smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H]1C[C@@H](NCC2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000422830626 1027975349 /nfs/dbraw/zinc/97/53/49/1027975349.db2.gz RFYRQXFSLLLVRM-VQTJNVASSA-N 2 3 341.524 3.695 20 0 EHADHP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423290752 1028329702 /nfs/dbraw/zinc/32/97/02/1028329702.db2.gz FIDSQHQNYKIKMY-SVMVAKDDSA-N 2 3 337.511 3.707 20 0 EHADHP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556872533 1123161991 /nfs/dbraw/zinc/16/19/91/1123161991.db2.gz PHSRGXJKVFUJTN-BHDDXSALSA-N 2 3 343.559 3.609 20 0 EHADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000377078088 1017319873 /nfs/dbraw/zinc/31/98/73/1017319873.db2.gz NLQLRWKSECOWJJ-AMZGXZFVSA-N 2 3 341.543 3.776 20 0 EHADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000377078088 1017319880 /nfs/dbraw/zinc/31/98/80/1017319880.db2.gz NLQLRWKSECOWJJ-AMZGXZFVSA-N 2 3 341.543 3.776 20 0 EHADHP [NH3+][C@H]1C[C@H](NCC2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000422830622 1027973724 /nfs/dbraw/zinc/97/37/24/1027973724.db2.gz RFYRQXFSLLLVRM-PMACEKPBSA-N 2 3 341.524 3.695 20 0 EHADHP CCN(Cc1ccccc1)C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324473 1034106061 /nfs/dbraw/zinc/10/60/61/1034106061.db2.gz PKMNTZKZYILKSU-UHFFFAOYSA-N 2 3 343.559 3.846 20 0 EHADHP CC[N@H+](Cc1ccccc1)C1CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168324473 1034106076 /nfs/dbraw/zinc/10/60/76/1034106076.db2.gz PKMNTZKZYILKSU-UHFFFAOYSA-N 2 3 343.559 3.846 20 0 EHADHP CC[N@@H+](Cc1ccccc1)C1CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168324473 1034106085 /nfs/dbraw/zinc/10/60/85/1034106085.db2.gz PKMNTZKZYILKSU-UHFFFAOYSA-N 2 3 343.559 3.846 20 0 EHADHP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)c2)CC1 ZINC000623404104 1126946126 /nfs/dbraw/zinc/94/61/26/1126946126.db2.gz QMMDEOZXCURTCH-NRFANRHFSA-N 2 3 343.559 3.881 20 0 EHADHP CC(C)N(C)CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340473683 1017999536 /nfs/dbraw/zinc/99/95/36/1017999536.db2.gz KHXVZRSYENCOJQ-UHFFFAOYSA-N 2 3 331.548 3.750 20 0 EHADHP CC(C)N(C)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340473683 1017999541 /nfs/dbraw/zinc/99/95/41/1017999541.db2.gz KHXVZRSYENCOJQ-UHFFFAOYSA-N 2 3 331.548 3.750 20 0 EHADHP CC(C)CN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000397652926 1018021699 /nfs/dbraw/zinc/02/16/99/1018021699.db2.gz XKCHINYCCXYUTR-UHFFFAOYSA-N 2 3 343.559 3.609 20 0 EHADHP C[C@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862109 1027997360 /nfs/dbraw/zinc/99/73/60/1027997360.db2.gz NKPFFMXJQFONGA-LQWHRVPQSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862109 1027997374 /nfs/dbraw/zinc/99/73/74/1027997374.db2.gz NKPFFMXJQFONGA-LQWHRVPQSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000423294379 1028351491 /nfs/dbraw/zinc/35/14/91/1028351491.db2.gz UITURBVJASZTBH-LUGPXAIHSA-N 2 3 349.522 3.992 20 0 EHADHP C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000311092746 1037241352 /nfs/dbraw/zinc/24/13/52/1037241352.db2.gz ZDSNKEDRACATMW-PZJWPPBQSA-N 2 3 343.559 3.609 20 0 EHADHP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422875962 1028007373 /nfs/dbraw/zinc/00/73/73/1028007373.db2.gz DTONOAMBXMGKJA-YLJYHZDGSA-N 2 3 349.950 3.659 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000414816557 1029367224 /nfs/dbraw/zinc/36/72/24/1029367224.db2.gz PZSRDSDEHGFYQX-KGVIQGDOSA-N 2 3 337.511 3.849 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000414816557 1029367242 /nfs/dbraw/zinc/36/72/42/1029367242.db2.gz PZSRDSDEHGFYQX-KGVIQGDOSA-N 2 3 337.511 3.849 20 0 EHADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000423436527 1028444465 /nfs/dbraw/zinc/44/44/65/1028444465.db2.gz PSTZHDRLKALCQJ-ZHHKINOHSA-N 2 3 343.559 3.784 20 0 EHADHP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000623357806 1126929246 /nfs/dbraw/zinc/92/92/46/1126929246.db2.gz ATYREWNGGKKTKH-NQIIRXRSSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000623357806 1126929249 /nfs/dbraw/zinc/92/92/49/1126929249.db2.gz ATYREWNGGKKTKH-NQIIRXRSSA-N 2 3 343.559 3.881 20 0 EHADHP CN1CCCC[C@@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000624123736 1127256518 /nfs/dbraw/zinc/25/65/18/1127256518.db2.gz RTILRNKFPXTFEA-HWELCPFYSA-N 2 3 343.559 3.751 20 0 EHADHP CN1CCCC[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000624123736 1127256520 /nfs/dbraw/zinc/25/65/20/1127256520.db2.gz RTILRNKFPXTFEA-HWELCPFYSA-N 2 3 343.559 3.751 20 0 EHADHP COc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1C[NH+]1CCCCC1 ZINC000854230340 1136599936 /nfs/dbraw/zinc/59/99/36/1136599936.db2.gz NNOCSPJORNCOLJ-YLJYHZDGSA-N 2 3 347.547 3.705 20 0 EHADHP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422875959 1028005878 /nfs/dbraw/zinc/00/58/78/1028005878.db2.gz DTONOAMBXMGKJA-FXAWDEMLSA-N 2 3 349.950 3.659 20 0 EHADHP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)cc2)CC1 ZINC000623346035 1126923733 /nfs/dbraw/zinc/92/37/33/1126923733.db2.gz BMMMRJZLNJNKMF-NRFANRHFSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC(C)([NH+](C)C)CC3)CC2)C1 ZINC000866516361 1137360797 /nfs/dbraw/zinc/36/07/97/1137360797.db2.gz PYUIDEKIACACGP-YLJXDBKYSA-N 2 3 335.580 3.882 20 0 EHADHP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc4c(c2)C[NH2+]C4)C3)cc1 ZINC000423374347 1028377916 /nfs/dbraw/zinc/37/79/16/1028377916.db2.gz IHPBACCDMATSGE-NUNAXRQHSA-N 2 3 347.506 3.575 20 0 EHADHP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000650719260 1030156735 /nfs/dbraw/zinc/15/67/35/1030156735.db2.gz JPCKGTDMJRIWQN-PGRDOPGGSA-N 2 3 337.511 3.549 20 0 EHADHP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000650719260 1030156747 /nfs/dbraw/zinc/15/67/47/1030156747.db2.gz JPCKGTDMJRIWQN-PGRDOPGGSA-N 2 3 337.511 3.549 20 0 EHADHP C[NH+](C)C1CCC([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001168305987 1033759793 /nfs/dbraw/zinc/75/97/93/1033759793.db2.gz XJKADAUNJFHAAH-UHFFFAOYSA-N 2 3 347.522 3.500 20 0 EHADHP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)c2)CC1 ZINC000623404105 1034470754 /nfs/dbraw/zinc/47/07/54/1034470754.db2.gz QMMDEOZXCURTCH-OAQYLSRUSA-N 2 3 343.559 3.881 20 0 EHADHP CC1CC[NH+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)CC1 ZINC000192630940 1036518767 /nfs/dbraw/zinc/51/87/67/1036518767.db2.gz JOKIVOCHNXVESK-FRIKZZABSA-N 2 3 341.543 3.633 20 0 EHADHP CC1CC[NH+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000192675183 1036536562 /nfs/dbraw/zinc/53/65/62/1036536562.db2.gz IRWYHAIULTVRJI-FRIKZZABSA-N 2 3 341.543 3.633 20 0 EHADHP CC[NH+](CC)C1CCC([N@@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001173106722 1131968251 /nfs/dbraw/zinc/96/82/51/1131968251.db2.gz DPACKMXWOXCYIB-KMFTYDHNSA-N 2 3 331.548 3.736 20 0 EHADHP CC[NH+](CC)C1CCC([N@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001173106722 1131968257 /nfs/dbraw/zinc/96/82/57/1131968257.db2.gz DPACKMXWOXCYIB-KMFTYDHNSA-N 2 3 331.548 3.736 20 0 EHADHP CN1C(C)(C)CC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1(C)C ZINC001171627158 1137501696 /nfs/dbraw/zinc/50/16/96/1137501696.db2.gz MOAYJZILFNPUTE-UHFFFAOYSA-N 2 3 335.580 3.740 20 0 EHADHP CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422787468 1027943529 /nfs/dbraw/zinc/94/35/29/1027943529.db2.gz MEESSJYHOCMDHX-MRXNPFEDSA-N 2 3 340.515 3.541 20 0 EHADHP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422876074 1028007683 /nfs/dbraw/zinc/00/76/83/1028007683.db2.gz FYOLFNCULIFIMT-LQWHRVPQSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422876074 1028007703 /nfs/dbraw/zinc/00/77/03/1028007703.db2.gz FYOLFNCULIFIMT-LQWHRVPQSA-N 2 3 329.532 3.539 20 0 EHADHP C[NH2+]Cc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000650719258 1030157020 /nfs/dbraw/zinc/15/70/20/1030157020.db2.gz JPCKGTDMJRIWQN-AVRDEDQJSA-N 2 3 337.511 3.549 20 0 EHADHP C[NH2+]Cc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000650719258 1030157026 /nfs/dbraw/zinc/15/70/26/1030157026.db2.gz JPCKGTDMJRIWQN-AVRDEDQJSA-N 2 3 337.511 3.549 20 0 EHADHP CC1CC[NH+](C2CCC([NH2+]Cc3cc4c(s3)CCNC4)CC2)CC1 ZINC000873211024 1137594044 /nfs/dbraw/zinc/59/40/44/1137594044.db2.gz