smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S1(=O)CC[C@H]([NH2+]CCn2c[nH+]cc2-c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000019719547 558258016 /nfs/dbraw/zinc/25/80/16/558258016.db2.gz BWHOKXRCXAGHRA-INIZCTEOSA-N 2 2 405.911 2.166 40 0 HEABLP Cn1cc(CCC(=O)N(CC[NH+]2CCOCC2)C2CC[NH+](C)CC2)c2ccccc21 ZINC000019290398 558862838 /nfs/dbraw/zinc/86/28/38/558862838.db2.gz MXUKYEMRKWSOCN-UHFFFAOYSA-N 2 2 412.578 2.366 40 0 HEABLP CC1CC[NH+](CCC(=O)N2CCO[C@@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)CC1 ZINC000257235510 568786299 /nfs/dbraw/zinc/78/62/99/568786299.db2.gz GYDYSBORZLBUMC-LJQANCHMSA-N 2 2 410.522 2.143 40 0 HEABLP Cc1cc(N2CCC[C@@](O)(CNC(=O)CCC[NH+]3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000257260356 568792880 /nfs/dbraw/zinc/79/28/80/568792880.db2.gz LCNLWQVXSKHHSQ-HSZRJFAPSA-N 2 2 409.534 2.029 40 0 HEABLP Cn1cc(C[N@@H+]2Cc3c(=O)n(C)[nH]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000306129092 568891704 /nfs/dbraw/zinc/89/17/04/568891704.db2.gz HUDGUZFVJCELHP-UHFFFAOYSA-N 2 2 406.534 2.409 40 0 HEABLP Cn1cc(C[N@H+]2Cc3c(=O)n(C)[nH]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000306129092 568891705 /nfs/dbraw/zinc/89/17/05/568891705.db2.gz HUDGUZFVJCELHP-UHFFFAOYSA-N 2 2 406.534 2.409 40 0 HEABLP O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)O1 ZINC000306130524 568892919 /nfs/dbraw/zinc/89/29/19/568892919.db2.gz JIVKQAVOUAAOSG-GGAORHGYSA-N 2 2 410.518 2.245 40 0 HEABLP O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)O1 ZINC000306130524 568892920 /nfs/dbraw/zinc/89/29/20/568892920.db2.gz JIVKQAVOUAAOSG-GGAORHGYSA-N 2 2 410.518 2.245 40 0 HEABLP Cc1nn(-c2ccc(F)cc2)c(C)c1-c1c[nH+]cn1CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019719733 558258267 /nfs/dbraw/zinc/25/82/67/558258267.db2.gz RWLAOEIVVFALHI-QGZVFWFLSA-N 2 2 417.510 2.268 40 0 HEABLP COc1ccc(C[N@@H+](Cc2ccnc(N3CC[NH+](C)CC3)n2)C[C@H]2CCCO2)cc1 ZINC000019590142 558940871 /nfs/dbraw/zinc/94/08/71/558940871.db2.gz YNYIDCGNLCZRAC-JOCHJYFZSA-N 2 2 411.550 2.418 40 0 HEABLP COc1ccc(C[N@H+](Cc2ccnc(N3CC[NH+](C)CC3)n2)C[C@H]2CCCO2)cc1 ZINC000019590142 558940873 /nfs/dbraw/zinc/94/08/73/558940873.db2.gz YNYIDCGNLCZRAC-JOCHJYFZSA-N 2 2 411.550 2.418 40 0 HEABLP Cn1ccnc1COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cc1 ZINC000585270705 559116566 /nfs/dbraw/zinc/11/65/66/559116566.db2.gz PHSJDQWKYCGHJF-QHCPKHFHSA-N 2 2 407.518 2.467 40 0 HEABLP Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cc1 ZINC000585270705 559116568 /nfs/dbraw/zinc/11/65/68/559116568.db2.gz PHSJDQWKYCGHJF-QHCPKHFHSA-N 2 2 407.518 2.467 40 0 HEABLP Cc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](Cc4ccccc4)CC3)=[NH+]2)c(C)c1 ZINC000014606992 560846692 /nfs/dbraw/zinc/84/66/92/560846692.db2.gz SJAAHZVELDPEST-OAQYLSRUSA-N 2 2 419.529 2.304 40 0 HEABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(C[NH3+])c3)C2)c2cnccc2[nH+]1 ZINC000257236462 568786523 /nfs/dbraw/zinc/78/65/23/568786523.db2.gz HCIHCPWEWAKHPR-HSZRJFAPSA-N 2 2 405.502 2.110 40 0 HEABLP Cc1[nH+]c2ccccc2n1CCCC(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257236354 568786600 /nfs/dbraw/zinc/78/66/00/568786600.db2.gz HBTVBXGTKPTMOC-MQSCRBSSSA-N 2 2 414.550 2.198 40 0 HEABLP CNc1cc(C[N@H+](C)CC(=O)N2CCCc3ccccc32)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709574 569348039 /nfs/dbraw/zinc/34/80/39/569348039.db2.gz VZIRFKIFQJGZTF-SFHVURJKSA-N 2 2 408.550 2.397 40 0 HEABLP CNc1cc(C[N@@H+](C)CC(=O)N2CCCc3ccccc32)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709574 569348040 /nfs/dbraw/zinc/34/80/40/569348040.db2.gz VZIRFKIFQJGZTF-SFHVURJKSA-N 2 2 408.550 2.397 40 0 HEABLP CN(C)c1cc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709738 569348128 /nfs/dbraw/zinc/34/81/28/569348128.db2.gz DPQMAUFYILYRBL-HNNXBMFYSA-N 2 2 400.502 2.219 40 0 HEABLP CN(C)c1cc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709738 569348129 /nfs/dbraw/zinc/34/81/29/569348129.db2.gz DPQMAUFYILYRBL-HNNXBMFYSA-N 2 2 400.502 2.219 40 0 HEABLP CC(C)NC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C[NH+](C)Cc2ccccc2)nn1 ZINC000008299219 291203464 /nfs/dbraw/zinc/20/34/64/291203464.db2.gz PYPXVEFUSIRPQE-FCEUIQTBSA-N 2 2 410.566 2.145 40 0 biogenic,in-vitro HEABLP CC(C)NC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C[NH+](C)Cc2ccccc2)nn1 ZINC000008299219 291203466 /nfs/dbraw/zinc/20/34/66/291203466.db2.gz PYPXVEFUSIRPQE-FCEUIQTBSA-N 2 2 410.566 2.145 40 0 biogenic,in-vitro HEABLP CC(C)NC(=O)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2Cn1cc(C[N@@H+](C)Cc2ccccc2)nn1 ZINC000008299219 291203473 /nfs/dbraw/zinc/20/34/73/291203473.db2.gz PYPXVEFUSIRPQE-FCEUIQTBSA-N 2 2 410.566 2.145 40 0 biogenic,in-vitro HEABLP Cc1nn(-c2ccccc2C)c(C)c1-c1c[nH+]cn1CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019719675 558258199 /nfs/dbraw/zinc/25/81/99/558258199.db2.gz KQKNUZDLLGALKM-GOSISDBHSA-N 2 2 413.547 2.438 40 0 HEABLP COc1ccc2c(c1)c(C[NH+]1CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)cn2CC(N)=O ZINC000036741487 558802358 /nfs/dbraw/zinc/80/23/58/558802358.db2.gz FBQLRYYVPBUBAT-CALCHBBNSA-N 2 2 414.550 2.209 40 0 HEABLP COc1ccc2c(c1)c(C[NH+]1CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)cn2CC(N)=O ZINC000036741487 558802361 /nfs/dbraw/zinc/80/23/61/558802361.db2.gz FBQLRYYVPBUBAT-CALCHBBNSA-N 2 2 414.550 2.209 40 0 HEABLP CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CC[N@H+](Cc1cc3c(cc1OC)OCCO3)C2 ZINC000019707270 558969451 /nfs/dbraw/zinc/96/94/51/558969451.db2.gz LWLDSSKXRFRFEB-INIZCTEOSA-N 2 2 411.506 2.281 40 0 HEABLP CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CC[N@@H+](Cc1cc3c(cc1OC)OCCO3)C2 ZINC000019707270 558969453 /nfs/dbraw/zinc/96/94/53/558969453.db2.gz LWLDSSKXRFRFEB-INIZCTEOSA-N 2 2 411.506 2.281 40 0 HEABLP O=C(NCc1ccon1)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101965 559025026 /nfs/dbraw/zinc/02/50/26/559025026.db2.gz LEASSSPRZMQJAY-NRFANRHFSA-N 2 2 421.501 2.405 40 0 HEABLP O=C(NCc1ccon1)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101965 559025028 /nfs/dbraw/zinc/02/50/28/559025028.db2.gz LEASSSPRZMQJAY-NRFANRHFSA-N 2 2 421.501 2.405 40 0 HEABLP O[C@@H](CNc1cccc[nH+]1)COc1ccc(OC[C@@H](O)CNc2cccc[nH+]2)cc1 ZINC000000848888 559288950 /nfs/dbraw/zinc/28/89/50/559288950.db2.gz IWSFHQAHRDETLQ-ROUUACIJSA-N 2 2 410.474 2.180 40 0 HEABLP c1ccc2c(c1)nc1n2[C@H]([C@H]2CC=CCC2)NC2=[NH+]CN(CC[NH+]3CCOCC3)CN12 ZINC000059620018 568706663 /nfs/dbraw/zinc/70/66/63/568706663.db2.gz PPLXVXULBDMRMN-GHTZIAJQSA-N 2 2 421.549 2.220 40 0 HEABLP CN(C(=O)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257203756 568777134 /nfs/dbraw/zinc/77/71/34/568777134.db2.gz ARMWWMYJAXVPRJ-NJDAHSKKSA-N 2 2 400.523 2.440 40 0 HEABLP CC(C)(C)c1ccc(OCC(N)=O)c(C[N@@H+]2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)c1 ZINC000257226367 568783938 /nfs/dbraw/zinc/78/39/38/568783938.db2.gz FKIXXNUJSUZDCF-OALUTQOASA-N 2 2 400.523 2.243 40 0 HEABLP CC(C)(C)c1ccc(OCC(N)=O)c(C[N@H+]2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)c1 ZINC000257226367 568783940 /nfs/dbraw/zinc/78/39/40/568783940.db2.gz FKIXXNUJSUZDCF-OALUTQOASA-N 2 2 400.523 2.243 40 0 HEABLP CCNc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328962923 568970017 /nfs/dbraw/zinc/97/00/17/568970017.db2.gz BKRZMZHEWYQFSP-UHFFFAOYSA-N 2 2 411.428 2.062 40 0 HEABLP CCCN1CCCc2cc(-c3c[nH+]cn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719577 558257868 /nfs/dbraw/zinc/25/78/68/558257868.db2.gz WVSMRQZRHWGCFS-LJQANCHMSA-N 2 2 402.564 2.489 40 0 HEABLP CC(C)N1CCCc2cc(-c3c[nH+]cn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719575 558257988 /nfs/dbraw/zinc/25/79/88/558257988.db2.gz RMPIELIJKVAAPZ-LJQANCHMSA-N 2 2 402.564 2.488 40 0 HEABLP COC[C@@H](C)NC(=O)C[NH+]1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCCN12 ZINC000072342679 558940666 /nfs/dbraw/zinc/94/06/66/558940666.db2.gz BAPFOACDBMAKPL-OAHLLOKOSA-N 2 2 419.957 2.161 40 0 HEABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503863 291204936 /nfs/dbraw/zinc/20/49/36/291204936.db2.gz AXQQAEZASFLQCZ-IRFCIJBXSA-N 2 2 402.608 2.242 40 0 biogenic,in-vitro HEABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503863 291204938 /nfs/dbraw/zinc/20/49/38/291204938.db2.gz AXQQAEZASFLQCZ-IRFCIJBXSA-N 2 2 402.608 2.242 40 0 biogenic,in-vitro HEABLP C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(OC)cc3)C2)n1 ZINC000019709557 569348117 /nfs/dbraw/zinc/34/81/17/569348117.db2.gz QBDSSHLCYWVPRS-MRXNPFEDSA-N 2 2 412.538 2.089 40 0 HEABLP C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C2)n1 ZINC000019709557 569348118 /nfs/dbraw/zinc/34/81/18/569348118.db2.gz QBDSSHLCYWVPRS-MRXNPFEDSA-N 2 2 412.538 2.089 40 0 HEABLP C[NH+]1CCN(C(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267514 559108259 /nfs/dbraw/zinc/10/82/59/559108259.db2.gz MYQXGJCJMAXCNO-LJQANCHMSA-N 2 2 404.518 2.106 40 0 HEABLP C[NH+]1CCN(C(=O)c2ccc3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267514 559108261 /nfs/dbraw/zinc/10/82/61/559108261.db2.gz MYQXGJCJMAXCNO-LJQANCHMSA-N 2 2 404.518 2.106 40 0 HEABLP COc1ccc([C@H]2C[N@H+](CC(=O)NCCOc3ccccc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000585261493 559109020 /nfs/dbraw/zinc/10/90/20/559109020.db2.gz ZYOHWNSPFZPREW-DNVJHFABSA-N 2 2 409.530 2.268 40 0 HEABLP COc1ccc([C@H]2C[N@@H+](CC(=O)NCCOc3ccccc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000585261493 559109021 /nfs/dbraw/zinc/10/90/21/559109021.db2.gz ZYOHWNSPFZPREW-DNVJHFABSA-N 2 2 409.530 2.268 40 0 HEABLP CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257228351 568784460 /nfs/dbraw/zinc/78/44/60/568784460.db2.gz FTMPLQZYAZNKOP-HSZRJFAPSA-N 2 2 405.502 2.192 40 0 HEABLP Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(C[NH3+])cc3)C2)c2cnccc2[nH+]1 ZINC000257270753 568795729 /nfs/dbraw/zinc/79/57/29/568795729.db2.gz MVNPIYRDXSEPSG-HSZRJFAPSA-N 2 2 405.502 2.158 40 0 HEABLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)c(OCC(N)=O)c1 ZINC000257340187 568816173 /nfs/dbraw/zinc/81/61/73/568816173.db2.gz ZEYTYMXBJUJZJK-OALUTQOASA-N 2 2 400.523 2.243 40 0 HEABLP CC(C)(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)c(OCC(N)=O)c1 ZINC000257340187 568816174 /nfs/dbraw/zinc/81/61/74/568816174.db2.gz ZEYTYMXBJUJZJK-OALUTQOASA-N 2 2 400.523 2.243 40 0 HEABLP CCOCCCNC(=O)C[NH+]1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCN12 ZINC000072327114 558933832 /nfs/dbraw/zinc/93/38/32/558933832.db2.gz SXHMFPLJPXVMHE-UHFFFAOYSA-N 2 2 419.957 2.163 40 0 HEABLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257342593 559283449 /nfs/dbraw/zinc/28/34/49/559283449.db2.gz ZPJODAOYNDBMBD-HSZRJFAPSA-N 2 2 414.525 2.126 40 0 HEABLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257342593 559283450 /nfs/dbraw/zinc/28/34/50/559283450.db2.gz ZPJODAOYNDBMBD-HSZRJFAPSA-N 2 2 414.525 2.126 40 0 HEABLP CN(C)c1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)nc[nH+]1 ZINC000257264886 559284885 /nfs/dbraw/zinc/28/48/85/559284885.db2.gz LWJVFUJKSKLTER-NRFANRHFSA-N 2 2 403.502 2.012 40 0 HEABLP CN(C)c1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)[nH+]cn1 ZINC000257264886 559284887 /nfs/dbraw/zinc/28/48/87/559284887.db2.gz LWJVFUJKSKLTER-NRFANRHFSA-N 2 2 403.502 2.012 40 0 HEABLP CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)c1cccc(C[NH3+])c1 ZINC000257297773 568803837 /nfs/dbraw/zinc/80/38/37/568803837.db2.gz RISZRKBNPRUCKC-HSZRJFAPSA-N 2 2 405.502 2.192 40 0 HEABLP c1ccc2c(c1)nc1n2[C@@H]([C@@H]2CC=CCC2)NC2=[NH+]CN(CC[NH+]3CCOCC3)CN12 ZINC000226313207 569285018 /nfs/dbraw/zinc/28/50/18/569285018.db2.gz PPLXVXULBDMRMN-NQIIRXRSSA-N 2 2 421.549 2.220 40 0 HEABLP Cc1nn(-c2ccc(F)cc2)c(C)c1-c1c[nH+]cn1CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000019719734 558258277 /nfs/dbraw/zinc/25/82/77/558258277.db2.gz RWLAOEIVVFALHI-KRWDZBQOSA-N 2 2 417.510 2.268 40 0 HEABLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257342594 559283493 /nfs/dbraw/zinc/28/34/93/559283493.db2.gz ZPJODAOYNDBMBD-QHCPKHFHSA-N 2 2 414.525 2.126 40 0 HEABLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257342594 559283495 /nfs/dbraw/zinc/28/34/95/559283495.db2.gz ZPJODAOYNDBMBD-QHCPKHFHSA-N 2 2 414.525 2.126 40 0 HEABLP CN(C)c1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)nc[nH+]1 ZINC000257264887 559284903 /nfs/dbraw/zinc/28/49/03/559284903.db2.gz LWJVFUJKSKLTER-OAQYLSRUSA-N 2 2 403.502 2.012 40 0 HEABLP CN(C)c1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)[nH+]cn1 ZINC000257264887 559284904 /nfs/dbraw/zinc/28/49/04/559284904.db2.gz LWJVFUJKSKLTER-OAQYLSRUSA-N 2 2 403.502 2.012 40 0 HEABLP Cc1cc(N2CCC[C@](O)(CNC(=O)CCC[NH+]3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000257260357 568792866 /nfs/dbraw/zinc/79/28/66/568792866.db2.gz LCNLWQVXSKHHSQ-QHCPKHFHSA-N 2 2 409.534 2.029 40 0 HEABLP FC(F)(F)Oc1cccc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CC3)[nH+]2)c1 ZINC000329072412 568976123 /nfs/dbraw/zinc/97/61/23/568976123.db2.gz ZXUFTFTZILQQSU-UHFFFAOYSA-N 2 2 423.439 2.204 40 0 HEABLP Cc1[nH+]ccn1CC1(O)CCN(C(=O)C2C[NH+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000019287838 558861226 /nfs/dbraw/zinc/86/12/26/558861226.db2.gz MMJPGPVQAHPSMV-UHFFFAOYSA-N 2 2 402.926 2.330 40 0 HEABLP O=C(NCC1CCOCC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000585108746 559030272 /nfs/dbraw/zinc/03/02/72/559030272.db2.gz TUXARAYUXYZETA-MDNUFGMLSA-N 2 2 424.545 2.395 40 0 HEABLP O=C(NCC1CCOCC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000585108746 559030273 /nfs/dbraw/zinc/03/02/73/559030273.db2.gz TUXARAYUXYZETA-MDNUFGMLSA-N 2 2 424.545 2.395 40 0 HEABLP Cn1ccnc1COc1ccc(C[N@H+](C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)cc1 ZINC000585270701 