smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(C)[n+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000182241539 1032081581 /nfs/dbraw/zinc/08/15/81/1032081581.db2.gz DZMOICPRMNSKGH-KRWDZBQOSA-N 1 0 333.814 3.615 10 30 EHEERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)s3)CC2)n1 ZINC000134969302 1017891863 /nfs/dbraw/zinc/89/18/63/1017891863.db2.gz RXELRLFCWWMHSP-AWEZNQCLSA-N 1 0 326.469 3.643 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(C#N)s1 ZINC000135082599 1020265647 /nfs/dbraw/zinc/26/56/47/1020265647.db2.gz DTEVTFYXMXQOHW-NWDGAFQWSA-N 1 0 332.860 3.598 10 30 EHEERO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328680263 1022465272 /nfs/dbraw/zinc/46/52/72/1022465272.db2.gz BWZZVEVUHMCWHQ-BBRMVZONSA-N 1 0 329.444 3.857 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)s1 ZINC000183362549 1027644938 /nfs/dbraw/zinc/64/49/38/1027644938.db2.gz FYVTUCOSARMRSP-LIXBPZJASA-N 1 0 347.434 3.994 10 30 EHEERO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(C#N)s1 ZINC000183360550 1027645038 /nfs/dbraw/zinc/64/50/38/1027645038.db2.gz MHWHLKMFAXQKLJ-IUODEOHRSA-N 1 0 343.427 3.605 10 30 EHEERO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N+](C)(C)C1CCCC1 ZINC000007760447 717105953 /nfs/dbraw/zinc/10/59/53/717105953.db2.gz LDICWSMPOJAVIJ-LBPRGKRZSA-O 1 0 340.285 3.795 10 30 EHEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)c(F)c1 ZINC000328723450 1022464594 /nfs/dbraw/zinc/46/45/94/1022464594.db2.gz YCBDGROVLVFOFQ-WFASDCNBSA-N 1 0 333.407 3.742 10 30 EHEERO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)n1cnc2ccccc21 ZINC000329108594 1025606958 /nfs/dbraw/zinc/60/69/58/1025606958.db2.gz FLRAUZOIAAQJTG-CABCVRRESA-N 1 0 326.444 3.571 10 30 EHEERO Cc1cnn(CC2CC[NH+]([C@@H](C)C(=O)NC3CCC(C)CC3)CC2)c1 ZINC000329202651 1025664274 /nfs/dbraw/zinc/66/42/74/1025664274.db2.gz YCSNIDMAFWCORQ-RMXPPQQLSA-N 1 0 346.519 3.827 10 30 EHEERO C#CCOc1ccc(C[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000154200488 1029042026 /nfs/dbraw/zinc/04/20/26/1029042026.db2.gz YNYQNECIVGNZQH-UHFFFAOYSA-N 1 0 326.465 3.519 10 30 EHEERO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000106038464 1033530463 /nfs/dbraw/zinc/53/04/63/1033530463.db2.gz XDBMRVNAIJWAPA-UHFFFAOYSA-N 1 0 342.414 3.856 10 30 EHEERO C1CCC([NH+]=C(NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1 ZINC000005188632 563522445 /nfs/dbraw/zinc/52/24/45/563522445.db2.gz GKCGWXNLOYTUNC-UHFFFAOYSA-N 1 0 345.531 3.566 10 30 in-vitro EHEERO [NH3+]C[C@@H](Oc1ccc(F)c(C(F)(F)F)c1)C(F)(F)C(F)(F)F ZINC000616569361 564177345 /nfs/dbraw/zinc/17/73/45/564177345.db2.gz KBXHTLBCGYDCNY-MRVPVSSYSA-N 1 0 341.173 3.748 10 30 EHEERO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245751621 1029243910 /nfs/dbraw/zinc/24/39/10/1029243910.db2.gz HEGXZIHNVUMBBH-FUHWJXTLSA-N 1 0 341.455 3.540 10 30 EHEERO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333143555 1137956483 /nfs/dbraw/zinc/95/64/83/1137956483.db2.gz CRORKTJCNPZUSC-GOSISDBHSA-N 1 0 338.430 3.522 10 30 EHEERO N#CCOc1ccccc1C[NH2+]Cc1ccc(Br)s1 ZINC000037985151 526476501 /nfs/dbraw/zinc/47/65/01/526476501.db2.gz KURPHTMIIMAPJK-UHFFFAOYSA-N 1 0 337.242 3.703 10 30 EHEERO C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[N+](C)(C)C1CCCC1 ZINC000015457966 717112500 /nfs/dbraw/zinc/11/25/00/717112500.db2.gz NGFIKZOZMZVGPY-GOSISDBHSA-N 1 0 343.535 3.875 10 30 EHEERO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328680266 1022466373 /nfs/dbraw/zinc/46/63/73/1022466373.db2.gz BWZZVEVUHMCWHQ-XJKSGUPXSA-N 1 0 329.444 3.857 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000328846766 1022512430 /nfs/dbraw/zinc/51/24/30/1022512430.db2.gz SCQIJQVSUNKAPG-KNRVEAQASA-N 1 0 335.492 3.643 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cc(Cl)ccc1F ZINC000330220983 1024361886 /nfs/dbraw/zinc/36/18/86/1024361886.db2.gz LFIWOGDTMJBBES-JBCWJZNQSA-N 1 0 326.799 3.613 10 30 EHEERO C[C@@H]1CCC[C@H](NC(=O)CN2CC[C@H](c3nc(C4CC4)no3)C2)[C@@H]1C ZINC000329035741 1025577506 /nfs/dbraw/zinc/57/75/06/1025577506.db2.gz MUPDKRFEQWSWTM-VDERGJSUSA-N 1 0 346.475 3.518 10 30 EHEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000248915203 1028967233 /nfs/dbraw/zinc/96/72/33/1028967233.db2.gz VZCTYZYAVWSJPZ-OAGGEKHMSA-N 1 0 349.425 3.929 10 30 EHEERO C#CCCOc1ccc(C[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000154200353 1029041623 /nfs/dbraw/zinc/04/16/23/1029041623.db2.gz ZJVQKSCDTWWNCV-UHFFFAOYSA-N 1 0 340.492 3.909 10 30 EHEERO N#Cc1ccc(-c2cnc(OC3CC[NH+](C4CCCC4)CC3)nc2)cc1 ZINC000006744328 201694442 /nfs/dbraw/zinc/69/44/42/201694442.db2.gz QLOYQRHNLOVVHX-UHFFFAOYSA-N 1 0 348.450 3.801 10 30 EHEERO C=C(Br)COc1c(Cl)cc(C[C@@H]([NH3+])CC)cc1OC ZINC000037723062 204320415 /nfs/dbraw/zinc/32/04/15/204320415.db2.gz BYJAAEFPPANPFE-NSHDSACASA-N 1 0 348.668 3.916 10 30 EHEERO Cc1ccc(CCC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000328640560 564137135 /nfs/dbraw/zinc/13/71/35/564137135.db2.gz XLSDSDDNJCQBPW-LPHOPBHVSA-N 1 0 327.428 3.565 10 30 EHEERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1 ZINC000029415857 717119325 /nfs/dbraw/zinc/11/93/25/717119325.db2.gz RRPHUBVCTPINRQ-OAHLLOKOSA-O 1 0 347.479 3.598 10 30 EHEERO COc1ccc(C[NH+]2CCC(c3nc(C)cs3)CC2)cc1C#N ZINC000135020525 1018341568 /nfs/dbraw/zinc/34/15/68/1018341568.db2.gz KDANTEOJCNFURS-UHFFFAOYSA-N 1 0 327.453 3.711 10 30 EHEERO O=C(C[C@@H]1CCCCNC1=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000328766799 1022484747 /nfs/dbraw/zinc/48/47/47/1022484747.db2.gz HHHMKJXDSBMPJJ-GJZGRUSLSA-N 1 0 349.500 3.988 10 30 EHEERO CC[C@@H]1CCN1CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000330266008 1024378955 /nfs/dbraw/zinc/37/89/55/1024378955.db2.gz HJJQUXYFZVMGPW-UZLBHIALSA-N 1 0 346.471 3.986 10 30 EHEERO N#Cc1ccccc1Cn1cccc1C[NH2+][C@H]1COc2ccccc21 ZINC000187870746 1028263899 /nfs/dbraw/zinc/26/38/99/1028263899.db2.gz DFLXOILDKLJHNL-FQEVSTJZSA-N 1 0 329.403 3.631 10 30 EHEERO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245751630 1030226823 /nfs/dbraw/zinc/22/68/23/1030226823.db2.gz HEGXZIHNVUMBBH-SJLPKXTDSA-N 1 0 341.455 3.540 10 30 EHEERO C=CCC[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000178453686 1031667319 /nfs/dbraw/zinc/66/73/19/1031667319.db2.gz KQXYQHQYOOOSSM-IBGZPJMESA-N 1 0 327.472 3.574 10 30 EHEERO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)cc1 ZINC000189959004 1036167604 /nfs/dbraw/zinc/16/76/04/1036167604.db2.gz VKGRYUSUIAIRBD-CQSZACIVSA-N 1 0 342.468 3.510 10 30 EHEERO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cc1C#N ZINC000191360054 1036918668 /nfs/dbraw/zinc/91/86/68/1036918668.db2.gz GVEQAEDZZMMRKM-GOSISDBHSA-N 1 0 345.450 3.666 10 30 EHEERO C=C(Cl)COc1c(Br)cc(C[C@@H](C)[NH3+])cc1OCC ZINC000037722340 202029927 /nfs/dbraw/zinc/02/99/27/202029927.db2.gz ZBVLTZLMPNKUJE-SNVBAGLBSA-N 1 0 348.668 3.869 10 30 EHEERO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1cnc2ccccc2n1 ZINC000072457509 216242021 /nfs/dbraw/zinc/24/20/21/216242021.db2.gz GAKSQVZCMYIBHD-GOSISDBHSA-N 1 0 348.450 3.870 10 30 EHEERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(C#N)s1 ZINC000135082651 1020264905 /nfs/dbraw/zinc/26/49/05/1020264905.db2.gz DTEVTFYXMXQOHW-NEPJUHHUSA-N 1 0 332.860 3.598 10 30 EHEERO O=C(C[NH2+][C@H]1CCC(=O)NC12CCC2)NC12CC3CC(CC(C3)C1)C2 ZINC000328700975 1022470286 /nfs/dbraw/zinc/47/02/86/1022470286.db2.gz NAVRTGAGSHBCFO-DZPQGLOJSA-N 1 0 345.487 3.543 10 30 EHEERO C[C@H](NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc2c(c1)CCCC2 ZINC000330203983 1024352055 /nfs/dbraw/zinc/35/20/55/1024352055.db2.gz BFYYLLGTOGISMP-ZKYUUJBMSA-N 1 0 342.483 3.740 10 30 EHEERO Cn1cncc1[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000330331054 1024921345 /nfs/dbraw/zinc/92/13/45/1024921345.db2.gz NUDVQAHZKJPAPB-KONPQCLYSA-N 1 0 331.460 3.813 10 30 EHEERO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(C#N)s1 ZINC000183360589 1027645134 /nfs/dbraw/zinc/64/51/34/1027645134.db2.gz MHWHLKMFAXQKLJ-DOMZBBRYSA-N 1 0 343.427 3.605 10 30 EHEERO COc1cccc(NC(=[NH2+])N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1 ZINC000262802504 1029637872 /nfs/dbraw/zinc/63/78/72/1029637872.db2.gz MSIVIAMWEQXLGH-YGUOUDRMSA-N 1 0 331.366 3.646 10 30 EHEERO N#Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@H]2C#N)sc2c1CCCC2 ZINC000329617947 1031445999 /nfs/dbraw/zinc/44/59/99/1031445999.db2.gz SUQZKSGAXLDOMU-WFASDCNBSA-N 1 0 342.468 3.759 10 30 EHEERO C#CCCOc1ccc(C[NH2+]C2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116924487 1037845652 /nfs/dbraw/zinc/84/56/52/1037845652.db2.gz CMEKEVAZGLKJIJ-UHFFFAOYSA-N 1 0 349.478 3.551 10 30 EHEERO N#Cc1ccc([C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C(N)=O)cc1 ZINC000328633918 258027128 /nfs/dbraw/zinc/02/71/28/258027128.db2.gz SWAQAZPHSRLVBW-GUDVDZBRSA-N 1 0 335.407 3.502 10 30 EHEERO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH]ccc32)[C@@H]1c1cccnc1 ZINC000328622588 564136973 /nfs/dbraw/zinc/13/69/73/564136973.db2.gz IMUOWWVPBDQRRF-KXBFYZLASA-N 1 0 334.423 3.561 10 30 EHEERO C[C@H](C(=O)Nc1ccccc1Br)[N+](C)(C)C1CCCC1 ZINC000029415048 717118766 /nfs/dbraw/zinc/11/87/66/717118766.db2.gz NCPIANRCYJBAGT-GFCCVEGCSA-O 1 0 340.285 3.795 10 30 EHEERO C[C@@H](C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[N+](C)(C)C1CCCC1 ZINC000029414989 717118783 /nfs/dbraw/zinc/11/87/83/717118783.db2.gz LPCWJPFSXPCEQB-NSHDSACASA-O 1 0 340.831 3.594 10 30 EHEERO O=C1[C@@H]([n+]2ccc3ccccc3c2)CCN1c1ccc(F)c(Cl)c1 ZINC000182240997 1032082791 /nfs/dbraw/zinc/08/27/91/1032082791.db2.gz UVTRXESSUAWXEL-SFHVURJKSA-N 1 0 341.793 3.898 10 30 EHEERO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000189749051 1016705531 /nfs/dbraw/zinc/70/55/31/1016705531.db2.gz NITWLGWDOCJOQW-IBGZPJMESA-N 1 0 345.450 3.511 10 30 EHEERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000330132341 1018002503 /nfs/dbraw/zinc/00/25/03/1018002503.db2.gz LJKVVPMGGGMWJC-DZQUYAIASA-N 1 0 346.515 3.539 10 30 EHEERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328632891 1022451294 /nfs/dbraw/zinc/45/12/94/1022451294.db2.gz AQIBNCJBLXQEHD-OWCLPIDISA-N 1 0 337.508 3.989 10 30 EHEERO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)Nc1c(F)cccc1F ZINC000328702624 1022472429 /nfs/dbraw/zinc/47/24/29/1022472429.db2.gz NWWIZALGBCCZNI-GWCFXTLKSA-N 1 0 337.370 3.573 10 30 EHEERO C=CCOc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000247273665 1028768367 /nfs/dbraw/zinc/76/83/67/1028768367.db2.gz YFPXGIXWNWHUGO-NVXWUHKLSA-N 1 0 339.888 3.611 10 30 EHEERO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000245575020 1028869842 /nfs/dbraw/zinc/86/98/42/1028869842.db2.gz ZSJWBQCBWOPFGX-QGZVFWFLSA-N 1 0 340.496 3.873 10 30 EHEERO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788825 1030522288 /nfs/dbraw/zinc/52/22/88/1030522288.db2.gz ZSJWBQCBWOPFGX-KRWDZBQOSA-N 1 0 340.496 3.873 10 30 EHEERO Cc1ccc(C#N)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000374757454 1129396181 /nfs/dbraw/zinc/39/61/81/1129396181.db2.gz BXGLRHXMLSBQHT-UXHICEINSA-N 1 0 332.451 3.505 10 30 EHEERO Clc1cc(Cl)c(Cl)c(C#CCN2CC[NH2+]CC2)c1Cl ZINC000037547813 202009305 /nfs/dbraw/zinc/00/93/05/202009305.db2.gz FLQVKCBXHVUWAI-UHFFFAOYSA-N 1 0 338.065 3.557 10 30 EHEERO C=CCC[C@@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ncc(Cl)cn1 ZINC000072478667 216256539 /nfs/dbraw/zinc/25/65/39/216256539.db2.gz BYQSPIHSQKDZNK-UXLLHSPISA-N 1 0 333.863 3.742 10 30 EHEERO O=C(C[n+]1ccc(-c2ccccc2F)nc1)c1ccc(Cl)cc1 ZINC000048523505 564129293 /nfs/dbraw/zinc/12/92/93/564129293.db2.gz WKBZOMBXXBRLAX-UHFFFAOYSA-N 1 0 327.766 3.712 10 30 EHEERO C[C@H](C(=O)Nc1cccc(Br)c1)[N+](C)(C)C1CCCC1 ZINC000015457868 717111980 /nfs/dbraw/zinc/11/19/80/717111980.db2.gz XHCDBJNADDFEHL-GFCCVEGCSA-O 1 0 340.285 3.795 10 30 EHEERO COc1cc(Cl)c(C)cc1NC(=O)C[N+](C)(C)C1CCCC1 ZINC000024155879 717113635 /nfs/dbraw/zinc/11/36/35/717113635.db2.gz KTPQDZXLQZLCNL-UHFFFAOYSA-O 1 0 325.860 3.615 10 30 EHEERO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)N[C@H]1CCCc2ccccc21 ZINC000328687983 1022467621 /nfs/dbraw/zinc/46/76/21/1022467621.db2.gz HKEMCJXNOGHXCB-DLBZAZTESA-N 1 0 341.455 3.652 10 30 EHEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000248915201 1028965951 /nfs/dbraw/zinc/96/59/51/1028965951.db2.gz VZCTYZYAVWSJPZ-BZUAXINKSA-N 1 0 349.425 3.929 10 30 EHEERO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245396120 1030049013 /nfs/dbraw/zinc/04/90/13/1030049013.db2.gz JZDXFCYHGFBZFH-NVXWUHKLSA-N 1 0 343.496 3.895 10 30 EHEERO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000245396119 1030049334 /nfs/dbraw/zinc/04/93/34/1030049334.db2.gz JZDXFCYHGFBZFH-DOTOQJQBSA-N 1 0 343.496 3.895 10 30 EHEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788644 1030521751 /nfs/dbraw/zinc/52/17/51/1030521751.db2.gz FEVAMHIJHMWVPX-HOCLYGCPSA-N 1 0 327.453 3.814 10 30 EHEERO COc1cccc(-c2cc[n+](CC(=O)c3ccc(Cl)cc3)cn2)c1 ZINC000048523485 564129291 /nfs/dbraw/zinc/12/92/91/564129291.db2.gz JIPKJPMOUOCUHY-UHFFFAOYSA-N 1 0 339.802 3.581 10 30 EHEERO C[C@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccc2c(c1)CCCC2 ZINC000029414484 717118945 /nfs/dbraw/zinc/11/89/45/717118945.db2.gz TZCFMZZHHAIIIV-INIZCTEOSA-O 1 0 329.508 3.762 10 30 EHEERO C[N+](C)(C1CCCC1)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000182241773 717157812 /nfs/dbraw/zinc/15/78/12/717157812.db2.gz FLKWXFKRGUCGNP-INIZCTEOSA-N 1 0 325.835 3.603 10 30 EHEERO CC(C)[C@@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)[NH+]1CCC(C)CC1 ZINC000328649785 1022453089 /nfs/dbraw/zinc/45/30/89/1022453089.db2.gz IVXXMZZNOWNOPN-DLBZAZTESA-N 1 0 337.508 3.989 10 30 EHEERO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328682849 1022466625 /nfs/dbraw/zinc/46/66/25/1022466625.db2.gz DEMRAAWRDXAAFU-CJNGLKHVSA-N 1 0 345.443 3.611 10 30 EHEERO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000246747036 1028685868 /nfs/dbraw/zinc/68/58/68/1028685868.db2.gz HADVCRHDWUKLAS-YPAWHYETSA-N 1 0 331.463 3.712 10 30 EHEERO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)cc1 ZINC000189958984 1036167376 /nfs/dbraw/zinc/16/73/76/1036167376.db2.gz VKGRYUSUIAIRBD-AWEZNQCLSA-N 1 0 342.468 3.510 10 30 EHEERO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1cnc2ccccc2n1 ZINC000072457510 564063855 /nfs/dbraw/zinc/06/38/55/564063855.db2.gz GAKSQVZCMYIBHD-SFHVURJKSA-N 1 0 348.450 3.870 10 30 EHEERO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3cc[nH]c32)[C@@H]1c1cccnc1 ZINC000328619544 564136953 /nfs/dbraw/zinc/13/69/53/564136953.db2.gz GAFIJAUNTPAUNF-LPHOPBHVSA-N 1 0 334.423 3.561 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000246972056 1016251151 /nfs/dbraw/zinc/25/11/51/1016251151.db2.gz IMFXWVGWJBVBRA-XGHQBKJUSA-N 1 0 334.467 3.514 10 30 EHEERO C[C@H](CNC(=O)C[C@@H]1CCCCNC1=O)[N@@H+]1CCc2ccccc2C1 ZINC000328797349 1022504465 /nfs/dbraw/zinc/50/44/65/1022504465.db2.gz VSJVKFZOSSGRSN-WBVHZDCISA-N 1 0 343.471 3.536 10 30 EHEERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C1 ZINC000328927989 1022623552 /nfs/dbraw/zinc/62/35/52/1022623552.db2.gz XMCSEIZJXLLZJO-AAEUAGOBSA-N 1 0 333.457 3.558 10 30 EHEERO C=C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccccc1 ZINC000248041788 1028842284 /nfs/dbraw/zinc/84/22/84/1028842284.db2.gz MCDINGORCSDRCD-RLLQIKCJSA-N 1 0 326.484 3.820 10 30 EHEERO Cc1nc(NC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)sc1C ZINC000329187640 1029976175 /nfs/dbraw/zinc/97/61/75/1029976175.db2.gz BGDGLBVIEMVFSH-GFCCVEGCSA-N 1 0 347.488 3.595 10 30 EHEERO C=C(Br)COc1ccc(C[C@@H]([NH3+])CC)cc1OCC ZINC000037726240 204323099 /nfs/dbraw/zinc/32/30/99/204323099.db2.gz FANJZXXJONZMSJ-ZDUSSCGKSA-N 1 0 328.250 3.653 10 30 EHEERO C=CCOc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000247273673 1028769236 /nfs/dbraw/zinc/76/92/36/1028769236.db2.gz YFPXGIXWNWHUGO-WBVHZDCISA-N 1 0 339.888 3.611 10 30 EHEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000262846536 1029645322 /nfs/dbraw/zinc/64/53/22/1029645322.db2.gz VVTJIMXKENIAER-SHTZXODSSA-N 1 0 327.403 3.645 10 30 EHEERO N#Cc1cnc2ccc(Cl)cc2c1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333611977 1138311281 /nfs/dbraw/zinc/31/12/81/1138311281.db2.gz YCIAEMUGYCWONG-AWEZNQCLSA-N 1 0 340.858 3.586 10 30 EHEERO Cc1ccccc1NC1=C([n+]2ccccc2)C(=O)c2ccccc2C1=O ZINC000040963259 202469493 /nfs/dbraw/zinc/46/94/93/202469493.db2.gz QACRDVRLMMZPSB-UHFFFAOYSA-O 1 0 341.390 3.642 10 30 EHEERO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1cccnc1 ZINC000328633058 564137091 /nfs/dbraw/zinc/13/70/91/564137091.db2.gz SIOKANKQOUGERB-LPHOPBHVSA-N 1 0 334.423 3.561 10 30 EHEERO C[C@@H]1CCN(C(=O)C[N+](C)(C)C2CCCC2)c2ccccc2S1 ZINC000029414226 717118333 /nfs/dbraw/zinc/11/83/33/717118333.db2.gz RBYDTJLZJDGDAD-OAHLLOKOSA-N 1 0 333.521 3.923 10 30 EHEERO Cc1ccc[n+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000182700176 1032120065 /nfs/dbraw/zinc/12/00/65/1032120065.db2.gz HDUKTVJREFPAKE-QGZVFWFLSA-N 1 0 349.376 3.665 10 30 EHEERO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000247010466 1016283593 /nfs/dbraw/zinc/28/35/93/1016283593.db2.gz LMZSWMZLWDGCLP-FUHWJXTLSA-N 1 0 342.464 3.587 10 30 EHEERO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)c(F)c1 ZINC000328723448 1022463588 /nfs/dbraw/zinc/46/35/88/1022463588.db2.gz YCBDGROVLVFOFQ-IUODEOHRSA-N 1 0 333.407 3.742 10 30 EHEERO O=C(C[C@@H]1CCCCNC1=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000328766800 1022484861 /nfs/dbraw/zinc/48/48/61/1022484861.db2.gz HHHMKJXDSBMPJJ-LSDHHAIUSA-N 1 0 349.500 3.988 10 30 EHEERO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)NC3CCCCC3)CC2)c1 ZINC000329156990 1025632137 /nfs/dbraw/zinc/63/21/37/1025632137.db2.gz WBEWUQSJQMQNHA-MRXNPFEDSA-N 1 0 332.492 3.581 10 30 EHEERO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2c1 ZINC000333850820 1138339004 /nfs/dbraw/zinc/33/90/04/1138339004.db2.gz NLOCETDJDYKQEF-IRXDYDNUSA-N 1 0 334.467 3.549 10 30 EHEERO C[NH+]=C(NCc1csc(-c2ccccc2)n1)NC1CCCCC1 ZINC000103892616 1139184971 /nfs/dbraw/zinc/18/49/71/1139184971.db2.gz PYBOCUOZIDYMLE-UHFFFAOYSA-N 1 0 328.485 3.808 10 30 EHEERO C=C(Cl)COc1c(Br)cc(C[C@@H]([NH3+])CC)cc1OC ZINC000037725012 202033370 /nfs/dbraw/zinc/03/33/70/202033370.db2.gz NOBKXCCWGJCXFH-NSHDSACASA-N 1 0 348.668 3.869 10 30 EHEERO C=C(C)COc1c(Br)cc(C[C@@H]([NH3+])CC)cc1OC ZINC000037725008 204323404 /nfs/dbraw/zinc/32/34/04/204323404.db2.gz VXBRVQOEXQCCEU-LBPRGKRZSA-N 1 0 328.250 3.692 10 30 EHEERO C=CC[NH2+]Cc1cc(Br)c(OCCC)c(OCC)c1 ZINC000020932420 518952115 /nfs/dbraw/zinc/95/21/15/518952115.db2.gz AQSJKYKCHRZHOH-UHFFFAOYSA-N 1 0 328.250 3.912 10 30 EHEERO C[C@@H](C(=O)Nc1cccc(Br)c1)[N+](C)(C)C1CCCC1 ZINC000015457867 717111630 /nfs/dbraw/zinc/11/16/30/717111630.db2.gz XHCDBJNADDFEHL-LBPRGKRZSA-O 1 0 340.285 3.795 10 30 EHEERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328682848 1022465776 /nfs/dbraw/zinc/46/57/76/1022465776.db2.gz DEMRAAWRDXAAFU-BBRMVZONSA-N 1 0 345.443 3.611 10 30 EHEERO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328694415 1022470746 /nfs/dbraw/zinc/47/07/46/1022470746.db2.gz JZHSOGORAYHBNI-AEFFLSMTSA-N 1 0 330.476 3.756 10 30 EHEERO C=C[C@H](CC(=O)NC1CCN(c2ccc(C)cn2)CC1)c1ccccc1 ZINC000135621514 1028208704 /nfs/dbraw/zinc/20/87/04/1028208704.db2.gz BSPOCJXWEUBIFG-GOSISDBHSA-N 1 0 349.478 3.835 10 30 EHEERO C=C(Br)COc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC ZINC000037722900 204320028 /nfs/dbraw/zinc/32/00/28/204320028.db2.gz OFZAJLYHFMNXID-VIFPVBQESA-N 1 0 334.641 3.526 10 30 EHEERO CCc1cc[n+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000184553124 1032294618 /nfs/dbraw/zinc/29/46/18/1032294618.db2.gz RPLRSCCYYZAETF-MRXNPFEDSA-N 1 0 335.349 3.533 10 30 EHEERO Cc1cc(C)n(-c2ccc(NC(=O)CC[N@H+]3CCCC[C@H]3C)cn2)n1 ZINC000328778191 1020888207 /nfs/dbraw/zinc/88/82/07/1020888207.db2.gz LQJFMRFONWUTIY-OAHLLOKOSA-N 1 0 341.459 3.737 10 30 EHEERO C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)[N@@H+]1CCc2ccccc2C1 ZINC000328675623 1022460245 /nfs/dbraw/zinc/46/02/45/1022460245.db2.gz QYEYPLNWPPTTBS-QAPCUYQASA-N 1 0 343.471 3.679 10 30 EHEERO O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000328685631 1022465886 /nfs/dbraw/zinc/46/58/86/1022465886.db2.gz FSJQGLFSWCYRCC-GDBMZVCRSA-N 1 0 333.476 3.639 10 30 EHEERO C=CCc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc(OC)c1O ZINC000092788643 1030522448 /nfs/dbraw/zinc/52/24/48/1030522448.db2.gz QWZHGOKITMHBCE-MRXNPFEDSA-N 1 0 344.480 3.965 10 30 EHEERO N#CCCCOc1cccc(C[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c1 ZINC000171246612 1030749722 /nfs/dbraw/zinc/74/97/22/1030749722.db2.gz KHBDIQOKQFWECK-LJQANCHMSA-N 1 0 349.434 3.585 10 30 EHEERO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)NCCC1=CCCCC1 ZINC000328722499 1022463915 /nfs/dbraw/zinc/46/39/15/1022463915.db2.gz XPYMFEWCSYDRDA-HOCLYGCPSA-N 1 0 333.476 3.853 10 30 EHEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nc1C1CCCCC1 ZINC000328786582 1022500632 /nfs/dbraw/zinc/50/06/32/1022500632.db2.gz KUORYOMLWQYPHE-QGZVFWFLSA-N 1 0 346.519 3.893 10 30 EHEERO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCCC#N ZINC000152477895 1026193717 /nfs/dbraw/zinc/19/37/17/1026193717.db2.gz QDRUQUCEIIWDSW-BBRMVZONSA-N 1 0 337.261 3.905 10 30 EHEERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000246285786 1028158569 /nfs/dbraw/zinc/15/85/69/1028158569.db2.gz OIYVNYXQACSGIA-QZTJIDSGSA-N 1 0 328.456 3.595 10 30 EHEERO CN(c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1)C1CC[NH+](C)CC1 ZINC000248841262 1028954865 /nfs/dbraw/zinc/95/48/65/1028954865.db2.gz NSKFTESFPYKJCU-SJLPKXTDSA-N 1 0 326.488 3.711 10 30 EHEERO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000155953764 1029710401 /nfs/dbraw/zinc/71/04/01/1029710401.db2.gz BHXMYXDGOAIDJT-MRXNPFEDSA-N 1 0 327.453 3.663 10 30 EHEERO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCN(C)c3ccccc32)cc1 ZINC000171563197 1030795563 /nfs/dbraw/zinc/79/55/63/1030795563.db2.gz KPGQXDIGZFRHHP-AEFFLSMTSA-N 1 0 335.451 3.691 10 30 EHEERO CN(c1ncccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000301333789 1128585621 /nfs/dbraw/zinc/58/56/21/1128585621.db2.gz MUXDUGXXOUVVGB-YOFSQIOKSA-N 1 0 332.451 3.585 10 30 EHEERO C#Cc1ccc(CN2CCC[C@H]([N@H+](CC)Cc3ccncc3)C2)cc1 ZINC000020918224 518359496 /nfs/dbraw/zinc/35/94/96/518359496.db2.gz BWLKYJPYDDNJTH-QFIPXVFZSA-N 1 0 333.479 3.549 10 30 EHEERO COc1ccc([C@H]2C/C(=N/O)[C@H](C)[C@@H](c3ccc(OC)cc3)[NH2+]2)cc1 ZINC000138295828 563999619 /nfs/dbraw/zinc/99/96/19/563999619.db2.gz OYGRPLURZDNYIE-VEBDILCHSA-N 1 0 340.423 3.946 10 30 EHEERO COc1ccc([C@H]2C/C(=N/O)[C@@H](C)[C@@H](c3ccc(OC)cc3)[NH2+]2)cc1 ZINC000138295726 563999630 /nfs/dbraw/zinc/99/96/30/563999630.db2.gz OYGRPLURZDNYIE-UFAOMZCCSA-N 1 0 340.423 3.946 10 30 EHEERO Cc1cc(NC(=O)C[N+](C)(C)C2CCCC2)ccc1Br ZINC000007760666 717105990 /nfs/dbraw/zinc/10/59/90/717105990.db2.gz IBSZPROHFGFKOJ-UHFFFAOYSA-O 1 0 340.285 3.715 10 30 EHEERO Cc1cc(Br)ccc1NC(=O)C[N+](C)(C)C1CCCC1 ZINC000007760590 717106183 /nfs/dbraw/zinc/10/61/83/717106183.db2.gz OPJCFQNGRQPFBE-UHFFFAOYSA-O 1 0 340.285 3.715 10 30 EHEERO C[N+](C)(C1CCCC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160081754 717154661 /nfs/dbraw/zinc/15/46/61/717154661.db2.gz RBPUJJYECGRGCB-MRXNPFEDSA-N 1 0 325.835 3.603 10 30 EHEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)c(F)c1 ZINC000328723449 1022464079 /nfs/dbraw/zinc/46/40/79/1022464079.db2.gz YCBDGROVLVFOFQ-SWLSCSKDSA-N 1 0 333.407 3.742 10 30 EHEERO Cc1cnn(CC2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)c1 ZINC000329106532 1025605834 /nfs/dbraw/zinc/60/58/34/1025605834.db2.gz DJJLFVSNOCPVNV-JENIJYKNSA-N 1 0 346.519 3.685 10 30 EHEERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cccc(C#N)c1 ZINC000153737399 1028675360 /nfs/dbraw/zinc/67/53/60/1028675360.db2.gz IMFXWVGWJBVBRA-WWMYMODYSA-N 1 0 334.467 3.514 10 30 EHEERO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000245457826 1028712265 /nfs/dbraw/zinc/71/22/65/1028712265.db2.gz KAISIJCEAQTJDL-WOJBJXKFSA-N 1 0 337.471 3.506 10 30 EHEERO CC1(C)C[C@H]([NH2+]Cc2ncc(-c3ccc(C#N)cc3)o2)C(C)(C)O1 ZINC000376972276 1017222301 /nfs/dbraw/zinc/22/23/01/1017222301.db2.gz PPZMISYDMXREPO-INIZCTEOSA-N 1 0 325.412 3.649 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)s1 ZINC000135076238 1020254662 /nfs/dbraw/zinc/25/46/62/1020254662.db2.gz RVGZVVOIMNIARN-NWDGAFQWSA-N 1 0 333.407 3.827 10 30 EHEERO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1C ZINC000328929283 1022547451 /nfs/dbraw/zinc/54/74/51/1022547451.db2.gz YLFXFFJELJMTHX-JNAXZKDPSA-N 1 0 343.471 3.808 10 30 EHEERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000153737488 1028674805 /nfs/dbraw/zinc/67/48/05/1028674805.db2.gz IMFXWVGWJBVBRA-FIKGOQFSSA-N 1 0 334.467 3.514 10 30 EHEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1OC