraw/zinc/14/98/69/1041149869.db2.gz DLLBEEAFDRREDA-UYAOXDASSA-N 1 3 313.489 3.818 20 30 DHEDHO CC(C)(CC#N)CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602692128 1041154246 /nfs/dbraw/zinc/15/42/46/1041154246.db2.gz UJMCYGGMYVRIKX-MJGOQNOKSA-N 1 3 311.473 3.884 20 30 DHEDHO CC(C)(CC#N)CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602692128 1041154251 /nfs/dbraw/zinc/15/42/51/1041154251.db2.gz UJMCYGGMYVRIKX-MJGOQNOKSA-N 1 3 311.473 3.884 20 30 DHEDHO CCN(Cc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000340592540 132046153 /nfs/dbraw/zinc/04/61/53/132046153.db2.gz AEEYQNQMYLHAHL-UHFFFAOYSA-N 1 3 307.441 3.642 20 30 DHEDHO C[N@@H+]1CC[C@@H](NCc2ccc(CC#N)cc2)C[C@H]1c1ccccc1 ZINC000518532812 332074898 /nfs/dbraw/zinc/07/48/98/332074898.db2.gz DCSCVCTWPNNHOA-RTWAWAEBSA-N 1 3 319.452 3.678 20 30 DHEDHO C[N@H+]1CC[C@@H](NCc2ccc(CC#N)cc2)C[C@H]1c1ccccc1 ZINC000518532812 332074899 /nfs/dbraw/zinc/07/48/99/332074899.db2.gz DCSCVCTWPNNHOA-RTWAWAEBSA-N 1 3 319.452 3.678 20 30 DHEDHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763532 333172049 /nfs/dbraw/zinc/17/20/49/333172049.db2.gz YEHDRVXLEFXEHA-YJBOKZPZSA-N 1 3 317.477 3.606 20 30 DHEDHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763548 333172078 /nfs/dbraw/zinc/17/20/78/333172078.db2.gz YEHDRVXLEFXEHA-QAPCUYQASA-N 1 3 317.477 3.606 20 30 DHEDHO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)C1 ZINC000292829373 334192950 /nfs/dbraw/zinc/19/29/50/334192950.db2.gz OPUDVVJJCZNXSH-MXEMCNAFSA-N 1 3 323.484 3.665 20 30 DHEDHO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)C1 ZINC000292829373 334192951 /nfs/dbraw/zinc/19/29/51/334192951.db2.gz OPUDVVJJCZNXSH-MXEMCNAFSA-N 1 3 323.484 3.665 20 30 DHEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000294955450 334214780 /nfs/dbraw/zinc/21/47/80/334214780.db2.gz DLPCKWGKPXSEKR-JOZSIVFUSA-N 1 3 323.484 3.569 20 30 DHEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423397471 337715358 /nfs/dbraw/zinc/71/53/58/337715358.db2.gz SYFGDLXLOUPFTA-NRFANRHFSA-N 1 3 317.436 3.719 20 30 DHEDHO C=CCCC[C@H](C)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536995497 337860439 /nfs/dbraw/zinc/86/04/39/337860439.db2.gz NUSJBBYEABJPOV-RCCFBDPRSA-N 1 3 308.510 3.552 20 30 DHEDHO N#C[C@H]1CC[C@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000442778084 338430499 /nfs/dbraw/zinc/43/04/99/338430499.db2.gz FLVFCJJUJGBFFN-PMACEKPBSA-N 1 3 311.473 3.844 20 30 DHEDHO C[C@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)C1 ZINC000449445956 338624761 /nfs/dbraw/zinc/62/47/61/338624761.db2.gz MVPJJHXFLUOEDH-PBWTXFEYSA-N 1 3 303.494 3.701 20 30 DHEDHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC(C)(C)CC#N)CC1 ZINC000459660043 339041274 /nfs/dbraw/zinc/04/12/74/339041274.db2.gz AQLRVBJCADWKOB-KRWDZBQOSA-N 1 3 313.489 3.611 20 30 DHEDHO C=CCOc1ccccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000539850305 340906059 /nfs/dbraw/zinc/90/60/59/340906059.db2.gz LRTSURZAVZTOAQ-UHFFFAOYSA-N 1 3 316.489 3.805 20 30 DHEDHO N#Cc1ccc(CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001279144818 1016847410 /nfs/dbraw/zinc/84/74/10/1016847410.db2.gz APNBEYQGEOKQJD-UHFFFAOYSA-N 1 3 323.484 3.789 20 30 DHEDHO N#Cc1ccc(CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC001279144818 1016847420 /nfs/dbraw/zinc/84/74/20/1016847420.db2.gz APNBEYQGEOKQJD-UHFFFAOYSA-N 1 3 323.484 3.789 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000159323907 1019042211 /nfs/dbraw/zinc/04/22/11/1019042211.db2.gz FQXXBPORKJWLSE-HNNXBMFYSA-N 1 3 322.880 3.953 20 30 DHEDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249397 1019075359 /nfs/dbraw/zinc/07/53/59/1019075359.db2.gz IDUNOFBHQLAASM-APWZRJJASA-N 1 3 313.489 3.650 20 30 DHEDHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249397 1019075373 /nfs/dbraw/zinc/07/53/73/1019075373.db2.gz IDUNOFBHQLAASM-APWZRJJASA-N 1 3 313.489 3.650 20 30 DHEDHO CCCCCCCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000740876568 1020958688 /nfs/dbraw/zinc/95/86/88/1020958688.db2.gz UIBFQDQFSOXUFG-BGYRXZFFSA-N 1 3 323.569 3.837 20 30 DHEDHO CCCCCCCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000740876568 1020958690 /nfs/dbraw/zinc/95/86/90/1020958690.db2.gz UIBFQDQFSOXUFG-BGYRXZFFSA-N 1 3 323.569 3.837 20 30 DHEDHO CC(C)(CC#N)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414175305 1020962826 /nfs/dbraw/zinc/96/28/26/1020962826.db2.gz YZMCZMQGDOZUDM-LDLYASANSA-N 1 3 311.473 3.711 20 30 DHEDHO CC(C)(CC#N)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414175305 1020962832 /nfs/dbraw/zinc/96/28/32/1020962832.db2.gz YZMCZMQGDOZUDM-LDLYASANSA-N 1 3 311.473 3.711 20 30 DHEDHO CC(C)(CC#N)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886623930 1025748588 /nfs/dbraw/zinc/74/85/88/1025748588.db2.gz TXCMNQUCFLQKEG-OTWHNJEPSA-N 1 3 311.473 3.569 20 30 DHEDHO CC(C)(CC#N)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886623930 1025748596 /nfs/dbraw/zinc/74/85/96/1025748596.db2.gz TXCMNQUCFLQKEG-OTWHNJEPSA-N 1 3 311.473 3.569 20 30 DHEDHO CC(C)(CC#N)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886623930 1025748610 /nfs/dbraw/zinc/74/86/10/1025748610.db2.gz TXCMNQUCFLQKEG-OTWHNJEPSA-N 1 3 311.473 3.569 20 30 DHEDHO C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886650374 1025763297 /nfs/dbraw/zinc/76/32/97/1025763297.db2.gz VHMQERGFQNNYAW-YOESJJQFSA-N 1 3 322.496 3.821 20 30 DHEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175413 1025808689 /nfs/dbraw/zinc/80/86/89/1025808689.db2.gz MFAPOHDVWMMXBA-VQIMIIECSA-N 1 3 313.489 3.650 20 30 DHEDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175413 1025808711 /nfs/dbraw/zinc/80/87/11/1025808711.db2.gz MFAPOHDVWMMXBA-VQIMIIECSA-N 1 3 313.489 3.650 20 30 DHEDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175410 1025809794 /nfs/dbraw/zinc/80/97/94/1025809794.db2.gz MFAPOHDVWMMXBA-APWZRJJASA-N 1 3 313.489 3.650 20 30 DHEDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175410 1025809815 /nfs/dbraw/zinc/80/98/15/1025809815.db2.gz MFAPOHDVWMMXBA-APWZRJJASA-N 1 3 313.489 3.650 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809610792 1026562553 /nfs/dbraw/zinc/56/25/53/1026562553.db2.gz DYESSMCUBAUSEY-QFIPXVFZSA-N 1 3 318.464 3.670 20 30 DHEDHO C#Cc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809610792 1026562561 /nfs/dbraw/zinc/56/25/61/1026562561.db2.gz DYESSMCUBAUSEY-QFIPXVFZSA-N 1 3 318.464 3.670 20 30 DHEDHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)CN1Cc1ccccc1 ZINC000368649701 1028387328 /nfs/dbraw/zinc/38/73/28/1028387328.db2.gz HYOFVDQLPHHATE-MDNKFWRPSA-N 1 3 311.473 3.569 20 30 DHEDHO N#CCC1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374018902 1029188176 /nfs/dbraw/zinc/18/81/76/1029188176.db2.gz QAMFEMIYOPYMCB-SLFFLAALSA-N 1 3 323.484 3.571 20 30 DHEDHO N#CCC1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374018902 1029188184 /nfs/dbraw/zinc/18/81/84/1029188184.db2.gz QAMFEMIYOPYMCB-SLFFLAALSA-N 1 3 323.484 3.571 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479559527 1033815407 /nfs/dbraw/zinc/81/54/07/1033815407.db2.gz OLPYYASDFIZEAW-UHFFFAOYSA-N 1 3 311.473 3.915 20 30 DHEDHO C=CCC1([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000668552589 1035973721 /nfs/dbraw/zinc/97/37/21/1035973721.db2.gz PFNADVGTJAGREX-IEBWSBKVSA-N 1 3 320.521 3.744 20 30 DHEDHO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272236930 1036530670 /nfs/dbraw/zinc/53/06/70/1036530670.db2.gz VRRAOXBYALIKFR-UTKZUKDTSA-N 1 3 319.452 3.558 20 30 DHEDHO N#Cc1cccc(CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000045806659 1038891361 /nfs/dbraw/zinc/89/13/61/1038891361.db2.gz VWAKCWOVXOSEIZ-UHFFFAOYSA-N 1 3 311.473 3.646 20 30 DHEDHO C[NH+](C)Cc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594914810 1039922892 /nfs/dbraw/zinc/92/28/92/1039922892.db2.gz LPXUOSSWCXKQHF-UHFFFAOYSA-N 1 3 319.452 3.593 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158261672 1040184746 /nfs/dbraw/zinc/18/47/46/1040184746.db2.gz BUBUESLLAFXUQC-JKSUJKDBSA-N 1 3 322.880 3.810 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158261672 1040184756 /nfs/dbraw/zinc/18/47/56/1040184756.db2.gz BUBUESLLAFXUQC-JKSUJKDBSA-N 1 3 322.880 3.810 20 30 DHEDHO C=CCC(C)(C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000559879206 332288964 /nfs/dbraw/zinc/28/89/64/332288964.db2.gz ZQWIHSSNCFQMSC-INIZCTEOSA-N 1 3 304.478 3.880 20 30 DHEDHO C=CCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000560526971 332351460 /nfs/dbraw/zinc/35/14/60/332351460.db2.gz JPXQGRRXIHRPNU-KSZLIROESA-N 1 3 320.477 3.766 20 30 DHEDHO CC[NH+](CC)Cc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000057625726 333397075 /nfs/dbraw/zinc/39/70/75/333397075.db2.gz VNUMVQAHYOXXHY-UHFFFAOYSA-N 1 3 307.441 3.690 20 30 DHEDHO C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278797513 334101253 /nfs/dbraw/zinc/10/12/53/334101253.db2.gz QXPDQFVDIWSTKJ-MTFMMBMASA-N 1 3 311.473 3.569 20 30 DHEDHO C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278797513 334101254 /nfs/dbraw/zinc/10/12/54/334101254.db2.gz QXPDQFVDIWSTKJ-MTFMMBMASA-N 1 3 311.473 3.569 20 30 DHEDHO N#CCC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000297566339 334242383 /nfs/dbraw/zinc/24/23/83/334242383.db2.gz HLRORPLYWGWDAR-HXUWFJFHSA-N 1 3 320.440 3.685 20 30 DHEDHO C[C@H](CCC#N)[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000298704515 334250699 /nfs/dbraw/zinc/25/06/99/334250699.db2.gz TXJFEPRZEYCVET-MISYRCLQSA-N 1 3 311.473 3.665 20 30 DHEDHO C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000298704515 334250700 /nfs/dbraw/zinc/25/07/00/334250700.db2.gz TXJFEPRZEYCVET-MISYRCLQSA-N 1 3 311.473 3.665 20 30 DHEDHO CC(C)CC[NH+]1CCC(CNCc2ccc(C#N)cc2F)CC1 ZINC000532564576 336255624 /nfs/dbraw/zinc/25/56/24/336255624.db2.gz GDPVIPWQCFFMOP-UHFFFAOYSA-N 1 3 317.452 3.545 20 30 DHEDHO C[C@H]1C[C@@H](C[NH2+]CC(C)(C)CCC#N)CN1Cc1ccccc1 ZINC000120175290 337395550 /nfs/dbraw/zinc/39/55/50/337395550.db2.gz TTYWVTJPYSXOLS-HKUYNNGSSA-N 1 3 313.489 3.817 20 30 DHEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000436278596 338265317 /nfs/dbraw/zinc/26/53/17/338265317.db2.gz BACPGWCJWDWZGF-CUDHKJQZSA-N 1 3 320.521 3.600 20 30 DHEDHO C=CCCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000472061036 339361662 /nfs/dbraw/zinc/36/16/62/339361662.db2.gz AQMFHJDOKSOVIB-UHFFFAOYSA-N 1 3 315.505 3.663 20 30 DHEDHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000249293967 341396118 /nfs/dbraw/zinc/39/61/18/341396118.db2.gz BONGQGORFJXYQB-DLBZAZTESA-N 1 3 315.461 3.504 20 30 DHEDHO C[C@@H](CC[NH2+]Cc1cc(C#N)cs1)N(C)Cc1ccccc1 ZINC000177708710 1014020716 /nfs/dbraw/zinc/02/07/16/1014020716.db2.gz GWDQWIUWVZGTCI-HNNXBMFYSA-N 1 3 313.470 3.620 20 30 DHEDHO C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000444674382 1017624479 /nfs/dbraw/zinc/62/44/79/1017624479.db2.gz PBZOBQYMTQEOAO-SJORKVTESA-N 1 3 305.510 3.949 20 30 DHEDHO C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000925367865 1017751510 /nfs/dbraw/zinc/75/15/10/1017751510.db2.gz NEIDXBKFMDPDES-INIZCTEOSA-N 1 3 323.440 3.501 20 30 DHEDHO C=C(C)C[NH+]1CCC(Nc2ccnc3cc(OC)ccc32)CC1 ZINC000765495066 1018815773 /nfs/dbraw/zinc/81/57/73/1018815773.db2.gz OVBJRMZRSRYMFP-UHFFFAOYSA-N 1 3 311.429 3.696 20 30 DHEDHO CC1CCN(CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390371 1019475030 /nfs/dbraw/zinc/47/50/30/1019475030.db2.gz WNVJZPHCMRKLBN-FQEVSTJZSA-N 1 3 311.473 3.647 20 30 DHEDHO C#C[C@](C)(CC)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069239 1032994315 /nfs/dbraw/zinc/99/43/15/1032994315.db2.gz HPNOUIZENAZIGT-PLACYPQZSA-N 1 3 310.485 3.964 20 30 DHEDHO C#C[C@](C)(CC)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069239 1032994320 /nfs/dbraw/zinc/99/43/20/1032994320.db2.gz HPNOUIZENAZIGT-PLACYPQZSA-N 1 3 310.485 3.964 20 30 DHEDHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000423522644 1027581575 /nfs/dbraw/zinc/58/15/75/1027581575.db2.gz VCKZHXSAGZVHJU-LIRRHRJNSA-N 1 3 311.404 3.828 20 30 DHEDHO CC(C)[NH+]1CCC(CCN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000866467431 1030310705 /nfs/dbraw/zinc/31/07/05/1030310705.db2.gz HTEAJLVKKTYSAW-HNNXBMFYSA-N 1 3 317.452 3.858 20 30 DHEDHO C#CCOc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000123631692 1031217585 /nfs/dbraw/zinc/21/75/85/1031217585.db2.gz VUFPTFVBLZIHDC-KRWDZBQOSA-N 1 3 322.452 3.611 20 30 DHEDHO C[C@H](Cc1cccc(C#N)c1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001171179917 1031563129 /nfs/dbraw/zinc/56/31/29/1031563129.db2.gz YWVOJKLZUIXBNX-DYESRHJHSA-N 1 3 321.468 3.772 20 30 DHEDHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271984644 1036829555 /nfs/dbraw/zinc/82/95/55/1036829555.db2.gz ZXYPVLVDGZMUJL-CQSZACIVSA-N 1 3 311.404 3.610 20 30 DHEDHO Cc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)ccc1C#N ZINC000443986627 1036977076 /nfs/dbraw/zinc/97/70/76/1036977076.db2.gz ZYAXXNOLJIPUJB-UHFFFAOYSA-N 1 3 321.468 3.997 20 30 DHEDHO Cc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)ccc1C#N ZINC000443986627 1036977093 /nfs/dbraw/zinc/97/70/93/1036977093.db2.gz ZYAXXNOLJIPUJB-UHFFFAOYSA-N 1 3 321.468 3.997 20 30 DHEDHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000271926066 129981334 /nfs/dbraw/zinc/98/13/34/129981334.db2.gz JCULMAZKTZPOKQ-INIZCTEOSA-N 1 3 317.452 3.860 20 30 DHEDHO C[N@@H+]1CC[C@@H](NCc2ccc(CC#N)cc2)C[C@@H]1c1ccccc1 ZINC000518532811 332074918 /nfs/dbraw/zinc/07/49/18/332074918.db2.gz DCSCVCTWPNNHOA-NHCUHLMSSA-N 1 3 319.452 3.678 20 30 DHEDHO C[N@H+]1CC[C@@H](NCc2ccc(CC#N)cc2)C[C@@H]1c1ccccc1 ZINC000518532811 332074920 /nfs/dbraw/zinc/07/49/20/332074920.db2.gz DCSCVCTWPNNHOA-NHCUHLMSSA-N 1 3 319.452 3.678 20 30 DHEDHO N#C[C@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185762127 333213522 /nfs/dbraw/zinc/21/35/22/333213522.db2.gz GUUQSFCUIYEOEJ-VQTJNVASSA-N 1 3 311.473 3.844 20 30 DHEDHO C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278797515 334101162 /nfs/dbraw/zinc/10/11/62/334101162.db2.gz QXPDQFVDIWSTKJ-OJAHFUOMSA-N 1 3 311.473 3.569 20 30 DHEDHO C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278797515 334101163 /nfs/dbraw/zinc/10/11/63/334101163.db2.gz QXPDQFVDIWSTKJ-OJAHFUOMSA-N 1 3 311.473 3.569 20 30 DHEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000294955457 334214763 /nfs/dbraw/zinc/21/47/63/334214763.db2.gz DLPCKWGKPXSEKR-OFOKGCAXSA-N 1 3 323.484 3.569 20 30 DHEDHO N#CCC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000297566336 334242294 /nfs/dbraw/zinc/24/22/94/334242294.db2.gz HLRORPLYWGWDAR-FQEVSTJZSA-N 1 3 320.440 3.685 20 30 DHEDHO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342808767 334578840 /nfs/dbraw/zinc/57/88/40/334578840.db2.gz QGUIEAULTPBQNX-IRXDYDNUSA-N 1 3 316.489 3.850 20 30 DHEDHO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(OCCN(C)C)cc1 ZINC000348244382 335566897 /nfs/dbraw/zinc/56/68/97/335566897.db2.gz NPTIEGFAZOPIJK-MRXNPFEDSA-N 1 3 317.477 3.608 20 30 DHEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423397472 337715504 /nfs/dbraw/zinc/71/55/04/337715504.db2.gz SYFGDLXLOUPFTA-OAQYLSRUSA-N 1 3 317.436 3.719 20 30 DHEDHO C=C(C)COCCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638757311 1013504411 /nfs/dbraw/zinc/50/44/11/1013504411.db2.gz KNCRIJLQTYOZAP-AZUAARDMSA-N 1 3 314.473 3.537 20 30 DHEDHO C=C(C)COCCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638757311 1013504422 /nfs/dbraw/zinc/50/44/22/1013504422.db2.gz KNCRIJLQTYOZAP-AZUAARDMSA-N 1 3 314.473 3.537 20 30 DHEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000267318350 1014786351 /nfs/dbraw/zinc/78/63/51/1014786351.db2.gz YNQHMYIGVHPGGK-DYESRHJHSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000267318350 1014786362 /nfs/dbraw/zinc/78/63/62/1014786362.db2.gz YNQHMYIGVHPGGK-DYESRHJHSA-N 1 3 319.452 3.558 20 30 DHEDHO C=CCC[C@@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449702132 1018542424 /nfs/dbraw/zinc/54/24/24/1018542424.db2.gz YGGSXJGUTZOWBO-KRWDZBQOSA-N 1 3 310.526 3.582 20 30 DHEDHO CC(C)(CC#N)CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602692124 1024168324 /nfs/dbraw/zinc/16/83/24/1024168324.db2.gz UJMCYGGMYVRIKX-HKUYNNGSSA-N 1 3 311.473 3.884 20 30 DHEDHO CC(C)(CC#N)CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602692124 1024168330 /nfs/dbraw/zinc/16/83/30/1024168330.db2.gz UJMCYGGMYVRIKX-HKUYNNGSSA-N 1 3 311.473 3.884 20 30 DHEDHO N#CC1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000876993937 1033199972 /nfs/dbraw/zinc/19/99/72/1033199972.db2.gz XDIARVDOHZGDQF-UHFFFAOYSA-N 1 3 303.494 3.703 20 30 DHEDHO C=C(C)CN(CC)Cc1cncc(C[N@H+](CC)CC(=C)C)c1 ZINC000566837165 1028789868 /nfs/dbraw/zinc/78/98/68/1028789868.db2.gz BSIFSDBXWPPNSA-UHFFFAOYSA-N 1 3 301.478 3.878 20 30 DHEDHO C=C(C)CN(CC)Cc1cncc(C[N@@H+](CC)CC(=C)C)c1 ZINC000566837165 1028789883 /nfs/dbraw/zinc/78/98/83/1028789883.db2.gz BSIFSDBXWPPNSA-UHFFFAOYSA-N 1 3 301.478 3.878 20 30 DHEDHO N#CCC1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374018903 1029189603 /nfs/dbraw/zinc/18/96/03/1029189603.db2.gz QAMFEMIYOPYMCB-VAMGGRTRSA-N 1 3 323.484 3.571 20 30 DHEDHO N#CCC1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374018903 1029189608 /nfs/dbraw/zinc/18/96/08/1029189608.db2.gz QAMFEMIYOPYMCB-VAMGGRTRSA-N 1 3 323.484 3.571 20 30 DHEDHO N#CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248404365 1030743691 /nfs/dbraw/zinc/74/36/91/1030743691.db2.gz QCXCIBGJEMDRGT-HSALFYBXSA-N 1 3 311.473 3.571 20 30 DHEDHO CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782294 1031608378 /nfs/dbraw/zinc/60/83/78/1031608378.db2.gz UNMABGOPHVHQFK-CXAGYDPISA-N 1 3 305.853 3.516 20 30 DHEDHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782294 1031608385 /nfs/dbraw/zinc/60/83/85/1031608385.db2.gz UNMABGOPHVHQFK-CXAGYDPISA-N 1 3 305.853 3.516 20 30 DHEDHO C=CCOC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC001173316357 1033710833 /nfs/dbraw/zinc/71/08/33/1033710833.db2.gz HQWJHPLNXURWHE-UHFFFAOYSA-N 1 3 320.521 3.887 20 30 DHEDHO CCCCCCCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001201826133 1037910519 /nfs/dbraw/zinc/91/05/19/1037910519.db2.gz NRCSHLZVYDXZIL-LJQANCHMSA-N 1 3 310.526 3.922 20 30 DHEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030874 1039359806 /nfs/dbraw/zinc/35/98/06/1039359806.db2.gz PIXCPZRNKNNPON-GVDBMIGSSA-N 1 3 317.502 3.503 20 30 DHEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030874 1039359821 /nfs/dbraw/zinc/35/98/21/1039359821.db2.gz PIXCPZRNKNNPON-GVDBMIGSSA-N 1 3 317.502 3.503 20 30 DHEDHO C=C(C)C[NH+]1CCC(NC/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285637055 335023840 /nfs/dbraw/zinc/02/38/40/335023840.db2.gz ALIDXLVPLNSQQP-ONEGZZNKSA-N 1 3 306.400 3.608 20 30 DHEDHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C#N)cc1 ZINC000057626445 184042501 /nfs/dbraw/zinc/04/25/01/184042501.db2.gz DVELCBHLKFDJIT-UHFFFAOYSA-N 1 3 307.441 3.690 20 30 DHEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(C)(C)C#N ZINC000276205124 334075155 /nfs/dbraw/zinc/07/51/55/334075155.db2.gz JWOXCQONDCRMOT-DZFIZOCASA-N 1 3 313.489 3.672 20 30 DHEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(C)(C)C#N ZINC000276205124 334075156 /nfs/dbraw/zinc/07/51/56/334075156.db2.gz JWOXCQONDCRMOT-DZFIZOCASA-N 1 3 313.489 3.672 20 30 DHEDHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000192918866 336284334 /nfs/dbraw/zinc/28/43/34/336284334.db2.gz BONGQGORFJXYQB-SJORKVTESA-N 1 3 315.461 3.504 20 30 DHEDHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000193023318 336287112 /nfs/dbraw/zinc/28/71/12/336287112.db2.gz ULTBUXXHSMSGSP-MRXNPFEDSA-N 1 3 315.461 3.504 20 30 DHEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423473831 337721443 /nfs/dbraw/zinc/72/14/43/337721443.db2.gz OJSZWZVUBHDAGS-IIHSZXCVSA-N 1 3 304.453 3.709 20 30 DHEDHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCC(C)(C)CC#N)CC1 ZINC000459660046 339041323 /nfs/dbraw/zinc/04/13/23/339041323.db2.gz AQLRVBJCADWKOB-QGZVFWFLSA-N 1 3 313.489 3.611 20 30 DHEDHO N#C[C@H]1CCC[C@H](NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000463283658 339113247 /nfs/dbraw/zinc/11/32/47/339113247.db2.gz OAGVHEWRFGIPDU-ROUUACIJSA-N 1 3 303.494 3.847 20 30 DHEDHO C=CCOc1cccc(CN2CCC(C[NH+](CC)CC)CC2)c1 ZINC000506852005 340202869 /nfs/dbraw/zinc/20/28/69/340202869.db2.gz SOTMPAFPXSFHQF-UHFFFAOYSA-N 1 3 316.489 3.805 20 30 DHEDHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000512646767 340370833 /nfs/dbraw/zinc/37/08/33/340370833.db2.gz CZEZLJROUFOVPB-INIZCTEOSA-N 1 3 317.452 3.860 20 30 DHEDHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000340472476 1018698095 /nfs/dbraw/zinc/69/80/95/1018698095.db2.gz CFUUZVPFNMWUDE-HNNXBMFYSA-N 1 3 303.425 3.614 20 30 DHEDHO C=CCC[C@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166201 1020200392 /nfs/dbraw/zinc/20/03/92/1020200392.db2.gz