559116417 /nfs/dbraw/zinc/11/64/17/559116417.db2.gz PHSJDQWKYCGHJF-HSZRJFAPSA-N 2 2 407.518 2.467 40 0 HEABLP Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)cc1 ZINC000585270701 559116418 /nfs/dbraw/zinc/11/64/18/559116418.db2.gz PHSJDQWKYCGHJF-HSZRJFAPSA-N 2 2 407.518 2.467 40 0 HEABLP C[N@H+](CC(=O)N1CCO[C@@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1)Cc1ccc(F)cc1 ZINC000257227688 568784386 /nfs/dbraw/zinc/78/43/86/568784386.db2.gz FQLPVGSGQZGNKP-LJQANCHMSA-N 2 2 424.480 2.225 40 0 HEABLP C[N@@H+](CC(=O)N1CCO[C@@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1)Cc1ccc(F)cc1 ZINC000257227688 568784388 /nfs/dbraw/zinc/78/43/88/568784388.db2.gz FQLPVGSGQZGNKP-LJQANCHMSA-N 2 2 424.480 2.225 40 0 HEABLP C[N@H+](CC(=O)N1CCCC[C@H]1CCNC(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000257326092 568812227 /nfs/dbraw/zinc/81/22/27/568812227.db2.gz WVTKUIXAHCYOQW-NRFANRHFSA-N 2 2 400.567 2.214 40 0 HEABLP C[N@@H+](CC(=O)N1CCCC[C@H]1CCNC(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000257326092 568812228 /nfs/dbraw/zinc/81/22/28/568812228.db2.gz WVTKUIXAHCYOQW-NRFANRHFSA-N 2 2 400.567 2.214 40 0 HEABLP COCCN1C[C@@]2(F)C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@]2(F)C1=O ZINC000306126953 568889741 /nfs/dbraw/zinc/88/97/41/568889741.db2.gz FJWNAIPUCUXMJU-FCHUYYIVSA-N 2 2 407.505 2.119 40 0 HEABLP COCCN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@]2(F)C1=O ZINC000306126953 568889744 /nfs/dbraw/zinc/88/97/44/568889744.db2.gz FJWNAIPUCUXMJU-FCHUYYIVSA-N 2 2 407.505 2.119 40 0 HEABLP COc1ccccc1C[NH+]1CCC(O)(c2csc(C[N@@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225422241 291209684 /nfs/dbraw/zinc/20/96/84/291209684.db2.gz DCWYSNSJVBDBRD-QGZVFWFLSA-N 2 2 403.548 2.202 40 0 biogenic,in-vitro HEABLP COc1ccccc1C[NH+]1CCC(O)(c2csc(C[N@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225422241 291209685 /nfs/dbraw/zinc/20/96/85/291209685.db2.gz DCWYSNSJVBDBRD-QGZVFWFLSA-N 2 2 403.548 2.202 40 0 biogenic,in-vitro HEABLP CCOCCOc1ccc(C[NH2+]C[C@@]2(O)CCCN(c3cc(NC)[nH+]cn3)C2)cc1 ZINC000585270037 559116161 /nfs/dbraw/zinc/11/61/61/559116161.db2.gz CJAZMLCTIBGXSW-QFIPXVFZSA-N 2 2 415.538 2.055 40 0 HEABLP CCOCCOc1ccc(C[NH2+]C[C@@]2(O)CCCN(c3cc(NC)nc[nH+]3)C2)cc1 ZINC000585270037 559116163 /nfs/dbraw/zinc/11/61/63/559116163.db2.gz CJAZMLCTIBGXSW-QFIPXVFZSA-N 2 2 415.538 2.055 40 0 HEABLP COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000585271726 559117661 /nfs/dbraw/zinc/11/76/61/559117661.db2.gz GWCVDQKYROFAOP-NRFANRHFSA-N 2 2 400.519 2.399 40 0 HEABLP COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000585271726 559117662 /nfs/dbraw/zinc/11/76/62/559117662.db2.gz GWCVDQKYROFAOP-NRFANRHFSA-N 2 2 400.519 2.399 40 0 HEABLP COc1cc(C[NH2+]C[C@@]2(O)CCN(c3cccc[nH+]3)C2)ccc1OCCC[NH+](C)C ZINC000585273939 559118439 /nfs/dbraw/zinc/11/84/39/559118439.db2.gz TZXPHMDEVWFKSJ-QHCPKHFHSA-N 3 2 414.550 2.152 40 0 HEABLP C[NH+]1CCN(N2C[NH+]=C3N[C@@H]([C@H]4CC=CCC4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171501 560872366 /nfs/dbraw/zinc/87/23/66/560872366.db2.gz ZGZGYXPDSCPVNJ-FXAWDEMLSA-N 2 2 406.538 2.050 40 0 HEABLP Cn1c[nH+]cc1CNc1ncc2c(n1)[C@]1(CC[N@H+](Cc3cccc(O)c3)C1)COC2 ZINC000306136504 568898405 /nfs/dbraw/zinc/89/84/05/568898405.db2.gz PVINOZVNJXGORA-QFIPXVFZSA-N 2 2 406.490 2.202 40 0 HEABLP Cn1c[nH+]cc1CNc1ncc2c(n1)[C@]1(CC[N@@H+](Cc3cccc(O)c3)C1)COC2 ZINC000306136504 568898406 /nfs/dbraw/zinc/89/84/06/568898406.db2.gz PVINOZVNJXGORA-QFIPXVFZSA-N 2 2 406.490 2.202 40 0 HEABLP CNc1cc(C[N@H+](C)CC(=O)N2CCCc3ccccc32)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709573 569348031 /nfs/dbraw/zinc/34/80/31/569348031.db2.gz VZIRFKIFQJGZTF-GOSISDBHSA-N 2 2 408.550 2.397 40 0 HEABLP CNc1cc(C[N@@H+](C)CC(=O)N2CCCc3ccccc32)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709573 569348032 /nfs/dbraw/zinc/34/80/32/569348032.db2.gz VZIRFKIFQJGZTF-GOSISDBHSA-N 2 2 408.550 2.397 40 0 HEABLP CNc1nc(C2CC[NH2+]CC2)nc2c1CC[N@H+](CC(=O)N(C)C1CCCCC1)C2 ZINC000019710904 569428830 /nfs/dbraw/zinc/42/88/30/569428830.db2.gz ZPKKUQYFJHLVGW-UHFFFAOYSA-N 2 2 400.571 2.135 40 0 HEABLP CNc1nc(C2CC[NH2+]CC2)nc2c1CC[N@@H+](CC(=O)N(C)C1CCCCC1)C2 ZINC000019710904 569428833 /nfs/dbraw/zinc/42/88/33/569428833.db2.gz ZPKKUQYFJHLVGW-UHFFFAOYSA-N 2 2 400.571 2.135 40 0 HEABLP c1c(CC2([NH2+]Cc3cccnc3)COC2)noc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000067898452 291213913 /nfs/dbraw/zinc/21/39/13/291213913.db2.gz HYRWYECYVJZYTI-UHFFFAOYSA-N 2 2 419.529 2.493 40 0 biogenic,in-vitro HEABLP O=C1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)o2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019342574 558871983 /nfs/dbraw/zinc/87/19/83/558871983.db2.gz WCKVGAVSBDUEGB-CTNGQTDRSA-N 2 2 405.445 2.500 40 0 HEABLP C[NH+](C)CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019581795 558937112 /nfs/dbraw/zinc/93/71/12/558937112.db2.gz KUACYYWDXIITFM-QGZVFWFLSA-N 2 2 401.536 2.027 40 0 HEABLP C[NH+](C)CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019581795 558937114 /nfs/dbraw/zinc/93/71/14/558937114.db2.gz KUACYYWDXIITFM-QGZVFWFLSA-N 2 2 401.536 2.027 40 0 HEABLP CNc1nc([C@H]2CCC[NH2+]2)nc2c1CC[N@H+](Cc1cc3c(cc1OC)OCCO3)C2 ZINC000019707271 558969485 /nfs/dbraw/zinc/96/94/85/558969485.db2.gz LWLDSSKXRFRFEB-MRXNPFEDSA-N 2 2 411.506 2.281 40 0 HEABLP CNc1nc([C@H]2CCC[NH2+]2)nc2c1CC[N@@H+](Cc1cc3c(cc1OC)OCCO3)C2 ZINC000019707271 558969487 /nfs/dbraw/zinc/96/94/87/558969487.db2.gz LWLDSSKXRFRFEB-MRXNPFEDSA-N 2 2 411.506 2.281 40 0 HEABLP COCCOc1cc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210629 559282523 /nfs/dbraw/zinc/28/25/23/559282523.db2.gz BVNABARWBSWBMJ-HXUWFJFHSA-N 2 2 414.493 2.388 40 0 HEABLP COCCOc1cc(C[N@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210629 559282525 /nfs/dbraw/zinc/28/25/25/559282525.db2.gz BVNABARWBSWBMJ-HXUWFJFHSA-N 2 2 414.493 2.388 40 0 HEABLP C[N@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257326300 559283232 /nfs/dbraw/zinc/28/32/32/559283232.db2.gz WWRMRAHETUJIMJ-HSZRJFAPSA-N 2 2 407.518 2.430 40 0 HEABLP C[N@@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257326300 559283233 /nfs/dbraw/zinc/28/32/33/559283233.db2.gz WWRMRAHETUJIMJ-HSZRJFAPSA-N 2 2 407.518 2.430 40 0 HEABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(C[NH3+])cc3)C2)c2cnccc2[nH+]1 ZINC000257289341 568801167 /nfs/dbraw/zinc/80/11/67/568801167.db2.gz PYFKTQLHUBPFCK-HSZRJFAPSA-N 2 2 405.502 2.110 40 0 HEABLP CN(CC1(O)CCN(c2cc[nH+]c3ccncc32)CC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257323111 568811189 /nfs/dbraw/zinc/81/11/89/568811189.db2.gz WIULQKJQLULMRX-UHFFFAOYSA-N 2 2 405.502 2.192 40 0 HEABLP CC(C)N1CCCc2cc(-c3c[nH+]cn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719576 558257951 /nfs/dbraw/zinc/25/79/51/558257951.db2.gz RMPIELIJKVAAPZ-IBGZPJMESA-N 2 2 402.564 2.488 