ZINC000246027320 1029583215 /nfs/dbraw/zinc/58/32/15/1029583215.db2.gz OZSLOQRQVCGABU-KSZLIROESA-N 1 0 331.456 3.697 10 30 EHEERO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2C#N)sc2c1CCCC2 ZINC000329617946 1031445677 /nfs/dbraw/zinc/44/56/77/1031445677.db2.gz SUQZKSGAXLDOMU-SWLSCSKDSA-N 1 0 342.468 3.759 10 30 EHEERO CCc1cc[n+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000182055475 1032055501 /nfs/dbraw/zinc/05/55/01/1032055501.db2.gz UKOHFBXVNMODQQ-MRXNPFEDSA-N 1 0 336.242 3.821 10 30 EHEERO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC000333622257 1138312594 /nfs/dbraw/zinc/31/25/94/1138312594.db2.gz ZPYKCCBOHZAXLL-IBGZPJMESA-N 1 0 340.858 3.648 10 30 EHEERO C=C(Br)COc1c(C[C@H]([NH3+])CC)cccc1OCC ZINC000037728553 213164428 /nfs/dbraw/zinc/16/44/28/213164428.db2.gz OFUJPYVMIXOWIN-CYBMUJFWSA-N 1 0 328.250 3.653 10 30 EHEERO C=C1[C@@H](O)[C@@]23CC[C@@H]4[C@@]5(C)CCC[C@@]4([C@@H]4OCC[N@@H+]4C5)[C@@H]2C[C@@H]1CC3 ZINC000056871276 560083361 /nfs/dbraw/zinc/08/33/61/560083361.db2.gz KWVIBDAKHDJCNY-PTRUQLRHSA-N 1 0 343.511 3.578 10 30 biogenic,in-vitro EHEERO N#Cc1ccccc1Cn1cccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000187119011 1014853995 /nfs/dbraw/zinc/85/39/95/1014853995.db2.gz KKUHNASBDFFKEB-UHFFFAOYSA-N 1 0 345.450 3.511 10 30 EHEERO CC(C)[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccccc1 ZINC000328720115 1022461841 /nfs/dbraw/zinc/46/18/41/1022461841.db2.gz VXNMUIIVHGICDD-APWZRJJASA-N 1 0 343.471 3.971 10 30 EHEERO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)NC1(c2ccccc2)CCC1 ZINC000328715437 1022476115 /nfs/dbraw/zinc/47/61/15/1022476115.db2.gz SUBAMYSIPGCCSS-MRXNPFEDSA-N 1 0 341.455 3.654 10 30 EHEERO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4c(c3)COC4)CC2)cc1 ZINC000183295087 1027415790 /nfs/dbraw/zinc/41/57/90/1027415790.db2.gz OJDFTDYNSYIGKA-UHFFFAOYSA-N 1 0 333.435 3.665 10 30 EHEERO Cn1ccnc1CC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135199231 1028176009 /nfs/dbraw/zinc/17/60/09/1028176009.db2.gz OAIIEIHZIMNMQP-UHFFFAOYSA-N 1 0 336.483 3.676 10 30 EHEERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1cccc(C#N)c1 ZINC000179739726 1034587805 /nfs/dbraw/zinc/58/78/05/1034587805.db2.gz DKPHDKRBGCYYQQ-HNNXBMFYSA-N 1 0 336.439 3.599 10 30 EHEERO Cn1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000248892536 1037085503 /nfs/dbraw/zinc/08/55/03/1037085503.db2.gz SJXJDAFGLZPAHD-FUHWJXTLSA-N 1 0 343.496 3.827 10 30 EHEERO N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333847499 1138338568 /nfs/dbraw/zinc/33/85/68/1138338568.db2.gz MQMUVEDZAGIXRH-ZIAGYGMSSA-N 1 0 340.858 3.586 10 30 EHEERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)s3)CC2)nc1 ZINC000135007348 1018252163 /nfs/dbraw/zinc/25/21/63/1018252163.db2.gz KLCMMHIRWLLHKS-AWEZNQCLSA-N 1 0 326.469 3.643 10 30 EHEERO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)s1 ZINC000135076291 1020255359 /nfs/dbraw/zinc/25/53/59/1020255359.db2.gz RVGZVVOIMNIARN-NEPJUHHUSA-N 1 0 333.407 3.827 10 30 EHEERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328632892 1022451842 /nfs/dbraw/zinc/45/18/42/1022451842.db2.gz AQIBNCJBLXQEHD-XHSDSOJGSA-N 1 0 337.508 3.989 10 30 EHEERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328774182 1022485635 /nfs/dbraw/zinc/48/56/35/1022485635.db2.gz KGGWCTMMGOJHMW-CVEARBPZSA-N 1 0 337.508 3.990 10 30 EHEERO C[C@H](CNC(=O)C[C@H]1CCCCNC1=O)[N@@H+]1CCc2ccccc2C1 ZINC000328797348 1022503965 /nfs/dbraw/zinc/50/39/65/1022503965.db2.gz VSJVKFZOSSGRSN-NVXWUHKLSA-N 1 0 343.471 3.536 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000330252828 1024372311 /nfs/dbraw/zinc/37/23/11/1024372311.db2.gz INXLHAMHJDKGGP-JBCWJZNQSA-N 1 0 349.431 3.569 10 30 EHEERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000188950565 1036018256 /nfs/dbraw/zinc/01/82/56/1036018256.db2.gz VHYLHXPAYCXZNS-FQEVSTJZSA-N 1 0 335.451 3.958 10 30 EHEERO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2c1 ZINC000333850819 1138338883 /nfs/dbraw/zinc/33/88/83/1138338883.db2.gz NLOCETDJDYKQEF-IAGOWNOFSA-N 1 0 334.467 3.549 10 30 EHEERO C=C(C)COc1c(Br)cc(C[C@@H](C)[NH3+])cc1OCC ZINC000037722336 213163358 /nfs/dbraw/zinc/16/33/58/213163358.db2.gz ZAKGFVCPGKQMFC-LLVKDONJSA-N 1 0 328.250 3.692 10 30 EHEERO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000038012373 525381733 /nfs/dbraw/zinc/38/17/33/525381733.db2.gz VWWZOEOFTHJHGJ-YVEFUNNKSA-N 1 0 345.240 3.705 10 30 EHEERO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000328677868 1022464154 /nfs/dbraw/zinc/46/41/54/1022464154.db2.gz AUNMVWSKWJNLEQ-AEFFLSMTSA-N 1 0 326.444 3.814 10 30 EHEERO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)c(F)c1 ZINC000328723447 1022464623 /nfs/dbraw/zinc/46/46/23/1022464623.db2.gz YCBDGROVLVFOFQ-DOMZBBRYSA-N 1 0 333.407 3.742 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000328846767 1022513113 /nfs/dbraw/zinc/51/31/13/1022513113.db2.gz SCQIJQVSUNKAPG-RFELVIIFSA-N 1 0 335.492 3.643 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000330252829 1024372907 /nfs/dbraw/zinc/37/29/07/1024372907.db2.gz INXLHAMHJDKGGP-RJIBLYRGSA-N 1 0 349.431 3.569 10 30 EHEERO C=CCC[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000131078673 1027736326 /nfs/dbraw/zinc/73/63/26/1027736326.db2.gz BHKBGLCLLCDYQJ-FQEVSTJZSA-N 1 0 341.499 3.964 10 30 EHEERO C=CCCCC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245707318 1029082089 /nfs/dbraw/zinc/08/20/89/1029082089.db2.gz OMARUTDPTIXVDH-KBXCAEBGSA-N 1 0 338.854 3.944 10 30 EHEERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(OCC#N)cc1 ZINC000252734671 1029232289 /nfs/dbraw/zinc/23/22/89/1029232289.db2.gz YVEUPHQFIYSECN-WQANXHIZSA-N 1 0 326.440 3.587 10 30 EHEERO Cc1cnc([C@@H](C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)o1 ZINC000329291287 1030308868 /nfs/dbraw/zinc/30/88/68/1030308868.db2.gz QSZKAJPFXQKZRM-KLAILNCOSA-N 1 0 348.491 3.591 10 30 EHEERO Cc1cc(C)c2ncc(C#N)c(N3CCC([C@@H]4CCC[NH2+]4)CC3)c2c1 ZINC000333130836 1041335529 /nfs/dbraw/zinc/33/55/29/1041335529.db2.gz AXYICYMZDPWOEO-IBGZPJMESA-N 1 0 334.467 3.692 10 30 EHEERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)C1 ZINC000328752286 1129579792 /nfs/dbraw/zinc/57/97/92/1129579792.db2.gz RVAKMBCEQOEPSG-GRVMKYMCSA-N 1 0 337.467 3.572 10 30 EHEERO Cc1cc[n+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000182700116 1032120415 /nfs/dbraw/zinc/12/04/15/1032120415.db2.gz RRNUEDMKABRMKP-KRWDZBQOSA-N 1 0 349.376 3.665 10 30 EHEERO Cc1cc(C)n(-c2ccc(NC(=O)CC[N@H+]3CCCC[C@@H]3C)cn2)n1 ZINC000328778190 1020888040 /nfs/dbraw/zinc/88/80/40/1020888040.db2.gz LQJFMRFONWUTIY-HNNXBMFYSA-N 1 0 341.459 3.737 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000328717342 1022476813 /nfs/dbraw/zinc/47/68/13/1022476813.db2.gz UNGFETVINUWXTN-RFBLXINOSA-N 1 0 335.492 3.787 10 30 EHEERO C[C@H](C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328747205 1022478514 /nfs/dbraw/zinc/47/85/14/1022478514.db2.gz PZEMHIRCQOODQH-QXSJWSMHSA-N 1 0 346.519 3.713 10 30 EHEERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cc(Cl)ccc1F ZINC000330220982 1024360110 /nfs/dbraw/zinc/36/01/10/1024360110.db2.gz LFIWOGDTMJBBES-FGEZKYSXSA-N 1 0 326.799 3.613 10 30 EHEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000329180857 1025649554 /nfs/dbraw/zinc/64/95/54/1025649554.db2.gz OAEOUQXCBTYEPF-VELGLUOQSA-N 1 0 344.499 3.652 10 30 EHEERO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]2C#N)sc2c1CCCC2 ZINC000329617944 1031446389 /nfs/dbraw/zinc/44/63/89/1031446389.db2.gz SUQZKSGAXLDOMU-IUODEOHRSA-N 1 0 342.468 3.759 10 30 EHEERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1cccc(C#N)c1 ZINC000179739742 1034589375 /nfs/dbraw/zinc/58/93/75/1034589375.db2.gz DKPHDKRBGCYYQQ-OAHLLOKOSA-N 1 0 336.439 3.599 10 30 EHEERO Cc1cc(C)c(N2CC[C@H]([n+]3ccc4c(c3)CCCC4)C2=O)c(C)c1 ZINC000188672452 1035970462 /nfs/dbraw/zinc/97/04/62/1035970462.db2.gz JUOKCDDGXCSGCD-FQEVSTJZSA-N 1 0 335.471 3.756 10 30 EHEERO C=C[C@@H](C)Oc1c(Br)cc(C[C@H]([NH3+])CC)cc1OC ZINC000052144158 214120134 /nfs/dbraw/zinc/12/01/34/214120134.db2.gz ZWBQWGJRDBIQDE-ZYHUDNBSSA-N 1 0 328.250 3.691 10 30 EHEERO C=C[C@H](C)Oc1c(Br)cc(C[C@@H]([NH3+])CC)cc1OC ZINC000052144150 214120152 /nfs/dbraw/zinc/12/01/52/214120152.db2.gz ZWBQWGJRDBIQDE-JQWIXIFHSA-N 1 0 328.250 3.691 10 30 EHEERO C=C(Br)COc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC ZINC000037722901 213162928 /nfs/dbraw/zinc/16/29/28/213162928.db2.gz OFZAJLYHFMNXID-SECBINFHSA-N 1 0 334.641 3.526 10 30 EHEERO C=CCOc1ccc(C[NH2+]CCc2ccccc2OC)cc1OCC ZINC000013718951 258017229 /nfs/dbraw/zinc/01/72/29/258017229.db2.gz CMLRJYABWFHVSL-UHFFFAOYSA-N 1 0 341.451 3.991 10 30 EHEERO C[N@@H+]1CC[C@@H](CNC(=O)c2coc3ccccc23)[C@@H]1c1cccnc1 ZINC000328640928 564137109 /nfs/dbraw/zinc/13/71/09/564137109.db2.gz XPYXIZCUCGAKII-KXBFYZLASA-N 1 0 335.407 3.825 10 30 EHEERO CCc1cccc[n+]1[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000182057179 1032057823 /nfs/dbraw/zinc/05/78/23/1032057823.db2.gz HEZOEXPRIXOAMC-MRXNPFEDSA-N 1 0 336.242 3.821 10 30 EHEERO CCc1cccc[n+]1[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000182057196 1032058516 /nfs/dbraw/zinc/05/85/16/1032058516.db2.gz HEZOEXPRIXOAMC-INIZCTEOSA-N 1 0 336.242 3.821 10 30 EHEERO Cc1ccc[n+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000182700198 1032120204 /nfs/dbraw/zinc/12/02/04/1032120204.db2.gz HDUKTVJREFPAKE-KRWDZBQOSA-N 1 0 349.376 3.665 10 30 EHEERO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2c1 ZINC000333850821 1020315696 /nfs/dbraw/zinc/31/56/96/1020315696.db2.gz NLOCETDJDYKQEF-SJORKVTESA-N 1 0 334.467 3.549 10 30 EHEERO C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)[N@@H+]1CCc2ccccc2C1 ZINC000328675622 1022460212 /nfs/dbraw/zinc/46/02/12/1022460212.db2.gz QYEYPLNWPPTTBS-CRAIPNDOSA-N 1 0 343.471 3.679 10 30 EHEERO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(C#N)s1 ZINC000183360573 1027645809 /nfs/dbraw/zinc/64/58/09/1027645809.db2.gz MHWHLKMFAXQKLJ-WFASDCNBSA-N 1 0 343.427 3.605 10 30 EHEERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000245844869 1029372344 /nfs/dbraw/zinc/37/23/44/1029372344.db2.gz FJNARJHFJRRAJT-NDXORKPFSA-N 1 0 335.451 3.685 10 30 EHEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)ccc1OC ZINC000246027324 1029584209 /nfs/dbraw/zinc/58/42/09/1029584209.db2.gz OZSLOQRQVCGABU-RCCFBDPRSA-N 1 0 331.456 3.697 10 30 EHEERO CCCCCCCCCC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000124309049 1038168916 /nfs/dbraw/zinc/16/89/16/1038168916.db2.gz KUIQJIWCNOGZQY-GOSISDBHSA-N 1 0 338.536 3.839 10 30 EHEERO C=CCc1cc(C[NH2+]Cc2ccc3c[nH]nc3c2)cc(OC)c1OC ZINC000105477932 1135948477 /nfs/dbraw/zinc/94/84/77/1135948477.db2.gz VIBAWBLTLPPKJC-UHFFFAOYSA-N 1 0 337.423 3.598 10 30 EHEERO N#Cc1ccccc1Cn1c2ccccc2nc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000095077400 218273810 /nfs/dbraw/zinc/27/38/10/218273810.db2.gz MNXHPNUARNMQHE-ZWKOTPCHSA-N 1 0 345.450 3.638 10 30 EHEERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(C#N)s1 ZINC000135082635 1020264672 /nfs/dbraw/zinc/26/46/72/1020264672.db2.gz DTEVTFYXMXQOHW-RYUDHWBXSA-N 1 0 332.860 3.598 10 30 EHEERO CC(C)[C@H](NC(=O)C[NH2+][C@H]1CCC(=O)NC12CCC2)c1ccccc1 ZINC000328720117 1022462113 /nfs/dbraw/zinc/46/21/13/1022462113.db2.gz VXNMUIIVHGICDD-LPHOPBHVSA-N 1 0 343.471 3.971 10 30 EHEERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328682851 1022466290 /nfs/dbraw/zinc/46/62/90/1022466290.db2.gz DEMRAAWRDXAAFU-XJKSGUPXSA-N 1 0 345.443 3.611 10 30 EHEERO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)c1 ZINC000328712441 1022474925 /nfs/dbraw/zinc/47/49/25/1022474925.db2.gz RSDBVLVYYITHKX-ZBFHGGJFSA-N 1 0 329.444 3.911 10 30 EHEERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328774183 1022485611 /nfs/dbraw/zinc/48/56/11/1022485611.db2.gz KGGWCTMMGOJHMW-HZPDHXFCSA-N 1 0 337.508 3.990 10 30 EHEERO CC[C@@H]1CCN1CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000330266006 1024377235 /nfs/dbraw/zinc/37/72/35/1024377235.db2.gz HJJQUXYFZVMGPW-OXQOHEQNSA-N 1 0 346.471 3.986 10 30 EHEERO C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)C1=CC[N@H+](C)CC1 ZINC000329325052 1025754114 /nfs/dbraw/zinc/75/41/14/1025754114.db2.gz VXLOWJLNFLBOEU-BLLLJJGKSA-N 1 0 345.468 3.746 10 30 EHEERO C#CCOc1ccc([C@@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167952569 1026620345 /nfs/dbraw/zinc/62/03/45/1026620345.db2.gz