HMRVJDUDAFJSRS-UHFFFAOYSA-N 2 3 347.572 3.527 20 0 EHADHP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@](C)(C[NH3+])C1 ZINC001167967090 1022173595 /nfs/dbraw/zinc/17/35/95/1022173595.db2.gz BBOYTNBJICHIFM-JPNROTRYSA-N 2 3 333.564 3.525 20 0 EHADHP CCCCN1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000164441327 1042230282 /nfs/dbraw/zinc/23/02/82/1042230282.db2.gz IFEFMVGBHZXIOI-GOSISDBHSA-N 2 3 347.547 3.542 20 0 EHADHP CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422697261 1027859045 /nfs/dbraw/zinc/85/90/45/1027859045.db2.gz UKJPBEXWISFRAF-MRXNPFEDSA-N 2 3 340.515 3.541 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000480722394 1039932502 /nfs/dbraw/zinc/93/25/02/1039932502.db2.gz PSEQDFUWRKVHHQ-MOXWOTFGSA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000480722394 1039932518 /nfs/dbraw/zinc/93/25/18/1039932518.db2.gz PSEQDFUWRKVHHQ-MOXWOTFGSA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)cc2)C1 ZINC000480722394 1039932540 /nfs/dbraw/zinc/93/25/40/1039932540.db2.gz PSEQDFUWRKVHHQ-MOXWOTFGSA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000480722394 1039932557 /nfs/dbraw/zinc/93/25/57/1039932557.db2.gz PSEQDFUWRKVHHQ-MOXWOTFGSA-N 2 3 343.559 3.594 20 0 EHADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115622 1132672572 /nfs/dbraw/zinc/67/25/72/1132672572.db2.gz LRILHAFXABFHBQ-GFXZNLHSSA-N 2 3 345.506 3.523 20 0 EHADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115622 1132672575 /nfs/dbraw/zinc/67/25/75/1132672575.db2.gz LRILHAFXABFHBQ-GFXZNLHSSA-N 2 3 345.506 3.523 20 0 EHADHP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000377078096 1017320398 /nfs/dbraw/zinc/32/03/98/1017320398.db2.gz NLQLRWKSECOWJJ-IRFPFTSISA-N 2 3 341.543 3.776 20 0 EHADHP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000377078096 1017320412 /nfs/dbraw/zinc/32/04/12/1017320412.db2.gz NLQLRWKSECOWJJ-IRFPFTSISA-N 2 3 341.543 3.776 20 0 EHADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000423290751 1028329440 /nfs/dbraw/zinc/32/94/40/1028329440.db2.gz FIDSQHQNYKIKMY-SPEDKVCISA-N 2 3 337.511 3.707 20 0 EHADHP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000865716961 1137306312 /nfs/dbraw/zinc/30/63/12/1137306312.db2.gz JHBGFHLGVLBFMO-UHFFFAOYSA-N 2 3 335.580 3.884 20 0 EHADHP CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1OC ZINC000873273231 1137595965 /nfs/dbraw/zinc/59/59/65/1137595965.db2.gz ZJVQCZNLBKEHBS-IRXDYDNUSA-N 2 3 347.547 3.576 20 0 EHADHP CC[NH+](CC)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167973184 1022485982 /nfs/dbraw/zinc/48/59/82/1022485982.db2.gz IUSMFAORJRESOG-AFQACZAZSA-N 2 3 333.564 3.634 20 0 EHADHP CCN(CC)Cc1cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)ccc1OC ZINC000844925043 1137263213 /nfs/dbraw/zinc/26/32/13/1137263213.db2.gz PDIVHRQLWIIAFO-KRWDZBQOSA-N 2 3 347.547 3.577 20 0 EHADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC(C)([NH+](C)C)CC3)CC2)C1 ZINC000866516359 1137360673 /nfs/dbraw/zinc/36/06/73/1137360673.db2.gz PYUIDEKIACACGP-OMZYAQQMSA-N 2 3 335.580 3.882 20 0 EHADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000643547295 1014504744 /nfs/dbraw/zinc/50/47/44/1014504744.db2.gz CLLFCBQKUQSTNB-NYLDSWQDSA-N 2 3 341.543 3.694 20 0 EHADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000643547295 1014504755 /nfs/dbraw/zinc/50/47/55/1014504755.db2.gz CLLFCBQKUQSTNB-NYLDSWQDSA-N 2 3 341.543 3.694 20 0 EHADHP C[C@@H](CCCC[NH3+])[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422880589 1028012344 /nfs/dbraw/zinc/01/23/44/1028012344.db2.gz OQAJUSWTBVHPAG-INIZCTEOSA-N 2 3 337.939 3.659 20 0 EHADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000423282108 1028323543 /nfs/dbraw/zinc/32/35/43/1028323543.db2.gz UWQQMMYADKQKOP-WCHWRFHJSA-N 2 3 329.532 3.537 20 0 EHADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000423282108 1028323555 /nfs/dbraw/zinc/32/35/55/1028323555.db2.gz UWQQMMYADKQKOP-WCHWRFHJSA-N 2 3 329.532 3.537 20 0 EHADHP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)C1 ZINC000248884514 1028959971 /nfs/dbraw/zinc/95/99/71/1028959971.db2.gz LTIOJWUAVOPEAU-AMZGXZFVSA-N 2 3 341.543 3.633 20 0 EHADHP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)C1 ZINC000248884514 1028959983 /nfs/dbraw/zinc/95/99/83/1028959983.db2.gz LTIOJWUAVOPEAU-AMZGXZFVSA-N 2 3 341.543 3.633 20 0 EHADHP C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000311092748 1037240045 /nfs/dbraw/zinc/24/00/45/1037240045.db2.gz ZDSNKEDRACATMW-TZIWHRDSSA-N 2 3 343.559 3.609 20 0 EHADHP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556872536 1123161997 /nfs/dbraw/zinc/16/19/97/1123161997.db2.gz PHSRGXJKVFUJTN-FDFHNCONSA-N 2 3 343.559 3.609 20 0 EHADHP CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)ccc1OC ZINC000873241808 1137595120 /nfs/dbraw/zinc/59/51/20/1137595120.db2.gz ZVRSOOULMFUVTI-MBOZVWFJSA-N 2 3 347.547 3.705 20 0 EHADHP CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1OC ZINC000873273229 1137595981 /nfs/dbraw/zinc/59/59/81/1137595981.db2.gz ZJVQCZNLBKEHBS-DLBZAZTESA-N 2 3 347.547 3.576 20 0 EHADHP CCN(CC)CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340465992 1017947041 /nfs/dbraw/zinc/94/70/41/1017947041.db2.gz KDJIGSRUXVVHLX-UHFFFAOYSA-N 2 3 331.548 3.751 20 0 EHADHP CCN(CC)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340465992 1017947053 /nfs/dbraw/zinc/94/70/53/1017947053.db2.gz KDJIGSRUXVVHLX-UHFFFAOYSA-N 2 3 331.548 3.751 20 0 EHADHP CC1(C)C[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1 ZINC000709496874 1041271159 /nfs/dbraw/zinc/27/11/59/1041271159.db2.gz ZBCJSPIRHQNACC-FQEVSTJZSA-N 2 3 341.543 3.505 20 0 EHADHP CC1(C)C[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1 ZINC000709496874 1041271178 /nfs/dbraw/zinc/27/11/78/1041271178.db2.gz ZBCJSPIRHQNACC-FQEVSTJZSA-N 2 3 341.543 3.505 20 0 EHADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000129865671 1122852147 /nfs/dbraw/zinc/85/21/47/1122852147.db2.gz NDZGCLDTYURZFA-GCJKJVERSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000129865671 1122852150 /nfs/dbraw/zinc/85/21/50/1122852150.db2.gz NDZGCLDTYURZFA-GCJKJVERSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@@H]1C[NH+](C)CC[C@@H]1NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000129865671 1122852154 /nfs/dbraw/zinc/85/21/54/1122852154.db2.gz NDZGCLDTYURZFA-GCJKJVERSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@@H]1C[NH+](C)CC[C@@H]1NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000129865671 1122852155 /nfs/dbraw/zinc/85/21/55/1122852155.db2.gz NDZGCLDTYURZFA-GCJKJVERSA-N 2 3 343.559 3.881 20 0 EHADHP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167981762 1022786356 /nfs/dbraw/zinc/78/63/56/1022786356.db2.gz IUSMFAORJRESOG-KUJXNZTCSA-N 2 3 333.564 3.634 20 0 EHADHP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC000623344043 1126923037 /nfs/dbraw/zinc/92/30/37/1126923037.db2.gz VFSLNFSHRFUMDV-FQEVSTJZSA-N 2 3 329.532 3.635 20 0 EHADHP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)cc2)C1 ZINC000623357228 1126931860 /nfs/dbraw/zinc/93/18/60/1126931860.db2.gz DOKRBECBGFCSFD-WIYYLYMNSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)cc2)C1 ZINC000623357228 1126931864 /nfs/dbraw/zinc/93/18/64/1126931864.db2.gz DOKRBECBGFCSFD-WIYYLYMNSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)CN1CCCC1 ZINC000556235920 1122888207 /nfs/dbraw/zinc/88/82/07/1122888207.db2.gz JBPPRBSLAUCUHJ-JSRJAPPDSA-N 2 3 343.559 3.751 20 0 EHADHP C[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)CN1CCCC1 ZINC000556235920 1122888210 /nfs/dbraw/zinc/88/82/10/1122888210.db2.gz JBPPRBSLAUCUHJ-JSRJAPPDSA-N 2 3 343.559 3.751 20 0 EHADHP CC[NH+](CC)C1CCC([N@@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001173106730 1131967946 /nfs/dbraw/zinc/96/79/46/1131967946.db2.gz DPACKMXWOXCYIB-PELRDEGISA-N 2 3 331.548 3.736 20 0 EHADHP CC[NH+](CC)C1CCC([N@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001173106730 1131967956 /nfs/dbraw/zinc/96/79/56/1131967956.db2.gz DPACKMXWOXCYIB-PELRDEGISA-N 2 3 331.548 3.736 20 0 EHADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(C)([NH+](C)C)CC3)CC2)C1 ZINC000866516356 1137360683 /nfs/dbraw/zinc/36/06/83/1137360683.db2.gz PYUIDEKIACACGP-KJJOEJEFSA-N 2 3 335.580 3.882 20 0 EHADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(C)([NH+](C)C)CC3)CC2)C1 ZINC000866516360 1137360793 /nfs/dbraw/zinc/36/07/93/1137360793.db2.gz PYUIDEKIACACGP-QXWDQEIOSA-N 2 3 335.580 3.882 20 0 EHADHP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@@](C)(C[NH3+])C1 ZINC001167967092 1022175007 /nfs/dbraw/zinc/17/50/07/1022175007.db2.gz BBOYTNBJICHIFM-QGRWVYRCSA-N 2 3 333.564 3.525 20 0 EHADHP CC(C)C[N@@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167977801 1022739710 /nfs/dbraw/zinc/73/97/10/1022739710.db2.gz FMJTUHMAJREHAU-UKVDTYTHSA-N 2 3 333.564 3.620 20 0 EHADHP CC(C)C[N@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167977801 1022739714 /nfs/dbraw/zinc/73/97/14/1022739714.db2.gz FMJTUHMAJREHAU-UKVDTYTHSA-N 2 3 333.564 3.620 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000414808518 1029274839 /nfs/dbraw/zinc/27/48/39/1029274839.db2.gz KVNFTSSFOYPNPS-XCYUPCBOSA-N 2 3 349.522 3.707 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000414808518 1029274853 /nfs/dbraw/zinc/27/48/53/1029274853.db2.gz KVNFTSSFOYPNPS-XCYUPCBOSA-N 2 3 349.522 3.707 20 0 EHADHP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000650756718 1030775999 /nfs/dbraw/zinc/77/59/99/1030775999.db2.gz IJHRBQNADVDSIO-WBDAEOGXSA-N 2 3 349.522 3.691 20 0 EHADHP CC1(C)C[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1 ZINC000709496877 1041271993 /nfs/dbraw/zinc/27/19/93/1041271993.db2.gz ZBCJSPIRHQNACC-HXUWFJFHSA-N 2 3 341.543 3.505 20 0 EHADHP CC1(C)C[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1 ZINC000709496877 1041272005 /nfs/dbraw/zinc/27/20/05/1041272005.db2.gz ZBCJSPIRHQNACC-HXUWFJFHSA-N 2 3 341.543 3.505 20 0 EHADHP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623357923 1126929322 /nfs/dbraw/zinc/92/93/22/1126929322.db2.gz GYFYZYIGQVMVBH-NRFANRHFSA-N 2 3 343.559 3.881 20 0 EHADHP CN1C(C)(C)CC([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CC1(C)C ZINC001171627334 1137501548 /nfs/dbraw/zinc/50/15/48/1137501548.db2.gz PVJLYKCMKFJUNE-UHFFFAOYSA-N 2 3 337.596 3.986 20 0 EHADHP C[NH+]1CCC(C[NH2+]C2CCN(C(C)(C)C)CC2)(c2ccccc2)CC1 ZINC000877718879 1137686907 /nfs/dbraw/zinc/68/69/07/1137686907.db2.gz XABSVEVFBKBQPO-UHFFFAOYSA-N 2 3 343.559 3.503 20 0 EHADHP C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089512975 1138200746 /nfs/dbraw/zinc/20/07/46/1138200746.db2.gz SKLVZAFAPPZDHO-QGZVFWFLSA-N 2 3 347.547 3.541 20 0 EHADHP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268855633 1141009065 /nfs/dbraw/zinc/00/90/65/1141009065.db2.gz GSFLSRRFZZKZQL-FCEUIQTBSA-N 2 3 343.559 3.607 20 0 EHADHP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268855633 1141009074 /nfs/dbraw/zinc/00/90/74/1141009074.db2.gz GSFLSRRFZZKZQL-FCEUIQTBSA-N 2 3 343.559 3.607 20 0 EHADHP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422883094 1028016471 /nfs/dbraw/zinc/01/64/71/1028016471.db2.gz UMPHMGDLBZKALT-OXJNMPFZSA-N 2 3 349.950 3.530 20 0 EHADHP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422883093 1028016544 /nfs/dbraw/zinc/01/65/44/1028016544.db2.gz UMPHMGDLBZKALT-JXFKEZNVSA-N 2 3 349.950 3.530 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423294551 1028353435 /nfs/dbraw/zinc/35/34/35/1028353435.db2.gz UVBGXPLAQBOZPX-FGSXEWAUSA-N 2 3 337.511 3.707 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423294551 1028353455 /nfs/dbraw/zinc/35/34/55/1028353455.db2.gz UVBGXPLAQBOZPX-FGSXEWAUSA-N 2 3 337.511 3.707 20 0 EHADHP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc4c(c2)C[NH2+]C4)C3)cc1 ZINC000423374349 1028378177 /nfs/dbraw/zinc/37/81/77/1028378177.db2.gz IHPBACCDMATSGE-WBDAEOGXSA-N 2 3 347.506 3.575 20 0 EHADHP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)cc2)CC1 ZINC000623346036 1126923529 /nfs/dbraw/zinc/92/35/29/1126923529.db2.gz BMMMRJZLNJNKMF-OAQYLSRUSA-N 2 3 343.559 3.881 20 0 EHADHP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623357924 1126929166 /nfs/dbraw/zinc/92/91/66/1126929166.db2.gz GYFYZYIGQVMVBH-OAQYLSRUSA-N 2 3 343.559 3.881 20 0 EHADHP CC[NH+](CC)C1CCC(N2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001173105675 1131968042 /nfs/dbraw/zinc/96/80/42/1131968042.db2.gz APUZSJIDLDPYLY-UHFFFAOYSA-N 2 3 347.522 3.729 20 0 EHADHP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000775391315 1134710042 /nfs/dbraw/zinc/71/00/42/1134710042.db2.gz CWJSORPVROFDML-ZWOKBUDYSA-N 2 3 347.547 3.670 20 0 EHADHP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000775391315 1134710046 /nfs/dbraw/zinc/71/00/46/1134710046.db2.gz CWJSORPVROFDML-ZWOKBUDYSA-N 2 3 347.547 3.670 20 0 EHADHP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268855646 1141010072 /nfs/dbraw/zinc/01/00/72/1141010072.db2.gz GSFLSRRFZZKZQL-HJNYFJLDSA-N 2 3 343.559 3.607 20 0 EHADHP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268855646 1141010080 /nfs/dbraw/zinc/01/00/80/1141010080.db2.gz GSFLSRRFZZKZQL-HJNYFJLDSA-N 2 3 343.559 3.607 20 0 EHADHP C[C@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862111 1027996189 /nfs/dbraw/zinc/99/61/89/1027996189.db2.gz NKPFFMXJQFONGA-LVCYWYKZSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862111 1027996208 /nfs/dbraw/zinc/99/62/08/1027996208.db2.gz NKPFFMXJQFONGA-LVCYWYKZSA-N 2 3 329.532 3.539 20 0 EHADHP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000422907689 1028041179 /nfs/dbraw/zinc/04/11/79/1028041179.db2.gz CAMJHRRJOBBFND-INIZCTEOSA-N 2 3 340.515 3.540 20 0 EHADHP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000422907689 1028041189 /nfs/dbraw/zinc/04/11/89/1028041189.db2.gz CAMJHRRJOBBFND-INIZCTEOSA-N 2 3 340.515 3.540 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000480722396 1039931918 /nfs/dbraw/zinc/93/19/18/1039931918.db2.gz PSEQDFUWRKVHHQ-WEMPKCCASA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000480722396 1039931933 /nfs/dbraw/zinc/93/19/33/1039931933.db2.gz PSEQDFUWRKVHHQ-WEMPKCCASA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)C1 ZINC000480722396 1039931955 /nfs/dbraw/zinc/93/19/55/1039931955.db2.gz PSEQDFUWRKVHHQ-WEMPKCCASA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C1 ZINC000480722396 1039931976 /nfs/dbraw/zinc/93/19/76/1039931976.db2.gz PSEQDFUWRKVHHQ-WEMPKCCASA-N 2 3 343.559 3.594 20 0 EHADHP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000623357805 1126929287 /nfs/dbraw/zinc/92/92/87/1126929287.db2.gz ATYREWNGGKKTKH-GHTZIAJQSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000623357805 1126929289 /nfs/dbraw/zinc/92/92/89/1126929289.db2.gz ATYREWNGGKKTKH-GHTZIAJQSA-N 2 3 343.559 3.881 20 0 EHADHP [NH3+][C@@H]1C[C@H](NCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000397612384 1121826209 /nfs/dbraw/zinc/82/62/09/1121826209.db2.gz RYGDRQJVOILLMI-YADHBBJMSA-N 2 3 335.495 3.633 20 0 EHADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422833608 1027974349 /nfs/dbraw/zinc/97/43/49/1027974349.db2.gz WGMFETPHOSYVRO-GHTZIAJQSA-N 2 3 329.532 3.540 20 0 EHADHP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422883096 1028016187 /nfs/dbraw/zinc/01/61/87/1028016187.db2.gz UMPHMGDLBZKALT-UZLBHIALSA-N 2 3 349.950 3.530 20 0 EHADHP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422883095 1028016982 /nfs/dbraw/zinc/01/69/82/1028016982.db2.gz UMPHMGDLBZKALT-OXQOHEQNSA-N 2 3 349.950 3.530 20 0 EHADHP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000423231526 1028295926 /nfs/dbraw/zinc/29/59/26/1028295926.db2.gz LLTRVLUKULXKOT-QKQBLWMGSA-N 2 3 341.543 3.537 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000414808516 1029275062 /nfs/dbraw/zinc/27/50/62/1029275062.db2.gz KVNFTSSFOYPNPS-KEIZBESESA-N 2 3 349.522 3.707 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000414808516 1029275079 /nfs/dbraw/zinc/27/50/79/1029275079.db2.gz KVNFTSSFOYPNPS-KEIZBESESA-N 2 3 349.522 3.707 20 0 EHADHP CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1OC ZINC000182840333 1125378065 /nfs/dbraw/zinc/37/80/65/1125378065.db2.gz VZEIYBWFLLLSPR-QGZVFWFLSA-N 2 3 347.547 3.529 20 0 EHADHP CN1CCC[C@]2(CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605549 1135961486 /nfs/dbraw/zinc/96/14/86/1135961486.db2.gz