40 0 HEABLP COc1cccc(C[N@@H+]2Cc3ccccc3[C@@]23CO[C@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143937 559096223 /nfs/dbraw/zinc/09/62/23/559096223.db2.gz JCOMOFLPPAQMMC-LADGPHEKSA-N 2 2 409.530 2.373 40 0 HEABLP COc1cccc(C[N@H+]2Cc3ccccc3[C@@]23CO[C@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143937 559096224 /nfs/dbraw/zinc/09/62/24/559096224.db2.gz JCOMOFLPPAQMMC-LADGPHEKSA-N 2 2 409.530 2.373 40 0 HEABLP COCCOc1cc(C[N@H+](C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)ccc1OC ZINC000257295498 559285770 /nfs/dbraw/zinc/28/57/70/559285770.db2.gz QYOPSYJBOYNZMQ-JOCHJYFZSA-N 2 2 401.507 2.189 40 0 HEABLP COCCOc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)ccc1OC ZINC000257295498 559285772 /nfs/dbraw/zinc/28/57/72/559285772.db2.gz QYOPSYJBOYNZMQ-JOCHJYFZSA-N 2 2 401.507 2.189 40 0 HEABLP CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCC[NH+]1CCCC1 ZINC000257208129 568778584 /nfs/dbraw/zinc/77/85/84/568778584.db2.gz BKWUUQXULINEPM-HSZRJFAPSA-N 2 2 411.550 2.296 40 0 HEABLP CC1CC[NH+](CCC(=O)N2CCO[C@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)CC1 ZINC000257235509 568786376 /nfs/dbraw/zinc/78/63/76/568786376.db2.gz GYDYSBORZLBUMC-IBGZPJMESA-N 2 2 410.522 2.143 40 0 HEABLP Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257324497 568811678 /nfs/dbraw/zinc/81/16/78/568811678.db2.gz WOXVWHIAAAEVMA-DEOSSOPVSA-N 2 2 423.561 2.484 40 0 HEABLP Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257343857 568817150 /nfs/dbraw/zinc/81/71/50/568817150.db2.gz ZURHEPGJPQDSNY-QHCPKHFHSA-N 2 2 409.534 2.142 40 0 HEABLP c1c(CC2([NH2+]Cc3ccncc3)COC2)noc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000067898453 291214127 /nfs/dbraw/zinc/21/41/27/291214127.db2.gz FAJYBJYPVZDNJX-UHFFFAOYSA-N 2 2 419.529 2.493 40 0 biogenic,in-vitro HEABLP COc1ccc2c(c1)c(C[NH+]1CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC1)cn2CC(N)=O ZINC000036741488 558802277 /nfs/dbraw/zinc/80/22/77/558802277.db2.gz FBQLRYYVPBUBAT-IRXDYDNUSA-N 2 2 414.550 2.209 40 0 HEABLP CC(C)Oc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1Cn1cc[nH+]c1 ZINC000019715779 558977001 /nfs/dbraw/zinc/97/70/01/558977001.db2.gz VUTBNNXYLYZOOX-UHFFFAOYSA-N 2 2 411.506 2.235 40 0 HEABLP CCOCCOc1ccc(C[NH2+]C[C@]2(O)CCCN(c3cc(NC)[nH+]cn3)C2)cc1 ZINC000585270035 559116087 /nfs/dbraw/zinc/11/60/87/559116087.db2.gz CJAZMLCTIBGXSW-JOCHJYFZSA-N 2 2 415.538 2.055 40 0 HEABLP CCOCCOc1ccc(C[NH2+]C[C@]2(O)CCCN(c3cc(NC)nc[nH+]3)C2)cc1 ZINC000585270035 559116088 /nfs/dbraw/zinc/11/60/88/559116088.db2.gz CJAZMLCTIBGXSW-JOCHJYFZSA-N 2 2 415.538 2.055 40 0 HEABLP COc1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000585271730 559117697 /nfs/dbraw/zinc/11/76/97/559117697.db2.gz GWCVDQKYROFAOP-OAQYLSRUSA-N 2 2 400.519 2.399 40 0 HEABLP COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000585271730 559117698 /nfs/dbraw/zinc/11/76/98/559117698.db2.gz GWCVDQKYROFAOP-OAQYLSRUSA-N 2 2 400.519 2.399 40 0 HEABLP COc1ccc(C[N@@H+]2CCO[C@]3(C2)CC=CCN(C)C3=O)cc1Cn1cc[nH+]c1C ZINC000257304701 568805898 /nfs/dbraw/zinc/80/58/98/568805898.db2.gz SMTVIEQUDSGVCE-QHCPKHFHSA-N 2 2 410.518 2.238 40 0 HEABLP COc1ccc(C[N@H+]2CCO[C@]3(C2)CC=CCN(C)C3=O)cc1Cn1cc[nH+]c1C ZINC000257304701 568805899 /nfs/dbraw/zinc/80/58/99/568805899.db2.gz SMTVIEQUDSGVCE-QHCPKHFHSA-N 2 2 410.518 2.238 40 0 HEABLP C[N@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2ccco2)nn1)Cc1ccccc1 ZINC000005412549 291205321 /nfs/dbraw/zinc/20/53/21/291205321.db2.gz DOBVHFBSDKZQRI-FNAHDJPLSA-N 2 2 409.490 2.000 40 0 biogenic,in-vitro HEABLP C[N@@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2ccco2)nn1)Cc1ccccc1 ZINC000005412549 291205323 /nfs/dbraw/zinc/20/53/23/291205323.db2.gz DOBVHFBSDKZQRI-FNAHDJPLSA-N 2 2 409.490 2.000 40 0 biogenic,in-vitro HEABLP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000225423095 291206625 /nfs/dbraw/zinc/20/66/25/291206625.db2.gz GELBFIRKHSLSMG-GOSISDBHSA-N 3 2 408.612 2.132 40 0 biogenic,in-vitro HEABLP C[NH+]1CCN(C(=O)c2ncn3c2nccc3C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000096155686 559099852 /nfs/dbraw/zinc/09/98/52/559099852.db2.gz VQDGTNVMTFNTCU-UHFFFAOYSA-N 2 2 418.545 2.497 40 0 HEABLP CCOCCOc1ccc(C[N@H+](C)C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)cc1 ZINC000257333248 559283301 /nfs/dbraw/zinc/28/33/01/559283301.db2.gz YAVGPLOIAOSBTE-QFIPXVFZSA-N 2 2 400.523 2.274 40 0 HEABLP CCOCCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)cc1 ZINC000257333248 559283303 /nfs/dbraw/zinc/28/33/03/559283303.db2.gz YAVGPLOIAOSBTE-QFIPXVFZSA-N 2 2 400.523 2.274 40 0 HEABLP CCOCCOc1ccc(C[N@H+](C)C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)cc1 ZINC000257333247 559283310 /nfs/dbraw/zinc/28/33/10/559283310.db2.gz YAVGPLOIAOSBTE-JOCHJYFZSA-N 2 2 400.523 2.274 40 0 HEABLP CCOCCOc1ccc(C[N@@H+](C)C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)cc1 ZINC000257333247 559283312 /nfs/dbraw/zinc/28/33/12/559283312.db2.gz YAVGPLOIAOSBTE-JOCHJYFZSA-N 2 2 400.523 2.274 40 0 HEABLP COc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000247902508 568746047 /nfs/dbraw/zinc/74/60/47/568746047.db2.gz REOXEECGKPVPMH-TZIWHRDSSA-N 2 2 410.942 2.431 40 0 HEABLP COc1ccc(Cl)cc1C[N@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000247902508 568746048 /nfs/dbraw/zinc/74/60/48/568746048.db2.gz REOXEECGKPVPMH-TZIWHRDSSA-N 2 2 410.942 2.431 40 0 HEABLP CN(C)c1cc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709737 569348226 /nfs/dbraw/zinc/34/82/26/569348226.db2.gz DPQMAUFYILYRBL-OAHLLOKOSA-N 2 2 400.502 2.219 40 0 HEABLP CN(C)c1cc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709737 569348227 /nfs/dbraw/zinc/34/82/27/569348227.db2.gz DPQMAUFYILYRBL-OAHLLOKOSA-N 2 2 400.502 2.219 40 0 HEABLP c1ccc2c(c1)nc1n2C2(CCCCC2)NC2=[NH+]CN(CCC[NH+]3CCOCC3)CN12 ZINC000020676472 558400116 /nfs/dbraw/zinc/40/01/16/558400116.db2.gz TZCDAOOYYUEKHS-UHFFFAOYSA-N 2 2 423.565 2.372 40 0 HEABLP COc1ccc(C[N@H+](Cc2ccnc(N3CCOCC3)n2)C2CC[NH+](C)CC2)cc1 ZINC000019664296 558954892 /nfs/dbraw/zinc/95/48/92/558954892.db2.gz TVOFYFGNBUGTCM-UHFFFAOYSA-N 2 2 411.550 2.418 40 0 HEABLP COc1ccc(C[N@@H+](Cc2ccnc(N3CCOCC3)n2)C2CC[NH+](C)CC2)cc1 ZINC000019664296 558954895 /nfs/dbraw/zinc/95/48/95/558954895.db2.gz TVOFYFGNBUGTCM-UHFFFAOYSA-N 2 2 411.550 2.418 40 0 HEABLP COCCOc1cc(C[N@@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210628 559282544 /nfs/dbraw/zinc/28/25/44/559282544.db2.gz BVNABARWBSWBMJ-FQEVSTJZSA-N 2 2 414.493 2.388 40 0 HEABLP COCCOc1cc(C[N@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210628 559282546 /nfs/dbraw/zinc/28/25/46/559282546.db2.gz BVNABARWBSWBMJ-FQEVSTJZSA-N 2 2 414.493 2.388 40 0 HEABLP C[N@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257326301 559283139 /nfs/dbraw/zinc/28/31/39/559283139.db2.gz WWRMRAHETUJIMJ-QHCPKHFHSA-N 2 2 407.518 2.430 40 0 HEABLP