YAWVJAKQMBHUJV-CRAIPNDOSA-N 1 0 338.455 3.599 10 30 EHEERO O=C1[C@H]([n+]2ccc3c(c2)CCCC3)CCN1c1ccc(Cl)c(F)c1 ZINC000160082307 1030528403 /nfs/dbraw/zinc/52/84/03/1030528403.db2.gz QSHCWYXCGXSSLF-GOSISDBHSA-N 1 0 345.825 3.623 10 30 EHEERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccc(C#N)s1 ZINC000179741291 1034587530 /nfs/dbraw/zinc/58/75/30/1034587530.db2.gz XCNBBYNRFNYAPX-ZDUSSCGKSA-N 1 0 342.468 3.661 10 30 EHEERO [NH2+]=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249942088 1036676415 /nfs/dbraw/zinc/67/64/15/1036676415.db2.gz TUZRYSNAGUAWGV-IPMKNSEASA-N 1 0 337.423 3.773 10 30 EHEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000106276100 1037318747 /nfs/dbraw/zinc/31/87/47/1037318747.db2.gz QTUNGOVOHWJPAR-UHFFFAOYSA-N 1 0 339.483 3.526 10 30 EHEERO C#CC[NH+]1CCC(C(=O)N(CCCC)Cc2ccccc2Cl)CC1 ZINC000102613761 1135603756 /nfs/dbraw/zinc/60/37/56/1135603756.db2.gz RHGDYXGSROFNGI-UHFFFAOYSA-N 1 0 346.902 3.814 10 30 EHEERO N#Cc1ccccc1Cn1c2ccccc2nc1NC1CCC([NH3+])CC1 ZINC000095077200 218273978 /nfs/dbraw/zinc/27/39/78/218273978.db2.gz WRWBCVLMHSKTQU-UHFFFAOYSA-N 1 0 345.450 3.638 10 30 EHEERO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1ccc(Cl)cn1 ZINC000072440634 564063861 /nfs/dbraw/zinc/06/38/61/564063861.db2.gz RLJDQVVJEAGUMG-QGZVFWFLSA-N 1 0 331.847 3.976 10 30 EHEERO C[C@@H](C(=O)Nc1ccccc1Br)[N+](C)(C)C1CCCC1 ZINC000029415045 717118787 /nfs/dbraw/zinc/11/87/87/717118787.db2.gz NCPIANRCYJBAGT-LBPRGKRZSA-O 1 0 340.285 3.795 10 30 EHEERO O=C(C[C@@H]1CCCCNC1=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000328797530 1022504755 /nfs/dbraw/zinc/50/47/55/1022504755.db2.gz VWEDHMGWKMXDPQ-ZWKOTPCHSA-N 1 0 343.471 3.927 10 30 EHEERO C[C@H](NC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000190090147 1023252997 /nfs/dbraw/zinc/25/29/97/1023252997.db2.gz XFPDLRNTOAVQIX-ZEQHWRKHSA-N 1 0 342.270 3.526 10 30 EHEERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000330252826 1024373752 /nfs/dbraw/zinc/37/37/52/1024373752.db2.gz INXLHAMHJDKGGP-DYQSUWPFSA-N 1 0 349.431 3.569 10 30 EHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000329183831 1025650719 /nfs/dbraw/zinc/65/07/19/1025650719.db2.gz PNZXLXHDSAFISQ-CZUORRHYSA-N 1 0 327.428 3.735 10 30 EHEERO C=C[C@@H](CC(=O)NC1CCN(c2ccc(C)cn2)CC1)c1ccccc1 ZINC000135621540 1028208780 /nfs/dbraw/zinc/20/87/80/1028208780.db2.gz BSPOCJXWEUBIFG-SFHVURJKSA-N 1 0 349.478 3.835 10 30 EHEERO N#Cc1cnc2ccc(Cl)cc2c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333536415 1138301859 /nfs/dbraw/zinc/30/18/59/1138301859.db2.gz NCAJVKLXAAGWFV-KRWDZBQOSA-N 1 0 340.858 3.728 10 30 EHEERO C=C(Br)COc1c(Cl)cc(C[C@H]([NH3+])CC)cc1OC ZINC000037723063 213162999 /nfs/dbraw/zinc/16/29/99/213162999.db2.gz BYJAAEFPPANPFE-LLVKDONJSA-N 1 0 348.668 3.916 10 30 EHEERO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000038012372 525495797 /nfs/dbraw/zinc/49/57/97/525495797.db2.gz VWWZOEOFTHJHGJ-PXAZEXFGSA-N 1 0 345.240 3.705 10 30 EHEERO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1F ZINC000328634528 564137075 /nfs/dbraw/zinc/13/70/75/564137075.db2.gz UCMUZISDXWWHOI-YJBOKZPZSA-N 1 0 327.403 3.527 10 30 EHEERO C#CCOc1ccccc1C[NH2+]C1CCN(c2cccs2)CC1 ZINC000154203218 1029058400 /nfs/dbraw/zinc/05/84/00/1029058400.db2.gz LUMGBGQWXHANRZ-UHFFFAOYSA-N 1 0 326.465 3.519 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000245844862 1029371152 /nfs/dbraw/zinc/37/11/52/1029371152.db2.gz FJNARJHFJRRAJT-DQLDELGASA-N 1 0 335.451 3.685 10 30 EHEERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000180148695 1035845497 /nfs/dbraw/zinc/84/54/97/1035845497.db2.gz PWICMMZUTCICLE-ZDUSSCGKSA-N 1 0 328.437 3.626 10 30 EHEERO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000192376714 1036500656 /nfs/dbraw/zinc/50/06/56/1036500656.db2.gz QKJZYHPDGVJXLC-LRQRDZAKSA-N 1 0 336.435 3.845 10 30 EHEERO N#CC1(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CCC1 ZINC000333716437 1138324392 /nfs/dbraw/zinc/32/43/92/1138324392.db2.gz QPHVBTBHAOCQBG-MRXNPFEDSA-N 1 0 327.476 3.726 10 30 EHEERO C=C(C)CN(CC)c1ncc(Br)cc1C[NH2+]C(C)C ZINC000051437145 214093236 /nfs/dbraw/zinc/09/32/36/214093236.db2.gz OWMRZGFFGZQSCS-UHFFFAOYSA-N 1 0 326.282 3.745 10 30 EHEERO C=C[C@H](C)Oc1c(Br)cc(C[C@@H](C)[NH3+])cc1OCC ZINC000052144007 214119697 /nfs/dbraw/zinc/11/96/97/214119697.db2.gz SQAJHDQJEZWGTE-MNOVXSKESA-N 1 0 328.250 3.691 10 30 EHEERO C=CCC[C@@H](C[NH+](C)C)Oc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000072481501 216262021 /nfs/dbraw/zinc/26/20/21/216262021.db2.gz MWRXKYOOZJWWKQ-LBPRGKRZSA-N 1 0 343.393 3.649 10 30 EHEERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1cccnc1 ZINC000328632145 564137082 /nfs/dbraw/zinc/13/70/82/564137082.db2.gz RQLCWKWMFVRKFH-HKUYNNGSSA-N 1 0 334.423 3.561 10 30 EHEERO C[N+](C)(CC(=O)Nc1ccccc1SC(F)F)C1CCCC1 ZINC000029414460 717118950 /nfs/dbraw/zinc/11/89/50/717118950.db2.gz MHZJBBHEHDWQAS-UHFFFAOYSA-O 1 0 329.436 3.959 10 30 EHEERO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)s1 ZINC000135076254 1020255281 /nfs/dbraw/zinc/25/52/81/1020255281.db2.gz RVGZVVOIMNIARN-VXGBXAGGSA-N 1 0 333.407 3.827 10 30 EHEERO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000328966861 1022555840 /nfs/dbraw/zinc/55/58/40/1022555840.db2.gz NDGDFVYCFXBMPO-LMMKCTJWSA-N 1 0 349.434 3.816 10 30 EHEERO Cc1cnn([C@@H]2CCCN(CC(=O)Nc3ccc(C)cc3F)C2)c1 ZINC000329108120 1025605511 /nfs/dbraw/zinc/60/55/11/1025605511.db2.gz FENMQGMKUBTNIO-OAHLLOKOSA-N 1 0 330.407 3.564 10 30 EHEERO N#CCSCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000174159626 1031171550 /nfs/dbraw/zinc/17/15/50/1031171550.db2.gz DXYFDCSZLZQPRM-QGZVFWFLSA-N 1 0 340.496 3.903 10 30 EHEERO Cc1cc(C)c2ncc(C#N)c(N3CCC([C@H]4CCC[NH2+]4)CC3)c2c1 ZINC000333130837 1041333827 /nfs/dbraw/zinc/33/38/27/1041333827.db2.gz AXYICYMZDPWOEO-LJQANCHMSA-N 1 0 334.467 3.692 10 30 EHEERO C[N+](C)(C1CCCC1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000184553774 717157735 /nfs/dbraw/zinc/15/77/35/717157735.db2.gz AARZIVHPUUXSOC-INIZCTEOSA-N 1 0 341.397 3.830 10 30 EHEERO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)s1 ZINC000135076273 1020255782 /nfs/dbraw/zinc/25/57/82/1020255782.db2.gz RVGZVVOIMNIARN-RYUDHWBXSA-N 1 0 333.407 3.827 10 30 EHEERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cc(Cl)ccc1F ZINC000330220981 1024361773 /nfs/dbraw/zinc/36/17/73/1024361773.db2.gz LFIWOGDTMJBBES-DYQSUWPFSA-N 1 0 326.799 3.613 10 30 EHEERO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329055107 1025581631 /nfs/dbraw/zinc/58/16/31/1025581631.db2.gz SHCUMFIOHYHDHL-DGCLKSJQSA-N 1 0 344.390 3.552 10 30 EHEERO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)NCC3CCCCC3)CC2)c1 ZINC000329131527 1025619863 /nfs/dbraw/zinc/61/98/63/1025619863.db2.gz AGOOXHIISLHUJD-QGZVFWFLSA-N 1 0 346.519 3.829 10 30 EHEERO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000329484355 1025911059 /nfs/dbraw/zinc/91/10/59/1025911059.db2.gz FOIBHSMKNOYQLW-JENIJYKNSA-N 1 0 331.460 3.523 10 30 EHEERO C=C(C)COc1cc(CN2CCC([NH+]3CCCC3)CC2)ccc1OC ZINC000127779891 1027352311 /nfs/dbraw/zinc/35/23/11/1027352311.db2.gz GGTGQBITTXLDNX-UHFFFAOYSA-N 1 0 344.499 3.710 10 30 EHEERO C[C@H](NC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000249968327 1036677858 /nfs/dbraw/zinc/67/78/58/1036677858.db2.gz XFPDLRNTOAVQIX-GGZSPTBLSA-N 1 0 342.270 3.526 10 30 EHEERO COc1ccccc1C(=O)ONC(=[NH2+])Cc1cccc2ccccc21 ZINC000018325125 524361113 /nfs/dbraw/zinc/36/11/13/524361113.db2.gz JQINXLFRYGCJDZ-UHFFFAOYSA-N 1 0 334.375 3.520 10 30 EHEERO C=CCOc1c(Cl)cc(C[NH2+]CCCOC(C)C)cc1OC ZINC000013721972 564073968 /nfs/dbraw/zinc/07/39/68/564073968.db2.gz ZDGUGECGONTMQY-UHFFFAOYSA-N 1 0 327.852 3.818 10 30 EHEERO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000189749076 1016706228 /nfs/dbraw/zinc/70/62/28/1016706228.db2.gz NITWLGWDOCJOQW-LJQANCHMSA-N 1 0 345.450 3.511 10 30 EHEERO C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000328615514 1022448958 /nfs/dbraw/zinc/44/89/58/1022448958.db2.gz RUEJGPOIRBQVPS-QKYXUNIQSA-N 1 0 338.455 3.730 10 30 EHEERO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)c1 ZINC000328712435 1022473992 /nfs/dbraw/zinc/47/39/92/1022473992.db2.gz RSDBVLVYYITHKX-GDBMZVCRSA-N 1 0 329.444 3.911 10 30 EHEERO CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccccc1 ZINC000328743138 1022478841 /nfs/dbraw/zinc/47/88/41/1022478841.db2.gz NFBNUOSUGZGDBD-WBVHZDCISA-N 1 0 329.444 3.678 10 30 EHEERO CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330285912 1024385336 /nfs/dbraw/zinc/38/53/36/1024385336.db2.gz ZKNAGXRKUCBGPI-KZUMUSTHSA-N 1 0 333.476 3.699 10 30 EHEERO CC[C@@H]1CCN1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000330284767 1024385382 /nfs/dbraw/zinc/38/53/82/1024385382.db2.gz XZAIYHBSRQWEPX-MRXNPFEDSA-N 1 0 344.455 3.668 10 30 EHEERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CC(C)(C)CCC#N)C1 ZINC000245702447 1029050156 /nfs/dbraw/zinc/05/01/56/1029050156.db2.gz BPURCWSEIPWRFE-ZWKOTPCHSA-N 1 0 328.456 3.595 10 30 EHEERO C=C[C@H](C)Oc1c(Br)cc(C[NH2+]C(C)C)cc1OC ZINC000052141724 214119607 /nfs/dbraw/zinc/11/96/07/214119607.db2.gz JVFAFSXJKFXBPW-NSHDSACASA-N 1 0 328.250 3.909 10 30 EHEERO C=C(Br)COc1cc(OCCC)ccc1C[C@@H](C)[NH3+] ZINC000037722164 213162790 /nfs/dbraw/zinc/16/27/90/213162790.db2.gz INXIGTQOQTXBBL-GFCCVEGCSA-N 1 0 328.250 3.653 10 30 EHEERO C=CCC[C@H](C[NH+](C)C)Oc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000072481500 216262015 /nfs/dbraw/zinc/26/20/15/216262015.db2.gz MWRXKYOOZJWWKQ-GFCCVEGCSA-N 1 0 343.393 3.649 10 30 EHEERO Cc1cscc1NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328625911 564137015 /nfs/dbraw/zinc/13/70/15/564137015.db2.gz LCRSKKVNJXSFGG-RDJZCZTQSA-N 1 0 344.484 3.622 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000247252688 1019067417 /nfs/dbraw/zinc/06/74/17/1019067417.db2.gz ZTLMUJVCGJMGMM-LLGFUMIMSA-N 1 0 334.467 3.514 10 30 EHEERO O=C(C[NH2+][C@H]1CCC(=O)NC12CCC2)NC1(c2ccccc2)CCC1 ZINC000328715436 1022476112 /nfs/dbraw/zinc/47/61/12/1022476112.db2.gz SUBAMYSIPGCCSS-INIZCTEOSA-N 1 0 341.455 3.654 10 30 EHEERO C[C@H](NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc2c(c1)CCCC2 ZINC000330203982 1024352706 /nfs/dbraw/zinc/35/27/06/1024352706.db2.gz BFYYLLGTOGISMP-UQIDSAAFSA-N 1 0 342.483 3.740 10 30 EHEERO Cc1nccc(NC(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000329319104 1030398997 /nfs/dbraw/zinc/39/89/97/1030398997.db2.gz FWYQQIBDZVBLQF-XLIONFOSSA-N 1 0 336.439 3.675 10 30 EHEERO Cc1cc(C)c2ncc(C#N)c(N3CCC([C@@H]4CC[NH2+]C4)CC3)c2c1 ZINC000333513811 1138298833 /nfs/dbraw/zinc/29/88/33/1138298833.db2.gz JLYTZBVXEIBXJV-QGZVFWFLSA-N 1 0 334.467 3.549 10 30 EHEERO Cc1cc[n+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000182700104 1032121230 /nfs/dbraw/zinc/12/12/30/1032121230.db2.gz RRNUEDMKABRMKP-QGZVFWFLSA-N 1 0 349.376 3.665 10 30 EHEERO CC1(C)C[C@@H]([NH2+]Cc2ncc(-c3ccc(C#N)cc3)o2)C(C)(C)O1 ZINC000376972277 1017223563 /nfs/dbraw/zinc/22/35/63/1017223563.db2.gz PPZMISYDMXREPO-MRXNPFEDSA-N 1 0 325.412 3.649 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1c(F)cccc1F ZINC000328702625 1022471862 /nfs/dbraw/zinc/47/18/62/1022471862.db2.gz NWWIZALGBCCZNI-GXFFZTMASA-N 1 0 337.370 3.573 10 30 EHEERO CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC(=O)NC12CCC2)c1ccccc1 ZINC000328743137 1022479040 /nfs/dbraw/zinc/47/90/40/1022479040.db2.gz NFBNUOSUGZGDBD-RDJZCZTQSA-N 1 0 329.444 3.678 10 30 EHEERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000186088544 1024710235 /nfs/dbraw/zinc/71/02/35/1024710235.db2.gz TXXXAUKUFYOZGW-INIZCTEOSA-N 1 0 342.487 3.874 10 30 EHEERO C=CCC[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000189057123 1036010030 /nfs/dbraw/zinc/01/00/30/1036010030.db2.gz MTFBLRUINFUCOP-HXUWFJFHSA-N 1 0 326.484 3.823 10 30 EHEERO CCCCCCCCCC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000124309274 1038168357 /nfs/dbraw/zinc/16/83/57/1038168357.db2.gz KUIQJIWCNOGZQY-SFHVURJKSA-N 1 0 338.536 3.839 10 30 EHEERO CSc1nc2c(c(-c3ccccc3Cl)c1C#N)C[N@H+](C)CC2 ZINC000040570040 213352057 /nfs/dbraw/zinc/35/20/57/213352057.db2.gz FRQDBMFCOLPUNC-UHFFFAOYSA-N 1 0 329.856 3.983 10 30 EHEERO N#Cc1ccc(Cn2c3ccccc3nc2N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000095077385 218274102 /nfs/dbraw/zinc/27/41/02/218274102.db2.gz RLOQUZRGQGNDJX-ROUUACIJSA-N 1 0 345.450 3.638 10 30 EHEERO C[N+](C)(CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCC1 