MZOOUMDWLFJCSB-IBGZPJMESA-N 1 3 301.478 3.628 20 30 DHEDHO CC[N@H+](C)Cc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921686483 1020444912 /nfs/dbraw/zinc/44/49/12/1020444912.db2.gz KPZYGXDAOINNHI-UHFFFAOYSA-N 1 3 321.468 3.917 20 30 DHEDHO CC[N@@H+](C)Cc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921686483 1020444918 /nfs/dbraw/zinc/44/49/18/1020444918.db2.gz KPZYGXDAOINNHI-UHFFFAOYSA-N 1 3 321.468 3.917 20 30 DHEDHO CCCCCCCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000740876575 1020958876 /nfs/dbraw/zinc/95/88/76/1020958876.db2.gz UIBFQDQFSOXUFG-PMACEKPBSA-N 1 3 323.569 3.837 20 30 DHEDHO Cc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1C#N ZINC000926967024 1032988063 /nfs/dbraw/zinc/98/80/63/1032988063.db2.gz ZMFSZHGWDMOXDE-INIZCTEOSA-N 1 3 307.441 3.779 20 30 DHEDHO C[C@@H](CCCC#N)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001172509945 1033238460 /nfs/dbraw/zinc/23/84/60/1033238460.db2.gz SUFAQCSEJMWZCW-INIZCTEOSA-N 1 3 317.452 3.804 20 30 DHEDHO C[C@@H](CCCC#N)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001172509945 1033238467 /nfs/dbraw/zinc/23/84/67/1033238467.db2.gz SUFAQCSEJMWZCW-INIZCTEOSA-N 1 3 317.452 3.804 20 30 DHEDHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353426020 1025061581 /nfs/dbraw/zinc/06/15/81/1025061581.db2.gz LLTCIICYVRJLIP-OAQYLSRUSA-N 1 3 319.452 3.787 20 30 DHEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353426020 1025061596 /nfs/dbraw/zinc/06/15/96/1025061596.db2.gz LLTCIICYVRJLIP-OAQYLSRUSA-N 1 3 319.452 3.787 20 30 DHEDHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353426019 1025063092 /nfs/dbraw/zinc/06/30/92/1025063092.db2.gz LLTCIICYVRJLIP-NRFANRHFSA-N 1 3 319.452 3.787 20 30 DHEDHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353426019 1025063097 /nfs/dbraw/zinc/06/30/97/1025063097.db2.gz LLTCIICYVRJLIP-NRFANRHFSA-N 1 3 319.452 3.787 20 30 DHEDHO C[C@H]1C[C@@H](CCNCc2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000513498922 1026527406 /nfs/dbraw/zinc/52/74/06/1026527406.db2.gz CRDFUNNXWOWTEY-FUHWJXTLSA-N 1 3 323.440 3.542 20 30 DHEDHO C[C@H]1C[C@@H](CCNCc2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000513498922 1026527409 /nfs/dbraw/zinc/52/74/09/1026527409.db2.gz CRDFUNNXWOWTEY-FUHWJXTLSA-N 1 3 323.440 3.542 20 30 DHEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138774 1028002630 /nfs/dbraw/zinc/00/26/30/1028002630.db2.gz YDPAGBOAGVCSRX-IEBWSBKVSA-N 1 3 313.489 3.674 20 30 DHEDHO C[C@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)C1 ZINC000449445953 1028648705 /nfs/dbraw/zinc/64/87/05/1028648705.db2.gz MVPJJHXFLUOEDH-CAMMJAKZSA-N 1 3 303.494 3.701 20 30 DHEDHO C=CCN(Cc1ccc(OC)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568401599 1029060600 /nfs/dbraw/zinc/06/06/00/1029060600.db2.gz XUFWANDRGXMWHJ-UHFFFAOYSA-N 1 3 322.452 3.529 20 30 DHEDHO CC(C)CCN1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000926318485 1030695439 /nfs/dbraw/zinc/69/54/39/1030695439.db2.gz ZBEQZYXPUDOWJF-FQEVSTJZSA-N 1 3 311.473 3.646 20 30 DHEDHO N#CCC1(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000926345075 1030703756 /nfs/dbraw/zinc/70/37/56/1030703756.db2.gz NNTAEKWYJIDDMI-IHWFROFDSA-N 1 3 323.484 3.856 20 30 DHEDHO N#CCC1(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000926345075 1030703768 /nfs/dbraw/zinc/70/37/68/1030703768.db2.gz NNTAEKWYJIDDMI-IHWFROFDSA-N 1 3 323.484 3.856 20 30 DHEDHO CC[C@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000360838093 1031584714 /nfs/dbraw/zinc/58/47/14/1031584714.db2.gz SSSWRVZZEFZVJM-UYAOXDASSA-N 1 3 311.473 3.790 20 30 DHEDHO CCC(CC)N1CCC([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194781 1031646677 /nfs/dbraw/zinc/64/66/77/1031646677.db2.gz MCPYFWJBXKHEDE-MRXNPFEDSA-N 1 3 313.489 3.732 20 30 DHEDHO CCC(CC)[NH+]1CCC(N[C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194781 1031646686 /nfs/dbraw/zinc/64/66/86/1031646686.db2.gz MCPYFWJBXKHEDE-MRXNPFEDSA-N 1 3 313.489 3.732 20 30 DHEDHO C=CCOC1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001173317895 1033712570 /nfs/dbraw/zinc/71/25/70/1033712570.db2.gz LIOBBRYWCQTNKL-UHFFFAOYSA-N 1 3 308.510 3.741 20 30 DHEDHO C#C[C@H]1CC[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC001183651644 1036641727 /nfs/dbraw/zinc/64/17/27/1036641727.db2.gz HPNSAJWWJNVWBV-MLYOOKFZSA-N 1 3 302.506 3.811 20 30 DHEDHO C#C[C@H]1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC001183651646 1036642134 /nfs/dbraw/zinc/64/21/34/1036642134.db2.gz HPNSAJWWJNVWBV-SOAMZJECSA-N 1 3 302.506 3.811 20 30 DHEDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442708813 335035126 /nfs/dbraw/zinc/03/51/26/335035126.db2.gz LPOWHLLZNFPLJF-UWVAXJGDSA-N 1 3 311.473 3.700 20 30 DHEDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442708813 335035128 /nfs/dbraw/zinc/03/51/28/335035128.db2.gz LPOWHLLZNFPLJF-UWVAXJGDSA-N 1 3 311.473 3.700 20 30 DHEDHO CC(C)(CCC#N)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000174324568 333085081 /nfs/dbraw/zinc/08/50/81/333085081.db2.gz OXKCOMSBPYKMQJ-UHFFFAOYSA-N 1 3 319.518 3.880 20 30 DHEDHO C=CCOc1cccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000535082870 334366641 /nfs/dbraw/zinc/36/66/41/334366641.db2.gz OMCNYJBRSOXRHD-UHFFFAOYSA-N 1 3 316.489 3.804 20 30 DHEDHO C=CCOc1cccc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000535082870 334366643 /nfs/dbraw/zinc/36/66/43/334366643.db2.gz OMCNYJBRSOXRHD-UHFFFAOYSA-N 1 3 316.489 3.804 20 30 DHEDHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000367035190 335589188 /nfs/dbraw/zinc/58/91/88/335589188.db2.gz IHKOTBJQZFPZQY-KMEYYKJISA-N 1 3 317.521 3.949 20 30 DHEDHO N#Cc1cccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121604668 336968456 /nfs/dbraw/zinc/96/84/56/336968456.db2.gz JFBZFLFXXCUECY-UHFFFAOYSA-N 1 3 311.473 3.646 20 30 DHEDHO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000119950864 337395237 /nfs/dbraw/zinc/39/52/37/337395237.db2.gz HQAPHFRLUOJHRS-QGZVFWFLSA-N 1 3 319.452 3.873 20 30 DHEDHO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423468982 337721095 /nfs/dbraw/zinc/72/10/95/337721095.db2.gz KCTIMULPGRQOJM-QXAKKESOSA-N 1 3 304.453 3.853 20 30 DHEDHO C=C(C)CN(C)Cc1cc(C[N@H+](C)CC(=C)C)cc(OC)c1 ZINC000432853888 338170827 /nfs/dbraw/zinc/17/08/27/338170827.db2.gz LJNNHYPFVUHYOT-UHFFFAOYSA-N 1 3 302.462 3.711 20 30 DHEDHO C=C(C)CN(C)Cc1cc(C[N@@H+](C)CC(=C)C)cc(OC)c1 ZINC000432853888 338170828 /nfs/dbraw/zinc/17/08/28/338170828.db2.gz LJNNHYPFVUHYOT-UHFFFAOYSA-N 1 3 302.462 3.711 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472062781 339361753 /nfs/dbraw/zinc/36/17/53/339361753.db2.gz LNHCUVYCQJQBSS-UHFFFAOYSA-N 1 3 311.473 3.915 20 30 DHEDHO C=CCOc1ccccc1CN1CCC(C[NH+](CC)CC)CC1 ZINC000506863455 340202954 /nfs/dbraw/zinc/20/29/54/340202954.db2.gz WOSFXWVHJIGUQT-UHFFFAOYSA-N 1 3 316.489 3.805 20 30 DHEDHO C=C(CNC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000303220474 340314002 /nfs/dbraw/zinc/31/40/02/340314002.db2.gz SUBYOVUKAJJBOL-UHFFFAOYSA-N 1 3 306.453 3.954 20 30 DHEDHO CC[NH+](CC)CCCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000542945035 341026947 /nfs/dbraw/zinc/02/69/47/341026947.db2.gz KVOBTNUARQIATF-UHFFFAOYSA-N 1 3 313.489 3.892 20 30 DHEDHO CC1CC[NH+](C2CCC(NCc3cc(C#N)cs3)CC2)CC1 ZINC000131086320 341058511 /nfs/dbraw/zinc/05/85/11/341058511.db2.gz ZLCUSWCZRMCPOY-UHFFFAOYSA-N 1 3 317.502 3.752 20 30 DHEDHO C=CCOc1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000134209426 341209539 /nfs/dbraw/zinc/20/95/39/341209539.db2.gz NFBMHNGMQTUNCG-UHFFFAOYSA-N 1 3 314.473 3.559 20 30 DHEDHO C#CCCC[NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000183045136 1014357341 /nfs/dbraw/zinc/35/73/41/1014357341.db2.gz XYBYIHVXMLLOCY-INIZCTEOSA-N 1 3 302.462 3.601 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158261395 1016718422 /nfs/dbraw/zinc/71/84/22/1016718422.db2.gz BUBUESLLAFXUQC-HOTGVXAUSA-N 1 3 322.880 3.810 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158261395 1016718437 /nfs/dbraw/zinc/71/84/37/1016718437.db2.gz BUBUESLLAFXUQC-HOTGVXAUSA-N 1 3 322.880 3.810 20 30 DHEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000424324903 1011982015 /nfs/dbraw/zinc/98/20/15/1011982015.db2.gz KKEGMVQRNMBLQN-CRSSMBPESA-N 1 3 323.484 3.569 20 30 DHEDHO N#CCC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000517085991 1012903198 /nfs/dbraw/zinc/90/31/98/1012903198.db2.gz YCMLUZIMYZRHJI-UHFFFAOYSA-N 1 3 311.473 3.798 20 30 DHEDHO C[C@@]12CN(CCCCC#N)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705688868 1018672833 /nfs/dbraw/zinc/67/28/33/1018672833.db2.gz XLARCHIEHLIEBP-PMACEKPBSA-N 1 3 311.473 3.524 20 30 DHEDHO C#CCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000781424820 1021366442 /nfs/dbraw/zinc/36/64/42/1021366442.db2.gz ZBGLORPSDIVFRH-PCCBWWKXSA-N 1 3 310.485 3.680 20 30 DHEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001172298498 1033103522 /nfs/dbraw/zinc/10/35/22/1033103522.db2.gz XPRQKGYKRSHMMV-HNNXBMFYSA-N 1 3 313.489 3.730 20 30 DHEDHO N#CCC1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453210397 1024403558 /nfs/dbraw/zinc/40/35/58/1024403558.db2.gz JLUTZBVWNCRFRX-AQNXPRMDSA-N 1 3 323.484 3.713 20 30 DHEDHO N#CCC1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453210397 1024403566 /nfs/dbraw/zinc/40/35/66/1024403566.db2.gz JLUTZBVWNCRFRX-AQNXPRMDSA-N 1 3 323.484 3.713 20 30 DHEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175412 1025810253 /nfs/dbraw/zinc/81/02/53/1025810253.db2.gz MFAPOHDVWMMXBA-QFBILLFUSA-N 1 3 313.489 3.650 20 30 DHEDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175412 1025810268 /nfs/dbraw/zinc/81/02/68/1025810268.db2.gz MFAPOHDVWMMXBA-QFBILLFUSA-N 1 3 313.489 3.650 20 30 DHEDHO C#Cc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000809609485 1026563245 /nfs/dbraw/zinc/56/32/45/1026563245.db2.gz FFDWUWQVSAQRKV-UHFFFAOYSA-N 1 3 306.453 3.798 20 30 DHEDHO C#Cc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000809609485 1026563254 /nfs/dbraw/zinc/56/32/54/1026563254.db2.gz FFDWUWQVSAQRKV-UHFFFAOYSA-N 1 3 306.453 3.798 20 30 DHEDHO C[N@@H+]1CCCC[C@H]1CCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614652 1027777264 /nfs/dbraw/zinc/77/72/64/1027777264.db2.gz UTFVRKPWNLCLHW-FQEVSTJZSA-N 1 3 311.473 3.612 20 30 DHEDHO C[N@H+]1CCCC[C@H]1CCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614652 1027777283 /nfs/dbraw/zinc/77/72/83/1027777283.db2.gz