C[N@@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257326301 559283141 /nfs/dbraw/zinc/28/31/41/559283141.db2.gz WWRMRAHETUJIMJ-QHCPKHFHSA-N 2 2 407.518 2.430 40 0 HEABLP C[N@H+](CC(=O)N1CCO[C@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1)Cc1ccc(F)cc1 ZINC000257227687 568784422 /nfs/dbraw/zinc/78/44/22/568784422.db2.gz FQLPVGSGQZGNKP-IBGZPJMESA-N 2 2 424.480 2.225 40 0 HEABLP C[N@@H+](CC(=O)N1CCO[C@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1)Cc1ccc(F)cc1 ZINC000257227687 568784423 /nfs/dbraw/zinc/78/44/23/568784423.db2.gz FQLPVGSGQZGNKP-IBGZPJMESA-N 2 2 424.480 2.225 40 0 HEABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)nc[nH+]1 ZINC000257261775 568793287 /nfs/dbraw/zinc/79/32/87/568793287.db2.gz LITAPFKOPOKTHK-XMMPIXPASA-N 2 2 423.561 2.484 40 0 HEABLP Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]CCC[NH+]3CCOCC3)cc12 ZINC000036740442 558801556 /nfs/dbraw/zinc/80/15/56/558801556.db2.gz HAGQNVHCEHTTOO-UHFFFAOYSA-N 2 2 415.925 2.488 40 0 HEABLP CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)c1cccc(C[NH3+])c1 ZINC000257297774 568803704 /nfs/dbraw/zinc/80/37/04/568803704.db2.gz RISZRKBNPRUCKC-QHCPKHFHSA-N 2 2 405.502 2.192 40 0 HEABLP Cc1cccc(Nc2ccc([C@@H]3C[N@H+](CCC(=O)N4CCOCC4)CCO3)nc2)[nH+]1 ZINC000257317973 568809542 /nfs/dbraw/zinc/80/95/42/568809542.db2.gz VLYQNOMFAWBSCZ-FQEVSTJZSA-N 2 2 411.506 2.151 40 0 HEABLP Cc1cccc(Nc2ccc([C@@H]3C[N@@H+](CCC(=O)N4CCOCC4)CCO3)nc2)[nH+]1 ZINC000257317973 568809543 /nfs/dbraw/zinc/80/95/43/568809543.db2.gz VLYQNOMFAWBSCZ-FQEVSTJZSA-N 2 2 411.506 2.151 40 0 HEABLP O[C@H](CNc1cccc[nH+]1)COc1ccc(OC[C@H](O)CNc2cccc[nH+]2)cc1 ZINC000003169686 568859366 /nfs/dbraw/zinc/85/93/66/568859366.db2.gz IWSFHQAHRDETLQ-QZTJIDSGSA-N 2 2 410.474 2.180 40 0 HEABLP c1ccc2c(c1)nc1n2[C@H]([C@@H]2CC=CCC2)NC2=[NH+]CN(CC[NH+]3CCOCC3)CN12 ZINC000226313214 569285067 /nfs/dbraw/zinc/28/50/67/569285067.db2.gz PPLXVXULBDMRMN-WIYYLYMNSA-N 2 2 421.549 2.220 40 0 HEABLP CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)CC1 ZINC000035425717 291202386 /nfs/dbraw/zinc/20/23/86/291202386.db2.gz LXPVOMJWFHEDLJ-SFHVURJKSA-N 2 2 407.478 2.465 40 0 biogenic,in-vitro HEABLP CC(=O)N1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)CC1 ZINC000035425717 291202388 /nfs/dbraw/zinc/20/23/88/291202388.db2.gz LXPVOMJWFHEDLJ-SFHVURJKSA-N 2 2 407.478 2.465 40 0 biogenic,in-vitro HEABLP COC[C@H](C)NC(=O)C[NH+]1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCCN12 ZINC000072342678 558940698 /nfs/dbraw/zinc/94/06/98/558940698.db2.gz BAPFOACDBMAKPL-HNNXBMFYSA-N 2 2 419.957 2.161 40 0 HEABLP COc1ccc(C[N@@H+](Cc2ccnc(N3CC[NH+](C)CC3)n2)C[C@@H]2CCCO2)cc1 ZINC000019590141 558940825 /nfs/dbraw/zinc/94/08/25/558940825.db2.gz YNYIDCGNLCZRAC-QFIPXVFZSA-N 2 2 411.550 2.418 40 0 HEABLP COc1ccc(C[N@H+](Cc2ccnc(N3CC[NH+](C)CC3)n2)C[C@@H]2CCCO2)cc1 ZINC000019590141 558940828 /nfs/dbraw/zinc/94/08/28/558940828.db2.gz YNYIDCGNLCZRAC-QFIPXVFZSA-N 2 2 411.550 2.418 40 0 HEABLP C[NH+]1CCN(C(=O)c2ccc3ccc(N4CC[NH+](Cc5cccnc5)CC4)n3c2)CC1 ZINC000096155949 559100094 /nfs/dbraw/zinc/10/00/94/559100094.db2.gz BBEOMDAVQWVDNV-UHFFFAOYSA-N 2 2 418.545 2.044 40 0 HEABLP c1ccc2c(c1)nc1n2[C@@H]([C@H]2CC=CCC2)NC2=[NH+]CN(CC[NH+]3CCOCC3)CN12 ZINC000020556124 568455988 /nfs/dbraw/zinc/45/59/88/568455988.db2.gz PPLXVXULBDMRMN-RXVVDRJESA-N 2 2 421.549 2.220 40 0 HEABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)CC1 ZINC000049155128 291205340 /nfs/dbraw/zinc/20/53/40/291205340.db2.gz MHVGJTWGRXDMEF-IBGZPJMESA-N 3 2 411.554 2.115 40 0 biogenic,in-vitro HEABLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)CC1 ZINC000049155128 291205341 /nfs/dbraw/zinc/20/53/41/291205341.db2.gz MHVGJTWGRXDMEF-IBGZPJMESA-N 3 2 411.554 2.115 40 0 biogenic,in-vitro HEABLP COc1ccc(C[NH+]2CCC(O)(c3csc(C[N@@H+]4CC[C@@H](O)C4)n3)CC2)cc1 ZINC000225464769 291208276 /nfs/dbraw/zinc/20/82/76/291208276.db2.gz SXHADMWWDILJIB-QGZVFWFLSA-N 2 2 403.548 2.202 40 0 biogenic,in-vitro HEABLP COc1ccc(C[NH+]2CCC(O)(c3csc(C[N@H+]4CC[C@@H](O)C4)n3)CC2)cc1 ZINC000225464769 291208278 /nfs/dbraw/zinc/20/82/78/291208278.db2.gz SXHADMWWDILJIB-QGZVFWFLSA-N 2 2 403.548 2.202 40 0 biogenic,in-vitro HEABLP CCCN1CCCc2cc(-c3c[nH+]cn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719578 558257916 /nfs/dbraw/zinc/25/79/16/558257916.db2.gz WVSMRQZRHWGCFS-IBGZPJMESA-N 2 2 402.564 2.489 40 0 HEABLP Cn1c[nH+]cc1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000585109506 559029387 /nfs/dbraw/zinc/02/93/87/559029387.db2.gz UZMIWURLPLPMTC-YSGRDPCXSA-N 2 2 404.461 2.242 40 0 HEABLP Cn1c[nH+]cc1C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000585109506 559029388 /nfs/dbraw/zinc/02/93/88/559029388.db2.gz UZMIWURLPLPMTC-YSGRDPCXSA-N 2 2 404.461 2.242 40 0 HEABLP CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1cnn(C)c1)CCC2 ZINC000096056077 559093985 /nfs/dbraw/zinc/09/39/85/559093985.db2.gz NZQMNNFGUCXEPQ-REWPJTCUSA-N 2 2 411.550 2.401 40 0 HEABLP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1cnn(C)c1)CCC2 ZINC000096056077 559093987 /nfs/dbraw/zinc/09/39/87/559093987.db2.gz NZQMNNFGUCXEPQ-REWPJTCUSA-N 2 2 411.550 2.401 40 0 HEABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1cnn(C)c1)CCC2 ZINC000096056077 559093989 /nfs/dbraw/zinc/09/39/89/559093989.db2.gz NZQMNNFGUCXEPQ-REWPJTCUSA-N 2 2 411.550 2.401 40 0 HEABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1cnn(C)c1)CCC2 ZINC000096056077 559093990 /nfs/dbraw/zinc/09/39/90/559093990.db2.gz NZQMNNFGUCXEPQ-REWPJTCUSA-N 2 2 411.550 2.401 40 0 HEABLP COc1cccc(C[N@@H+]2Cc3ccccc3[C@]23CO[C@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143939 559096458 /nfs/dbraw/zinc/09/64/58/559096458.db2.gz JCOMOFLPPAQMMC-UPVQGACJSA-N 2 2 409.530 2.373 40 0 HEABLP COc1cccc(C[N@H+]2Cc3ccccc3[C@]23CO[C@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143939 559096460 /nfs/dbraw/zinc/09/64/60/559096460.db2.gz JCOMOFLPPAQMMC-UPVQGACJSA-N 2 2 409.530 2.373 40 0 HEABLP O=c1c2cnc(N3CC[NH+](Cc4ccccc4)CC3)nc2ccn1CCc1c[nH+]c[nH]1 ZINC000009262589 560758289 /nfs/dbraw/zinc/75/82/89/560758289.db2.gz ALZNEGFDHGAHIB-UHFFFAOYSA-N 2 2 415.501 2.080 40 0 HEABLP O=c1c2cnc(N3CC[NH+](Cc4ccccc4)CC3)nc2ccn1CCc1c[nH]c[nH+]1 ZINC000009262589 560758290 /nfs/dbraw/zinc/75/82/90/560758290.db2.gz ALZNEGFDHGAHIB-UHFFFAOYSA-N 2 2 415.501 2.080 40 0 HEABLP CCc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606975 560846671 /nfs/dbraw/zinc/84/66/71/560846671.db2.gz UJDSASIFJBOSNP-NRFANRHFSA-N 2 2 419.529 2.250 40 0 HEABLP Cc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)nc[nH+]1 ZINC000257282723 568799443 /nfs/dbraw/zinc/79/94/43/568799443.db2.gz OUZSDTQWLVCWSH-HSZRJFAPSA-N 2 2 409.534 2.142 40 0 HEABLP C[N@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2ccccc2)nn1)Cc1ccccc1 ZINC000006137825 291205344 /nfs/dbraw/zinc/20/53/44/291205344.db2.gz FQPBZZOFKFVYEL-CJRSTVEYSA-N 