ZINC000024155856 717113611 /nfs/dbraw/zinc/11/36/11/717113611.db2.gz DVFINALERYPFPN-UHFFFAOYSA-O 1 0 329.436 3.959 10 30 EHEERO C[C@H](C(=O)NC1CC1)[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000328689389 1022467916 /nfs/dbraw/zinc/46/79/16/1022467916.db2.gz IAONARRCMCSSJZ-SJKOYZFVSA-N 1 0 327.428 3.591 10 30 EHEERO CC(C)C1([NH2+]CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000328881692 1022524947 /nfs/dbraw/zinc/52/49/47/1022524947.db2.gz WPPFMQBHSLCGSM-UHFFFAOYSA-N 1 0 333.476 3.604 10 30 EHEERO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000329200921 1025662700 /nfs/dbraw/zinc/66/27/00/1025662700.db2.gz XNLDIOYNFSVBMQ-YQVWRLOYSA-N 1 0 346.519 3.827 10 30 EHEERO O=C1[C@H]([n+]2ccc3ccccc3c2)CCN1c1ccc(Cl)c(F)c1 ZINC000160077272 1030510728 /nfs/dbraw/zinc/51/07/28/1030510728.db2.gz TVBMUBKIFQXSCC-GOSISDBHSA-N 1 0 341.793 3.898 10 30 EHEERO CCc1ccsc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328635167 564137123 /nfs/dbraw/zinc/13/71/23/564137123.db2.gz UPQJXDQELXBNFY-HOTGVXAUSA-N 1 0 329.469 3.703 10 30 EHEERO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(C#N)s1 ZINC000134813815 1015822636 /nfs/dbraw/zinc/82/26/36/1015822636.db2.gz ZHKFARRRUJGULT-GFCCVEGCSA-N 1 0 326.400 3.795 10 30 EHEERO C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000328672205 1022459569 /nfs/dbraw/zinc/45/95/69/1022459569.db2.gz OAWZYCRXBUEGPE-XHSDSOJGSA-N 1 0 335.492 3.885 10 30 EHEERO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](c3nccn3C)C2)c2ccccc21 ZINC000328869701 1022523168 /nfs/dbraw/zinc/52/31/68/1022523168.db2.gz PFOAAINQUZBLJK-RKVPGOIHSA-N 1 0 338.455 3.762 10 30 EHEERO N#Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@@H]2C#N)sc2c1CCCC2 ZINC000329617929 1031445604 /nfs/dbraw/zinc/44/56/04/1031445604.db2.gz SUQZKSGAXLDOMU-DOMZBBRYSA-N 1 0 342.468 3.759 10 30 EHEERO Cc1cc(C#N)cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000588001142 1035665601 /nfs/dbraw/zinc/66/56/01/1035665601.db2.gz WHFQJIQXXDNHAI-SFTDATJTSA-N 1 0 346.478 3.753 10 30 EHEERO COc1cc(C#N)ccc1C[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000120767713 1022115862 /nfs/dbraw/zinc/11/58/62/1022115862.db2.gz MFEHYCYGWIJJDY-UHFFFAOYSA-N 1 0 327.453 3.711 10 30 EHEERO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)c1 ZINC000328712439 1022474627 /nfs/dbraw/zinc/47/46/27/1022474627.db2.gz RSDBVLVYYITHKX-GOEBONIOSA-N 1 0 329.444 3.911 10 30 EHEERO C[C@@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180019755 1031831759 /nfs/dbraw/zinc/83/17/59/1031831759.db2.gz GCLZHIGASDKQFW-SJLPKXTDSA-N 1 0 335.451 3.863 10 30 EHEERO N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333847498 1138338564 /nfs/dbraw/zinc/33/85/64/1138338564.db2.gz MQMUVEDZAGIXRH-UONOGXRCSA-N 1 0 340.858 3.586 10 30 EHEERO N#Cc1ccc(Cn2c3ccccc3nc2N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000095077386 218274150 /nfs/dbraw/zinc/27/41/50/218274150.db2.gz RLOQUZRGQGNDJX-QZTJIDSGSA-N 1 0 345.450 3.638 10 30 EHEERO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1 ZINC000029415860 717119437 /nfs/dbraw/zinc/11/94/37/717119437.db2.gz RRPHUBVCTPINRQ-HNNXBMFYSA-O 1 0 347.479 3.598 10 30 EHEERO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000328677871 1022464349 /nfs/dbraw/zinc/46/43/49/1022464349.db2.gz AUNMVWSKWJNLEQ-WMZOPIPTSA-N 1 0 326.444 3.814 10 30 EHEERO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CCC(=O)NC23CCC3)cc1 ZINC000328715493 1022476682 /nfs/dbraw/zinc/47/66/82/1022476682.db2.gz SWAJDCSLPAUGAH-YOEHRIQHSA-N 1 0 343.471 3.898 10 30 EHEERO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185892098 1024693634 /nfs/dbraw/zinc/69/36/34/1024693634.db2.gz VQLJNBPNCGHGLC-LEWSCRJBSA-N 1 0 328.382 3.795 10 30 EHEERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000329518336 1025944155 /nfs/dbraw/zinc/94/41/55/1025944155.db2.gz ZHXZPGHNGNAILW-CZUORRHYSA-N 1 0 347.484 3.970 10 30 EHEERO COc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1 ZINC000262779208 1029632805 /nfs/dbraw/zinc/63/28/05/1029632805.db2.gz ISPKPADRNPBISG-YGUOUDRMSA-N 1 0 331.366 3.646 10 30 EHEERO N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333847495 1138338480 /nfs/dbraw/zinc/33/84/80/1138338480.db2.gz MQMUVEDZAGIXRH-KBPBESRZSA-N 1 0 340.858 3.586 10 30 EHEERO C=C[C@@H](C)Oc1c(Br)cc(C[NH2+]C(C)C)cc1OC ZINC000052141727 214119375 /nfs/dbraw/zinc/11/93/75/214119375.db2.gz JVFAFSXJKFXBPW-LLVKDONJSA-N 1 0 328.250 3.909 10 30 EHEERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(C#N)s1 ZINC000134966171 1017889068 /nfs/dbraw/zinc/88/90/68/1017889068.db2.gz BCYYUWMTNKHGPP-VKJFTORMSA-N 1 0 340.496 3.576 10 30 EHEERO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329055109 1025581817 /nfs/dbraw/zinc/58/18/17/1025581817.db2.gz SHCUMFIOHYHDHL-YPMHNXCESA-N 1 0 344.390 3.552 10 30 EHEERO O=C1[C@@H]([n+]2ccc3ccccc3c2)CCN1c1ccc(Cl)c(F)c1 ZINC000160077437 1030528615 /nfs/dbraw/zinc/52/86/15/1030528615.db2.gz TVBMUBKIFQXSCC-SFHVURJKSA-N 1 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523957047 /nfs/dbraw/zinc/95/70/47/523957047.db2.gz YNRQFRBIAAYZTL-LPHOPBHVSA-N 1 0 335.407 3.825 10 30 EHEERO COc1ccc(C(=O)C[n+]2ccc(-c3ccccc3Cl)nc2)cc1 ZINC000048523517 564129281 /nfs/dbraw/zinc/12/92/81/564129281.db2.gz UPRFZQDSQKSUMQ-UHFFFAOYSA-N 1 0 339.802 3.581 10 30 EHEERO CCCCOC(=O)c1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1 ZINC000007760316 717106168 /nfs/dbraw/zinc/10/61/68/717106168.db2.gz WPRPQQIVJUQKSC-UHFFFAOYSA-O 1 0 347.479 3.601 10 30 EHEERO C[N+](C)(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCC1 ZINC000029413879 717118318 /nfs/dbraw/zinc/11/83/18/717118318.db2.gz YILKYYVYSQHTCU-UHFFFAOYSA-O 1 0 347.813 3.899 10 30 EHEERO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000247010491 1016284003 /nfs/dbraw/zinc/28/40/03/1016284003.db2.gz LMZSWMZLWDGCLP-SJLPKXTDSA-N 1 0 342.464 3.587 10 30 EHEERO CCc1ccc(C)[n+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC000184553395 1032295266 /nfs/dbraw/zinc/29/52/66/1032295266.db2.gz KDFKMPLONLDQNY-QGZVFWFLSA-N 1 0 349.376 3.842 10 30 EHEERO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000328677870 1022464212 /nfs/dbraw/zinc/46/42/12/1022464212.db2.gz AUNMVWSKWJNLEQ-SJLPKXTDSA-N 1 0 326.444 3.814 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000328717343 1022476916 /nfs/dbraw/zinc/47/69/16/1022476916.db2.gz UNGFETVINUWXTN-ZVDSWSACSA-N 1 0 335.492 3.787 10 30 EHEERO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1 ZINC000246746997 1028687227 /nfs/dbraw/zinc/68/72/27/1028687227.db2.gz HADVCRHDWUKLAS-BDTNDASRSA-N 1 0 331.463 3.712 10 30 EHEERO C=C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccccc1 ZINC000248041791 1028844272 /nfs/dbraw/zinc/84/42/72/1028844272.db2.gz MCDINGORCSDRCD-SXLOBPIMSA-N 1 0 326.484 3.820 10 30 EHEERO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000154181959 1029052816 /nfs/dbraw/zinc/05/28/16/1029052816.db2.gz FZLUVPTVWHABGK-OAHLLOKOSA-N 1 0 341.480 3.798 10 30 EHEERO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000155953656 1029709891 /nfs/dbraw/zinc/70/98/91/1029709891.db2.gz BHXMYXDGOAIDJT-INIZCTEOSA-N 1 0 327.453 3.663 10 30 EHEERO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248912940 1036272910 /nfs/dbraw/zinc/27/29/10/1036272910.db2.gz VQLJNBPNCGHGLC-ZLKJLUDKSA-N 1 0 328.382 3.795 10 30 EHEERO CCC(C)N=Nc1nc2ccc(N3CC[NH+](CC)CC3)cc2s1 ZINC000078575847 563970583 /nfs/dbraw/zinc/97/05/83/563970583.db2.gz QLAJXVRIERXFFK-CPNJWEJPSA-N 1 0 331.489 3.636 10 30 EHEERO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329055108 1025581260 /nfs/dbraw/zinc/58/12/60/1025581260.db2.gz SHCUMFIOHYHDHL-WCQYABFASA-N 1 0 344.390 3.552 10 30 EHEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000329180855 1025648833 /nfs/dbraw/zinc/64/88/33/1025648833.db2.gz OAEOUQXCBTYEPF-RBAQFSTRSA-N 1 0 344.499 3.652 10 30 EHEERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(OCC#N)cc1 ZINC000252734670 1029231745 /nfs/dbraw/zinc/23/17/45/1029231745.db2.gz YVEUPHQFIYSECN-PIKADFDJSA-N 1 0 326.440 3.587 10 30 EHEERO C#CCCOc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)cc1 ZINC000189960158 1036166816 /nfs/dbraw/zinc/16/68/16/1036166816.db2.gz KMJCKYUZVVFXRA-UHFFFAOYSA-N 1 0 341.480 3.622 10 30 EHEERO Cc1cccc(NC(=[NH2+])NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000104154275 1139196143 /nfs/dbraw/zinc/19/61/43/1139196143.db2.gz OMXXCPUZYUYTHP-QGZVFWFLSA-N 1 0 326.444 3.542 10 30 EHEERO CCSc1nc2c(c(-c3cccc(OC)c3)c1C#N)C[N@H+](C)CC2 ZINC000040569963 213352783 /nfs/dbraw/zinc/35/27/83/213352783.db2.gz BUSUOHDWCZTINI-UHFFFAOYSA-N 1 0 339.464 3.729 10 30 EHEERO C=C(Cl)COc1c(Br)cc(C[C@H]([NH3+])CC)cc1OC ZINC000037725013 213162858 /nfs/dbraw/zinc/16/28/58/213162858.db2.gz NOBKXCCWGJCXFH-LLVKDONJSA-N 1 0 348.668 3.869 10 30 EHEERO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000038012371 525409653 /nfs/dbraw/zinc/40/96/53/525409653.db2.gz VWWZOEOFTHJHGJ-SJCJKPOMSA-N 1 0 345.240 3.705 10 30 EHEERO C=CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccc(OC)c(OC)c1 ZINC000036095744 564096015 /nfs/dbraw/zinc/09/60/15/564096015.db2.gz IGVXQDFUFCCSAD-KRWDZBQOSA-N 1 0 345.439 3.626 10 30 EHEERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328786334 1022499969 /nfs/dbraw/zinc/49/99/69/1022499969.db2.gz OOPZARJPLWLAHI-XHSDSOJGSA-N 1 0 337.508 3.846 10 30 EHEERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000330252827 1024372394 /nfs/dbraw/zinc/37/23/94/1024372394.db2.gz INXLHAMHJDKGGP-FGEZKYSXSA-N 1 0 349.431 3.569 10 30 EHEERO C=CCCCC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245707321 1029081700 /nfs/dbraw/zinc/08/17/00/1029081700.db2.gz OMARUTDPTIXVDH-RDTXWAMCSA-N 1 0 338.854 3.944 10 30 EHEERO Cc1cnc([C@@H](C)NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)o1 ZINC000329273977 1030214039 /nfs/dbraw/zinc/21/40/39/1030214039.db2.gz JDXOICSECDOCMO-MRXNPFEDSA-N 1 0 348.491 3.546 10 30 EHEERO Cc1cnc([C@H](C)NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)o1 ZINC000329273976 1030215255 /nfs/dbraw/zinc/21/52/55/1030215255.db2.gz JDXOICSECDOCMO-INIZCTEOSA-N 1 0 348.491 3.546 10 30 EHEERO C[C@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180019709 1031830458 /nfs/dbraw/zinc/83/04/58/1031830458.db2.gz GCLZHIGASDKQFW-WMZOPIPTSA-N 1 0 335.451 3.863 10 30 EHEERO CCc1cc[n+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000188671281 1035969585 /nfs/dbraw/zinc/96/95/85/1035969585.db2.gz GYYFCWXPKVHAAA-MRXNPFEDSA-N 1 0 336.242 3.821 10 30 EHEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)C1 ZINC000328752287 1129579666 /nfs/dbraw/zinc/57/96/66/1129579666.db2.gz RVAKMBCEQOEPSG-UCKNYWNBSA-N 1 0 337.467 3.572 10 30 EHEERO N#CCC[P+](CCC#N)(CCC#N)Cc1cc(C#N)cc(C#N)c1 ZINC000004277443 210160295 /nfs/dbraw/zinc/16/02/95/210160295.db2.gz PLXKZQNCINPUTA-UHFFFAOYSA-N 1 0 334.343 3.689 10 30 EHEERO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328682850 1022465479 /nfs/dbraw/zinc/46/54/79/1022465479.db2.gz DEMRAAWRDXAAFU-CZUORRHYSA-N 1 0 345.443 3.611 10 30 EHEERO CC(C)C[C@@H]1C(=O)NCCCN1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000328790427 1022501370 /nfs/dbraw/zinc/50/13/70/1022501370.db2.gz QHZNVXMCZRWWHT-MWDXBVQZSA-N 1 0 337.508 3.845 10 30 EHEERO CC1(C)CN(C(=O)NC[C@@H]2CCc3nccn3C2)[C@@H]1c1cccs1 ZINC000329339809 1025763378 /nfs/dbraw/zinc/76/33/78/1025763378.db2.gz REQJFFCASARUKA-XJKSGUPXSA-N 1 0 344.484 3.504 10 30 EHEERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)s1 ZINC000183362595 1027644842 /nfs/dbraw/zinc/64/48/42/1027644842.db2.gz FYVTUCOSARMRSP-SDDDUWNISA-N 1 0 347.434 3.994 10 30 EHEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000245553207 1028821585 /nfs/dbraw/zinc/82/15/85/1028821585.db2.gz FEVAMHIJHMWVPX-GOEBONIOSA-N 1 0 327.453 3.814 10 30 EHEERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(OCC#N)cc1 ZINC000252734669 1029232961 /nfs/dbraw/zinc/23/29/61/1029232961.db2.gz YVEUPHQFIYSECN-JEDBISTDSA-N 1 0 326.440 3.587 10 30 EHEERO CCc1cc[n+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000188671307 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O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000330132342 1018001603 /nfs/dbraw/zinc/00/16/03/1018001603.db2.gz LJKVVPMGGGMWJC-PXGGHBFRSA-N 1 0 346.515 3.539 10 30 EHEERO CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3CCC[N@H+](CC)C3)c12 ZINC000328662613 1022458761 /nfs/dbraw/zinc/45/87/61/1022458761.db2.gz XKOJFBGSOYDLLC-CQSZACIVSA-N 1 0 344.459 3.527 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)NCCC1=CCCCC1 ZINC000328722498 1022463935 /nfs/dbraw/zinc/46/39/35/1022463935.db2.gz XPYMFEWCSYDRDA-GOEBONIOSA-N 1 0 333.476 3.853 10 30 EHEERO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)N[C@@H]1CCCc2ccccc21 ZINC000328687984 1022467905 /nfs/dbraw/zinc/46/79/05/1022467905.db2.gz HKEMCJXNOGHXCB-IAGOWNOFSA-N 1 0 341.455 3.652 10 30 EHEERO CC(C)C[C@@H]1C(=O)NCCCN1CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000328790428 1022501811 /nfs/dbraw/zinc/50/18/11/1022501811.db2.gz QHZNVXMCZRWWHT-YLFCFFPRSA-N 1 0 337.508 3.845 10 30 EHEERO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](c3nccn3C)C2)c2ccccc21 ZINC000328869702 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CCN(c1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1)C(C)C ZINC000057940014 717130822 /nfs/dbraw/zinc/13/08/22/717130822.db2.gz QIHGMTAWXKCVHP-UHFFFAOYSA-O 1 0 332.512 3.879 10 30 EHEERO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1C ZINC000328929284 1022547932 /nfs/dbraw/zinc/54/79/32/1022547932.db2.gz YLFXFFJELJMTHX-NQYLQCIDSA-N 1 0 343.471 3.808 10 30 EHEERO N#Cc1ccccc1Cn1cccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000187870717 1028260653 /nfs/dbraw/zinc/26/06/53/1028260653.db2.gz DFLXOILDKLJHNL-HXUWFJFHSA-N 1 0 329.403 3.631 10 30 EHEERO C[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329298326 1030321036 /nfs/dbraw/zinc/32/10/36/1030321036.db2.gz UGNAZWSXAHFJHG-HUUCEWRRSA-N 1 0 332.492 3.531 10 30 EHEERO N#CCCCOc1cccc(C[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000171246606 1030751312 /nfs/dbraw/zinc/75/13/12/1030751312.db2.gz KHBDIQOKQFWECK-IBGZPJMESA-N 1 0 349.434 3.585 10 30 EHEERO N#CCSCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000174159636 1031172018 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C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000329486348 1030903681 /nfs/dbraw/zinc/90/36/81/1030903681.db2.gz SZKWUHOHOCDKMH-HOCLYGCPSA-N 1 0 332.444 3.740 10 30 EHEERO Cn1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000248892539 1037087691 /nfs/dbraw/zinc/08/76/91/1037087691.db2.gz SJXJDAFGLZPAHD-SJLPKXTDSA-N 1 0 343.496 3.827 10 30 EHEERO C=CCC[C@@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1cc(CC)ncn1 ZINC000072476778 564063864 /nfs/dbraw/zinc/06/38/64/564063864.db2.gz ANQUIYXBILMOHE-SCTDSRPQSA-N 1 0 327.472 3.651 10 30 EHEERO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cccs1 ZINC000328628362 564137056 /nfs/dbraw/zinc/13/70/56/564137056.db2.gz NRDBHWLKTGMXHV-QRTARXTBSA-N 1 0 329.469 3.896 10 30 EHEERO C[C@@H]1CCC[C@H](NC(=O)CN2CC[C@H](c3nc(C4CC4)no3)C2)[C@H]1C ZINC000329035742 1025577031 /nfs/dbraw/zinc/57/70/31/1025577031.db2.gz MUPDKRFEQWSWTM-VRKREXBASA-N 1 0 346.475 3.518 10 30 EHEERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000329484356 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/nfs/dbraw/zinc/16/45/60/213164560.db2.gz FANJZXXJONZMSJ-CYBMUJFWSA-N 1 0 328.250 3.653 10 30 EHEERO C=CCC[C@H](CN1CCC[N@@H+](C)CC1)Oc1nc2ccccc2s1 ZINC000072478898 564063870 /nfs/dbraw/zinc/06/38/70/564063870.db2.gz RJGAUFHSQDJGKA-MRXNPFEDSA-N 1 0 345.512 3.647 10 30 EHEERO C[C@H]1CCN(C(=O)C[N+](C)(C)C2CCCC2)c2ccccc2S1 ZINC000029414228 717118307 /nfs/dbraw/zinc/11/83/07/717118307.db2.gz RBYDTJLZJDGDAD-HNNXBMFYSA-N 1 0 333.521 3.923 10 30 EHEERO CCc1ccc(C)[n+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000182241521 1032082634 /nfs/dbraw/zinc/08/26/34/1032082634.db2.gz DZMOICPRMNSKGH-QGZVFWFLSA-N 1 0 333.814 3.615 10 30 EHEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)NCC2CCCCC2)C1 ZINC000328728804 1022488341 /nfs/dbraw/zinc/48/83/41/1022488341.db2.gz HCKMAXJADRXUJM-BVBHFADKSA-N 1 0 336.520 3.785 10 30 EHEERO CC(C)C1([NH2+][C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000328802585 1022507016 /nfs/dbraw/zinc/50/70/16/1022507016.db2.gz GUANJTGGUFLQBV-IWUURBKTSA-N 1 0 347.503 3.992 10 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/nfs/dbraw/zinc/24/16/75/1034241675.db2.gz KRBKIDHFKWHSML-QFIPXVFZSA-N 1 0 349.478 3.799 10 30 EHEERO Cn1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cc1C#N ZINC000191360039 1036918505 /nfs/dbraw/zinc/91/85/05/1036918505.db2.gz GVEQAEDZZMMRKM-SFHVURJKSA-N 1 0 345.450 3.666 10 30 EHEERO Cc1ccc(F)c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000328641492 564137106 /nfs/dbraw/zinc/13/71/06/564137106.db2.gz XZDROCJRCLCHOR-YJBOKZPZSA-N 1 0 327.403 3.527 10 30 EHEERO CC(C)[C@@H](CNC(=O)C[C@H]1CCCCC(=O)N1)[NH+]1CCC(C)CC1 ZINC000328649786 1022454568 /nfs/dbraw/zinc/45/45/68/1022454568.db2.gz IVXXMZZNOWNOPN-IAGOWNOFSA-N 1 0 337.508 3.989 10 30 EHEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC=C(c3cccs3)CC2)CC1 ZINC000117965893 1025066292 /nfs/dbraw/zinc/06/62/92/1025066292.db2.gz NVKUEFFIODCFHU-UHFFFAOYSA-N 1 0 345.512 3.587 10 30 EHEERO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)n1cnc2ccccc21 ZINC000329108595 1025607839 /nfs/dbraw/zinc/60/78/39/1025607839.db2.gz FLRAUZOIAAQJTG-HUUCEWRRSA-N 1 0 326.444 3.571 10 30 EHEERO C[C@@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180019721 1031831266 /nfs/dbraw/zinc/83/12/66/1031831266.db2.gz GCLZHIGASDKQFW-AEFFLSMTSA-N 1 0 335.451 3.863 10 30 EHEERO C=CC[N@@H+](Cc1ccc(C)s1)Cc1cc(C)n(-n2cnnc2)c1C ZINC000055342913 518777875 /nfs/dbraw/zinc/77/78/75/518777875.db2.gz FREFRNPINOAXCK-UHFFFAOYSA-N 1 0 341.484 3.566 10 30 EHEERO O=C1[C@@H]([n+]2ccc3c(c2)CCCC3)CCN1c1ccc(F)c(Cl)c1 ZINC000182241900 1032081600 /nfs/dbraw/zinc/08/16/00/1032081600.db2.gz GLLJWYVQOYEEBL-SFHVURJKSA-N 1 0 345.825 3.623 10 30 EHEERO CC[C@H]1CCN1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000330284766 1024385160 /nfs/dbraw/zinc/38/51/60/1024385160.db2.gz XZAIYHBSRQWEPX-INIZCTEOSA-N 1 0 344.455 3.668 10 30 EHEERO Cc1cc(C#N)cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000367344945 1025133524 /nfs/dbraw/zinc/13/35/24/1025133524.db2.gz CDLQZLLBZDNYKR-UXHICEINSA-N 1 0 332.451 3.505 10 30 EHEERO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329055106 1025581597 /nfs/dbraw/zinc/58/15/97/1025581597.db2.gz SHCUMFIOHYHDHL-AAEUAGOBSA-N 1 0 344.390 3.552 10 30 EHEERO N#CCC[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000090664963 1030156673 /nfs/dbraw/zinc/15/66/73/1030156673.db2.gz MGFUUMMKRTWHSJ-OAQYLSRUSA-N 1 0 334.467 3.681 10 30 EHEERO N#Cc1cnc2ccc(Cl)cc2c1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333611986 1138311324 /nfs/dbraw/zinc/31/13/24/1138311324.db2.gz YCIAEMUGYCWONG-CQSZACIVSA-N 1 0 340.858 3.586 10 30 EHEERO CCSc1nc2c(c(-c3ccc(OC)cc3)c1C#N)C[N@H+](C)CC2 ZINC000040569937 213352464 /nfs/dbraw/zinc/35/24/64/213352464.db2.gz HERJHFBZJRNAQO-UHFFFAOYSA-N 1 0 339.464 3.729 10 30 EHEERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccccc1C#N ZINC000078734854 217112203 /nfs/dbraw/zinc/11/22/03/217112203.db2.gz IWXXKSGMKKGYFC-STQMWFEESA-N 1 0 327.815 3.889 10 30 EHEERO C[N+](C)(C1CCCC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160081860 717154639 /nfs/dbraw/zinc/15/46/39/717154639.db2.gz RBPUJJYECGRGCB-INIZCTEOSA-N 1 0 325.835 3.603 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cccc(C#N)c1 ZINC000246972021 1016250801 /nfs/dbraw/zinc/25/08/01/1016250801.db2.gz IMFXWVGWJBVBRA-LLGFUMIMSA-N 1 0 334.467 3.514 10 30 EHEERO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328694417 1022469622 /nfs/dbraw/zinc/46/96/22/1022469622.db2.gz JZHSOGORAYHBNI-SJLPKXTDSA-N 1 0 330.476 3.756 10 30 EHEERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC(=O)NCC2CCCCC2)C1 ZINC000328728805 1022488767 /nfs/dbraw/zinc/48/87/67/1022488767.db2.gz HCKMAXJADRXUJM-LULLPPNCSA-N 1 0 336.520 3.785 10 30 EHEERO [NH2+]=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190089793 1023253933 /nfs/dbraw/zinc/25/39/33/1023253933.db2.gz TUZRYSNAGUAWGV-GUDVDZBRSA-N 1 0 337.423 3.773 10 30 EHEERO C=C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000248039316 1028844238 /nfs/dbraw/zinc/84/42/38/1028844238.db2.gz LROSLNJCPGAWTB-SLYNCCJLSA-N 1 0 338.495 3.822 10 30 EHEERO N#Cc1cnc2ccc(Cl)cc2c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333536431 1138301974 /nfs/dbraw/zinc/30/19/74/1138301974.db2.gz NCAJVKLXAAGWFV-QGZVFWFLSA-N 1 0 340.858 3.728 10 30 EHEERO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2c1 ZINC000333850818 1138338799 /nfs/dbraw/zinc/33/87/99/1138338799.db2.gz NLOCETDJDYKQEF-DLBZAZTESA-N 1 0 334.467 3.549 10 30 EHEERO Cc1csc(C2CC[NH+](CCOc3ccccc3C#N)CC2)n1 ZINC000156799828 1020388269 /nfs/dbraw/zinc/38/82/69/1020388269.db2.gz ATGKIWOTCPQLPA-UHFFFAOYSA-N 1 0 327.453 3.582 10 30 EHEERO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000328677869 1022464575 /nfs/dbraw/zinc/46/45/75/1022464575.db2.gz AUNMVWSKWJNLEQ-FUHWJXTLSA-N 1 0 326.444 3.814 10 30 EHEERO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328680264 1022465734 /nfs/dbraw/zinc/46/57/34/1022465734.db2.gz BWZZVEVUHMCWHQ-CJNGLKHVSA-N 1 0 329.444 3.857 10 30 EHEERO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)c1 ZINC000328712440 1022474256 /nfs/dbraw/zinc/47/42/56/1022474256.db2.gz RSDBVLVYYITHKX-HOCLYGCPSA-N 1 0 329.444 3.911 10 30 EHEERO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCCC#N ZINC000152477597 1026192505 /nfs/dbraw/zinc/19/25/05/1026192505.db2.gz QDRUQUCEIIWDSW-CZUORRHYSA-N 1 0 337.261 3.905 10 30 EHEERO COc1cccc2c1CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000194570534 1028523595 /nfs/dbraw/zinc/52/35/95/1028523595.db2.gz LWHPGMXXZUFOJO-INIZCTEOSA-N 1 0 336.435 3.587 10 30 EHEERO CN(c1ccc(C#N)cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000301354129 1128587240 /nfs/dbraw/zinc/58/72/40/1128587240.db2.gz XHUISWPVXZAJID-YOFSQIOKSA-N 1 0 332.451 3.585 10 30 EHEERO N#Cc1ccccc1Cn1c2ccccc2nc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000095077403 218273429 /nfs/dbraw/zinc/27/34/29/218273429.db2.gz MNXHPNUARNMQHE-MSOLQXFVSA-N 1 0 345.450 3.638 10 30 EHEERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(C#N)s1 ZINC000135082617 1020265663 /nfs/dbraw/zinc/26/56/63/1020265663.db2.gz DTEVTFYXMXQOHW-VXGBXAGGSA-N 1 0 332.860 3.598 10 30 EHEERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C1 ZINC000328927990 1022624457 /nfs/dbraw/zinc/62/44/57/1022624457.db2.gz XMCSEIZJXLLZJO-YPMHNXCESA-N 1 0 333.457 3.558 10 30 EHEERO Cc1cnn(CC2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)c1 ZINC000329106534 1025604410 /nfs/dbraw/zinc/60/44/10/1025604410.db2.gz DJJLFVSNOCPVNV-YQVWRLOYSA-N 1 0 346.519 3.685 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(C#N)s1 ZINC000183360531 1027644282 /nfs/dbraw/zinc/64/42/82/1027644282.db2.gz MHWHLKMFAXQKLJ-SWLSCSKDSA-N 1 0 343.427 3.605 10 30 EHEERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000135452754 1028195681 /nfs/dbraw/zinc/19/56/81/1028195681.db2.gz OIYVNYXQACSGIA-ROUUACIJSA-N 1 0 328.456 3.595 10 30 EHEERO O=C(NCCC1(O)CCC1)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000329162626 1029929597 /nfs/dbraw/zinc/92/95/97/1029929597.db2.gz ZTYKAIBZIZEEHR-NQIIRXRSSA-N 1 0 342.483 3.550 10 30 EHEERO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000192376717 1036502418 /nfs/dbraw/zinc/50/24/18/1036502418.db2.gz QKJZYHPDGVJXLC-PBEJRMEISA-N 1 0 336.435 3.845 10 30 EHEERO [NH2+]=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249942092 1036679483 /nfs/dbraw/zinc/67/94/83/1036679483.db2.gz TUZRYSNAGUAWGV-OTWHNJEPSA-N 1 0 337.423 3.773 10 30 EHEERO Cc1cc(C)c2ncc(C#N)c(N3CCC([C@H]4CC[NH2+]C4)CC3)c2c1 ZINC000333513804 1138299022 /nfs/dbraw/zinc/29/90/22/1138299022.db2.gz JLYTZBVXEIBXJV-KRWDZBQOSA-N 1 0 334.467 3.549 10 30 EHEERO N#Cc1ccccc1Cn1c2ccccc2nc1N[C@H]1CC[C@H]([NH3+])CC1 ZINC000100278642 219096070 /nfs/dbraw/zinc/09/60/70/219096070.db2.gz WRWBCVLMHSKTQU-HDICACEKSA-N 1 0 345.450 3.638 10 30 EHEERO CCSc1nc2c(c(-c3ccccc3OC)c1C#N)C[N@H+](C)CC2 ZINC000040569989 213352135 /nfs/dbraw/zinc/35/21/35/213352135.db2.gz KOGBEULRJSLEMS-UHFFFAOYSA-N 1 0 339.464 3.729 10 30 EHEERO C=C(Br)COc1cc(OCCC)ccc1C[C@H](C)[NH3+] ZINC000037722165 213162973 /nfs/dbraw/zinc/16/29/73/213162973.db2.gz INXIGTQOQTXBBL-LBPRGKRZSA-N 1 0 328.250 3.653 10 30 EHEERO C=C(Cl)COc1c(Br)cc(C[C@H](C)[NH3+])cc1OCC ZINC000037722341 213163344 /nfs/dbraw/zinc/16/33/44/213163344.db2.gz ZBVLTZLMPNKUJE-JTQLQIEISA-N 1 0 348.668 3.869 10 30 EHEERO C=CCOc1ccc(C[NH2+]Cc2ccccc2OC)cc1OCC ZINC000013720502 