URJBYJWVEBAQAO-QFIPXVFZSA-N 2 3 341.543 3.590 20 0 EHADHP CN1CCC[C@]2(CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605549 1135961487 /nfs/dbraw/zinc/96/14/87/1135961487.db2.gz URJBYJWVEBAQAO-QFIPXVFZSA-N 2 3 341.543 3.590 20 0 EHADHP CCCN1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000119733037 1015382207 /nfs/dbraw/zinc/38/22/07/1015382207.db2.gz QCEWKPILVPWNDB-UHFFFAOYSA-N 2 3 329.532 3.637 20 0 EHADHP [NH3+][C@H]1C[C@H](NCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000397612380 1121826343 /nfs/dbraw/zinc/82/63/43/1121826343.db2.gz RYGDRQJVOILLMI-VXKWHMMOSA-N 2 3 335.495 3.633 20 0 EHADHP CCN(CC)Cc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1OC ZINC000182840353 1125378301 /nfs/dbraw/zinc/37/83/01/1125378301.db2.gz VZEIYBWFLLLSPR-KRWDZBQOSA-N 2 3 347.547 3.529 20 0 EHADHP CC[NH+](CC)C1CCC(N2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001173105766 1131968024 /nfs/dbraw/zinc/96/80/24/1131968024.db2.gz DPZKKJSMMQYIIU-UHFFFAOYSA-N 2 3 347.522 3.729 20 0 EHADHP COc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1CN1CCCCC1 ZINC000817976199 1136854510 /nfs/dbraw/zinc/85/45/10/1136854510.db2.gz HWQJUFAWAIWAKN-QZTJIDSGSA-N 2 3 347.547 3.849 20 0 EHADHP CN1C(C)(C)CC([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1(C)C ZINC001171636048 1137504267 /nfs/dbraw/zinc/50/42/67/1137504267.db2.gz DMWFDTRIVNAISE-UHFFFAOYSA-N 2 3 335.580 3.692 20 0 EHADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422833614 1027975475 /nfs/dbraw/zinc/97/54/75/1027975475.db2.gz WGMFETPHOSYVRO-WIYYLYMNSA-N 2 3 329.532 3.540 20 0 EHADHP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000650756717 1030775866 /nfs/dbraw/zinc/77/58/66/1030775866.db2.gz IJHRBQNADVDSIO-NUNAXRQHSA-N 2 3 349.522 3.691 20 0 EHADHP CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048494 1038915694 /nfs/dbraw/zinc/91/56/94/1038915694.db2.gz UYUSEIAYYGPZEB-OEXSPLCWSA-N 2 3 343.559 3.892 20 0 EHADHP CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048494 1038915699 /nfs/dbraw/zinc/91/56/99/1038915699.db2.gz UYUSEIAYYGPZEB-OEXSPLCWSA-N 2 3 343.559 3.892 20 0 EHADHP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268855619 1141009890 /nfs/dbraw/zinc/00/98/90/1141009890.db2.gz GSFLSRRFZZKZQL-CEMLEFRQSA-N 2 3 343.559 3.607 20 0 EHADHP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268855619 1141009897 /nfs/dbraw/zinc/00/98/97/1141009897.db2.gz GSFLSRRFZZKZQL-CEMLEFRQSA-N 2 3 343.559 3.607 20 0 EHADHP [NH3+][C@@H]1C[C@@H](NCC2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000422830628 1027975954 /nfs/dbraw/zinc/97/59/54/1027975954.db2.gz RFYRQXFSLLLVRM-WOJBJXKFSA-N 2 3 341.524 3.695 20 0 EHADHP CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)ccc1OC ZINC000873241809 1137595067 /nfs/dbraw/zinc/59/50/67/1137595067.db2.gz ZVRSOOULMFUVTI-ZWOKBUDYSA-N 2 3 347.547 3.705 20 0 EHADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422833610 1027974928 /nfs/dbraw/zinc/97/49/28/1027974928.db2.gz WGMFETPHOSYVRO-NQIIRXRSSA-N 2 3 329.532 3.540 20 0 EHADHP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000423294380 1028353953 /nfs/dbraw/zinc/35/39/53/1028353953.db2.gz UITURBVJASZTBH-OCYFJXFZSA-N 2 3 349.522 3.992 20 0 EHADHP C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000311092744 1037203324 /nfs/dbraw/zinc/20/33/24/1037203324.db2.gz ZDSNKEDRACATMW-FPOVZHCZSA-N 2 3 343.559 3.609 20 0 EHADHP CC[NH+](CC)C1CCC(N2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001173114721 1131971959 /nfs/dbraw/zinc/97/19/59/1131971959.db2.gz RJHCPNMYSCVAEV-UHFFFAOYSA-N 2 3 339.543 3.538 20 0 EHADHP CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422777225 1027933562 /nfs/dbraw/zinc/93/35/62/1027933562.db2.gz BSQHWTRUPOAGSE-MRXNPFEDSA-N 2 3 340.515 3.541 20 0 EHADHP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000248829494 1028955448 /nfs/dbraw/zinc/95/54/48/1028955448.db2.gz HBLDTYRIFIBLOA-IRFPFTSISA-N 2 3 341.543 3.776 20 0 EHADHP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000248829494 1028955464 /nfs/dbraw/zinc/95/54/64/1028955464.db2.gz HBLDTYRIFIBLOA-IRFPFTSISA-N 2 3 341.543 3.776 20 0 EHADHP CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048495 1038915903 /nfs/dbraw/zinc/91/59/03/1038915903.db2.gz UYUSEIAYYGPZEB-XLCOUGHXSA-N 2 3 343.559 3.892 20 0 EHADHP CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048495 1038915911 /nfs/dbraw/zinc/91/59/11/1038915911.db2.gz UYUSEIAYYGPZEB-XLCOUGHXSA-N 2 3 343.559 3.892 20 0 EHADHP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556872538 1123161899 /nfs/dbraw/zinc/16/18/99/1123161899.db2.gz PHSRGXJKVFUJTN-YPAWHYETSA-N 2 3 343.559 3.609 20 0 EHADHP CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)ccc1OC ZINC000817965202 1136853333 /nfs/dbraw/zinc/85/33/33/1136853333.db2.gz RHARUQFVBACXAO-KRWDZBQOSA-N 2 3 347.547 3.577 20 0 EHADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422833612 1027974607 /nfs/dbraw/zinc/97/46/07/1027974607.db2.gz WGMFETPHOSYVRO-RXVVDRJESA-N 2 3 329.532 3.540 20 0 EHADHP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC001182195276 1133589945 /nfs/dbraw/zinc/58/99/45/1133589945.db2.gz CUFHGFIGECFLLF-QFIPXVFZSA-N 2 3 343.559 3.610 20 0 EHADHP CC[NH+](CC)Cc1cc([C@@H](C)NC2CC[NH+](CC)CC2)ccc1OC ZINC000775366386 1134671241 /nfs/dbraw/zinc/67/12/41/1134671241.db2.gz RNCMOUQRDRYZGM-QGZVFWFLSA-N 2 3 347.547 3.672 20 0 EHADHP CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422777224 1027933894 /nfs/dbraw/zinc/93/38/94/1027933894.db2.gz BSQHWTRUPOAGSE-INIZCTEOSA-N 2 3 340.515 3.541 20 0 EHADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422788173 1027940997 /nfs/dbraw/zinc/94/09/97/1027940997.db2.gz VJDLGVBNPJSFNU-NQIIRXRSSA-N 2 3 329.532 3.540 20 0 EHADHP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340170931 1034366737 /nfs/dbraw/zinc/36/67/37/1034366737.db2.gz ADXULIGGTIGIEU-YADHBBJMSA-N 2 3 337.511 3.673 20 0 EHADHP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340170931 1034366746 /nfs/dbraw/zinc/36/67/46/1034366746.db2.gz ADXULIGGTIGIEU-YADHBBJMSA-N 2 3 337.511 3.673 20 0 EHADHP CCC1([NH3+])CCN(C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000925756854 1042603148 /nfs/dbraw/zinc/60/31/48/1042603148.db2.gz BAZDNDQOJITYHH-UHFFFAOYSA-N 2 3 329.532 3.633 20 0 EHADHP CCC1([NH3+])CCN(C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000925756854 1042603151 /nfs/dbraw/zinc/60/31/51/1042603151.db2.gz BAZDNDQOJITYHH-UHFFFAOYSA-N 2 3 329.532 3.633 20 0 EHADHP [NH3+][C@@H]1C[C@H](NCC2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000422830624 1027973860 /nfs/dbraw/zinc/97/38/60/1027973860.db2.gz RFYRQXFSLLLVRM-UXHICEINSA-N 2 3 341.524 3.695 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000414808515 1029275591 /nfs/dbraw/zinc/27/55/91/1029275591.db2.gz KVNFTSSFOYPNPS-AIZKBTNYSA-N 2 3 349.522 3.707 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000414808515 1029275607 /nfs/dbraw/zinc/27/56/07/1029275607.db2.gz KVNFTSSFOYPNPS-AIZKBTNYSA-N 2 3 349.522 3.707 20 0 EHADHP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000922845763 1129688911 /nfs/dbraw/zinc/68/89/11/1129688911.db2.gz STAXOJKSINVWSY-UHFFFAOYSA-N 2 3 333.564 3.780 20 0 EHADHP CC[NH+]1CCC(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC001182195275 1133590383 /nfs/dbraw/zinc/59/03/83/1133590383.db2.gz CUFHGFIGECFLLF-JOCHJYFZSA-N 2 3 343.559 3.610 20 0 EHADHP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422875961 1028006139 /nfs/dbraw/zinc/00/61/39/1028006139.db2.gz DTONOAMBXMGKJA-XLIONFOSSA-N 2 3 349.950 3.659 20 0 EHADHP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1CN1CCCCC1 ZINC000775381818 1134690005 /nfs/dbraw/zinc/69/00/05/1134690005.db2.gz NCMJGBQXBSSMRI-GOSISDBHSA-N 2 3 347.547 3.674 20 0 EHADHP C[N@H+](CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886623400 1138103358 /nfs/dbraw/zinc/10/33/58/1138103358.db2.gz CQJFJCHNKNRQBL-ONTIZHBOSA-N 2 3 341.543 3.504 20 0 EHADHP C[N@@H+](CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886623400 1138103359 /nfs/dbraw/zinc/10/33/59/1138103359.db2.gz CQJFJCHNKNRQBL-ONTIZHBOSA-N 2 3 341.543 3.504 20 0 EHADHP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422876075 