2 2 419.529 2.407 40 0 biogenic,in-vitro HEABLP C[N@@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2ccccc2)nn1)Cc1ccccc1 ZINC000006137825 291205345 /nfs/dbraw/zinc/20/53/45/291205345.db2.gz FQPBZZOFKFVYEL-CJRSTVEYSA-N 2 2 419.529 2.407 40 0 biogenic,in-vitro HEABLP O=S1(=O)CC[C@@H]([NH2+]CCn2c[nH+]cc2-c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000019719546 558257997 /nfs/dbraw/zinc/25/79/97/558257997.db2.gz BWHOKXRCXAGHRA-MRXNPFEDSA-N 2 2 405.911 2.166 40 0 HEABLP COc1cccc(C[N@@H+]2Cc3ccccc3[C@]23CO[C@@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143940 559096447 /nfs/dbraw/zinc/09/64/47/559096447.db2.gz JCOMOFLPPAQMMC-VWNXMTODSA-N 2 2 409.530 2.373 40 0 HEABLP COc1cccc(C[N@H+]2Cc3ccccc3[C@]23CO[C@@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143940 559096448 /nfs/dbraw/zinc/09/64/48/559096448.db2.gz JCOMOFLPPAQMMC-VWNXMTODSA-N 2 2 409.530 2.373 40 0 HEABLP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Br)c1OCc1cccnc1 ZINC000022107414 568475368 /nfs/dbraw/zinc/47/53/68/568475368.db2.gz YLIDERMJWJCRMO-UHFFFAOYSA-N 2 2 410.312 2.103 40 0 HEABLP O[C@@H]1[C@@H]([NH+]2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000012529600 291213926 /nfs/dbraw/zinc/21/39/26/291213926.db2.gz OZAGHCICDXHSSN-HSFUPAIVSA-N 2 2 402.413 2.014 40 0 biogenic,in-vitro HEABLP COc1cc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OCC[NH+]1CCOCC1 ZINC000036743625 558802445 /nfs/dbraw/zinc/80/24/45/558802445.db2.gz MFXJCMJTJJGBBX-XMMPIXPASA-N 2 2 412.530 2.500 40 0 HEABLP COc1cc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OCC[NH+]1CCOCC1 ZINC000036743625 558802446 /nfs/dbraw/zinc/80/24/46/558802446.db2.gz MFXJCMJTJJGBBX-XMMPIXPASA-N 2 2 412.530 2.500 40 0 HEABLP C[N@H+](Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257290323 568801621 /nfs/dbraw/zinc/80/16/21/568801621.db2.gz QCKQFSSLEYCHIL-WOIUINJBSA-N 2 2 403.567 2.268 40 0 HEABLP C[N@@H+](Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257290323 568801622 /nfs/dbraw/zinc/80/16/22/568801622.db2.gz QCKQFSSLEYCHIL-WOIUINJBSA-N 2 2 403.567 2.268 40 0 HEABLP C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(OC)cc3)C2)n1 ZINC000019709558 569348054 /nfs/dbraw/zinc/34/80/54/569348054.db2.gz QBDSSHLCYWVPRS-INIZCTEOSA-N 2 2 412.538 2.089 40 0 HEABLP C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C2)n1 ZINC000019709558 569348055 /nfs/dbraw/zinc/34/80/55/569348055.db2.gz QBDSSHLCYWVPRS-INIZCTEOSA-N 2 2 412.538 2.089 40 0 HEABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5ccccn5)c43)C2)CC1 ZINC000020503709 575370128 /nfs/dbraw/zinc/37/01/28/575370128.db2.gz FVJHGFKBTGWITM-DLBZAZTESA-N 2 2 407.518 2.009 40 0 biogenic,in-vitro HEABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5ccccn5)c43)C2)CC1 ZINC000020503709 575370132 /nfs/dbraw/zinc/37/01/32/575370132.db2.gz FVJHGFKBTGWITM-DLBZAZTESA-N 2 2 407.518 2.009 40 0 biogenic,in-vitro HEABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008635649 291203432 /nfs/dbraw/zinc/20/34/32/291203432.db2.gz GEZUKUQVCYYWRV-CNNODRBYSA-N 2 2 417.573 2.366 40 0 biogenic,in-vitro HEABLP COc1ccc2c(c1)c(C[NH+]1CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC1)cn2CC(N)=O ZINC000036741489 558802227 /nfs/dbraw/zinc/80/22/27/558802227.db2.gz FBQLRYYVPBUBAT-IAGOWNOFSA-N 2 2 414.550 2.209 40 0 HEABLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038831656 558816948 /nfs/dbraw/zinc/81/69/48/558816948.db2.gz VGYLXVMZIGSEGL-UHFFFAOYSA-N 2 2 409.530 2.281 40 0 HEABLP O[C@H](CNc1cccc[nH+]1)COc1ccc(OC[C@@H](O)CNc2cccc[nH+]2)cc1 ZINC000000848889 559288972 /nfs/dbraw/zinc/28/89/72/559288972.db2.gz IWSFHQAHRDETLQ-HDICACEKSA-N 2 2 410.474 2.180 40 0 HEABLP C[NH+](C)CCCNc1nc(NNc2ccc(N[SH](=O)=O)cc2)cc(C2CC2)[nH+]1 ZINC000329029731 568973488 /nfs/dbraw/zinc/97/34/88/568973488.db2.gz QAMFAMTWWHCTKA-UHFFFAOYSA-N 2 2 405.528 2.926 40 0 HEABLP C[NH+]1CCN(N2C[NH+]=C3N[C@H]([C@@H]4CC=CCC4)n4c5ccccc5nc4N3C2)CC1 ZINC000226313350 569285030 /nfs/dbraw/zinc/28/50/30/569285030.db2.gz ZGZGYXPDSCPVNJ-XLIONFOSSA-N 2 2 406.538 2.050 40 0 HEABLP CN(C)c1ccc(NC(=S)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCOCC2)cc1 ZINC000020503812 291205335 /nfs/dbraw/zinc/20/53/35/291205335.db2.gz IVPDLCMZPNGMEF-BBTUJRGHSA-N 2 2 417.623 2.082 40 0 biogenic,in-vitro HEABLP COc1ccccc1C[NH+]1CCC(O)(c2csc(CN3CC[NH+](C)CC3)n2)CC1 ZINC000225471895 291209693 /nfs/dbraw/zinc/20/96/93/291209693.db2.gz TZZLELTZIDVWRG-UHFFFAOYSA-N 2 2 416.591 2.383 40 0 biogenic,in-vitro HEABLP Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503865 291210675 /nfs/dbraw/zinc/21/06/75/291210675.db2.gz XGCACYDHAWAXEA-GBESFXJTSA-N 2 2 409.621 2.033 40 0 biogenic,in-vitro HEABLP Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503865 291210679 /nfs/dbraw/zinc/21/06/79/291210679.db2.gz XGCACYDHAWAXEA-GBESFXJTSA-N 2 2 409.621 2.033 40 0 biogenic,in-vitro HEABLP COc1ccc(C[NH+]2CCC(O)(c3csc(CN4CC[NH+](C)CC4)n3)CC2)cc1 ZINC000225471457 291208269 /nfs/dbraw/zinc/20/82/69/291208269.db2.gz PVTYAZCSXMCNPE-UHFFFAOYSA-N 2 2 416.591 2.383 40 0 biogenic,in-vitro HEABLP COc1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OCC[NH+]1CCOCC1 ZINC000036743628 558802506 /nfs/dbraw/zinc/80/25/06/558802506.db2.gz MFXJCMJTJJGBBX-DEOSSOPVSA-N 2 2 412.530 2.500 40 0 HEABLP COc1cc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OCC[NH+]1CCOCC1 ZINC000036743628 558802509 /nfs/dbraw/zinc/80/25/09/558802509.db2.gz MFXJCMJTJJGBBX-DEOSSOPVSA-N 2 2 412.530 2.500 40 0 HEABLP O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC000019371940 558879212 /nfs/dbraw/zinc/87/92/12/558879212.db2.gz VGKQDFUSGYHHKB-LJQANCHMSA-N 2 2 416.529 2.497 40 0 HEABLP O=c1[nH]c(-c2cnccn2)nc2c1C[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC000019371940 558879214 /nfs/dbraw/zinc/87/92/14/558879214.db2.gz VGKQDFUSGYHHKB-LJQANCHMSA-N 2 2 416.529 2.497 40 0 HEABLP O=c1[nH]c(-c2cnccn2)nc2c1C[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000019371940 558879215 /nfs/dbraw/zinc/87/92/15/558879215.db2.gz VGKQDFUSGYHHKB-LJQANCHMSA-N 2 2 416.529 2.497 40 0 HEABLP O=c1[nH]c(-c2cnccn2)nc2c1C[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000019371940 558879216 /nfs/dbraw/zinc/87/92/16/558879216.db2.gz VGKQDFUSGYHHKB-LJQANCHMSA-N 2 2 416.529 2.497 40 0 HEABLP COc1cccc(C[N@@H+]2Cc3ccccc3[C@@]23CO[C@@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143938 559096424 /nfs/dbraw/zinc/09/64/24/559096424.db2.gz JCOMOFLPPAQMMC-ISKFKSNPSA-N 2 2 409.530 2.373 40 0 HEABLP COc1cccc(C[N@H+]2Cc3ccccc3[C@@]23CO[C@@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143938 559096426 /nfs/dbraw/zinc/09/64/26/559096426.db2.gz JCOMOFLPPAQMMC-ISKFKSNPSA-N 2 2 409.530 2.373 40 0 HEABLP CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCC[NH+]1CCCC1 ZINC000257208130 568778486 /nfs/dbraw/zinc/77/84/86/568778486.db2.gz BKWUUQXULINEPM-QHCPKHFHSA-N 2 2 411.550 