UTFVRKPWNLCLHW-FQEVSTJZSA-N 1 3 311.473 3.612 20 30 DHEDHO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000449236520 1028457642 /nfs/dbraw/zinc/45/76/42/1028457642.db2.gz YEVYGAPWQCXIPY-XNYRCJLNSA-N 1 3 303.494 3.701 20 30 DHEDHO CC1CCC([NH+]2CCC(N[C@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000373187411 1028970680 /nfs/dbraw/zinc/97/06/80/1028970680.db2.gz MHNGQOZKHZTDLM-TXLGJMDYSA-N 1 3 303.494 3.701 20 30 DHEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(C#N)cc2F)C1 ZINC000533448777 1030357896 /nfs/dbraw/zinc/35/78/96/1030357896.db2.gz HUEGBMGRVOLEQW-IYBDPMFKSA-N 1 3 317.452 3.545 20 30 DHEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(C#N)cc2F)C1 ZINC000533448777 1030357917 /nfs/dbraw/zinc/35/79/17/1030357917.db2.gz HUEGBMGRVOLEQW-IYBDPMFKSA-N 1 3 317.452 3.545 20 30 DHEDHO C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000926312918 1030693898 /nfs/dbraw/zinc/69/38/98/1030693898.db2.gz CCCSGZIXSAUUFO-BTYIYWSLSA-N 1 3 319.452 3.958 20 30 DHEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663456 1031510870 /nfs/dbraw/zinc/51/08/70/1031510870.db2.gz JQVNHHANLGFWGK-NLWGTHIKSA-N 1 3 311.473 3.788 20 30 DHEDHO CC[NH+](CC)CCCC1CCN(CC#Cc2ccccc2)CC1 ZINC000483711436 1035293903 /nfs/dbraw/zinc/29/39/03/1035293903.db2.gz PAEZSPLJMLNKJM-UHFFFAOYSA-N 1 3 312.501 3.872 20 30 DHEDHO C#CCCN[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001176641216 1035304842 /nfs/dbraw/zinc/30/48/42/1035304842.db2.gz QQFJZVGVZWWQQA-FCHUYYIVSA-N 1 3 318.464 3.658 20 30 DHEDHO C#CCCN[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001176641216 1035304847 /nfs/dbraw/zinc/30/48/47/1035304847.db2.gz QQFJZVGVZWWQQA-FCHUYYIVSA-N 1 3 318.464 3.658 20 30 DHEDHO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272236931 1036529572 /nfs/dbraw/zinc/52/95/72/1036529572.db2.gz VRRAOXBYALIKFR-UWJYYQICSA-N 1 3 319.452 3.558 20 30 DHEDHO C#C[C@H]1CC[C@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC001183651642 1036642628 /nfs/dbraw/zinc/64/26/28/1036642628.db2.gz HPNSAJWWJNVWBV-JPLJXNOCSA-N 1 3 302.506 3.811 20 30 DHEDHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)CCC#N)C2)s1 ZINC000572606568 1038475495 /nfs/dbraw/zinc/47/54/95/1038475495.db2.gz XUZHRVWZLLCPKV-ZBFHGGJFSA-N 1 3 305.491 3.503 20 30 DHEDHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)CCC#N)C2)s1 ZINC000572606568 1038475500 /nfs/dbraw/zinc/47/55/00/1038475500.db2.gz XUZHRVWZLLCPKV-ZBFHGGJFSA-N 1 3 305.491 3.503 20 30 DHEDHO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000591582571 1038939652 /nfs/dbraw/zinc/93/96/52/1038939652.db2.gz LQSQBCQICDUKEU-IOJLRTSASA-N 1 3 323.484 3.655 20 30 DHEDHO C[NH+](C)Cc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594493982 1039795752 /nfs/dbraw/zinc/79/57/52/1039795752.db2.gz CXKZEDIXYRZYTN-UHFFFAOYSA-N 1 3 321.468 3.839 20 30 DHEDHO CC[NH+](CC)Cc1ccccc1CNCc1cccc(C#N)c1 ZINC000057626522 184042772 /nfs/dbraw/zinc/04/27/72/184042772.db2.gz WHETYZMDMRUFLG-UHFFFAOYSA-N 1 3 307.441 3.690 20 30 DHEDHO C=C(C)C[NH+]1CCC(N[C@@H]2CCSc3ccccc32)CC1 ZINC000152969503 332331911 /nfs/dbraw/zinc/33/19/11/332331911.db2.gz HFFXAWYZIOVHHJ-QGZVFWFLSA-N 1 3 302.487 3.854 20 30 DHEDHO C=CCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000560526972 332351385 /nfs/dbraw/zinc/35/13/85/332351385.db2.gz JPXQGRRXIHRPNU-KURKYZTESA-N 1 3 320.477 3.766 20 30 DHEDHO N#CCCCC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000183137809 333183167 /nfs/dbraw/zinc/18/31/67/333183167.db2.gz QCXCIBGJEMDRGT-ZCNNSNEGSA-N 1 3 311.473 3.571 20 30 DHEDHO N#C[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000192783780 333292616 /nfs/dbraw/zinc/29/26/16/333292616.db2.gz HBLBNXLSQSWQAS-IRXDYDNUSA-N 1 3 317.502 3.632 20 30 DHEDHO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278501228 334096986 /nfs/dbraw/zinc/09/69/86/334096986.db2.gz AGOOQNDFMMESSV-WOJBJXKFSA-N 1 3 311.473 3.523 20 30 DHEDHO C[N@H+](Cc1ccccc1)CC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278501228 334096988 /nfs/dbraw/zinc/09/69/88/334096988.db2.gz AGOOQNDFMMESSV-WOJBJXKFSA-N 1 3 311.473 3.523 20 30 DHEDHO CC[N@H+](Cc1ccc(CN(C)C)cc1)CC(C)(C)CCC#N ZINC000289469046 334165549 /nfs/dbraw/zinc/16/55/49/334165549.db2.gz PGVPPAPINVEWOV-UHFFFAOYSA-N 1 3 301.478 3.900 20 30 DHEDHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)CC(C)(C)CCC#N ZINC000289469046 334165550 /nfs/dbraw/zinc/16/55/50/334165550.db2.gz PGVPPAPINVEWOV-UHFFFAOYSA-N 1 3 301.478 3.900 20 30 DHEDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772057 341356897 /nfs/dbraw/zinc/35/68/97/341356897.db2.gz IDUNOFBHQLAASM-LPHOPBHVSA-N 1 3 313.489 3.650 20 30 DHEDHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772057 341356898 /nfs/dbraw/zinc/35/68/98/341356898.db2.gz IDUNOFBHQLAASM-LPHOPBHVSA-N 1 3 313.489 3.650 20 30 DHEDHO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@H]([NH+](C)C)C2)c([O-])c1 ZINC000255448187 1016185567 /nfs/dbraw/zinc/18/55/67/1016185567.db2.gz IHULKOBVKBISNE-JAGHSJQASA-N 1 3 317.477 3.530 20 30 DHEDHO C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)CN1CCCCC1 ZINC000611390997 1019473518 /nfs/dbraw/zinc/47/35/18/1019473518.db2.gz LXVKWXMBNZOEBZ-UZLBHIALSA-N 1 3 311.473 3.647 20 30 DHEDHO N#Cc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000180039190 1020725564 /nfs/dbraw/zinc/72/55/64/1020725564.db2.gz OWPGXCWBRDVMON-UHFFFAOYSA-N 1 3 317.502 3.708 20 30 DHEDHO C[C@H](CCCC#N)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172498115 1033228773 /nfs/dbraw/zinc/22/87/73/1033228773.db2.gz IWRIRDDGFCURKJ-GOSISDBHSA-N 1 3 311.473 3.667 20 30 DHEDHO N#CCCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353669506 1025193372 /nfs/dbraw/zinc/19/33/72/1025193372.db2.gz CPLVAENJDRGJSF-SLFFLAALSA-N 1 3 311.473 3.571 20 30 DHEDHO N#CCCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353669506 1025193376 /nfs/dbraw/zinc/19/33/76/1025193376.db2.gz CPLVAENJDRGJSF-SLFFLAALSA-N 1 3 311.473 3.571 20 30 DHEDHO C#CCCOc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000236984607 1025981921 /nfs/dbraw/zinc/98/19/21/1025981921.db2.gz WUGYSMSMKHHHEF-LJQANCHMSA-N 1 3 316.489 3.545 20 30 DHEDHO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000089513118 1026052808 /nfs/dbraw/zinc/05/28/08/1026052808.db2.gz MVZXBYDFJWDCOX-INIZCTEOSA-N 1 3 314.473 3.612 20 30 DHEDHO N#Cc1ccccc1CSCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422987453 1027388327 /nfs/dbraw/zinc/38/83/27/1027388327.db2.gz IKIRWEYGKGWQQQ-RTBURBONSA-N 1 3 323.465 3.526 20 30 DHEDHO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000449236517 1028457125 /nfs/dbraw/zinc/45/71/25/1028457125.db2.gz YEVYGAPWQCXIPY-AAILRHKWSA-N 1 3 303.494 3.701 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000818614961 1029419377 /nfs/dbraw/zinc/41/93/77/1029419377.db2.gz JYGNASFAPOGGRM-IAOVAPTHSA-N 1 3 308.853 3.738 20 30 DHEDHO C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000822526299 1030046715 /nfs/dbraw/zinc/04/67/15/1030046715.db2.gz SEABQIDFRRGJPB-INIZCTEOSA-N 1 3 307.441 3.813 20 30 DHEDHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929644973 1031565139 /nfs/dbraw/zinc/56/51/39/1031565139.db2.gz YYWQXBRMUCQGCJ-OAHAVBBTSA-N 1 3 317.521 3.903 20 30 DHEDHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929644973 1031565159 /nfs/dbraw/zinc/56/51/59/1031565159.db2.gz YYWQXBRMUCQGCJ-OAHAVBBTSA-N 1 3 317.521 3.903 20 30 DHEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)CCC#N)C2)s1 ZINC000572606566 1038475402 /nfs/dbraw/zinc/47/54/02/1038475402.db2.gz XUZHRVWZLLCPKV-GOEBONIOSA-N 1 3 305.491 3.503 20 30 DHEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)CCC#N)C2)s1 ZINC000572606566 1038475408 /nfs/dbraw/zinc/47/54/08/1038475408.db2.gz XUZHRVWZLLCPKV-GOEBONIOSA-N 1 3 305.491 3.503 20 30 DHEDHO CC(C)(C#N)c1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000594525103 1039831174 /nfs/dbraw/zinc/83/11/74/1039831174.db2.gz RKTFTBFNNSOIGU-UHFFFAOYSA-N 1 3 311.473 3.594 20 30 DHEDHO C[N@@H+]1CC[C@H](NCc2ccc(CC#N)cc2)C[C@H]1c1ccccc1 ZINC000518532813 332074833 /nfs/dbraw/zinc/07/48/33/332074833.db2.gz DCSCVCTWPNNHOA-SFTDATJTSA-N 1 3 319.452 3.678 20 30 DHEDHO C[N@H+]1CC[C@H](NCc2ccc(CC#N)cc2)C[C@H]1c1ccccc1 ZINC000518532813 332074834 /nfs/dbraw/zinc/07/48/34/332074834.db2.gz DCSCVCTWPNNHOA-SFTDATJTSA-N 1 3 319.452 3.678 20 30 DHEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000152986103 332332352 /nfs/dbraw/zinc/33/23/52/332332352.db2.gz NJBXKARPVFLARW-AWEZNQCLSA-N 1 3 324.415 3.979 20 30 DHEDHO C[C@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCCCC1 ZINC000184513768 333197830 /nfs/dbraw/zinc/19/78/30/333197830.db2.gz IQCCVPKIUPSNQU-SJORKVTESA-N 1 3 315.461 3.504 20 30 DHEDHO C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278797510 334101279 /nfs/dbraw/zinc/10/12/79/334101279.db2.gz QXPDQFVDIWSTKJ-IJXRJRJASA-N 1 3 311.473 3.569 20 30 DHEDHO C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278797510 334101280 /nfs/dbraw/zinc/10/12/80/334101280.db2.gz QXPDQFVDIWSTKJ-IJXRJRJASA-N 1 3 311.473 3.569 20 30 DHEDHO N#C[C@@H]1CC[C@H](NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000442777204 338430482 /nfs/dbraw/zinc/43/04/82/338430482.db2.gz IMPAUSHYMKZUTA-XLIONFOSSA-N 1 3 311.473 3.844 20 30 DHEDHO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000248401918 341376586 /nfs/dbraw/zinc/37/65/86/341376586.db2.gz MJHMJZXQVUUCMM-FCEWJHQRSA-N 1 3 311.473 3.862 20 30 DHEDHO C[C@H](CC[NH2+]Cc1ccc(C#N)s1)N(C)Cc1ccccc1 ZINC000176981024 1013693776 /nfs/dbraw/zinc/69/37/76/1013693776.db2.gz DOJJKIMNRWMOLA-OAHLLOKOSA-N 1 3 313.470 3.620 20 30 DHEDHO N#CC1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000367042806 1014856748 /nfs/dbraw/zinc/85/67/48/1014856748.db2.gz KRINDWWUQZQELV-UHFFFAOYSA-N 1 3 303.494 3.703 20 30 DHEDHO C=CCOc1cccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000516993168 1012882566 /nfs/dbraw/zinc/88/25/66/1012882566.db2.gz PJQALVCSNVXJMR-SFHVURJKSA-N 1 3 304.478 3.707 20 30 DHEDHO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246277785 1018442250 /nfs/dbraw/zinc/44/22/50/1018442250.db2.gz ARCSQHHSPYBHFC-BPAFIMBUSA-N 1 3 309.457 3.568 20 30 DHEDHO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246277785 1018442255 /nfs/dbraw/zinc/44/22/55/1018442255.db2.gz ARCSQHHSPYBHFC-BPAFIMBUSA-N 1 3 309.457 3.568 20 30 DHEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(C#N)c1 ZINC000370096625 1019663058 /nfs/dbraw/zinc/66/30/58/1019663058.db2.gz FRLWBDHOGSKRGH-DYESRHJHSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(C#N)c1 ZINC000370096625 1019663070 /nfs/dbraw/zinc/66/30/70/1019663070.db2.gz FRLWBDHOGSKRGH-DYESRHJHSA-N 1 3 319.452 3.558 20 30 DHEDHO C=CC[NH+]1CCC(N[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000177910546 1020595102 /nfs/dbraw/zinc/59/51/02/1020595102.db2.gz CSKDFERTEPAKBX-MRXNPFEDSA-N 1 3 306.450 3.603 20 30 DHEDHO C#C[C@@](C)(CC)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069228 1032994641 /nfs/dbraw/zinc/99/46/41/1032994641.db2.gz HPNOUIZENAZIGT-BURNTYAHSA-N 1 3 310.485 3.964 20 30 DHEDHO C#C[C@@](C)(CC)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069228 1032994648 /nfs/dbraw/zinc/99/46/48/1032994648.db2.gz HPNOUIZENAZIGT-BURNTYAHSA-N 1 3 310.485 3.964 20 30 DHEDHO C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169108658 1022267793 /nfs/dbraw/zinc/26/77/93/1022267793.db2.gz USJNNBJGAXGHDQ-NXOAAHMSSA-N 1 3 300.446 3.527 20 30 DHEDHO N#Cc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000925663815 1023023070 /nfs/dbraw/zinc/02/30/70/1023023070.db2.gz AANVZVNYZTWYLJ-GOSISDBHSA-N 1 3 313.832 3.781 20 30 DHEDHO C=CCC[C@H](COc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883173141 1024267759 /nfs/dbraw/zinc/26/77/59/1024267759.db2.gz CSNPYLIDWKVNCB-QRVBRYPASA-N 1 3 314.473 3.617 20 30 DHEDHO C=CCC[C@H](COc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883173141 1024267772 /nfs/dbraw/zinc/26/77/72/1024267772.db2.gz CSNPYLIDWKVNCB-QRVBRYPASA-N 1 3 314.473 3.617 20 30 DHEDHO CC[C@H](C)CON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000793146009 1024914601 /nfs/dbraw/zinc/91/46/01/1024914601.db2.gz NVXFJOPXGYXZIB-INIZCTEOSA-N 1 3 317.477 3.614 20 30 DHEDHO CCC1([NH+]2CCCC2)CCN(CC2CCC(C#N)CC2)CC1 ZINC000931466217 1027134140 /nfs/dbraw/zinc/13/41/40/1027134140.db2.gz VNTNIPRHMHAWAO-UHFFFAOYSA-N 1 3 303.494 3.657 20 30 DHEDHO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000574946538 1027443154 /nfs/dbraw/zinc/44/31/54/1027443154.db2.gz LNKFFGKJXFNRRR-VAMGGRTRSA-N 1 3 311.473 3.571 20 30 DHEDHO N#C[C@@H]1CC[C@@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000574946538 1027443163 /nfs/dbraw/zinc/44/31/63/1027443163.db2.gz LNKFFGKJXFNRRR-VAMGGRTRSA-N 1 3 311.473 3.571 20 30 DHEDHO N#C[C@@H]1CC[C@@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574946538 1027443169 /nfs/dbraw/zinc/44/31/69/1027443169.db2.gz LNKFFGKJXFNRRR-VAMGGRTRSA-N 1 3 311.473 3.571 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000817970094 1029312372 /nfs/dbraw/zinc/31/23/72/1029312372.db2.gz LFJLGCYYZOBKTN-CWRNSKLLSA-N 1 3 308.853 3.738 20 30 DHEDHO C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926550084 1030795266 /nfs/dbraw/zinc/79/52/66/1030795266.db2.gz KDFRYUINBQDJEJ-CQSZACIVSA-N 1 3 311.404 3.610 20 30 DHEDHO C[C@H](CN[C@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000360836333 1031581613 /nfs/dbraw/zinc/58/16/13/1031581613.db2.gz MHBXJJMSXOCNRG-UZLBHIALSA-N 1 3 311.473 3.647 20 30 DHEDHO CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782295 1031609288 /nfs/dbraw/zinc/60/92/88/1031609288.db2.gz UNMABGOPHVHQFK-DYVFJYSZSA-N 1 3 305.853 3.516 20 30 DHEDHO CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782295 1031609296 /nfs/dbraw/zinc/60/92/96/1031609296.db2.gz UNMABGOPHVHQFK-DYVFJYSZSA-N 1 3 305.853 3.516 20 30 DHEDHO N#Cc1cc(CN2C3CCC2CC3)cc(C[NH+]2C3CCC2CC3)c1 ZINC000877951288 1033528449 /nfs/dbraw/zinc/52/84/49/1033528449.db2.gz LCUQKPZPHCMTIP-UHFFFAOYSA-N 1 3 321.468 3.812 20 30 DHEDHO C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272219321 1036295381 /nfs/dbraw/zinc/29/53/81/1036295381.db2.gz RPYKOEZJIVIXCF-LAUBAEHRSA-N 1 3 319.452 3.558 20 30 DHEDHO CN(c1ccccc1C=NOC1CCCC1)C1CC[NH+](C)CC1 ZINC000774602259 1036546520 /nfs/dbraw/zinc/54/65/20/1036546520.db2.gz GWPOHXZZMLNPDV-UHFFFAOYSA-N 1 3 315.461 3.510 20 30 DHEDHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000443960171 1036913526 /nfs/dbraw/zinc/91/35/26/1036913526.db2.gz CITQQYOOOHDPFY-UHFFFAOYSA-N 1 3 307.441 3.608 20 30 DHEDHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000443960171 1036913537 /nfs/dbraw/zinc/91/35/37/1036913537.db2.gz CITQQYOOOHDPFY-UHFFFAOYSA-N 1 3 307.441 3.608 20 30 DHEDHO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775393863 1038333675 /nfs/dbraw/zinc/33/36/75/1038333675.db2.gz BSAGHQSYJWGYMU-HOTGVXAUSA-N 1 3 302.462 3.906 20 30 DHEDHO C=CCC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000560526970 332351515 /nfs/dbraw/zinc/35/15/15/332351515.db2.gz JPXQGRRXIHRPNU-FGTMMUONSA-N 1 3 320.477 3.766 20 30 DHEDHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763584 333172100 /nfs/dbraw/zinc/17/21/00/333172100.db2.gz YEHDRVXLEFXEHA-CRAIPNDOSA-N 1 3 317.477 3.606 20 30 DHEDHO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000414528986 334008101 /nfs/dbraw/zinc/00/81/01/334008101.db2.gz BTJWLINFXJJXAB-HXUWFJFHSA-N 1 3 321.468 3.827 20 30 DHEDHO C=CCOc1cccc(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415064502 334262527 /nfs/dbraw/zinc/26/25/27/334262527.db2.gz KVBUXIGUJWLQKN-HXUWFJFHSA-N 1 3 310.441 3.821 20 30 DHEDHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000512659489 340371557 /nfs/dbraw/zinc/37/15/57/340371557.db2.gz HJPPCVDVOARMDD-LSDHHAIUSA-N 1 3 305.441 3.858 20 30 DHEDHO C=CCOc1cccc(CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000539851501 340906379 /nfs/dbraw/zinc/90/63/79/340906379.db2.gz YSMJULVDUHTXFG-UHFFFAOYSA-N 1 3 316.489 3.805 20 30 DHEDHO C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000444674380 1017625666 /nfs/dbraw/zinc/62/56/66/1017625666.db2.gz PBZOBQYMTQEOAO-IAGOWNOFSA-N 1 3 305.510 3.949 20 30 DHEDHO C=CCOc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000523862960 1017812768 /nfs/dbraw/zinc/81/27/68/1017812768.db2.gz FBRVBGOJKWIPDP-GOSISDBHSA-N 1 3 304.478 3.707 20 30 DHEDHO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246277818 1018443106 /nfs/dbraw/zinc/44/31/06/1018443106.db2.gz ARCSQHHSPYBHFC-ZTNFWEORSA-N 1 3 309.457 3.568 20 30 DHEDHO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246277818 1018443112 /nfs/dbraw/zinc/44/31/12/1018443112.db2.gz ARCSQHHSPYBHFC-ZTNFWEORSA-N 1 3 309.457 3.568 20 30 DHEDHO C[NH+]1C(C)(C)CC(NC(=N)c2ccc3ccccc3n2)CC1(C)C ZINC001171624296 1032808280 /nfs/dbraw/zinc/80/82/80/1032808280.db2.gz OLHNPEXTQXFOKA-UHFFFAOYSA-N 1 3 324.472 3.592 20 30 DHEDHO C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)CN1CCCCC1 ZINC000611390993 1019474044 /nfs/dbraw/zinc/47/40/44/1019474044.db2.gz LXVKWXMBNZOEBZ-OXJNMPFZSA-N 1 3 311.473 3.647 20 30 DHEDHO CC[NH+](CC)Cc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000069716238 1020013465 /nfs/dbraw/zinc/01/34/65/1020013465.db2.gz QILVQTMJZUITQE-UHFFFAOYSA-N 1 3 307.441 3.690 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2ccc(CSC)cc2)CC1 ZINC000921702162 1020528877 /nfs/dbraw/zinc/52/88/77/1020528877.db2.gz HOUYOAIWLAWWKC-UHFFFAOYSA-N 1 3 304.503 3.680 20 30 DHEDHO C#C[C@@](C)(CC)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069242 1032997341 /nfs/dbraw/zinc/99/73/41/1032997341.db2.gz HPNOUIZENAZIGT-WOZUAGRISA-N 1 3 310.485 3.964 20 30 DHEDHO C#C[C@@](C)(CC)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069242 1032997347 /nfs/dbraw/zinc/99/73/47/1032997347.db2.gz HPNOUIZENAZIGT-WOZUAGRISA-N 1 3 310.485 3.964 20 30 DHEDHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172299209 1033104213 /nfs/dbraw/zinc/10/42/13/1033104213.db2.gz KFJBDZUVTXVFLV-QZTJIDSGSA-N 1 3 321.468 3.586 20 30 DHEDHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172299209 1033104220 /nfs/dbraw/zinc/10/42/20/1033104220.db2.gz KFJBDZUVTXVFLV-QZTJIDSGSA-N 1 3 321.468 3.586 20 30 DHEDHO C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001172480659 1033192791 /nfs/dbraw/zinc/19/27/91/1033192791.db2.gz WNFWSRSCVIWHDY-GSEOLPGOSA-N 1 3 311.473 3.569 20 30 DHEDHO CC1([NH+]2CCCCC2)CCN(CC2CCC(C#N)CC2)CC1 ZINC000931612561 1027188105 /nfs/dbraw/zinc/18/81/05/1027188105.db2.gz QRRTXOOWPSYYQW-UHFFFAOYSA-N 1 3 303.494 3.657 20 30 DHEDHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614653 1027775829 /nfs/dbraw/zinc/77/58/29/1027775829.db2.gz UTFVRKPWNLCLHW-HXUWFJFHSA-N 1 3 311.473 3.612 20 30 DHEDHO C[N@H+]1CCCC[C@@H]1CCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614653 1027775849 /nfs/dbraw/zinc/77/58/49/1027775849.db2.gz UTFVRKPWNLCLHW-HXUWFJFHSA-N 1 3 311.473 3.612 20 30 DHEDHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)CN1Cc1ccccc1 ZINC000368649700 1028389359 /nfs/dbraw/zinc/38/93/59/1028389359.db2.gz HYOFVDQLPHHATE-GSEOLPGOSA-N 1 3 311.473 3.569 20 30 DHEDHO N#CC1(CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000411397539 1029122409 /nfs/dbraw/zinc/12/24/09/1029122409.db2.gz HUSBFWYJLAVMQO-MJGOQNOKSA-N 1 3 315.505 3.799 20 30 DHEDHO N#CC1(CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000411397539 1029122418 /nfs/dbraw/zinc/12/24/18/1029122418.db2.gz HUSBFWYJLAVMQO-MJGOQNOKSA-N 1 3 315.505 3.799 20 30 DHEDHO C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000926312926 1030694489 /nfs/dbraw/zinc/69/44/89/1030694489.db2.gz CCCSGZIXSAUUFO-YCRPNKLZSA-N 1 3 319.452 3.958 20 30 DHEDHO C#Cc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000825226569 1030751611 /nfs/dbraw/zinc/75/16/11/1030751611.db2.gz KFNVKTUXVWVDAR-GCJKJVERSA-N 1 3 318.464 3.668 20 30 DHEDHO C=CCC1([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000668552590 1035973528 /nfs/dbraw/zinc/97/35/28/1035973528.db2.gz PFNADVGTJAGREX-MJGOQNOKSA-N 1 3 320.521 3.744 20 30 DHEDHO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000591582568 1038939478 /nfs/dbraw/zinc/93/94/78/1038939478.db2.gz LQSQBCQICDUKEU-GPJFCIFZSA-N 1 3 323.484 3.655 20 30 DHEDHO CC[N@H+](CCCN1CCCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607462 1039870403 /nfs/dbraw/zinc/87/04/03/1039870403.db2.gz VOLLOTNKJIRMEY-UHFFFAOYSA-N 1 3 313.489 3.796 20 30 DHEDHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607462 1039870410 /nfs/dbraw/zinc/87/04/10/1039870410.db2.gz VOLLOTNKJIRMEY-UHFFFAOYSA-N 1 3 313.489 3.796 20 30 DHEDHO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000192783765 333292776 /nfs/dbraw/zinc/29/27/76/333292776.db2.gz HBLBNXLSQSWQAS-DLBZAZTESA-N 1 3 317.502 3.632 20 30 DHEDHO C=CCOc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415063939 334262293 /nfs/dbraw/zinc/26/22/93/334262293.db2.gz