1028007826 /nfs/dbraw/zinc/00/78/26/1028007826.db2.gz FYOLFNCULIFIMT-LVCYWYKZSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422876075 1028007839 /nfs/dbraw/zinc/00/78/39/1028007839.db2.gz FYOLFNCULIFIMT-LVCYWYKZSA-N 2 3 329.532 3.539 20 0 EHADHP CCCN1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000153374052 1036142971 /nfs/dbraw/zinc/14/29/71/1036142971.db2.gz MOGIUSJEQWMBDV-UHFFFAOYSA-N 2 3 329.532 3.637 20 0 EHADHP CN1CCCC[C@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000624123737 1127257098 /nfs/dbraw/zinc/25/70/98/1127257098.db2.gz RTILRNKFPXTFEA-ITAUSPCMSA-N 2 3 343.559 3.751 20 0 EHADHP CN1CCCC[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000624123737 1127257103 /nfs/dbraw/zinc/25/71/03/1127257103.db2.gz RTILRNKFPXTFEA-ITAUSPCMSA-N 2 3 343.559 3.751 20 0 EHADHP COc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1C[NH+]1CCCCC1 ZINC000854230339 1136600101 /nfs/dbraw/zinc/60/01/01/1136600101.db2.gz NNOCSPJORNCOLJ-FXAWDEMLSA-N 2 3 347.547 3.705 20 0 EHADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422788177 1027941114 /nfs/dbraw/zinc/94/11/14/1027941114.db2.gz VJDLGVBNPJSFNU-WIYYLYMNSA-N 2 3 329.532 3.540 20 0 EHADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862107 1027998544 /nfs/dbraw/zinc/99/85/44/1027998544.db2.gz NKPFFMXJQFONGA-DBXWQHBBSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862107 1027998560 /nfs/dbraw/zinc/99/85/60/1027998560.db2.gz NKPFFMXJQFONGA-DBXWQHBBSA-N 2 3 329.532 3.539 20 0 EHADHP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340170929 1034365469 /nfs/dbraw/zinc/36/54/69/1034365469.db2.gz ADXULIGGTIGIEU-FGZHOGPDSA-N 2 3 337.511 3.673 20 0 EHADHP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340170929 1034365476 /nfs/dbraw/zinc/36/54/76/1034365476.db2.gz ADXULIGGTIGIEU-FGZHOGPDSA-N 2 3 337.511 3.673 20 0 EHADHP C[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340170930 1034366384 /nfs/dbraw/zinc/36/63/84/1034366384.db2.gz ADXULIGGTIGIEU-VXKWHMMOSA-N 2 3 337.511 3.673 20 0 EHADHP C[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340170930 1034366402 /nfs/dbraw/zinc/36/64/02/1034366402.db2.gz ADXULIGGTIGIEU-VXKWHMMOSA-N 2 3 337.511 3.673 20 0 EHADHP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161586512 1035266071 /nfs/dbraw/zinc/26/60/71/1035266071.db2.gz VPBOFUBUWWYAJG-FQEVSTJZSA-N 2 3 335.580 3.839 20 0 EHADHP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161586512 1035266077 /nfs/dbraw/zinc/26/60/77/1035266077.db2.gz VPBOFUBUWWYAJG-FQEVSTJZSA-N 2 3 335.580 3.839 20 0 EHADHP C[NH+](C)CCC1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000511539698 1038471596 /nfs/dbraw/zinc/47/15/96/1038471596.db2.gz WWJOLWJMSBKPPN-UHFFFAOYSA-N 2 3 345.575 3.808 20 0 EHADHP C[NH+](C)CCC1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000511539698 1038471604 /nfs/dbraw/zinc/47/16/04/1038471604.db2.gz WWJOLWJMSBKPPN-UHFFFAOYSA-N 2 3 345.575 3.808 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000414816559 1029368137 /nfs/dbraw/zinc/36/81/37/1029368137.db2.gz PZSRDSDEHGFYQX-SPEDKVCISA-N 2 3 337.511 3.849 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000414816559 1029368153 /nfs/dbraw/zinc/36/81/53/1029368153.db2.gz PZSRDSDEHGFYQX-SPEDKVCISA-N 2 3 337.511 3.849 20 0 EHADHP CN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC000623344044 1126922813 /nfs/dbraw/zinc/92/28/13/1126922813.db2.gz VFSLNFSHRFUMDV-HXUWFJFHSA-N 2 3 329.532 3.635 20 0 EHADHP C[N@H+](CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886623401 1138103097 /nfs/dbraw/zinc/10/30/97/1138103097.db2.gz CQJFJCHNKNRQBL-VWPQPMDRSA-N 2 3 341.543 3.504 20 0 EHADHP C[N@@H+](CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886623401 1138103100 /nfs/dbraw/zinc/10/31/00/1138103100.db2.gz CQJFJCHNKNRQBL-VWPQPMDRSA-N 2 3 341.543 3.504 20 0 EHADHP C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000089512994 1138200632 /nfs/dbraw/zinc/20/06/32/1138200632.db2.gz GPRZQTORLFTKAL-KRWDZBQOSA-N 2 3 347.547 3.541 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423294554 1028352641 /nfs/dbraw/zinc/35/26/41/1028352641.db2.gz UVBGXPLAQBOZPX-SPEDKVCISA-N 2 3 337.511 3.707 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423294554 1028352659 /nfs/dbraw/zinc/35/26/59/1028352659.db2.gz UVBGXPLAQBOZPX-SPEDKVCISA-N 2 3 337.511 3.707 20 0 EHADHP C[NH+](C)C1CCC(N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001168305787 1033747323 /nfs/dbraw/zinc/74/73/23/1033747323.db2.gz NAHDTLGGMVWMHC-UHFFFAOYSA-N 2 3 349.950 3.549 20 0 EHADHP CC[NH+]1CCC(CC2CCN(C3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001168389827 1036378981 /nfs/dbraw/zinc/37/89/81/1036378981.db2.gz WVHZFTWOSFLWHJ-UHFFFAOYSA-N 2 3 347.591 3.695 20 0 EHADHP CN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1(C)C ZINC000623344046 1126922837 /nfs/dbraw/zinc/92/28/37/1126922837.db2.gz VIMZRCVUOXYBMR-FQEVSTJZSA-N 2 3 329.532 3.635 20 0 EHADHP CCN(CC)Cc1cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)ccc1OC ZINC000844925044 1137263260 /nfs/dbraw/zinc/26/32/60/1137263260.db2.gz PDIVHRQLWIIAFO-QGZVFWFLSA-N 2 3 347.547 3.577 20 0 EHADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000423290750 1028328313 /nfs/dbraw/zinc/32/83/13/1028328313.db2.gz FIDSQHQNYKIKMY-NPPFBWRTSA-N 2 3 337.511 3.707 20 0 EHADHP C[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)CN1CCCC1 ZINC000556235921 1122887460 /nfs/dbraw/zinc/88/74/60/1122887460.db2.gz JBPPRBSLAUCUHJ-KPQWGBOZSA-N 2 3 343.559 3.751 20 0 EHADHP C[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)CN1CCCC1 ZINC000556235921 1122887470 /nfs/dbraw/zinc/88/74/70/1122887470.db2.gz JBPPRBSLAUCUHJ-KPQWGBOZSA-N 2 3 343.559 3.751 20 0 EHADHP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167981761 1022785052 /nfs/dbraw/zinc/78/50/52/1022785052.db2.gz IUSMFAORJRESOG-HBKVBMIASA-N 2 3 333.564 3.634 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000414816556 1029366949 /nfs/dbraw/zinc/36/69/49/1029366949.db2.gz PZSRDSDEHGFYQX-FGSXEWAUSA-N 2 3 337.511 3.849 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000414816556 1029366958 /nfs/dbraw/zinc/36/69/58/1029366958.db2.gz PZSRDSDEHGFYQX-FGSXEWAUSA-N 2 3 337.511 3.849 20 0 EHADHP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)cc2)C1 ZINC000623357226 1126931919 /nfs/dbraw/zinc/93/19/19/1126931919.db2.gz DOKRBECBGFCSFD-NQIIRXRSSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)cc2)C1 ZINC000623357226 1126931921 /nfs/dbraw/zinc/93/19/21/1126931921.db2.gz DOKRBECBGFCSFD-NQIIRXRSSA-N 2 3 343.559 3.881 20 0 EHADHP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1CN1CCCCC1 ZINC000817976203 1136854325 /nfs/dbraw/zinc/85/43/25/1136854325.db2.gz HWQJUFAWAIWAKN-ZWKOTPCHSA-N 2 3 347.547 3.849 20 0 EHADHP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716629424 1137488017 /nfs/dbraw/zinc/48/80/17/1137488017.db2.gz YVRBGRONFXWPFN-SPGCNSLESA-N 2 3 341.543 3.502 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423294552 1028351245 /nfs/dbraw/zinc/35/12/45/1028351245.db2.gz UVBGXPLAQBOZPX-KGVIQGDOSA-N 2 3 337.511 3.707 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423294552 1028351264 /nfs/dbraw/zinc/35/12/64/1028351264.db2.gz UVBGXPLAQBOZPX-KGVIQGDOSA-N 2 3 337.511 3.707 20 0 EHADHP C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000311092742 1037204561 /nfs/dbraw/zinc/20/45/61/1037204561.db2.gz ZDSNKEDRACATMW-CTNGQTDRSA-N 2 3 343.559 3.609 20 0 EHADHP CN1CCC[C@@]2(CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605548 1135961399 /nfs/dbraw/zinc/96/13/99/1135961399.db2.gz URJBYJWVEBAQAO-JOCHJYFZSA-N 2 3 341.543 3.590 20 0 EHADHP CN1CCC[C@@]2(CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605548 1135961402 /nfs/dbraw/zinc/96/14/02/1135961402.db2.gz URJBYJWVEBAQAO-JOCHJYFZSA-N 2 3 341.543 3.590 20 0 EHADHP C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000089512995 1138200467 /nfs/dbraw/zinc/20/04/67/1138200467.db2.gz GPRZQTORLFTKAL-QGZVFWFLSA-N 2 3 347.547 3.541 20 0 EHADHP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000422856812 1027993628 /nfs/dbraw/zinc/99/36/28/1027993628.db2.gz GPZVELYEDAFTFV-MRXNPFEDSA-N 2 3 340.515 3.540 20 0 