2.296 40 0 HEABLP C[NH+](C)CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019581792 558937158 /nfs/dbraw/zinc/93/71/58/558937158.db2.gz KUACYYWDXIITFM-KRWDZBQOSA-N 2 2 401.536 2.027 40 0 HEABLP C[NH+](C)CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019581792 558937161 /nfs/dbraw/zinc/93/71/61/558937161.db2.gz KUACYYWDXIITFM-KRWDZBQOSA-N 2 2 401.536 2.027 40 0 HEABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000585262586 559111153 /nfs/dbraw/zinc/11/11/53/559111153.db2.gz XGDFXDPKNHLWTC-OAQYLSRUSA-N 2 2 400.519 2.269 40 0 HEABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000585262586 559111155 /nfs/dbraw/zinc/11/11/55/559111155.db2.gz XGDFXDPKNHLWTC-OAQYLSRUSA-N 2 2 400.519 2.269 40 0 HEABLP CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257228352 568784494 /nfs/dbraw/zinc/78/44/94/568784494.db2.gz FTMPLQZYAZNKOP-QHCPKHFHSA-N 2 2 405.502 2.192 40 0 HEABLP Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(C[NH3+])cc3)C2)c2cnccc2[nH+]1 ZINC000257270754 568795800 /nfs/dbraw/zinc/79/58/00/568795800.db2.gz MVNPIYRDXSEPSG-QHCPKHFHSA-N 2 2 405.502 2.158 40 0 HEABLP Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257324498 568811716 /nfs/dbraw/zinc/81/17/16/568811716.db2.gz WOXVWHIAAAEVMA-XMMPIXPASA-N 2 2 423.561 2.484 40 0 HEABLP c1c(CC2([NH2+]C3CCOCC3)COC2)noc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000067898455 291213929 /nfs/dbraw/zinc/21/39/29/291213929.db2.gz BQZUOBBKLWRUHD-UHFFFAOYSA-N 2 2 412.534 2.077 40 0 biogenic,in-vitro HEABLP Cc1nn(-c2ccccc2C)c(C)c1-c1c[nH+]cn1CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000019719676 558258131 /nfs/dbraw/zinc/25/81/31/558258131.db2.gz KQKNUZDLLGALKM-SFHVURJKSA-N 2 2 413.547 2.438 40 0 HEABLP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038831650 558816933 /nfs/dbraw/zinc/81/69/33/558816933.db2.gz BBFMVXMAKRMQRE-UHFFFAOYSA-N 2 2 409.530 2.281 40 0 HEABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccnc(N3CC[NH+](C)CC3)n2)o1 ZINC000019216483 558850456 /nfs/dbraw/zinc/85/04/56/558850456.db2.gz HQQZBUCJJBNJLF-UHFFFAOYSA-N 3 2 409.538 2.419 40 0 HEABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccnc(N3CC[NH+](C)CC3)n2)o1 ZINC000019216483 558850458 /nfs/dbraw/zinc/85/04/58/558850458.db2.gz HQQZBUCJJBNJLF-UHFFFAOYSA-N 3 2 409.538 2.419 40 0 HEABLP Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccnc(N3CC[NH+](C)CC3)n2)o1 ZINC000019216483 558850460 /nfs/dbraw/zinc/85/04/60/558850460.db2.gz HQQZBUCJJBNJLF-UHFFFAOYSA-N 2 2 409.538 2.419 40 0 HEABLP Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccnc(N3CC[NH+](C)CC3)n2)o1 ZINC000019216483 558850462 /nfs/dbraw/zinc/85/04/62/558850462.db2.gz HQQZBUCJJBNJLF-UHFFFAOYSA-N 2 2 409.538 2.419 40 0 HEABLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019589749 558940604 /nfs/dbraw/zinc/94/06/04/558940604.db2.gz IZQLYDYEFDECBA-SJORKVTESA-N 2 2 405.955 2.149 40 0 HEABLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019589749 558940607 /nfs/dbraw/zinc/94/06/07/558940607.db2.gz IZQLYDYEFDECBA-SJORKVTESA-N 2 2 405.955 2.149 40 0 HEABLP NC(=O)C[N@@H+]1CCCC[C@H]2C[NH+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC[C@H]21 ZINC000585288684 559123272 /nfs/dbraw/zinc/12/32/72/559123272.db2.gz HMEZOSXQURQSJC-MNSFUXDKSA-N 2 2 401.551 2.009 40 0 HEABLP NC(=O)C[N@H+]1CCCC[C@H]2C[NH+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC[C@H]21 ZINC000585288684 559123274 /nfs/dbraw/zinc/12/32/74/559123274.db2.gz HMEZOSXQURQSJC-MNSFUXDKSA-N 2 2 401.551 2.009 40 0 HEABLP NC(=O)C[NH+]1CCCC[C@H]2C[N@@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC[C@H]21 ZINC000585288684 559123276 /nfs/dbraw/zinc/12/32/76/559123276.db2.gz HMEZOSXQURQSJC-MNSFUXDKSA-N 2 2 401.551 2.009 40 0 HEABLP NC(=O)C[NH+]1CCCC[C@H]2C[N@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC[C@H]21 ZINC000585288684 559123278 /nfs/dbraw/zinc/12/32/78/559123278.db2.gz HMEZOSXQURQSJC-MNSFUXDKSA-N 2 2 401.551 2.009 40 0 HEABLP COCCOc1cc(C[N@H+](C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)ccc1OC ZINC000257295499 559285735 /nfs/dbraw/zinc/28/57/35/559285735.db2.gz QYOPSYJBOYNZMQ-QFIPXVFZSA-N 2 2 401.507 2.189 40 0 HEABLP COCCOc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)ccc1OC ZINC000257295499 559285737 /nfs/dbraw/zinc/28/57/37/559285737.db2.gz QYOPSYJBOYNZMQ-QFIPXVFZSA-N 2 2 401.507 2.189 40 0 HEABLP C[NH+]1CCN(N2C[NH+]=C3N[C@H]([C@H]4CC=CCC4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171498 560872420 /nfs/dbraw/zinc/87/24/20/560872420.db2.gz ZGZGYXPDSCPVNJ-PXNSSMCTSA-N 2 2 406.538 2.050 40 0 HEABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Br)c1OCc1cccnc1 ZINC000022107404 568475343 /nfs/dbraw/zinc/47/53/43/568475343.db2.gz PGZZRBHUDJCYFQ-CQSZACIVSA-N 2 2 424.339 2.492 40 0 HEABLP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000219422326 568491665 /nfs/dbraw/zinc/49/16/65/568491665.db2.gz YOUZIJKQQMCYEO-UHFFFAOYSA-N 2 2 410.356 2.110 40 0 HEABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(C[NH3+])c3)C2)c2cnccc2[nH+]1 ZINC000257236463 568786505 /nfs/dbraw/zinc/78/65/05/568786505.db2.gz HCIHCPWEWAKHPR-QHCPKHFHSA-N 2 2 405.502 2.110 40 0 HEABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000585262582 559111194 /nfs/dbraw/zinc/11/11/94/559111194.db2.gz XGDFXDPKNHLWTC-NRFANRHFSA-N 2 2 400.519 2.269 40 0 HEABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000585262582 559111196 /nfs/dbraw/zinc/11/11/96/559111196.db2.gz XGDFXDPKNHLWTC-NRFANRHFSA-N 2 2 400.519 2.269 40 0 HEABLP O=C(NCc1ccon1)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101968 559025148 /nfs/dbraw/zinc/02/51/48/559025148.db2.gz LEASSSPRZMQJAY-OAQYLSRUSA-N 2 2 421.501 2.405 40 0 HEABLP O=C(NCc1ccon1)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101968 559025149 /nfs/dbraw/zinc/02/51/49/559025149.db2.gz LEASSSPRZMQJAY-OAQYLSRUSA-N 2 2 421.501 2.405 40 0 HEABLP CCc1ccccc1NC(=O)[C@H]1CC(=O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606976 560846723 /nfs/dbraw/zinc/84/67/23/560846723.db2.gz UJDSASIFJBOSNP-OAQYLSRUSA-N 2 2 419.529 2.250 40 0 HEABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Br)c1OCc1cccnc1 ZINC000022107410 568475358 /nfs/dbraw/zinc/47/53/58/568475358.db2.gz PGZZRBHUDJCYFQ-AWEZNQCLSA-N 2 2 424.339 2.492 40 0 HEABLP C[NH+](C)CCn1ccc(-c2nc(C(=O)NCCCn3cc[nH+]c3)c3ccccn32)c1 ZINC000306140739 568902598 /nfs/dbraw/zinc/90/25/98/568902598.db2.gz VCUGVPKFFYBVOU-UHFFFAOYSA-N 2 2 405.506 2.381 40 0 HEABLP COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCC(C)CC2)cc1 ZINC000012602510 291208772 /nfs/dbraw/zinc/20/87/72/291208772.db2.gz UIAFSNMWUCOONI-SLFFLAALSA-N 2 2 421.607 2.416 40 0 biogenic,in-vitro HEABLP COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCC(C)CC2)cc1 ZINC000012602510 291208774 /nfs/dbraw/zinc/20/87/74/291208774.db2.gz UIAFSNMWUCOONI-SLFFLAALSA-N 2 2 421.607 2.416 40 0 biogenic,in-vitro