JGQHLNBCDBFJHH-HXUWFJFHSA-N 1 3 310.441 3.821 20 30 DHEDHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000181917724 525426698 /nfs/dbraw/zinc/42/66/98/525426698.db2.gz NHDJFFSBVFIIDP-MRXNPFEDSA-N 1 3 320.440 3.520 20 30 DHEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000341703958 1015685061 /nfs/dbraw/zinc/68/50/61/1015685061.db2.gz CYMSQYAEIBULIE-OAQYLSRUSA-N 1 3 323.484 3.932 20 30 DHEDHO C[C@H](CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)N1CCCCC1 ZINC000612422580 1032230056 /nfs/dbraw/zinc/23/00/56/1032230056.db2.gz ANJDAHAGRYCATJ-OXQOHEQNSA-N 1 3 311.473 3.790 20 30 DHEDHO C=CC[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613251 1017575435 /nfs/dbraw/zinc/57/54/35/1017575435.db2.gz JQSHEYRFIGDODN-PXNSSMCTSA-N 1 3 313.489 3.628 20 30 DHEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000370096628 1019663296 /nfs/dbraw/zinc/66/32/96/1019663296.db2.gz FRLWBDHOGSKRGH-UWJYYQICSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000370096628 1019663301 /nfs/dbraw/zinc/66/33/01/1019663301.db2.gz FRLWBDHOGSKRGH-UWJYYQICSA-N 1 3 319.452 3.558 20 30 DHEDHO CC(C)(CC#N)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414175306 1020963045 /nfs/dbraw/zinc/96/30/45/1020963045.db2.gz YZMCZMQGDOZUDM-REPLKXPHSA-N 1 3 311.473 3.711 20 30 DHEDHO CC(C)(CC#N)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414175306 1020963048 /nfs/dbraw/zinc/96/30/48/1020963048.db2.gz YZMCZMQGDOZUDM-REPLKXPHSA-N 1 3 311.473 3.711 20 30 DHEDHO N#Cc1ccccc1-c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566807169 1023234691 /nfs/dbraw/zinc/23/46/91/1023234691.db2.gz FZVZDMMJLIILCR-RTBURBONSA-N 1 3 305.425 3.585 20 30 DHEDHO C#Cc1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000809631874 1026578826 /nfs/dbraw/zinc/57/88/26/1026578826.db2.gz DZXANLDETAAZOZ-UHFFFAOYSA-N 1 3 306.453 3.798 20 30 DHEDHO C#Cc1ccc(CNCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000809631874 1026578817 /nfs/dbraw/zinc/57/88/17/1026578817.db2.gz DZXANLDETAAZOZ-UHFFFAOYSA-N 1 3 306.453 3.798 20 30 DHEDHO C#Cc1ccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809635250 1026579709 /nfs/dbraw/zinc/57/97/09/1026579709.db2.gz VCXDQTNZSSIPCI-XMSQKQJNSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809635250 1026579713 /nfs/dbraw/zinc/57/97/13/1026579713.db2.gz VCXDQTNZSSIPCI-XMSQKQJNSA-N 1 3 318.464 3.668 20 30 DHEDHO C#Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000809635250 1026579719 /nfs/dbraw/zinc/57/97/19/1026579719.db2.gz VCXDQTNZSSIPCI-XMSQKQJNSA-N 1 3 318.464 3.668 20 30 DHEDHO C=CCOc1cccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809737772 1026611357 /nfs/dbraw/zinc/61/13/57/1026611357.db2.gz KMJLTXONNXQHCI-UHFFFAOYSA-N 1 3 324.468 3.945 20 30 DHEDHO Cc1cc(CN(C)Cc2ccc(C[NH+](C)C)cc2)ccc1C#N ZINC000809738929 1026611715 /nfs/dbraw/zinc/61/17/15/1026611715.db2.gz PSQFMPDYXCTZIZ-UHFFFAOYSA-N 1 3 307.441 3.560 20 30 DHEDHO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000574946535 1027443524 /nfs/dbraw/zinc/44/35/24/1027443524.db2.gz LNKFFGKJXFNRRR-AABGKKOBSA-N 1 3 311.473 3.571 20 30 DHEDHO N#C[C@@H]1CC[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000574946535 1027443530 /nfs/dbraw/zinc/44/35/30/1027443530.db2.gz LNKFFGKJXFNRRR-AABGKKOBSA-N 1 3 311.473 3.571 20 30 DHEDHO N#C[C@@H]1CC[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574946535 1027443534 /nfs/dbraw/zinc/44/35/34/1027443534.db2.gz LNKFFGKJXFNRRR-AABGKKOBSA-N 1 3 311.473 3.571 20 30 DHEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423193720 1027453636 /nfs/dbraw/zinc/45/36/36/1027453636.db2.gz WAQXWPMMBRXXHM-CRAIPNDOSA-N 1 3 309.457 3.687 20 30 DHEDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138773 1028003196 /nfs/dbraw/zinc/00/31/96/1028003196.db2.gz YDPAGBOAGVCSRX-HKUYNNGSSA-N 1 3 313.489 3.674 20 30 DHEDHO N#CC1(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000411397535 1029123258 /nfs/dbraw/zinc/12/32/58/1029123258.db2.gz HUSBFWYJLAVMQO-HKUYNNGSSA-N 1 3 315.505 3.799 20 30 DHEDHO N#CC1(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000411397535 1029123262 /nfs/dbraw/zinc/12/32/62/1029123262.db2.gz HUSBFWYJLAVMQO-HKUYNNGSSA-N 1 3 315.505 3.799 20 30 DHEDHO C#CCOc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000817963528 1029301948 /nfs/dbraw/zinc/30/19/48/1029301948.db2.gz TXFDKZOZBPSLOG-HOTGVXAUSA-N 1 3 308.425 3.569 20 30 DHEDHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831437 1031578600 /nfs/dbraw/zinc/57/86/00/1031578600.db2.gz FIHWXTFNLAHGLT-FXAWDEMLSA-N 1 3 311.473 3.647 20 30 DHEDHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831437 1031578608 /nfs/dbraw/zinc/57/86/08/1031578608.db2.gz FIHWXTFNLAHGLT-FXAWDEMLSA-N 1 3 311.473 3.647 20 30 DHEDHO C[C@@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000360836328 1031581950 /nfs/dbraw/zinc/58/19/50/1031581950.db2.gz MHBXJJMSXOCNRG-OXJNMPFZSA-N 1 3 311.473 3.647 20 30 DHEDHO N=C(Nc1ccc(C2([NH3+])CC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171183923 1031593563 /nfs/dbraw/zinc/59/35/63/1031593563.db2.gz BSFLDXSIAXFRLX-UHFFFAOYSA-N 1 3 317.392 3.530 20 30 DHEDHO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272219316 1036334169 /nfs/dbraw/zinc/33/41/69/1036334169.db2.gz RPYKOEZJIVIXCF-DYESRHJHSA-N 1 3 319.452 3.558 20 30 DHEDHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271984642 1036830874 /nfs/dbraw/zinc/83/08/74/1036830874.db2.gz ZXYPVLVDGZMUJL-AWEZNQCLSA-N 1 3 311.404 3.610 20 30 DHEDHO CC(C)(C#N)c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000598998676 1038980538 /nfs/dbraw/zinc/98/05/38/1038980538.db2.gz UFZHJXBJVHBGPD-IBGZPJMESA-N 1 3 311.473 3.594 20 30 DHEDHO CC(C)(C#N)c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000598998676 1038980546 /nfs/dbraw/zinc/98/05/46/1038980546.db2.gz UFZHJXBJVHBGPD-IBGZPJMESA-N 1 3 311.473 3.594 20 30 DHEDHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071867 1039028763 /nfs/dbraw/zinc/02/87/63/1039028763.db2.gz UZCDRHCYSZNURH-FXAWDEMLSA-N 1 3 311.473 3.647 20 30 DHEDHO C=CCC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccco1 ZINC000560526966 332351445 /nfs/dbraw/zinc/35/14/45/332351445.db2.gz JPXQGRRXIHRPNU-BZSNNMDCSA-N 1 3 320.477 3.766 20 30 DHEDHO N#CCCCC[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000183137832 333183206 /nfs/dbraw/zinc/18/32/06/333183206.db2.gz QCXCIBGJEMDRGT-AQNXPRMDSA-N 1 3 311.473 3.571 20 30 DHEDHO N#C[C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000185827030 333214791 /nfs/dbraw/zinc/21/47/91/333214791.db2.gz GGMIWYUZHYEQEB-SPYJTGKRSA-N 1 3 323.484 3.854 20 30 DHEDHO N#C[C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000185827030 333214792 /nfs/dbraw/zinc/21/47/92/333214792.db2.gz GGMIWYUZHYEQEB-SPYJTGKRSA-N 1 3 323.484 3.854 20 30 DHEDHO CCCCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182568146 337189028 /nfs/dbraw/zinc/18/90/28/337189028.db2.gz CAIZZAJUKKCKSU-YOFSQIOKSA-N 1 3 321.553 3.590 20 30 DHEDHO CCCCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182568146 337189029 /nfs/dbraw/zinc/18/90/29/337189029.db2.gz CAIZZAJUKKCKSU-YOFSQIOKSA-N 1 3 321.553 3.590 20 30 DHEDHO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000119950729 337395227 /nfs/dbraw/zinc/39/52/27/337395227.db2.gz HQAPHFRLUOJHRS-KRWDZBQOSA-N 1 3 319.452 3.873 20 30 DHEDHO C[C@H]1C[C@H](C[NH2+]CC(C)(C)CCC#N)CN1Cc1ccccc1 ZINC000120174969 337395459 /nfs/dbraw/zinc/39/54/59/337395459.db2.gz TTYWVTJPYSXOLS-PKOBYXMFSA-N 1 3 313.489 3.817 20 30 DHEDHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000423013785 337695665 /nfs/dbraw/zinc/69/56/65/337695665.db2.gz GSNFJXHMDZSPIF-KKSFZXQISA-N 1 3 319.452 3.703 20 30 DHEDHO C=CCOc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134182883 341208782 /nfs/dbraw/zinc/20/87/82/341208782.db2.gz FKFUQHUMDTWAPM-UHFFFAOYSA-N 1 3 314.473 3.559 20 30 DHEDHO CC1CC[NH+](C[C@@H]2CCCN(CC(C)(C)CCC#N)C2)CC1 ZINC000092587881 1032504581 /nfs/dbraw/zinc/50/45/81/1032504581.db2.gz MVPGMPBMKWDVST-SFHVURJKSA-N 1 3 305.510 3.760 20 30 DHEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000424324911 1011982812 /nfs/dbraw/zinc/98/28/12/1011982812.db2.gz KKEGMVQRNMBLQN-YMQHIKHWSA-N 1 3 323.484 3.569 20 30 DHEDHO Cc1cc(C#N)ccc1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212429 1033100484 /nfs/dbraw/zinc/10/04/84/1033100484.db2.gz JRCCLBAXEZBYRR-UHFFFAOYSA-N 1 3 307.441 3.560 20 30 DHEDHO N#CCCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353669507 1025191298 /nfs/dbraw/zinc/19/12/98/1025191298.db2.gz CPLVAENJDRGJSF-VAMGGRTRSA-N 1 3 311.473 3.571 20 30 DHEDHO N#CCCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353669507 1025191304 /nfs/dbraw/zinc/19/13/04/1025191304.db2.gz CPLVAENJDRGJSF-VAMGGRTRSA-N 1 3 311.473 3.571 20 30 DHEDHO N#CCCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353669505 1025192069 /nfs/dbraw/zinc/19/20/69/1025192069.db2.gz CPLVAENJDRGJSF-HSALFYBXSA-N 1 3 311.473 3.571 20 30 DHEDHO N#CCCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353669505 1025192077 /nfs/dbraw/zinc/19/20/77/1025192077.db2.gz CPLVAENJDRGJSF-HSALFYBXSA-N 1 3 311.473 3.571 20 30 DHEDHO C[C@]1(CNCc2cccc(C#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000397904712 1026280156 /nfs/dbraw/zinc/28/01/56/1026280156.db2.gz DGAXEZCLWANTSU-OAQYLSRUSA-N 1 3 319.452 3.703 20 30 DHEDHO C[C@]1(CNCc2cccc(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000397904712 1026280165 /nfs/dbraw/zinc/28/01/65/1026280165.db2.gz DGAXEZCLWANTSU-OAQYLSRUSA-N 1 3 319.452 3.703 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809610791 1026562925 /nfs/dbraw/zinc/56/29/25/1026562925.db2.gz DYESSMCUBAUSEY-JOCHJYFZSA-N 1 3 318.464 3.670 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809610791 1026562932 /nfs/dbraw/zinc/56/29/32/1026562932.db2.gz DYESSMCUBAUSEY-JOCHJYFZSA-N 1 3 318.464 3.670 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000809611282 1026563358 /nfs/dbraw/zinc/56/33/58/1026563358.db2.gz YFFHOCINHMOAJD-LJQANCHMSA-N 1 3 324.493 3.731 20 30 DHEDHO C#Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000809611282 1026563363 /nfs/dbraw/zinc/56/33/63/1026563363.db2.gz YFFHOCINHMOAJD-LJQANCHMSA-N 1 3 324.493 3.731 20 30 DHEDHO N#Cc1ccccc1CSCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422987451 1027385141 /nfs/dbraw/zinc/38/51/41/1027385141.db2.gz IKIRWEYGKGWQQQ-OALUTQOASA-N 1 3 323.465 3.526 20 30 DHEDHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000423013784 1027389010 /nfs/dbraw/zinc/38/90/10/1027389010.db2.gz GSNFJXHMDZSPIF-IIBYNOLFSA-N 1 3 319.452 3.703 20 30 DHEDHO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000574946536 1027442758 /nfs/dbraw/zinc/44/27/58/1027442758.db2.gz LNKFFGKJXFNRRR-AQNXPRMDSA-N 1 3 311.473 3.571 20 30 DHEDHO N#C[C@@H]1CC[C@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000574946536 1027442769 /nfs/dbraw/zinc/44/27/69/1027442769.db2.gz LNKFFGKJXFNRRR-AQNXPRMDSA-N 1 3 311.473 3.571 20 30 DHEDHO N#C[C@@H]1CC[C@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574946536 1027442774 /nfs/dbraw/zinc/44/27/74/1027442774.db2.gz LNKFFGKJXFNRRR-AQNXPRMDSA-N 1 3 311.473 3.571 20 30 DHEDHO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423193722 1027451719 /nfs/dbraw/zinc/45/17/19/1027451719.db2.gz WAQXWPMMBRXXHM-QAPCUYQASA-N 1 3 309.457 3.687 20 30 DHEDHO CCN(CC)c1ccc(/C=[NH+]/C2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000817708424 1029231678 /nfs/dbraw/zinc/23/16/78/1029231678.db2.gz XLMVJZRUSCFLHW-XSFVSMFZSA-N 1 3 317.477 3.530 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000817970093 1029311821 /nfs/dbraw/zinc/31/18/21/1029311821.db2.gz LFJLGCYYZOBKTN-BPUTZDHNSA-N 1 3 308.853 3.738 20 30 DHEDHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(C#N)cc2F)C1 ZINC000533448775 1030354892 /nfs/dbraw/zinc/35/48/92/1030354892.db2.gz HUEGBMGRVOLEQW-HOTGVXAUSA-N 1 3 317.452 3.545 20 30 DHEDHO N#CCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248404368 1030742992 /nfs/dbraw/zinc/74/29/92/1030742992.db2.gz QCXCIBGJEMDRGT-XUVXKRRUSA-N 1 3 311.473 3.571 20 30 DHEDHO CC1(C#N)CCC(N2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001173591822 1033780322 /nfs/dbraw/zinc/78/03/22/1033780322.db2.gz SLDMTGGNOTZPTP-UHFFFAOYSA-N 1 3 315.436 3.548 20 30 DHEDHO C=CCC1([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000668552588 1035972779 /nfs/dbraw/zinc/97/27/79/1035972779.db2.gz PFNADVGTJAGREX-HKUYNNGSSA-N 1 3 320.521 3.744 20 30 DHEDHO CCCCCCCCCN1CCN(CC[NH+](CC)CC)CC1 ZINC001201839311 1037916530 /nfs/dbraw/zinc/91/65/30/1037916530.db2.gz KTVJEOKANWAPBQ-UHFFFAOYSA-N 1 3 311.558 3.696 20 30 DHEDHO CC(C)(CC#N)CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602692129 1041154807 /nfs/dbraw/zinc/15/48/07/1041154807.db2.gz UJMCYGGMYVRIKX-PKOBYXMFSA-N 1 3 311.473 3.884 20 30 DHEDHO CC(C)(CC#N)CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602692129 1041154810 /nfs/dbraw/zinc/15/48/10/1041154810.db2.gz UJMCYGGMYVRIKX-PKOBYXMFSA-N 1 3 311.473 3.884 20 30 DHEDHO CC1CC[NH+](Cc2ccccc2CN[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442718574 335049981 /nfs/dbraw/zinc/04/99/81/335049981.db2.gz PFLFZGVETYWWNB-YLJYHZDGSA-N 1 3 311.473 3.700 20 30 DHEDHO C[C@@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCCCC1 ZINC000184513748 333197825 /nfs/dbraw/zinc/19/78/25/333197825.db2.gz IQCCVPKIUPSNQU-IRXDYDNUSA-N 1 3 315.461 3.504 20 30 DHEDHO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)C1 ZINC000292829363 334192930 /nfs/dbraw/zinc/19/29/30/334192930.db2.gz OPUDVVJJCZNXSH-CGXNFDGLSA-N 1 3 323.484 3.665 20 30 DHEDHO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)C1 ZINC000292829363 334192932 /nfs/dbraw/zinc/19/29/32/334192932.db2.gz OPUDVVJJCZNXSH-CGXNFDGLSA-N 1 3 323.484 3.665 20 30 DHEDHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000181696755 520257390 /nfs/dbraw/zinc/25/73/90/520257390.db2.gz YBUBBHNPVMFDNV-INIZCTEOSA-N 1 3 307.441 3.861 20 30 DHEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000181696755 520257400 /nfs/dbraw/zinc/25/74/00/520257400.db2.gz YBUBBHNPVMFDNV-INIZCTEOSA-N 1 3 307.441 3.861 20 30 DHEDHO C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173897854 1018369558 /nfs/dbraw/zinc/36/95/58/1018369558.db2.gz HHBFGYABWVBNCB-QGZVFWFLSA-N 1 3 319.452 3.657 20 30 DHEDHO C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173897854 1018369563 /nfs/dbraw/zinc/36/95/63/1018369563.db2.gz HHBFGYABWVBNCB-QGZVFWFLSA-N 1 3 319.452 3.657 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000766166960 1019077300 /nfs/dbraw/zinc/07/73/00/1019077300.db2.gz ZIBNZFPCHKLELT-YQQAZPJKSA-N 1 3 322.880 3.951 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000766166960 1019077307 /nfs/dbraw/zinc/07/73/07/1019077307.db2.gz ZIBNZFPCHKLELT-YQQAZPJKSA-N 1 3 322.880 3.951 20 30 DHEDHO CCCCCCCCCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000740878214 1020960243 /nfs/dbraw/zinc/96/02/43/1020960243.db2.gz UORDOZWLMUAGCY-FQEVSTJZSA-N 1 3 323.569 3.839 20 30 DHEDHO CCCCCCCCCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000740878214 1020960249 /nfs/dbraw/zinc/96/02/49/1020960249.db2.gz UORDOZWLMUAGCY-FQEVSTJZSA-N 1 3 323.569 3.839 20 30 DHEDHO N#Cc1ccccc1-c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566807167 1023235479 /nfs/dbraw/zinc/23/54/79/1023235479.db2.gz FZVZDMMJLIILCR-OALUTQOASA-N 1 3 305.425 3.585 20 30 DHEDHO C=CCC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000883194762 1024281083 /nfs/dbraw/zinc/28/10/83/1024281083.db2.gz CFEKRAWNBUDPHS-WOJBJXKFSA-N 1 3 320.521 3.887 20 30 DHEDHO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869384 1033250213 /nfs/dbraw/zinc/25/02/13/1033250213.db2.gz ARCSQHHSPYBHFC-XFQXTVEOSA-N 1 3 309.457 3.568 20 30 DHEDHO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869384 1033250219 /nfs/dbraw/zinc/25/02/19/1033250219.db2.gz ARCSQHHSPYBHFC-XFQXTVEOSA-N 1 3 309.457 3.568 20 30 DHEDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175411 1025811055 /nfs/dbraw/zinc/81/10/55/1025811055.db2.gz MFAPOHDVWMMXBA-LPHOPBHVSA-N 1 3 313.489 3.650 20 30 DHEDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175411 1025811059 /nfs/dbraw/zinc/81/10/59/1025811059.db2.gz MFAPOHDVWMMXBA-LPHOPBHVSA-N 1 3 313.489 3.650 20 30 DHEDHO C#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000809625015 1026575522 /nfs/dbraw/zinc/57/55/22/1026575522.db2.gz UASJNZDRNOPUJT-XMSQKQJNSA-N 1 3 318.464 3.811 20 30 DHEDHO C#Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000809625015 1026575526 /nfs/dbraw/zinc/57/55/26/1026575526.db2.gz UASJNZDRNOPUJT-XMSQKQJNSA-N 1 3 318.464 3.811 20 30 DHEDHO C=CCC[C@H](CC)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423468983 1027558305 /nfs/dbraw/zinc/55/83/05/1027558305.db2.gz KCTIMULPGRQOJM-YTQUADARSA-N 1 3 304.453 3.853 20 30 DHEDHO N#CCCC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000578866727 1028258030 /nfs/dbraw/zinc/25/80/30/1028258030.db2.gz XROOTTQUKJZVLW-HXUWFJFHSA-N 1 3 311.473 3.886 20 30 DHEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000163310945 1029167855 /nfs/dbraw/zinc/16/78/55/1029167855.db2.gz QQPUYCQSDJKXCV-JKSUJKDBSA-N 1 3 322.880 3.810 20 30 DHEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171189613 1031617446 /nfs/dbraw/zinc/61/74/46/1031617446.db2.gz HTSPXJFWBYUWRR-OAHLLOKOSA-N 1 3 313.489 3.730 20 30 DHEDHO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272236928 1036536337 /nfs/dbraw/zinc/53/63/37/1036536337.db2.gz VRRAOXBYALIKFR-DYESRHJHSA-N 1 3 319.452 3.558 20 30 DHEDHO CN1CCCC[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071870 1039028057 /nfs/dbraw/zinc/02/80/57/1039028057.db2.gz UZCDRHCYSZNURH-XLIONFOSSA-N 1 3 311.473 3.647 20 30 DHEDHO CCCCN1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594918696 1039926468 /nfs/dbraw/zinc/92/64/68/1039926468.db2.gz RNKAMPHBHYOBBS-UHFFFAOYSA-N 1 3 311.473 3.596 20 30 DHEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C#N)c1 ZINC000340594713 132048674 /nfs/dbraw/zinc/04/86/74/132048674.db2.gz BFMXCSNNHSQUJV-UHFFFAOYSA-N 1 3 307.441 3.642 20 30 DHEDHO C=CCC[C@H](CC)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000551564342 341345643 /nfs/dbraw/zinc/34/56/43/341345643.db2.gz NZLASYQBPQEQOR-SFHVURJKSA-N 1 3 316.489 3.994 20 30 DHEDHO N#Cc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048563652 1013835645 /nfs/dbraw/zinc/83/56/45/1013835645.db2.gz DUAVYHBZVPJUKL-UHFFFAOYSA-N 1 3 311.473 3.646 20 30 DHEDHO C[C@H](CC[NH2+][C@H]1CCCc2cc(C#N)ccc21)N1CCCCC1 ZINC000612422581 1032229125 /nfs/dbraw/zinc/22/91/25/1032229125.db2.gz ANJDAHAGRYCATJ-UZLBHIALSA-N 1 3 311.473 3.790 20 30 DHEDHO C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173897843 1018369780 /nfs/dbraw/zinc/36/97/80/1018369780.db2.gz HHBFGYABWVBNCB-KRWDZBQOSA-N 1 3 319.452 3.657 20 30 DHEDHO C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173897843 1018369787 /nfs/dbraw/zinc/36/97/87/1018369787.db2.gz HHBFGYABWVBNCB-KRWDZBQOSA-N 1 3 319.452 3.657 20 30 DHEDHO C#CCCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183045167 1021949942 /nfs/dbraw/zinc/94/99/42/1021949942.db2.gz NREOCMBVYAFHGD-KRWDZBQOSA-N 1 3 314.473 3.745 20 30 DHEDHO C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC001172480661 1033192810 /nfs/dbraw/zinc/19/28/10/1033192810.db2.gz WNFWSRSCVIWHDY-RSPOEFSDSA-N 1 3 311.473 3.569 20 30 DHEDHO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423473833 1027561020 /nfs/dbraw/zinc/56/10/20/1027561020.db2.gz OJSZWZVUBHDAGS-RIVXBTQJSA-N 1 3 304.453 3.709 20 30 DHEDHO C=CC[NH+]1CCC(N[C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000367753554 1028235875 /nfs/dbraw/zinc/23/58/75/1028235875.db2.gz ZOTJSGQRINZZAY-QGZVFWFLSA-N 1 3 320.864 3.794 20 30 DHEDHO C=CCOc1ccccc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925572888 1030409659 /nfs/dbraw/zinc/40/96/59/1030409659.db2.gz LHDDPJNQGZSASP-LJQANCHMSA-N 1 3 310.441 3.821 20 30 DHEDHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831438 1031577773 /nfs/dbraw/zinc/57/77/73/1031577773.db2.gz FIHWXTFNLAHGLT-PXNSSMCTSA-N 1 3 311.473 3.647 20 30 DHEDHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831438 1031577787 /nfs/dbraw/zinc/57/77/87/1031577787.db2.gz FIHWXTFNLAHGLT-PXNSSMCTSA-N 1 3 311.473 3.647 20 30 DHEDHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831439 1031579603 /nfs/dbraw/zinc/57/96/03/1031579603.db2.gz FIHWXTFNLAHGLT-XLIONFOSSA-N 1 3 311.473 3.647 20 30 DHEDHO CCC[N@H+]1CC[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831439 1031579610 /nfs/dbraw/zinc/57/96/10/1031579610.db2.gz FIHWXTFNLAHGLT-XLIONFOSSA-N 1 3 311.473 3.647 20 30 DHEDHO C[C@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000360836331 1031581757 /nfs/dbraw/zinc/58/17/57/1031581757.db2.gz MHBXJJMSXOCNRG-OXQOHEQNSA-N 1 3 311.473 3.647 20 30 DHEDHO CC[C@H](CN[C@H]1CCCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000360838091 1031584440 /nfs/dbraw/zinc/58/44/40/1031584440.db2.gz