258016982 /nfs/dbraw/zinc/01/69/82/258016982.db2.gz CILYNDSFLJSUKU-UHFFFAOYSA-N 1 0 327.424 3.949 10 30 EHEERO C[C@H](NC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000328615513 1016243026 /nfs/dbraw/zinc/24/30/26/1016243026.db2.gz RUEJGPOIRBQVPS-CVAIRZPRSA-N 1 0 338.455 3.730 10 30 EHEERO CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330285913 1024384996 /nfs/dbraw/zinc/38/49/96/1024384996.db2.gz ZKNAGXRKUCBGPI-SXUGBLPRSA-N 1 0 333.476 3.699 10 30 EHEERO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)NC3CCC(C)CC3)CC2)c1 ZINC000329202652 1025662946 /nfs/dbraw/zinc/66/29/46/1025662946.db2.gz YCSNIDMAFWCORQ-URSIVYNOSA-N 1 0 346.519 3.827 10 30 EHEERO C=C[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000248039313 1028843370 /nfs/dbraw/zinc/84/33/70/1028843370.db2.gz LROSLNJCPGAWTB-LMNJBCLMSA-N 1 0 338.495 3.822 10 30 EHEERO CN(c1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1)C1CC[NH+](C)CC1 ZINC000248841260 1028956830 /nfs/dbraw/zinc/95/68/30/1028956830.db2.gz NSKFTESFPYKJCU-AEFFLSMTSA-N 1 0 326.488 3.711 10 30 EHEERO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000245640605 1028959827 /nfs/dbraw/zinc/95/98/27/1028959827.db2.gz KKVYTPQRCRNQRG-FGZHOGPDSA-N 1 0 348.494 3.571 10 30 EHEERO C[C@H](NC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000249968335 1036678486 /nfs/dbraw/zinc/67/84/86/1036678486.db2.gz XFPDLRNTOAVQIX-JQWOWJDXSA-N 1 0 342.270 3.526 10 30 EHEERO C=C[C@H](C)Oc1c(Br)cc(C[NH2+]CC)cc1OCC ZINC000052141745 214119747 /nfs/dbraw/zinc/11/97/47/214119747.db2.gz WJLJQWNIMMUCHY-NSHDSACASA-N 1 0 328.250 3.911 10 30 EHEERO N#Cc1ccc(Cn2c3ccccc3nc2N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000095077384 218273444 /nfs/dbraw/zinc/27/34/44/218273444.db2.gz RLOQUZRGQGNDJX-ZWKOTPCHSA-N 1 0 345.450 3.638 10 30 EHEERO CCNC(=O)COc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)cc1 ZINC000328615234 564136899 /nfs/dbraw/zinc/13/68/99/564136899.db2.gz ASBJQVPNUSASPI-APWZRJJASA-N 1 0 348.487 3.583 10 30 EHEERO [NH3+]C[C@H](Oc1ccc(F)c(C(F)(F)F)c1)C(F)(F)C(F)(F)F ZINC000616569370 564177355 /nfs/dbraw/zinc/17/73/55/564177355.db2.gz KBXHTLBCGYDCNY-QMMMGPOBSA-N 1 0 341.173 3.748 10 30 EHEERO C[N+](C)(C1CCCC1)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000182241754 717157543 /nfs/dbraw/zinc/15/75/43/717157543.db2.gz FLKWXFKRGUCGNP-MRXNPFEDSA-N 1 0 325.835 3.603 10 30 EHEERO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C#N)s3)CC2)nc1 ZINC000135007370 1018251499 /nfs/dbraw/zinc/25/14/99/1018251499.db2.gz KLCMMHIRWLLHKS-CQSZACIVSA-N 1 0 326.469 3.643 10 30 EHEERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000329183832 1025651393 /nfs/dbraw/zinc/65/13/93/1025651393.db2.gz PNZXLXHDSAFISQ-XJKSGUPXSA-N 1 0 327.428 3.735 10 30 EHEERO C[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)C1=CC[N@H+](C)CC1 ZINC000329325053 1025754503 /nfs/dbraw/zinc/75/45/03/1025754503.db2.gz VXLOWJLNFLBOEU-LRDDRELGSA-N 1 0 345.468 3.746 10 30 EHEERO CC1(C)CN(C(=O)NC[C@@H]2CCc3nccn3C2)[C@H]1c1cccs1 ZINC000329339808 1025762630 /nfs/dbraw/zinc/76/26/30/1025762630.db2.gz REQJFFCASARUKA-BBRMVZONSA-N 1 0 344.484 3.504 10 30 EHEERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000246285792 1028158620 /nfs/dbraw/zinc/15/86/20/1028158620.db2.gz OIYVNYXQACSGIA-ZWKOTPCHSA-N 1 0 328.456 3.595 10 30 EHEERO COc1cccc2c1CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000194570547 1028525246 /nfs/dbraw/zinc/52/52/46/1028525246.db2.gz LWHPGMXXZUFOJO-MRXNPFEDSA-N 1 0 336.435 3.587 10 30 EHEERO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000248915207 1028967254 /nfs/dbraw/zinc/96/72/54/1028967254.db2.gz VZCTYZYAVWSJPZ-PMPSAXMXSA-N 1 0 349.425 3.929 10 30 EHEERO CCc1ccc(C)[n+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 ZINC000160080570 1030528867 /nfs/dbraw/zinc/52/88/67/1030528867.db2.gz XOSRTGFHNXQHPH-QGZVFWFLSA-N 1 0 333.814 3.615 10 30 EHEERO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(OCC#N)cc1 ZINC000181886254 1032040067 /nfs/dbraw/zinc/04/00/67/1032040067.db2.gz SDEJOZWPNPMTLW-HNNXBMFYSA-N 1 0 341.480 3.970 10 30 EHEERO N#Cc1ccccc1Cn1cccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000188265960 1034241201 /nfs/dbraw/zinc/24/12/01/1034241201.db2.gz KRBKIDHFKWHSML-JOCHJYFZSA-N 1 0 349.478 3.799 10 30 EHEERO C=C(C)C[NH+]1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000106038518 1128479237 /nfs/dbraw/zinc/47/92/37/1128479237.db2.gz AOYZOQCONRYMNZ-UHFFFAOYSA-N 1 0 332.831 3.857 10 30 EHEERO [NH2+]=C(NCc1ccc(Oc2cccc(F)c2)nc1)NC1CCCCC1 ZINC000104183238 1139198924 /nfs/dbraw/zinc/19/89/24/1139198924.db2.gz XLBJDJSXODCJPA-UHFFFAOYSA-N 1 0 342.418 3.750 10 30 EHEERO C=CCC[C@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ncc(Cl)cn1 ZINC000072478668 216257221 /nfs/dbraw/zinc/25/72/21/216257221.db2.gz BYQSPIHSQKDZNK-HLLBOEOZSA-N 1 0 333.863 3.742 10 30 EHEERO Cc1ccc(C(=O)C[N+]2(C)CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000020357423 717112834 /nfs/dbraw/zinc/11/28/34/717112834.db2.gz CIBVYBQVMXXNHO-UHFFFAOYSA-N 1 0 333.455 3.880 10 30 EHEERO C=CCC[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000131078882 1027735128 /nfs/dbraw/zinc/73/51/28/1027735128.db2.gz BHKBGLCLLCDYQJ-HXUWFJFHSA-N 1 0 341.499 3.964 10 30 EHEERO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCN(C)c3ccccc32)cc1 ZINC000171563205 1030794905 /nfs/dbraw/zinc/79/49/05/1030794905.db2.gz KPGQXDIGZFRHHP-SJLPKXTDSA-N 1 0 335.451 3.691 10 30 EHEERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccc(C#N)cc1 ZINC000179740525 1034588735 /nfs/dbraw/zinc/58/87/35/1034588735.db2.gz FIUMZUOAWIAMMG-OAHLLOKOSA-N 1 0 336.439 3.599 10 30 EHEERO C=CCC[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000189057103 1036008105 /nfs/dbraw/zinc/00/81/05/1036008105.db2.gz MTFBLRUINFUCOP-FQEVSTJZSA-N 1 0 326.484 3.823 10 30 EHEERO N#Cc1ccc(Cn2c3ccccc3nc2NC2CCC([NH3+])CC2)cc1 ZINC000095077196 218274041 /nfs/dbraw/zinc/27/40/41/218274041.db2.gz XCUKNAXIBSHDSP-UHFFFAOYSA-N 1 0 345.450 3.638 10 30 EHEERO N#Cc1ccccc1Cn1c2ccccc2nc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000095077402 218273292 /nfs/dbraw/zinc/27/32/92/218273292.db2.gz MNXHPNUARNMQHE-QZTJIDSGSA-N 1 0 345.450 3.638 10 30 EHEERO C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)[N+](C)(C)C1CCCC1 ZINC000015457965 717112412 /nfs/dbraw/zinc/11/24/12/717112412.db2.gz NGFIKZOZMZVGPY-SFHVURJKSA-N 1 0 343.535 3.875 10 30 EHEERO C[C@@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccc2c(c1)CCCC2 ZINC000029414481 717118857 /nfs/dbraw/zinc/11/88/57/717118857.db2.gz TZCFMZZHHAIIIV-MRXNPFEDSA-O 1 0 329.508 3.762 10 30 EHEERO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328680265 1022466078 /nfs/dbraw/zinc/46/60/78/1022466078.db2.gz BWZZVEVUHMCWHQ-CZUORRHYSA-N 1 0 329.444 3.857 10 30 EHEERO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)NC12CC3CC(CC(C3)C1)C2 ZINC000328700976 1022470715 /nfs/dbraw/zinc/47/07/15/1022470715.db2.gz NAVRTGAGSHBCFO-LZUXJJCOSA-N 1 0 345.487 3.543 10 30 EHEERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328786333 1022499186 /nfs/dbraw/zinc/49/91/86/1022499186.db2.gz OOPZARJPLWLAHI-OWCLPIDISA-N 1 0 337.508 3.846 10 30 EHEERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000154346085 1029112719 /nfs/dbraw/zinc/11/27/19/1029112719.db2.gz ZTLMUJVCGJMGMM-WWMYMODYSA-N 1 0 334.467 3.514 10 30 EHEERO Cc1cc(C#N)cc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000588001141 1035667461 /nfs/dbraw/zinc/66/74/61/1035667461.db2.gz WHFQJIQXXDNHAI-RTWAWAEBSA-N 1 0 346.478 3.753 10 30 EHEERO C=CCC[C@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1cc(CC)ncn1 ZINC000072476779 216254446 /nfs/dbraw/zinc/25/44/46/216254446.db2.gz ANQUIYXBILMOHE-ZIFCJYIRSA-N 1 0 327.472 3.651 10 30 EHEERO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000284624011 564149117 /nfs/dbraw/zinc/14/91/17/564149117.db2.gz BDLWTQJLPQTZHV-YZGWKJHDSA-N 1 0 342.483 3.504 10 30 EHEERO C[C@H](C(=O)Nc1ccc(Br)cc1)[N+](C)(C)C1CCCC1 ZINC000007760448 717106297 /nfs/dbraw/zinc/10/62/97/717106297.db2.gz LDICWSMPOJAVIJ-GFCCVEGCSA-O 1 0 340.285 3.795 10 30 EHEERO COc1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1Cl ZINC000015457934 717112390 /nfs/dbraw/zinc/11/23/90/717112390.db2.gz ISIOYZDRZHPBGW-LBPRGKRZSA-O 1 0 325.860 3.695 10 30 EHEERO O=C1[C@H]([n+]2ccc3c(c2)CCCC3)CCN1c1ccc(F)c(Cl)c1 ZINC000182241922 1032082918 /nfs/dbraw/zinc/08/29/18/1032082918.db2.gz GLLJWYVQOYEEBL-GOSISDBHSA-N 1 0 345.825 3.623 10 30 EHEERO COc1ccc(C#N)cc1C[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000157969435 1021892829 /nfs/dbraw/zinc/89/28/29/1021892829.db2.gz XABVJMDDKPAGIQ-UHFFFAOYSA-N 1 0 327.453 3.711 10 30 EHEERO O=C(CCc1nc2ccccc2o1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329205416 1030018092 /nfs/dbraw/zinc/01/80/92/1030018092.db2.gz ZGUTZGBSAGJDCS-AWEZNQCLSA-N 1 0 327.428 3.734 10 30 EHEERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccc(C#N)cc1 ZINC000179740509 1034589184 /nfs/dbraw/zinc/58/91/84/1034589184.db2.gz FIUMZUOAWIAMMG-HNNXBMFYSA-N 1 0 336.439 3.599 10 30 EHEERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000180148670 1035846263 /nfs/dbraw/zinc/84/62/63/1035846263.db2.gz PWICMMZUTCICLE-CYBMUJFWSA-N 1 0 328.437 3.626 10 30 EHEERO Cc1cc(C)c(N2CC[C@@H]([n+]3ccc4c(c3)CCCC4)C2=O)c(C)c1 ZINC000188672477 1035969483 /nfs/dbraw/zinc/96/94/83/1035969483.db2.gz JUOKCDDGXCSGCD-HXUWFJFHSA-N 1 0 335.471 3.756 10 30 EHEERO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000038012374 213188276 /nfs/dbraw/zinc/18/82/76/213188276.db2.gz VWWZOEOFTHJHGJ-SJKOYZFVSA-N 1 0 345.240 3.705 10 30 EHEERO N#Cc1ccccc1Cn1c2ccccc2nc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000095077401 218273902 /nfs/dbraw/zinc/27/39/02/218273902.db2.gz MNXHPNUARNMQHE-ROUUACIJSA-N 1 0 345.450 3.638 10 30 EHEERO COc1ccc(C(=O)/C=C\[n+]2cccc(Cc3ccccc3)c2)cc1 ZINC000033376576 523543621 /nfs/dbraw/zinc/54/36/21/523543621.db2.gz PVSKYAMRLRUEKQ-SQFISAMPSA-N 1 0 330.407 3.927 10 30 EHEERO C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1nc2ccccc2s1 ZINC000072448149 564063817 /nfs/dbraw/zinc/06/38/17/564063817.db2.gz NTMYLYSSYCHWBA-OAHLLOKOSA-N 1 0 332.469 3.732 10 30 EHEERO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000284624007 564149046 /nfs/dbraw/zinc/14/90/46/564149046.db2.gz BDLWTQJLPQTZHV-YSIASYRMSA-N 1 0 342.483 3.504 10 30 EHEERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000186088562 1024709733 /nfs/dbraw/zinc/70/97/33/1024709733.db2.gz TXXXAUKUFYOZGW-MRXNPFEDSA-N 1 0 342.487 3.874 10 30 EHEERO Cc1cnn(CC2CC[NH+]([C@@H](C)C(=O)NC3CCCCC3)CC2)c1 ZINC000329156984 1025632150 /nfs/dbraw/zinc/63/21/50/1025632150.db2.gz WBEWUQSJQMQNHA-INIZCTEOSA-N 1 0 332.492 3.581 10 30 EHEERO C=CCc1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc(OC)c1O ZINC000092788642 1030520507 /nfs/dbraw/zinc/52/05/07/1030520507.db2.gz QWZHGOKITMHBCE-INIZCTEOSA-N 1 0 344.480 3.965 10 30 EHEERO CC(C)(C#N)CCC[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000174856387 1031283245 /nfs/dbraw/zinc/28/32/45/1031283245.db2.gz DQFTUNFZRLNWQH-UHFFFAOYSA-N 1 0 349.482 3.596 10 30 EHEERO CC(C)(C#N)c1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000193568136 1037379480 /nfs/dbraw/zinc/37/94/80/1037379480.db2.gz ABZHCGPJWXHBGK-UHFFFAOYSA-N 1 0 340.471 3.580 10 30 EHEERO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195340201 1123369278 /nfs/dbraw/zinc/36/92/78/1123369278.db2.gz GYUSKNSINURSBK-MRXNPFEDSA-N 1 0 327.453 3.663 10 30 EHEERO N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333847497 1138338665 /nfs/dbraw/zinc/33/86/65/1138338665.db2.gz MQMUVEDZAGIXRH-KGLIPLIRSA-N 1 0 340.858 3.586 10 30 EHEERO C=C(Br)COc1c(C[C@@H]([NH3+])CC)cccc1OCC ZINC000037728552 213164248 /nfs/dbraw/zinc/16/42/48/213164248.db2.gz OFUJPYVMIXOWIN-ZDUSSCGKSA-N 1 0 328.250 3.653 10 30 EHEERO O=C(C[n+]1ccc(-c2ccccc2Cl)nc1)c1ccc(F)cc1 ZINC000048523512 564129268 /nfs/dbraw/zinc/12/92/68/564129268.db2.gz FMDIMFUQQLVPGA-UHFFFAOYSA-N 1 0 327.766 3.712 10 30 EHEERO CCCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H]([NH3+])CO ZINC000077312315 564134217 /nfs/dbraw/zinc/13/42/17/564134217.db2.gz UQAUXYMLKGFKBX-AQNXPRMDSA-N 1 0 345.568 3.899 10 30 in-vitro EHEERO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(C#N)s1 ZINC000134813796 1015822507 /nfs/dbraw/zinc/82/25/07/1015822507.db2.gz ZHKFARRRUJGULT-LBPRGKRZSA-N 1 0 326.400 3.795 10 30 