HEABLP COc1cc(C[NH2+]C[C@]2(O)CCN(c3cccc[nH+]3)C2)ccc1OCCC[NH+](C)C ZINC000585273937 559118484 /nfs/dbraw/zinc/11/84/84/559118484.db2.gz TZXPHMDEVWFKSJ-HSZRJFAPSA-N 3 2 414.550 2.152 40 0 HEABLP O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000219422436 568491755 /nfs/dbraw/zinc/49/17/55/568491755.db2.gz NBCUCXAPGUSLIK-UHFFFAOYSA-N 2 2 424.383 2.500 40 0 HEABLP COc1ccc(C[N@@H+]2CCO[C@@]3(C2)CC=CCN(C)C3=O)cc1Cn1cc[nH+]c1C ZINC000257304700 568805861 /nfs/dbraw/zinc/80/58/61/568805861.db2.gz SMTVIEQUDSGVCE-HSZRJFAPSA-N 2 2 410.518 2.238 40 0 HEABLP COc1ccc(C[N@H+]2CCO[C@@]3(C2)CC=CCN(C)C3=O)cc1Cn1cc[nH+]c1C ZINC000257304700 568805863 /nfs/dbraw/zinc/80/58/63/568805863.db2.gz SMTVIEQUDSGVCE-HSZRJFAPSA-N 2 2 410.518 2.238 40 0 HEABLP C[NH+]1CCN(N2C[NH+]=C3N[C@@H]([C@@H]4CC=CCC4)n4c5ccccc5nc4N3C2)CC1 ZINC000226313342 569284993 /nfs/dbraw/zinc/28/49/93/569284993.db2.gz ZGZGYXPDSCPVNJ-YLJYHZDGSA-N 2 2 406.538 2.050 40 0 HEABLP C[N@H+](CCc1ccccc1)[C@H]1[C@@H](C[NH2+]Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465833 575368663 /nfs/dbraw/zinc/36/86/63/575368663.db2.gz AEHNFKJRMFLJNX-CLAROIROSA-N 2 2 404.938 2.093 40 0 biogenic,in-vitro HEABLP C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](C[NH2+]Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465833 575368666 /nfs/dbraw/zinc/36/86/66/575368666.db2.gz AEHNFKJRMFLJNX-CLAROIROSA-N 2 2 404.938 2.093 40 0 biogenic,in-vitro HEABLP C[NH+](C)C[C@H]1O[C@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)CC[C@@H]1O ZINC000096296061 291204972 /nfs/dbraw/zinc/20/49/72/291204972.db2.gz PBPNJONBMNICGS-ACIOBRDBSA-N 2 2 414.550 2.009 40 0 biogenic,in-vitro HEABLP CC[NH+]1CCN(C(=O)Nc2ccc(C)c(NC(=O)N3CC[NH+](CC)CC3)c2)CC1 ZINC000006463068 557703855 /nfs/dbraw/zinc/70/38/55/557703855.db2.gz MZRWASQNKRESGF-UHFFFAOYSA-N 2 2 402.543 2.334 40 0 HEABLP C[NH+]1CCN(C(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267515 559108192 /nfs/dbraw/zinc/10/81/92/559108192.db2.gz MYQXGJCJMAXCNO-IBGZPJMESA-N 2 2 404.518 2.106 40 0 HEABLP C[NH+]1CCN(C(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267515 559108193 /nfs/dbraw/zinc/10/81/93/559108193.db2.gz MYQXGJCJMAXCNO-IBGZPJMESA-N 2 2 404.518 2.106 40 0 HEABLP O=C1CCCN1CCCOc1ccc(C[NH2+]C[C@]2(O)CCN(c3cccc[nH+]3)C2)cc1 ZINC000585270553 559116548 /nfs/dbraw/zinc/11/65/48/559116548.db2.gz MJTNYSOTMQLESG-XMMPIXPASA-N 2 2 424.545 2.204 40 0 HEABLP O=C1CCCN1CCCOc1ccc(C[NH2+]C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cc1 ZINC000585270544 559116530 /nfs/dbraw/zinc/11/65/30/559116530.db2.gz MJTNYSOTMQLESG-DEOSSOPVSA-N 2 2 424.545 2.204 40 0 HEABLP Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](Cc4ccccc4)CC3)=[NH+]2)c(C)c1 ZINC000014606991 560846745 /nfs/dbraw/zinc/84/67/45/560846745.db2.gz SJAAHZVELDPEST-NRFANRHFSA-N 2 2 419.529 2.304 40 0 HEABLP CN(CC1(O)CCN(c2cc[nH+]c3ccncc32)CC1)C(=O)c1cccc(C[NH3+])c1 ZINC000257277936 568798051 /nfs/dbraw/zinc/79/80/51/568798051.db2.gz OACBUFJGIQSMLT-UHFFFAOYSA-N 2 2 405.502 2.192 40 0 HEABLP Cc1cc(N2CC[C@](O)(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)nc[nH+]1 ZINC000257282724 568799281 /nfs/dbraw/zinc/79/92/81/568799281.db2.gz OUZSDTQWLVCWSH-QHCPKHFHSA-N 2 2 409.534 2.142 40 0 HEABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(C[NH3+])cc3)C2)c2cnccc2[nH+]1 ZINC000257289342 568801171 /nfs/dbraw/zinc/80/11/71/568801171.db2.gz PYFKTQLHUBPFCK-QHCPKHFHSA-N 2 2 405.502 2.110 40 0 HEABLP C[N@H+](CC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000257326093 568812216 /nfs/dbraw/zinc/81/22/16/568812216.db2.gz WVTKUIXAHCYOQW-OAQYLSRUSA-N 2 2 400.567 2.214 40 0 HEABLP C[N@@H+](CC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000257326093 568812218 /nfs/dbraw/zinc/81/22/18/568812218.db2.gz WVTKUIXAHCYOQW-OAQYLSRUSA-N 2 2 400.567 2.214 40 0 HEABLP Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)nc[nH+]1 ZINC000257343856 568817134 /nfs/dbraw/zinc/81/71/34/568817134.db2.gz ZURHEPGJPQDSNY-HSZRJFAPSA-N 2 2 409.534 2.142 40 0 HEABLP CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCOCC2)cc1 ZINC000020503806 291203268 /nfs/dbraw/zinc/20/32/68/291203268.db2.gz FRRZHVCEFNDZBO-IRFCIJBXSA-N 2 2 400.523 2.053 40 0 biogenic,in-vitro HEABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCN(C(C)=O)CC4)CCN3C(C)(C)C2)cc1 ZINC000253398956 291208292 /nfs/dbraw/zinc/20/82/92/291208292.db2.gz HVYSMTPEWHBWRO-JOCHJYFZSA-N 2 2 414.594 2.287 40 0 biogenic,in-vitro HEABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CCN(C(C)=O)CC4)CCN3C(C)(C)C2)cc1 ZINC000253398956 291208294 /nfs/dbraw/zinc/20/82/94/291208294.db2.gz HVYSMTPEWHBWRO-JOCHJYFZSA-N 2 2 414.594 2.287 40 0 biogenic,in-vitro HEABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCN(C(C)=O)CC4)CCN3C(C)(C)C2)cc1 ZINC000253398956 291208296 /nfs/dbraw/zinc/20/82/96/291208296.db2.gz HVYSMTPEWHBWRO-JOCHJYFZSA-N 2 2 414.594 2.287 40 0 biogenic,in-vitro HEABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCN(C(C)=O)CC4)CCN3C(C)(C)C2)cc1 ZINC000253398956 291208297 /nfs/dbraw/zinc/20/82/97/291208297.db2.gz HVYSMTPEWHBWRO-JOCHJYFZSA-N 2 2 414.594 2.287 40 0 biogenic,in-vitro HEABLP C[NH+]1CCN(CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1 ZINC000044913753 523896235 /nfs/dbraw/zinc/89/62/35/523896235.db2.gz NMAVCABTJRZSSO-UHFFFAOYSA-N 2 2 410.965 2.445 40 0 HEABLP CN1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1 ZINC000044913753 523896246 /nfs/dbraw/zinc/89/62/46/523896246.db2.gz NMAVCABTJRZSSO-UHFFFAOYSA-N 2 2 410.965 2.445 40 0 HEABLP O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC000019371942 558879531 /nfs/dbraw/zinc/87/95/31/558879531.db2.gz VGKQDFUSGYHHKB-IBGZPJMESA-N 2 2 416.529 2.497 40 0 HEABLP O=c1[nH]c(-c2cnccn2)nc2c1C[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC000019371942 558879534 /nfs/dbraw/zinc/87/95/34/558879534.db2.gz VGKQDFUSGYHHKB-IBGZPJMESA-N 2 2 416.529 2.497 40 0 HEABLP O=c1[nH]c(-c2cnccn2)nc2c1C[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000019371942 558879535 /nfs/dbraw/zinc/87/95/35/558879535.db2.gz VGKQDFUSGYHHKB-IBGZPJMESA-N 2 2 416.529 2.497 40 0 HEABLP O=c1[nH]c(-c2cnccn2)nc2c1C[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000019371942 558879536 /nfs/dbraw/zinc/87/95/36/558879536.db2.gz VGKQDFUSGYHHKB-IBGZPJMESA-N 2 2 416.529 2.497 40 0 HEABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)nc[nH+]1 ZINC000257261774 568793327 /nfs/dbraw/zinc/79/33/27/568793327.db2.gz LITAPFKOPOKTHK-DEOSSOPVSA-N 2 2 423.561 2.484 40 0 HEABLP Cc1cccc(Nc2ccc([C@H]3C[N@H+](CCC(=O)N4CCOCC4)CCO3)nc2)[nH+]1 ZINC000257317974 568809570 /nfs/dbraw/zinc/80/95/70/568809570.db2.gz VLYQNOMFAWBSCZ-HXUWFJFHSA-N 2 2 411.506 2.151 40 0 HEABLP Cc1cccc(Nc2ccc([C@H]3C[N@@H+](CCC(=O)N4CCOCC4)CCO3)nc2)[nH+]1 ZINC000257317974 568809571 /nfs/dbraw/zinc/80/95/71/568809571.db2.gz VLYQNOMFAWBSCZ-HXUWFJFHSA-N 2 2 411.506 2.151 40 0 HEABLP