SSSWRVZZEFZVJM-QUCCMNQESA-N 1 3 311.473 3.790 20 30 DHEDHO N#CC1CCC(CN2CCC([NH2+]Cc3ccccc3)CC2)CC1 ZINC000930615762 1031890566 /nfs/dbraw/zinc/89/05/66/1031890566.db2.gz SQVKILZLOMYXRV-UHFFFAOYSA-N 1 3 311.473 3.571 20 30 DHEDHO C#CC[C@@H](CCOC)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000862549298 1033886869 /nfs/dbraw/zinc/88/68/69/1033886869.db2.gz ZEZWYTWGHXZHJR-KRWDZBQOSA-N 1 3 322.537 3.684 20 30 DHEDHO C(#Cc1ccccc1)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000192125701 1035764238 /nfs/dbraw/zinc/76/42/38/1035764238.db2.gz DMFBCNLBOOJUJO-UHFFFAOYSA-N 1 3 310.485 3.626 20 30 DHEDHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071871 1039030036 /nfs/dbraw/zinc/03/00/36/1039030036.db2.gz UZCDRHCYSZNURH-YLJYHZDGSA-N 1 3 311.473 3.647 20 30 DHEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030873 1039360027 /nfs/dbraw/zinc/36/00/27/1039360027.db2.gz PIXCPZRNKNNPON-BRWVUGGUSA-N 1 3 317.502 3.503 20 30 DHEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030873 1039360074 /nfs/dbraw/zinc/36/00/74/1039360074.db2.gz PIXCPZRNKNNPON-BRWVUGGUSA-N 1 3 317.502 3.503 20 30 DHEDHO N#CC[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000595622487 1040196180 /nfs/dbraw/zinc/19/61/80/1040196180.db2.gz BJCABFMZFTXZNR-GOSISDBHSA-N 1 3 311.473 3.798 20 30 DHEDHO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000602665892 1041150475 /nfs/dbraw/zinc/15/04/75/1041150475.db2.gz DLLBEEAFDRREDA-QUCCMNQESA-N 1 3 313.489 3.818 20 30 DHEDHO CC1CC[NH+](Cc2ccccc2CN[C@H]2CC[C@H](C#N)C2)CC1 ZINC000442718567 335050028 /nfs/dbraw/zinc/05/00/28/335050028.db2.gz PFLFZGVETYWWNB-PXNSSMCTSA-N 1 3 311.473 3.700 20 30 DHEDHO C#Cc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000290393798 335072980 /nfs/dbraw/zinc/07/29/80/335072980.db2.gz OSVWNPGMZMYCRH-UHFFFAOYSA-N 1 3 304.437 3.554 20 30 DHEDHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCC(C)(C)C#N ZINC000276205129 334075132 /nfs/dbraw/zinc/07/51/32/334075132.db2.gz JWOXCQONDCRMOT-IRXDYDNUSA-N 1 3 313.489 3.672 20 30 DHEDHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC(C)(C)CCC#N)CC2)C1 ZINC000348204296 335565495 /nfs/dbraw/zinc/56/54/95/335565495.db2.gz GIKCUEAJHDOSSD-FUHWJXTLSA-N 1 3 305.510 3.949 20 30 DHEDHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000367035192 335589077 /nfs/dbraw/zinc/58/90/77/335589077.db2.gz IHKOTBJQZFPZQY-USWSCHJFSA-N 1 3 317.521 3.949 20 30 DHEDHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000193023304 336287183 /nfs/dbraw/zinc/28/71/83/336287183.db2.gz ULTBUXXHSMSGSP-INIZCTEOSA-N 1 3 315.461 3.504 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2ccc3cc(OC)ccc3c2)CC1 ZINC000106246376 336389166 /nfs/dbraw/zinc/38/91/66/336389166.db2.gz RKOFWKDAFRNMTP-UHFFFAOYSA-N 1 3 324.468 3.979 20 30 DHEDHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(C#N)c(F)c2)C1 ZINC000421336938 337527186 /nfs/dbraw/zinc/52/71/86/337527186.db2.gz XPORJNZVWGBHNH-HOTGVXAUSA-N 1 3 317.452 3.545 20 30 DHEDHO N#Cc1ccc2c(c1)[C@@H](N[C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423507017 337723732 /nfs/dbraw/zinc/72/37/32/337723732.db2.gz JJTHXOJXRRPMCW-UXHICEINSA-N 1 3 305.425 3.615 20 30 DHEDHO N#C[C@H]1CC[C@@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000442778093 338430624 /nfs/dbraw/zinc/43/06/24/338430624.db2.gz FLVFCJJUJGBFFN-VQTJNVASSA-N 1 3 311.473 3.844 20 30 DHEDHO C=CCCC[C@H](C)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501075597 340073773 /nfs/dbraw/zinc/07/37/73/340073773.db2.gz KBZFIDCKOCYZJS-KRWDZBQOSA-N 1 3 301.478 3.975 20 30 DHEDHO C=CCCC[C@H](C)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501075597 340073774 /nfs/dbraw/zinc/07/37/74/340073774.db2.gz KBZFIDCKOCYZJS-KRWDZBQOSA-N 1 3 301.478 3.975 20 30 DHEDHO C=C(C)C[NH+]1CCC(NC/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512013424 340345338 /nfs/dbraw/zinc/34/53/38/340345338.db2.gz ALIDXLVPLNSQQP-ARJAWSKDSA-N 1 3 306.400 3.608 20 30 DHEDHO C=CC[C@@H]([NH2+]C1CCN(CCC(C)C)CC1)c1ccncc1 ZINC000925073792 1013384430 /nfs/dbraw/zinc/38/44/30/1013384430.db2.gz DSMBWNVJHSIHNU-LJQANCHMSA-N 1 3 301.478 3.799 20 30 DHEDHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(C#N)cc1 ZINC000048712398 1013929676 /nfs/dbraw/zinc/92/96/76/1013929676.db2.gz ZCQWUEMQZAEUNB-UHFFFAOYSA-N 1 3 307.441 3.688 20 30 DHEDHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(C#N)cc1 ZINC000048712398 1013929677 /nfs/dbraw/zinc/92/96/77/1013929677.db2.gz ZCQWUEMQZAEUNB-UHFFFAOYSA-N 1 3 307.441 3.688 20 30 DHEDHO C=C(C)C[NH+]1CCC(NCc2ccc(OCC)cc2C)CC1 ZINC000657352864 1016416232 /nfs/dbraw/zinc/41/62/32/1016416232.db2.gz LSHWWUPVLQKELL-UHFFFAOYSA-N 1 3 302.462 3.524 20 30 DHEDHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391909 1019465805 /nfs/dbraw/zinc/46/58/05/1019465805.db2.gz DWBUPCJEEWMMKV-PXNSSMCTSA-N 1 3 311.473 3.646 20 30 DHEDHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391910 1019465953 /nfs/dbraw/zinc/46/59/53/1019465953.db2.gz DWBUPCJEEWMMKV-XLIONFOSSA-N 1 3 311.473 3.646 20 30 DHEDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391908 1019466494 /nfs/dbraw/zinc/46/64/94/1019466494.db2.gz DWBUPCJEEWMMKV-FXAWDEMLSA-N 1 3 311.473 3.646 20 30 DHEDHO C=CCC[C@@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166205 1020200550 /nfs/dbraw/zinc/20/05/50/1020200550.db2.gz MZOOUMDWLFJCSB-LJQANCHMSA-N 1 3 301.478 3.628 20 30 DHEDHO Cc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1C#N ZINC000926967025 1032989060 /nfs/dbraw/zinc/98/90/60/1032989060.db2.gz ZMFSZHGWDMOXDE-MRXNPFEDSA-N 1 3 307.441 3.779 20 30 DHEDHO CC1([NH+]2CCCC2)CCC(NCc2cc(C#N)ccc2F)CC1 ZINC000886550090 1025695620 /nfs/dbraw/zinc/69/56/20/1025695620.db2.gz SDDUBGACECJBHY-UHFFFAOYSA-N 1 3 315.436 3.584 20 30 DHEDHO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000089513119 1026051308 /nfs/dbraw/zinc/05/13/08/1026051308.db2.gz MVZXBYDFJWDCOX-MRXNPFEDSA-N 1 3 314.473 3.612 20 30 DHEDHO C#Cc1ccc(CNC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000809607274 1026561942 /nfs/dbraw/zinc/56/19/42/1026561942.db2.gz VBVATEYDWBZIHN-UHFFFAOYSA-N 1 3 318.464 3.731 20 30 DHEDHO C#Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000809625012 1026575690 /nfs/dbraw/zinc/57/56/90/1026575690.db2.gz UASJNZDRNOPUJT-AVRDEDQJSA-N 1 3 318.464 3.811 20 30 DHEDHO C#Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000809625012 1026575699 /nfs/dbraw/zinc/57/56/99/1026575699.db2.gz UASJNZDRNOPUJT-AVRDEDQJSA-N 1 3 318.464 3.811 20 30 DHEDHO C#CCOc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000817963527 1029299256 /nfs/dbraw/zinc/29/92/56/1029299256.db2.gz TXFDKZOZBPSLOG-CVEARBPZSA-N 1 3 308.425 3.569 20 30 DHEDHO C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000822526300 1030046194 /nfs/dbraw/zinc/04/61/94/1030046194.db2.gz SEABQIDFRRGJPB-MRXNPFEDSA-N 1 3 307.441 3.813 20 30 DHEDHO N#CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248404367 1030742348 /nfs/dbraw/zinc/74/23/48/1030742348.db2.gz QCXCIBGJEMDRGT-VAMGGRTRSA-N 1 3 311.473 3.571 20 30 DHEDHO C[C@@H](Cc1cccc(C#N)c1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001171179920 1031563431 /nfs/dbraw/zinc/56/34/31/1031563431.db2.gz YWVOJKLZUIXBNX-UWJYYQICSA-N 1 3 321.468 3.772 20 30 DHEDHO C[C@@H](CN[C@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000360836326 1031582759 /nfs/dbraw/zinc/58/27/59/1031582759.db2.gz MHBXJJMSXOCNRG-JXFKEZNVSA-N 1 3 311.473 3.647 20 30 DHEDHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(CC#N)CC1 ZINC000541919519 1036460852 /nfs/dbraw/zinc/46/08/52/1036460852.db2.gz NBTCXSAXYIEXHT-UHFFFAOYSA-N 1 3 313.489 3.770 20 30 DHEDHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(CC#N)CC1 ZINC000541919519 1036460861 /nfs/dbraw/zinc/46/08/61/1036460861.db2.gz NBTCXSAXYIEXHT-UHFFFAOYSA-N 1 3 313.489 3.770 20 30 DHEDHO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(CCCC)CC2)cc1 ZINC000164463641 1038191419 /nfs/dbraw/zinc/19/14/19/1038191419.db2.gz FGCYUIBHPLMUGY-QGZVFWFLSA-N 1 3 314.473 3.614 20 30 DHEDHO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775393866 1038335493 /nfs/dbraw/zinc/33/54/93/1038335493.db2.gz BSAGHQSYJWGYMU-HZPDHXFCSA-N 1 3 302.462 3.906 20 30 DHEDHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071869 1039028419 /nfs/dbraw/zinc/02/84/19/1039028419.db2.gz UZCDRHCYSZNURH-PXNSSMCTSA-N 1 3 311.473 3.647 20 30 DHEDHO CC(C)CN1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594495699 1039797155 /nfs/dbraw/zinc/79/71/55/1039797155.db2.gz SPHAYSGDGPGRPQ-UHFFFAOYSA-N 1 3 313.489 3.698 20 30 DHEDHO C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC000295115460 335132279 /nfs/dbraw/zinc/13/22/79/335132279.db2.gz WSNFSJFIMZUCLP-MQVJKMGUSA-N 1 3 320.864 3.620 20 30 DHEDHO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)C1 ZINC000292829357 334192969 /nfs/dbraw/zinc/19/29/69/334192969.db2.gz OPUDVVJJCZNXSH-ANULTFPQSA-N 1 3 323.484 3.665 20 30 DHEDHO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)C1 ZINC000292829357 334192971 /nfs/dbraw/zinc/19/29/71/334192971.db2.gz OPUDVVJJCZNXSH-ANULTFPQSA-N 1 3 323.484 3.665 20 30 DHEDHO Cc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)ccc1C#N ZINC000443980755 338465237 /nfs/dbraw/zinc/46/52/37/338465237.db2.gz NKGPGERGSDHZSR-UHFFFAOYSA-N 1 3 319.452 3.752 20 30 DHEDHO C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)CCC#N)CN1Cc1ccccc1 ZINC000120175129 337395525 /nfs/dbraw/zinc/39/55/25/337395525.db2.gz TTYWVTJPYSXOLS-MJGOQNOKSA-N 1 3 313.489 3.817 20 30 DHEDHO CC(C)CC[NH+]1CCC(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000421363051 337532191 /nfs/dbraw/zinc/53/21/91/337532191.db2.gz KNABNMZBHZOIEJ-UHFFFAOYSA-N 1 3 317.452 3.545 20 30 DHEDHO CC1CC[NH+](Cc2cccc(CN[C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442789697 338431558 /nfs/dbraw/zinc/43/15/58/338431558.db2.gz KENMNDIFEAPFJB-FXAWDEMLSA-N 1 3 311.473 3.700 20 30 DHEDHO C=CCOc1ccc(CN2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000506929548 340203946 /nfs/dbraw/zinc/20/39/46/340203946.db2.gz RMJBRHPFTYJKRC-UHFFFAOYSA-N 1 3 316.489 3.805 20 30 DHEDHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000181696821 520256620 /nfs/dbraw/zinc/25/66/20/520256620.db2.gz OPRZKJZQQTTXDN-MRXNPFEDSA-N 1 3 307.441 3.861 20 30 DHEDHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000181696821 520256627 /nfs/dbraw/zinc/25/66/27/520256627.db2.gz OPRZKJZQQTTXDN-MRXNPFEDSA-N 1 3 307.441 3.861 20 30 DHEDHO