EHADHP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[N@H+](C)C(C)C ZINC000422856812 1027993644 /nfs/dbraw/zinc/99/36/44/1027993644.db2.gz GPZVELYEDAFTFV-MRXNPFEDSA-N 2 3 340.515 3.540 20 0 EHADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000423282107 1028323372 /nfs/dbraw/zinc/32/33/72/1028323372.db2.gz UWQQMMYADKQKOP-UEKLYDJUSA-N 2 3 329.532 3.537 20 0 EHADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000423282107 1028323390 /nfs/dbraw/zinc/32/33/90/1028323390.db2.gz UWQQMMYADKQKOP-UEKLYDJUSA-N 2 3 329.532 3.537 20 0 EHADHP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000423436491 1028444222 /nfs/dbraw/zinc/44/42/22/1028444222.db2.gz PRLLACUHFXAMEQ-RBUKOAKNSA-N 2 3 335.580 3.643 20 0 EHADHP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000480889366 1040119654 /nfs/dbraw/zinc/11/96/54/1040119654.db2.gz NDZGCLDTYURZFA-PGRDOPGGSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000480889366 1040119663 /nfs/dbraw/zinc/11/96/63/1040119663.db2.gz NDZGCLDTYURZFA-PGRDOPGGSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1C[NH+](C)CC[C@H]1NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480889366 1040119669 /nfs/dbraw/zinc/11/96/69/1040119669.db2.gz NDZGCLDTYURZFA-PGRDOPGGSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1C[NH+](C)CC[C@H]1NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000480889366 1040119676 /nfs/dbraw/zinc/11/96/76/1040119676.db2.gz NDZGCLDTYURZFA-PGRDOPGGSA-N 2 3 343.559 3.881 20 0 EHADHP CCc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc[nH+]1 ZINC001170528731 1135556180 /nfs/dbraw/zinc/55/61/80/1135556180.db2.gz QHFAWBLMYDMRRT-UHFFFAOYSA-N 2 3 348.494 3.554 20 0 EHADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422876073 1028005646 /nfs/dbraw/zinc/00/56/46/1028005646.db2.gz FYOLFNCULIFIMT-DBXWQHBBSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422876073 1028005668 /nfs/dbraw/zinc/00/56/68/1028005668.db2.gz FYOLFNCULIFIMT-DBXWQHBBSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161586391 1035266238 /nfs/dbraw/zinc/26/62/38/1035266238.db2.gz VPBOFUBUWWYAJG-HXUWFJFHSA-N 2 3 335.580 3.839 20 0 EHADHP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161586391 1035266243 /nfs/dbraw/zinc/26/62/43/1035266243.db2.gz VPBOFUBUWWYAJG-HXUWFJFHSA-N 2 3 335.580 3.839 20 0 EHADHP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268855600 1141009747 /nfs/dbraw/zinc/00/97/47/1141009747.db2.gz GSFLSRRFZZKZQL-BAGYTPMASA-N 2 3 343.559 3.607 20 0 EHADHP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268855600 1141009755 /nfs/dbraw/zinc/00/97/55/1141009755.db2.gz GSFLSRRFZZKZQL-BAGYTPMASA-N 2 3 343.559 3.607 20 0 EHADHP CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422697258 1027856702 /nfs/dbraw/zinc/85/67/02/1027856702.db2.gz UKJPBEXWISFRAF-INIZCTEOSA-N 2 3 340.515 3.541 20 0 EHADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000423436525 1028444722 /nfs/dbraw/zinc/44/47/22/1028444722.db2.gz PSTZHDRLKALCQJ-RYFAJOAYSA-N 2 3 343.559 3.784 20 0 EHADHP CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)ccc1OC ZINC000817965205 1136853091 /nfs/dbraw/zinc/85/30/91/1136853091.db2.gz RHARUQFVBACXAO-QGZVFWFLSA-N 2 3 347.547 3.577 20 0 EHADHP CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1OC ZINC000873268743 1137595752 /nfs/dbraw/zinc/59/57/52/1137595752.db2.gz ZJVQCZNLBKEHBS-IAGOWNOFSA-N 2 3 347.547 3.576 20 0 EHADHP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)C1 ZINC000248884519 1028960560 /nfs/dbraw/zinc/96/05/60/1028960560.db2.gz LTIOJWUAVOPEAU-IRFPFTSISA-N 2 3 341.543 3.633 20 0 EHADHP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)C1 ZINC000248884519 1028960569 /nfs/dbraw/zinc/96/05/69/1028960569.db2.gz LTIOJWUAVOPEAU-IRFPFTSISA-N 2 3 341.543 3.633 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000480692834 1039894560 /nfs/dbraw/zinc/89/45/60/1039894560.db2.gz AOHZJELJHJBZIL-VQQMMKBISA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000480692834 1039894582 /nfs/dbraw/zinc/89/45/82/1039894582.db2.gz AOHZJELJHJBZIL-VQQMMKBISA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000480692834 1039894602 /nfs/dbraw/zinc/89/46/02/1039894602.db2.gz AOHZJELJHJBZIL-VQQMMKBISA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000480692834 1039894624 /nfs/dbraw/zinc/89/46/24/1039894624.db2.gz AOHZJELJHJBZIL-VQQMMKBISA-N 2 3 343.559 3.594 20 0 EHADHP COc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1CN1CCCCC1 ZINC000817947382 1136850246 /nfs/dbraw/zinc/85/02/46/1136850246.db2.gz MQIIKKSZXKIJTB-DZIBYMRMSA-N 2 3 345.531 3.602 20 0 EHADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000643547294 1014505643 /nfs/dbraw/zinc/50/56/43/1014505643.db2.gz CLLFCBQKUQSTNB-KBWCOIMZSA-N 2 3 341.543 3.694 20 0 EHADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000643547294 1014505649 /nfs/dbraw/zinc/50/56/49/1014505649.db2.gz CLLFCBQKUQSTNB-KBWCOIMZSA-N 2 3 341.543 3.694 20 0 EHADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000248829488 1028956052 /nfs/dbraw/zinc/95/60/52/1028956052.db2.gz HBLDTYRIFIBLOA-AMZGXZFVSA-N 2 3 341.543 3.776 20 0 EHADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000248829488 1028956065 /nfs/dbraw/zinc/95/60/65/1028956065.db2.gz HBLDTYRIFIBLOA-AMZGXZFVSA-N 2 3 341.543 3.776 20 0 EHADHP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000249032813 1028979044 /nfs/dbraw/zinc/97/90/44/1028979044.db2.gz RNKHURANOPTJFW-IRFPFTSISA-N 2 3 341.543 3.633 20 0 EHADHP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000249032813 1028979059 /nfs/dbraw/zinc/97/90/59/1028979059.db2.gz RNKHURANOPTJFW-IRFPFTSISA-N 2 3 341.543 3.633 20 0 EHADHP CC1CC[NH+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)c2)CC1 ZINC000192831242 1036556572 /nfs/dbraw/zinc/55/65/72/1036556572.db2.gz DSLWFKIPDJVSRV-FRIKZZABSA-N 2 3 341.543 3.633 20 0 EHADHP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716629429 1137487864 /nfs/dbraw/zinc/48/78/64/1137487864.db2.gz YVRBGRONFXWPFN-ZGQFRPCXSA-N 2 3 341.543 3.502 20 0 EHADHP CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048493 1038916905 /nfs/dbraw/zinc/91/69/05/1038916905.db2.gz UYUSEIAYYGPZEB-JYAXOCDNSA-N 2 3 343.559 3.892 20 0 EHADHP CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048493 1038916915 /nfs/dbraw/zinc/91/69/15/1038916915.db2.gz UYUSEIAYYGPZEB-JYAXOCDNSA-N 2 3 343.559 3.892 20 0 EHADHP [NH3+][C@@H]1C[C@@H](NCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000397612376 1121826904 /nfs/dbraw/zinc/82/69/04/1121826904.db2.gz RYGDRQJVOILLMI-FGZHOGPDSA-N 2 3 335.495 3.633 20 0 EHADHP COc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1CN1CCCCC1 ZINC000817976198 1136854331 /nfs/dbraw/zinc/85/43/31/1136854331.db2.gz HWQJUFAWAIWAKN-MSOLQXFVSA-N 2 3 347.547 3.849 20 0 EHADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422876076 1028007765 /nfs/dbraw/zinc/00/77/65/1028007765.db2.gz FYOLFNCULIFIMT-OPYAIIAOSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422876076 1028007780 /nfs/dbraw/zinc/00/77/80/1028007780.db2.gz FYOLFNCULIFIMT-OPYAIIAOSA-N 2 3 329.532 3.539 20 0 EHADHP C[NH+](C)C1CCC(N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001168304974 1033724680 /nfs/dbraw/zinc/72/46/80/1033724680.db2.gz DPXZIWMVHUFCCP-UHFFFAOYSA-N 2 3 349.950 3.549 20 0 EHADHP CN1CCC[C@@]2(CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641378 1135295585 /nfs/dbraw/zinc/29/55/85/1135295585.db2.gz XIOOSCUMPTVPST-JOCHJYFZSA-N 2 3 341.543 3.590 20 0 EHADHP CN1CCC[C@@]2(CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641378 1135295589 /nfs/dbraw/zinc/29/55/89/1135295589.db2.gz XIOOSCUMPTVPST-JOCHJYFZSA-N 2 3 341.543 3.590 20 0 EHADHP CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1OC ZINC000873268748 1137595742 /nfs/dbraw/zinc/59/57/42/1137595742.db2.gz ZJVQCZNLBKEHBS-SJORKVTESA-N 2 3 347.547 3.576 20 0 EHADHP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423290749 1028327655 /nfs/dbraw/zinc/32/76/55/1028327655.db2.gz FIDSQHQNYKIKMY-NJNPRVFISA-N 2 3 337.511 3.707 20 0 EHADHP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000650719261 1030158195 /nfs/dbraw/zinc/15/81/95/1030158195.db2.gz JPCKGTDMJRIWQN-XMSQKQJNSA-N 2 3 337.511 3.549 20 0 