EHEERO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328704781 1022471846 /nfs/dbraw/zinc/47/18/46/1022471846.db2.gz OZMSCWRWGRYZBO-DOTOQJQBSA-N 1 0 343.471 3.514 10 30 EHEERO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000328715492 1022476457 /nfs/dbraw/zinc/47/64/57/1022476457.db2.gz SWAJDCSLPAUGAH-WMLDXEAASA-N 1 0 343.471 3.898 10 30 EHEERO C[C@H](C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328747204 1022478721 /nfs/dbraw/zinc/47/87/21/1022478721.db2.gz PZEMHIRCQOODQH-QKPAOTATSA-N 1 0 346.519 3.713 10 30 EHEERO FC(F)(F)c1ccc(C#CCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000177121434 1031513094 /nfs/dbraw/zinc/51/30/94/1031513094.db2.gz MCDFEGKYRRNSNZ-UHFFFAOYSA-N 1 0 336.401 3.617 10 30 EHEERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccc(C#N)s1 ZINC000179741299 1034588144 /nfs/dbraw/zinc/58/81/44/1034588144.db2.gz XCNBBYNRFNYAPX-CYBMUJFWSA-N 1 0 342.468 3.661 10 30 EHEERO Cc1ccc(NC2=C([n+]3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000039263718 213233446 /nfs/dbraw/zinc/23/34/46/213233446.db2.gz XHAJIKAHRSWCDF-UHFFFAOYSA-O 1 0 341.390 3.642 10 30 EHEERO C=C(C)COc1c(Br)cc(C[C@H](C)[NH3+])cc1OCC ZINC000037722337 213163212 /nfs/dbraw/zinc/16/32/12/213163212.db2.gz ZAKGFVCPGKQMFC-NSHDSACASA-N 1 0 328.250 3.692 10 30 EHEERO C#Cc1ccc(CN2CCC[C@@H]([N@H+](CC)Cc3ccncc3)C2)cc1 ZINC000020918218 518358677 /nfs/dbraw/zinc/35/86/77/518358677.db2.gz BWLKYJPYDDNJTH-JOCHJYFZSA-N 1 0 333.479 3.549 10 30 EHEERO C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1nc2ccccc2s1 ZINC000072448148 564063828 /nfs/dbraw/zinc/06/38/28/564063828.db2.gz NTMYLYSSYCHWBA-HNNXBMFYSA-N 1 0 332.469 3.732 10 30 EHEERO O=C(C[C@@H]1CCCCNC1=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000328797529 1022504504 /nfs/dbraw/zinc/50/45/04/1022504504.db2.gz VWEDHMGWKMXDPQ-ROUUACIJSA-N 1 0 343.471 3.927 10 30 EHEERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cc(Cl)ccc1F ZINC000330220984 1024359465 /nfs/dbraw/zinc/35/94/65/1024359465.db2.gz LFIWOGDTMJBBES-RJIBLYRGSA-N 1 0 326.799 3.613 10 30 EHEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCC(C(N)=O)CC1 ZINC000329007736 1025568514 /nfs/dbraw/zinc/56/85/14/1025568514.db2.gz YLNZKLSFLAMXDU-AGERRDQYSA-N 1 0 343.471 3.805 10 30 EHEERO Cc1cnn([C@H]2CCCN(CC(=O)Nc3ccc(C)cc3F)C2)c1 ZINC000329108114 1025604647 /nfs/dbraw/zinc/60/46/47/1025604647.db2.gz FENMQGMKUBTNIO-HNNXBMFYSA-N 1 0 330.407 3.564 10 30 EHEERO Cc1cnn(CC2CC[NH+]([C@@H](C)C(=O)NCC3CCCCC3)CC2)c1 ZINC000329131525 1025620488 /nfs/dbraw/zinc/62/04/88/1025620488.db2.gz AGOOXHIISLHUJD-KRWDZBQOSA-N 1 0 346.519 3.829 10 30 EHEERO Cc1cnn(CC2CC[NH+](CC(=O)NC3CCCCCC3)CC2)c1 ZINC000329158668 1025633118 /nfs/dbraw/zinc/63/31/18/1025633118.db2.gz XAUDKLDDQBLKLX-UHFFFAOYSA-N 1 0 332.492 3.583 10 30 EHEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000245553206 1028822278 /nfs/dbraw/zinc/82/22/78/1028822278.db2.gz FEVAMHIJHMWVPX-GDBMZVCRSA-N 1 0 327.453 3.814 10 30 EHEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000248915205 1028968259 /nfs/dbraw/zinc/96/82/59/1028968259.db2.gz VZCTYZYAVWSJPZ-OWCLPIDISA-N 1 0 349.425 3.929 10 30 EHEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262686389 1029623059 /nfs/dbraw/zinc/62/30/59/1029623059.db2.gz ARPDRUKVZGNWQH-CZIWCDLHSA-N 1 0 345.393 3.784 10 30 EHEERO Cc1cc(C#N)cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000588001139 1035666598 /nfs/dbraw/zinc/66/65/98/1035666598.db2.gz WHFQJIQXXDNHAI-LEWJYISDSA-N 1 0 346.478 3.753 10 30 EHEERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)C1 ZINC000328752288 1129579694 /nfs/dbraw/zinc/57/96/94/1129579694.db2.gz RVAKMBCEQOEPSG-WELBPKCISA-N 1 0 337.467 3.572 10 30 EHEERO CC(C)C1([NH2+][C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000328802589 1022505634 /nfs/dbraw/zinc/50/56/34/1022505634.db2.gz GUANJTGGUFLQBV-PGBRGIIUSA-N 1 0 347.503 3.992 10 30 EHEERO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185892132 1024693709 /nfs/dbraw/zinc/69/37/09/1024693709.db2.gz VQLJNBPNCGHGLC-BPNCWPANSA-N 1 0 328.382 3.795 10 30 EHEERO CC(C)[C@H]1C(=O)C=C2[C@@H]3CC[C@@H]4C[C@H]5[NH2+]C[C@H](O5)[C@]4(C)[C@H]3CC[C@@]21C ZINC000006036036 560204671 /nfs/dbraw/zinc/20/46/71/560204671.db2.gz YVWOGPJZTKNLJO-BYXPGVIDSA-N 1 0 343.511 3.935 10 30 in-vitro EHEERO C[N+](C)(C1CCCC1)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000184553755 717157762 /nfs/dbraw/zinc/15/77/62/717157762.db2.gz AARZIVHPUUXSOC-MRXNPFEDSA-N 1 0 341.397 3.830 10 30 EHEERO Cn1cncc1[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CCO1 ZINC000330331053 1024920938 /nfs/dbraw/zinc/92/09/38/1024920938.db2.gz NUDVQAHZKJPAPB-HPFXQQBRSA-N 1 0 331.460 3.813 10 30 EHEERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CC(C)(C)CCC#N)C1 ZINC000245702442 1029052366 /nfs/dbraw/zinc/05/23/66/1029052366.db2.gz BPURCWSEIPWRFE-QZTJIDSGSA-N 1 0 328.456 3.595 10 30 EHEERO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248912939 1036274170 /nfs/dbraw/zinc/27/41/70/1036274170.db2.gz VQLJNBPNCGHGLC-GDLCADMTSA-N 1 0 328.382 3.795 10 30 EHEERO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333143556 1137956515 /nfs/dbraw/zinc/95/65/15/1137956515.db2.gz CRORKTJCNPZUSC-SFHVURJKSA-N 1 0 338.430 3.522 10 30 EHEERO COc1ccccc1C(=O)C[n+]1ccc(-c2ccccc2Cl)nc1 ZINC000048523515 564129290 /nfs/dbraw/zinc/12/92/90/564129290.db2.gz NYRIXJXYEBGQKP-UHFFFAOYSA-N 1 0 339.802 3.581 10 30 EHEERO COc1ccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1Cl ZINC000015457933 717112409 /nfs/dbraw/zinc/11/24/09/717112409.db2.gz ISIOYZDRZHPBGW-GFCCVEGCSA-O 1 0 325.860 3.695 10 30 EHEERO CC(C)(C#N)c1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000193050839 1026723299 /nfs/dbraw/zinc/72/32/99/1026723299.db2.gz RJWNETCIFHORBM-UHFFFAOYSA-N 1 0 340.471 3.580 10 30 EHEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000262808115 1029637331 /nfs/dbraw/zinc/63/73/31/1029637331.db2.gz NSLCJASTHCCTSV-JCNLHEQBSA-N 1 0 327.403 3.645 10 30 EHEERO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC000333622270 1138312855 /nfs/dbraw/zinc/31/28/55/1138312855.db2.gz ZPYKCCBOHZAXLL-LJQANCHMSA-N 1 0 340.858 3.648 10 30 EHEERO C=C[C@@H](C)Oc1c(Br)cc(C[C@@H](C)[NH3+])cc1OCC ZINC000052144009 214120089 /nfs/dbraw/zinc/12/00/89/214120089.db2.gz SQAJHDQJEZWGTE-GHMZBOCLSA-N 1 0 328.250 3.691 10 30 EHEERO CCc1ccc(C)[n+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC000184553411 1032294709 /nfs/dbraw/zinc/29/47/09/1032294709.db2.gz KDFKMPLONLDQNY-KRWDZBQOSA-N 1 0 349.376 3.842 10 30 EHEERO C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000328672204 1022460186 /nfs/dbraw/zinc/46/01/86/1022460186.db2.gz OAWZYCRXBUEGPE-JYJNAYRXSA-N 1 0 335.492 3.885 10 30 EHEERO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328704782 1022472414 /nfs/dbraw/zinc/47/24/14/1022472414.db2.gz OZMSCWRWGRYZBO-RDJZCZTQSA-N 1 0 343.471 3.514 10 30 EHEERO [NH2+]=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190089826 1023253010 /nfs/dbraw/zinc/25/30/10/1023253010.db2.gz TUZRYSNAGUAWGV-QRVBRYPASA-N 1 0 337.423 3.773 10 30 EHEERO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000072744695 1028514848 /nfs/dbraw/zinc/51/48/48/1028514848.db2.gz KAISIJCEAQTJDL-PMACEKPBSA-N 1 0 337.471 3.506 10 30 EHEERO O=C(CCc1nc2ccccc2o1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329205417 1030017457 /nfs/dbraw/zinc/01/74/57/1030017457.db2.gz ZGUTZGBSAGJDCS-CQSZACIVSA-N 1 0 327.428 3.734 10 30 EHEERO N#CCC[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000090664964 1030156392 /nfs/dbraw/zinc/15/63/92/1030156392.db2.gz MGFUUMMKRTWHSJ-NRFANRHFSA-N 1 0 334.467 3.681 10 30 EHEERO CC(C)(CCC#N)C[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000093108021 1030561608 /nfs/dbraw/zinc/56/16/08/1030561608.db2.gz OSAXHRKWQJGAQK-UHFFFAOYSA-N 1 0 349.482 3.596 10 30 EHEERO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)C1 ZINC000328752285 1129579563 /nfs/dbraw/zinc/57/95/63/1129579563.db2.gz RVAKMBCEQOEPSG-DOSUHQCWSA-N 1 0 337.467 3.572 10 30 EHEERO Cc1cccc(NC(=[NH2+])NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000104154270 1139196309 /nfs/dbraw/zinc/19/63/09/1139196309.db2.gz OMXXCPUZYUYTHP-KRWDZBQOSA-N 1 0 326.444 3.542 10 30 EHEERO C=C[C@@H](C)Oc1c(Br)cc(C[C@@H]([NH3+])CC)cc1OC ZINC000052144155 214119061 /nfs/dbraw/zinc/11/90/61/214119061.db2.gz ZWBQWGJRDBIQDE-PWSUYJOCSA-N 1 0 328.250 3.691 10 30 EHEERO C=C[C@@H](C)Oc1c(Br)cc(C[C@H](C)[NH3+])cc1OCC ZINC000052144014 214120191 /nfs/dbraw/zinc/12/01/91/214120191.db2.gz SQAJHDQJEZWGTE-WDEREUQCSA-N 1 0 328.250 3.691 10 30 EHEERO COc1ccccc1-c1cc[n+](CC(=O)c2ccc(Cl)cc2)cn1 ZINC000048523481 564031771 /nfs/dbraw/zinc/03/17/71/564031771.db2.gz FMYJBYQLRHYXRM-UHFFFAOYSA-N 1 0 339.802 3.581 10 30 EHEERO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000284624000 564149050 /nfs/dbraw/zinc/14/90/50/564149050.db2.gz BDLWTQJLPQTZHV-DFQSSKMNSA-N 1 0 342.483 3.504 10 30 EHEERO Cc1cc(C(=O)C[N+](C)(C)C2CCCC2)c(C)n1Cc1ccco1 ZINC000007760397 717105851 /nfs/dbraw/zinc/10/58/51/717105851.db2.gz JVKVCGYXPSDVGX-UHFFFAOYSA-N 1 0 329.464 3.948 10 30 EHEERO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183874167 1032237406 /nfs/dbraw/zinc/23/74/06/1032237406.db2.gz DBHJZQAVTWBKPG-UHFFFAOYSA-N 1 0 334.467 3.595 10 30 EHEERO CCc1cc[n+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000184553139 1032295110 /nfs/dbraw/zinc/29/51/10/1032295110.db2.gz RPLRSCCYYZAETF-INIZCTEOSA-N 1 0 335.349 3.533 10 30 EHEERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(C#N)s1 ZINC000134966195 1017884414 /nfs/dbraw/zinc/88/44/14/1017884414.db2.gz BCYYUWMTNKHGPP-MPGHIAIKSA-N 1 0 340.496 3.576 10 30 EHEERO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000154181852 1029054042 /nfs/dbraw/zinc/05/40/42/1029054042.db2.gz FZLUVPTVWHABGK-HNNXBMFYSA-N 1 0 341.480 3.798 10 30 EHEERO Cc1cnc([C@H](C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)o1 ZINC000329291283 1030309535 /nfs/dbraw/zinc/30/95/35/1030309535.db2.gz QSZKAJPFXQKZRM-GTPINHCMSA-N 1 0 348.491 3.591 10 30 EHEERO C[C@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180019736 1031832637 /nfs/dbraw/zinc/83/26/37/1031832637.db2.gz GCLZHIGASDKQFW-FUHWJXTLSA-N 1 0 335.451 3.863 10 30 EHEERO C=C[C@H](C)Oc1c(Br)cc(C[C@H](C)[NH3+])cc1OCC ZINC000052144011 214119901 /nfs/dbraw/zinc/11/99/01/214119901.db2.gz SQAJHDQJEZWGTE-QWRGUYRKSA-N 1 0 328.250 3.691 10 30 EHEERO C=CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccc(OC)c(OC)c1 ZINC000036095743 564095957 /nfs/dbraw/zinc/09/59/57/564095957.db2.gz IGVXQDFUFCCSAD-QGZVFWFLSA-N 1 0 345.439 3.626 10 30 EHEERO C[C@H](C(=O)NC1CC1)[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000328689388 1022467746 /nfs/dbraw/zinc/46/77/46/1022467746.db2.gz IAONARRCMCSSJZ-PXAZEXFGSA-N 1 0 327.428 3.591 10 30 EHEERO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)Nc1c(F)cccc1F ZINC000328702626 1022472588 /nfs/dbraw/zinc/47/25/88/1022472588.db2.gz NWWIZALGBCCZNI-MFKMUULPSA-N 1 0 337.370 3.573 10 30 EHEERO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1c(F)cccc1F ZINC000328702627 1022472611 /nfs/dbraw/zinc/47/26/11/1022472611.db2.gz NWWIZALGBCCZNI-ZWNOBZJWSA-N 1 0 337.370 3.573 10 30 EHEERO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000328966860 1022556683 /nfs/dbraw/zinc/55/66/83/1022556683.db2.gz NDGDFVYCFXBMPO-AOIWGVFYSA-N 1 0 349.434 3.816 10 30 EHEERO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000329200926 1025664083 /nfs/dbraw/zinc/66/40/83/1025664083.db2.gz XNLDIOYNFSVBMQ-ZHALLVOQSA-N 1 0 346.519 3.827 10 30 EHEERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000135452729 1028195312 /nfs/dbraw/zinc/19/53/12/1028195312.db2.gz OIYVNYXQACSGIA-MSOLQXFVSA-N 1 0 328.456 3.595 10 30 EHEERO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000245640598 1028960625 /nfs/dbraw/zinc/96/06/25/1028960625.db2.gz KKVYTPQRCRNQRG-FCHUYYIVSA-N 1 0 348.494 3.571 10 30 EHEERO N#CC1(CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CCC1 ZINC000333716431 1138324710 /nfs/dbraw/zinc/32/47/10/1138324710.db2.gz QPHVBTBHAOCQBG-INIZCTEOSA-N 1 0 327.476 3.726 10 30 EHEERO C=CCC[C@@H](CN1CCC[N@@H+](C)CC1)Oc1nc2ccccc2s1 ZINC000107008311 564073286 /nfs/dbraw/zinc/07/32/86/564073286.db2.gz RJGAUFHSQDJGKA-INIZCTEOSA-N 1 0 345.512 3.647 10 30 EHEERO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000284624004 564149040 /nfs/dbraw/zinc/14/90/40/564149040.db2.gz BDLWTQJLPQTZHV-MISYRCLQSA-N 1 0 342.483 3.504 10 30 EHEERO