EHADHP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000650719261 1030158212 /nfs/dbraw/zinc/15/82/12/1030158212.db2.gz JPCKGTDMJRIWQN-XMSQKQJNSA-N 2 3 337.511 3.549 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000480692835 1039896122 /nfs/dbraw/zinc/89/61/22/1039896122.db2.gz AOHZJELJHJBZIL-WEMPKCCASA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000480692835 1039896145 /nfs/dbraw/zinc/89/61/45/1039896145.db2.gz AOHZJELJHJBZIL-WEMPKCCASA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000480692835 1039896164 /nfs/dbraw/zinc/89/61/64/1039896164.db2.gz AOHZJELJHJBZIL-WEMPKCCASA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000480692835 1039896185 /nfs/dbraw/zinc/89/61/85/1039896185.db2.gz AOHZJELJHJBZIL-WEMPKCCASA-N 2 3 343.559 3.594 20 0 EHADHP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000623357807 1126928979 /nfs/dbraw/zinc/92/89/79/1126928979.db2.gz ATYREWNGGKKTKH-RXVVDRJESA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000623357807 1126928983 /nfs/dbraw/zinc/92/89/83/1126928983.db2.gz ATYREWNGGKKTKH-RXVVDRJESA-N 2 3 343.559 3.881 20 0 EHADHP [NH3+][C@H]1C[C@@H](NCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000397612372 1121826310 /nfs/dbraw/zinc/82/63/10/1121826310.db2.gz RYGDRQJVOILLMI-FCHUYYIVSA-N 2 3 335.495 3.633 20 0 EHADHP Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc(C)[nH+]1 ZINC001170528809 1135556613 /nfs/dbraw/zinc/55/66/13/1135556613.db2.gz WKFQYYLWLQKWRH-UHFFFAOYSA-N 2 3 348.494 3.608 20 0 EHADHP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@@](C)(C[NH3+])C1 ZINC001167967091 1022173731 /nfs/dbraw/zinc/17/37/31/1022173731.db2.gz BBOYTNBJICHIFM-POZBTDIHSA-N 2 3 333.564 3.525 20 0 EHADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862113 1027997134 /nfs/dbraw/zinc/99/71/34/1027997134.db2.gz NKPFFMXJQFONGA-OPYAIIAOSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862113 1027997154 /nfs/dbraw/zinc/99/71/54/1027997154.db2.gz NKPFFMXJQFONGA-OPYAIIAOSA-N 2 3 329.532 3.539 20 0 EHADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000423436523 1028444192 /nfs/dbraw/zinc/44/41/92/1028444192.db2.gz PSTZHDRLKALCQJ-FVTFTPSCSA-N 2 3 343.559 3.784 20 0 EHADHP C[NH+](C)C1CCC(N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1 ZINC001168306397 1033774931 /nfs/dbraw/zinc/77/49/31/1033774931.db2.gz YTYMCYRFYZNDTB-UHFFFAOYSA-N 2 3 349.950 3.549 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000480722395 1039934284 /nfs/dbraw/zinc/93/42/84/1039934284.db2.gz PSEQDFUWRKVHHQ-VQQMMKBISA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000480722395 1039934306 /nfs/dbraw/zinc/93/43/06/1039934306.db2.gz PSEQDFUWRKVHHQ-VQQMMKBISA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)C1 ZINC000480722395 1039934320 /nfs/dbraw/zinc/93/43/20/1039934320.db2.gz PSEQDFUWRKVHHQ-VQQMMKBISA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000480722395 1039934344 /nfs/dbraw/zinc/93/43/44/1039934344.db2.gz PSEQDFUWRKVHHQ-VQQMMKBISA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000623357808 1126928802 /nfs/dbraw/zinc/92/88/02/1126928802.db2.gz ATYREWNGGKKTKH-WIYYLYMNSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000623357808 1126928805 /nfs/dbraw/zinc/92/88/05/1126928805.db2.gz ATYREWNGGKKTKH-WIYYLYMNSA-N 2 3 343.559 3.881 20 0 EHADHP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000422856811 1027994783 /nfs/dbraw/zinc/99/47/83/1027994783.db2.gz GPZVELYEDAFTFV-INIZCTEOSA-N 2 3 340.515 3.540 20 0 EHADHP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[N@H+](C)C(C)C ZINC000422856811 1027994797 /nfs/dbraw/zinc/99/47/97/1027994797.db2.gz GPZVELYEDAFTFV-INIZCTEOSA-N 2 3 340.515 3.540 20 0 EHADHP C[C@H](CCCC[NH3+])[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422880790 1028012875 /nfs/dbraw/zinc/01/28/75/1028012875.db2.gz OQAJUSWTBVHPAG-MRXNPFEDSA-N 2 3 337.939 3.659 20 0 EHADHP CN1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1(C)C ZINC000623344047 1126922756 /nfs/dbraw/zinc/92/27/56/1126922756.db2.gz VIMZRCVUOXYBMR-HXUWFJFHSA-N 2 3 329.532 3.635 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423294553 1028353674 /nfs/dbraw/zinc/35/36/74/1028353674.db2.gz UVBGXPLAQBOZPX-NPPFBWRTSA-N 2 3 337.511 3.707 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423294553 1028353695 /nfs/dbraw/zinc/35/36/95/1028353695.db2.gz UVBGXPLAQBOZPX-NPPFBWRTSA-N 2 3 337.511 3.707 20 0 EHADHP CC[NH+](CC)C1CCC(N2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001173107231 1131968860 /nfs/dbraw/zinc/96/88/60/1131968860.db2.gz YYMCOQNKNWJFIS-UHFFFAOYSA-N 2 3 329.532 3.589 20 0 EHADHP COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1CN1CCCCC1 ZINC000817947383 1136850576 /nfs/dbraw/zinc/85/05/76/1136850576.db2.gz MQIIKKSZXKIJTB-PBPGXSGUSA-N 2 3 345.531 3.602 20 0 EHADHP C[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340170928 1034366568 /nfs/dbraw/zinc/36/65/68/1034366568.db2.gz ADXULIGGTIGIEU-FCHUYYIVSA-N 2 3 337.511 3.673 20 0 EHADHP C[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340170928 1034366584 /nfs/dbraw/zinc/36/65/84/1034366584.db2.gz ADXULIGGTIGIEU-FCHUYYIVSA-N 2 3 337.511 3.673 20 0 EHADHP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000422907690 1028039948 /nfs/dbraw/zinc/03/99/48/1028039948.db2.gz CAMJHRRJOBBFND-MRXNPFEDSA-N 2 3 340.515 3.540 20 0 EHADHP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000422907690 1028039967 /nfs/dbraw/zinc/03/99/67/1028039967.db2.gz CAMJHRRJOBBFND-MRXNPFEDSA-N 2 3 340.515 3.540 20 0 EHADHP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000775391307 1134709617 /nfs/dbraw/zinc/70/96/17/1134709617.db2.gz CWJSORPVROFDML-ABSDTBQOSA-N 2 3 347.547 3.670 20 0 EHADHP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000775391307 1134709619 /nfs/dbraw/zinc/70/96/19/1134709619.db2.gz CWJSORPVROFDML-ABSDTBQOSA-N 2 3 347.547 3.670 20 0 EHADHP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000886536216 1138092507 /nfs/dbraw/zinc/09/25/07/1138092507.db2.gz DBVUYGSPASVEQL-UHFFFAOYSA-N 2 3 333.564 3.780 20 0 EHADHP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422875960 1028006523 /nfs/dbraw/zinc/00/65/23/1028006523.db2.gz DTONOAMBXMGKJA-PXNSSMCTSA-N 2 3 349.950 3.659 20 0 EHADHP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000249032810 1028980225 /nfs/dbraw/zinc/98/02/25/1028980225.db2.gz RNKHURANOPTJFW-AMZGXZFVSA-N 2 3 341.543 3.633 20 0 EHADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000249032810 1028980228 /nfs/dbraw/zinc/98/02/28/1028980228.db2.gz RNKHURANOPTJFW-AMZGXZFVSA-N 2 3 341.543 3.633 20 0 EHADHP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556872534 1123162166 /nfs/dbraw/zinc/16/21/66/1123162166.db2.gz PHSRGXJKVFUJTN-BHIFYINESA-N 2 3 343.559 3.609 20 0 EHADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000423282105 1028323801 /nfs/dbraw/zinc/32/38/01/1028323801.db2.gz UWQQMMYADKQKOP-GKYDQMIMSA-N 2 3 329.532 3.537 20 0 EHADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000423282105 1028323817 /nfs/dbraw/zinc/32/38/17/1028323817.db2.gz UWQQMMYADKQKOP-GKYDQMIMSA-N 2 3 329.532 3.537 20 0 EHADHP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000129865909 1122852340 /nfs/dbraw/zinc/85/23/40/1122852340.db2.gz NDZGCLDTYURZFA-AVRDEDQJSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000129865909 1122852345 /nfs/dbraw/zinc/85/23/45/1122852345.db2.gz NDZGCLDTYURZFA-AVRDEDQJSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1C[NH+](C)CC[C@@H]1NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000129865909 1122852349 /nfs/dbraw/zinc/85/23/49/1122852349.db2.gz NDZGCLDTYURZFA-AVRDEDQJSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1C[NH+](C)CC[C@@H]1NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000129865909 1122852354 /nfs/dbraw/zinc/85/23/54/1122852354.db2.gz NDZGCLDTYURZFA-AVRDEDQJSA-N 2 3 343.559 3.881 20 0 EHADHP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000423231527 1028295980 /nfs/dbraw/zinc/29/59/80/1028295980.db2.gz LLTRVLUKULXKOT-RGCMJDONSA-N 2 3 341.543 3.537 20 0 EHADHP CC[NH+](CC)Cc1cc([C@H](C)NC2CC[NH+](CC)CC2)ccc1OC ZINC000775366385 1134671062 /nfs/dbraw/zinc/67/10/62/1134671062.db2.gz RNCMOUQRDRYZGM-KRWDZBQOSA-N 2 3 347.547 3.672 20 0 EHADHP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000775391310 1134709716 /nfs/dbraw/zinc/70/97/16/1134709716.db2.gz CWJSORPVROFDML-FUHIMQAGSA-N 2 3 347.547 3.670 20 0 EHADHP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000775391310 1134709721 /nfs/dbraw/zinc/70/97/21/1134709721.db2.gz CWJSORPVROFDML-FUHIMQAGSA-N 2 3 347.547 3.670 20 0 EHADHP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000423231525 1028296836 /nfs/dbraw/zinc/29/68/36/1028296836.db2.gz LLTRVLUKULXKOT-OAADDMNDSA-N 2 3 341.543 3.537 20 0 EHADHP CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048492 1038916564 /nfs/dbraw/zinc/91/65/64/1038916564.db2.gz UYUSEIAYYGPZEB-JRRMTSHWSA-N 2 3 343.559 3.892 20 0 EHADHP CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048492 1038916584 /nfs/dbraw/zinc/91/65/84/1038916584.db2.gz UYUSEIAYYGPZEB-JRRMTSHWSA-N 2 3 343.559 3.892 20 0 EHADHP C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089512974 1138200659 /nfs/dbraw/zinc/20/06/59/1138200659.db2.gz SKLVZAFAPPZDHO-KRWDZBQOSA-N 2 3 347.547 3.541 20 0 EHADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000423294378 1028354112 /nfs/dbraw/zinc/35/41/12/1028354112.db2.gz UITURBVJASZTBH-KEIZBESESA-N 2 3 349.522 3.992 20 0 EHADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115620 1132672515 /nfs/dbraw/zinc/67/25/15/1132672515.db2.gz LRILHAFXABFHBQ-CCQCEHTISA-N 2 3 345.506 3.523 20 0 EHADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115620 1132672519 /nfs/dbraw/zinc/67/25/19/1132672519.db2.gz LRILHAFXABFHBQ-CCQCEHTISA-N 2 3 345.506 3.523 20 0 EHADHP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000775391313 1134709576 /nfs/dbraw/zinc/70/95/76/1134709576.db2.gz CWJSORPVROFDML-UWVAXJGDSA-N 2 3 347.547 3.670 20 0 EHADHP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000775391313 1134709579 /nfs/dbraw/zinc/70/95/79/1134709579.db2.gz CWJSORPVROFDML-UWVAXJGDSA-N 2 3 347.547 3.670 20 0 EHADHP CC1CC[NH+](Cc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000298261771 1021803048 /nfs/dbraw/zinc/80/30/48/1021803048.db2.gz FSSSYYRDIOHFLN-UHFFFAOYSA-N 2 3 341.543 3.635 20 0 EHADHP [NH3+]CC1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000422876919 1028010776 /nfs/dbraw/zinc/01/07/76/1028010776.db2.gz GSKZVWODGUPARK-UHFFFAOYSA-N 2 3 349.950 3.659 20 0 EHADHP CCCCN1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000164441201 1042230514 /nfs/dbraw/zinc/23/05/14/1042230514.db2.gz IFEFMVGBHZXIOI-SFHVURJKSA-N 2 3 347.547 3.542 20 0 EHADHP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)cc2)C1 ZINC000623357225 1126931473 /nfs/dbraw/zinc/93/14/73/1126931473.db2.gz DOKRBECBGFCSFD-GHTZIAJQSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)cc2)C1 ZINC000623357225 1126931476 /nfs/dbraw/zinc/93/14/76/1126931476.db2.gz DOKRBECBGFCSFD-GHTZIAJQSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422788176 1027942339 /nfs/dbraw/zinc/94/23/39/1027942339.db2.gz VJDLGVBNPJSFNU-RXVVDRJESA-N 2 3 329.532 3.540 20 0 EHADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422788165 1027943158 /nfs/dbraw/zinc/94/31/58/1027943158.db2.gz VJDLGVBNPJSFNU-GHTZIAJQSA-N 2 3 329.532 3.540 20 0 EHADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000423294381 1028352433 /nfs/dbraw/zinc/35/24/33/1028352433.db2.gz UITURBVJASZTBH-QMZRJTEUSA-N 2 3 349.522 3.992 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000414816558 1029366582 /nfs/dbraw/zinc/36/65/82/1029366582.db2.gz PZSRDSDEHGFYQX-NPPFBWRTSA-N 2 3 337.511 3.849 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000414816558 1029366598 /nfs/dbraw/zinc/36/65/98/1029366598.db2.gz PZSRDSDEHGFYQX-NPPFBWRTSA-N 2 3 337.511 3.849 20 0 EHADHP CCCCN1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000164460278 1042252906 /nfs/dbraw/zinc/25/29/06/1042252906.db2.gz GOUKFJTXIAMCJU-GOSISDBHSA-N 2 3 347.547 3.542 20 0 EHADHP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@](C)(C[NH3+])C1 ZINC001167967089 1022174357 /nfs/dbraw/zinc/17/43/57/1022174357.db2.gz BBOYTNBJICHIFM-ISHSYCIMSA-N 2 3 333.564 3.525 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000480692833 1039895520 /nfs/dbraw/zinc/89/55/20/1039895520.db2.gz AOHZJELJHJBZIL-MOXWOTFGSA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000480692833 1039895535 /nfs/dbraw/zinc/89/55/35/1039895535.db2.gz AOHZJELJHJBZIL-MOXWOTFGSA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000480692833 1039895541 /nfs/dbraw/zinc/89/55/41/1039895541.db2.gz AOHZJELJHJBZIL-MOXWOTFGSA-N 2 3 343.559 3.594 20 0 EHADHP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000480692833 1039895550 /nfs/dbraw/zinc/89/55/50/1039895550.db2.gz AOHZJELJHJBZIL-MOXWOTFGSA-N 2 3 343.559 3.594 20 0 EHADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000423282106 1028324015 /nfs/dbraw/zinc/32/40/15/1028324015.db2.gz UWQQMMYADKQKOP-HAMDTZRPSA-N 2 3 329.532 3.537 20 0 EHADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000423282106 1028324027 /nfs/dbraw/zinc/32/40/27/1028324027.db2.gz UWQQMMYADKQKOP-HAMDTZRPSA-N 2 3 329.532 3.537 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000414808517 1029275750 /nfs/dbraw/zinc/27/57/50/1029275750.db2.gz KVNFTSSFOYPNPS-VQROGVPDSA-N 2 3 349.522 3.707 20 0 EHADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000414808517 1029275765 /nfs/dbraw/zinc/27/57/65/1029275765.db2.gz KVNFTSSFOYPNPS-VQROGVPDSA-N 2 3 349.522 3.707 20 0 EHADHP CN1CCC[C@]2(CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641379 1135295171 /nfs/dbraw/zinc/29/51/71/1135295171.db2.gz XIOOSCUMPTVPST-QFIPXVFZSA-N 2 3 341.543 3.590 20 0 EHADHP CN1CCC[C@]2(CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641379 1135295177 /nfs/dbraw/zinc/29/51/77/1135295177.db2.gz XIOOSCUMPTVPST-QFIPXVFZSA-N 2 3 341.543 3.590 20 0 EHADHP CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422787467 1027943662 /nfs/dbraw/zinc/94/36/62/1027943662.db2.gz MEESSJYHOCMDHX-INIZCTEOSA-N 2 3 340.515 3.541 20 0 EHADHP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000423231528 1028296674 /nfs/dbraw/zinc/29/66/74/1028296674.db2.gz LLTRVLUKULXKOT-VQSBLYBRSA-N 2 3 341.543 3.537 20 0 EHADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000480889367 1040119273 /nfs/dbraw/zinc/11/92/73/1040119273.db2.gz NDZGCLDTYURZFA-XMSQKQJNSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000480889367 1040119285 /nfs/dbraw/zinc/11/92/85/1040119285.db2.gz NDZGCLDTYURZFA-XMSQKQJNSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@@H]1C[NH+](C)CC[C@H]1NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480889367 1040119289 /nfs/dbraw/zinc/11/92/89/1040119289.db2.gz NDZGCLDTYURZFA-XMSQKQJNSA-N 2 3 343.559 3.881 20 0 EHADHP C[C@@H]1C[NH+](C)CC[C@H]1NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000480889367 1040119295 /nfs/dbraw/zinc/11/92/95/1040119295.db2.gz NDZGCLDTYURZFA-XMSQKQJNSA-N 2 3 343.559 3.881 20 0 EHADHP CCCCN1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000164460156 1042257455 /nfs/dbraw/zinc/25/74/55/1042257455.db2.gz GOUKFJTXIAMCJU-SFHVURJKSA-N 2 3 347.547 3.542 20 0 EHADHP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1CN1CCCCC1 ZINC000775381820 1134690471 /nfs/dbraw/zinc/69/04/71/1134690471.db2.gz NCMJGBQXBSSMRI-SFHVURJKSA-N 2 3 347.547 3.674 20 0 EHADHP COc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1CN1CCCCC1 ZINC000817976201 1136854439 /nfs/dbraw/zinc/85/44/39/1136854439.db2.gz HWQJUFAWAIWAKN-ROUUACIJSA-N 2 3 347.547 3.849 20 0 EHADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000423436524 1028444501 /nfs/dbraw/zinc/44/45/01/1028444501.db2.gz PSTZHDRLKALCQJ-PSWRPDDJSA-N 2 3 343.559 3.784 20 0 EHADHP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)cc2)C1 ZINC000623357227 1126931697 /nfs/dbraw/zinc/93/16/97/1126931697.db2.gz DOKRBECBGFCSFD-RXVVDRJESA-N 2 3 343.559 3.881 20 0 EHADHP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)cc2)C1 ZINC000623357227 1126931699 /nfs/dbraw/zinc/93/16/99/1126931699.db2.gz DOKRBECBGFCSFD-RXVVDRJESA-N 2 3 343.559 3.881 20 0 EHADHP CC[NH+](CC)C1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001173107390 1131969310 /nfs/dbraw/zinc/96/93/10/1131969310.db2.gz PZZAWIFDHBXCQQ-UHFFFAOYSA-N 2 3 335.580 3.884 20 0 EHADHP