smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000003834180 561683749 /nfs/dbraw/zinc/68/37/49/561683749.db2.gz YVHZFZYCWHQSCD-NDEPHWFRSA-N 2 0 547.725 3.490 1 0 KGAFRP [NH3+]CCc1c[nH]c2ccc(OCC(=O)Nc3ccc(N4CCN(C(=O)COc5ccc6[nH]cc(CC[NH3+])c6c5)CC4)cc3)cc12 ZINC000003919047 561685437 /nfs/dbraw/zinc/68/54/37/561685437.db2.gz LYNZLARMPRESRP-UHFFFAOYSA-N 2 0 609.731 3.397 1 0 KGAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000003926269 561686659 /nfs/dbraw/zinc/68/66/59/561686659.db2.gz GRAFEEBFOIOLGS-AREMUKBSSA-N 2 0 554.160 3.459 1 0 KGAFRP CN(C(=O)c1cccc(C[NH3+])c1)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000003951194 561690492 /nfs/dbraw/zinc/69/04/92/561690492.db2.gz DHZUTXNYEXPGFC-LBFZIJHGSA-N 2 0 650.824 3.151 1 0 KGAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCCC[NH3+])c4Cl)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000003979967 561692366 /nfs/dbraw/zinc/69/23/66/561692366.db2.gz SBSADBIGESTNBU-UHFFFAOYSA-N 2 0 700.270 3.401 1 0 KGAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCC[NH3+])c4Cl)cn3C)cn2C)cc1C(=O)NCCCC[NH+](C)C ZINC000003989605 561693332 /nfs/dbraw/zinc/69/33/32/561693332.db2.gz OPDMMXBECKREDC-UHFFFAOYSA-N 2 0 700.270 3.401 1 0 KGAFRP CNC(=O)c1cc(NC(=O)Nc2cccc(C3=[NH+]CCN3)c2)cc(NC(=O)Nc2cccc(C3=[NH+]CCN3)c2)c1 ZINC000004758607 561695297 /nfs/dbraw/zinc/69/52/97/561695297.db2.gz IAHGHWSYQDYENU-UHFFFAOYSA-N 2 0 539.600 3.034 1 0 KGAFRP Cc1cc(C)c(S(=O)(=O)N(CCC[NH3+])OCCCON(CCC[NH3+])S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000006010130 561701742 /nfs/dbraw/zinc/70/17/42/561701742.db2.gz BLBVKKKGBJPXSN-UHFFFAOYSA-N 2 0 584.805 3.170 1 0 KGAFRP COc1ccc2c(c1)[C@](O)(C[NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CC2 ZINC000013439709 561712356 /nfs/dbraw/zinc/71/23/56/561712356.db2.gz ZEEFXHMYCQNCCD-GDLZYMKVSA-N 2 0 523.699 3.262 1 0 KGAFRP COc1ccc2c(c1)[C@@](O)(C[NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CC2 ZINC000013439711 561712491 /nfs/dbraw/zinc/71/24/91/561712491.db2.gz ZEEFXHMYCQNCCD-LJAQVGFWSA-N 2 0 523.699 3.262 1 0 KGAFRP COc1ccc2c(c1)[C@](O)(C[NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc(Cl)c3C)CC1)CCC2 ZINC000013439718 561712464 /nfs/dbraw/zinc/71/24/64/561712464.db2.gz UGNXFZIICZYMBF-HHHXNRCGSA-N 2 0 536.138 3.461 1 0 KGAFRP COc1ccc2c(c1)[C@@](O)(C[NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc(Cl)c3C)CC1)CCC2 ZINC000013439720 561712478 /nfs/dbraw/zinc/71/24/78/561712478.db2.gz UGNXFZIICZYMBF-MHZLTWQESA-N 2 0 536.138 3.461 1 0 KGAFRP C[NH+](C)C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1F)c1cccc(C(N)=[NH2+])c1 ZINC000013442388 561712880 /nfs/dbraw/zinc/71/28/80/561712880.db2.gz OAOGFWYBMSRFSA-FCDQGJHFSA-N 2 0 513.570 3.305 1 0 KGAFRP CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3cc(-c4cccc(C(N)=[NH2+])c4)no3)S(C)(=O)=O)cc2)CC1 ZINC000013487645 561715256 /nfs/dbraw/zinc/71/52/56/561715256.db2.gz UXZHSOPGBUGSOZ-UHFFFAOYSA-N 2 0 510.620 3.432 1 0 KGAFRP CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3cc(C)n(-c4cccc(C(N)=[NH2+])c4)n3)S(C)(=O)=O)cc2)CC1 ZINC000013487646 561715226 /nfs/dbraw/zinc/71/52/26/561715226.db2.gz KMVBQTLUYWSPIQ-UHFFFAOYSA-N 2 0 523.663 3.271 1 0 KGAFRP CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3cc(C)nn3-c3cccc(C(N)=[NH2+])c3)S(C)(=O)=O)cc2)CC1 ZINC000013487647 561715298 /nfs/dbraw/zinc/71/52/98/561715298.db2.gz FIVLNKNLIFYQSP-UHFFFAOYSA-N 2 0 523.663 3.271 1 0 KGAFRP C[NH+]1CCOCC[N@@H+](C)CCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CC1)C(=O)NC2=O ZINC000013538519 561718023 /nfs/dbraw/zinc/71/80/23/561718023.db2.gz JHWNRWTWKSNTOD-UHFFFAOYSA-N 2 0 511.626 3.057 1 0 KGAFRP [NH3+]CCC[C@@H]([NH3+])[C@@H](O)CN[C@H](CCc1ccccc1)c1nc(C(=O)Nc2cnc3ccccc3c2)co1 ZINC000013587025 561720521 /nfs/dbraw/zinc/72/05/21/561720521.db2.gz JCTGRQQTEPWZBB-NOOIUNMQSA-N 2 0 502.619 3.166 1 0 KGAFRP [NH3+]CCC[C@@H]([NH3+])[C@H](O)CN[C@H](CCc1ccccc1)c1nc(C(=O)Nc2cnc3ccccc3c2)co1 ZINC000013587026 561720702 /nfs/dbraw/zinc/72/07/02/561720702.db2.gz JCTGRQQTEPWZBB-QIGHUWCUSA-N 2 0 502.619 3.166 1 0 KGAFRP [NH3+]CCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCCC1CCCCC1 ZINC000013761920 561728103 /nfs/dbraw/zinc/72/81/03/561728103.db2.gz NPBHBDBZCHCPLI-UIOOFZCWSA-N 2 0 539.806 3.024 1 0 KGAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(=O)CC[NH3+])CC2)c(C(C)C)c1 ZINC000014881108 561740098 /nfs/dbraw/zinc/74/00/98/561740098.db2.gz WATXEHGLYJKXOF-NDEPHWFRSA-N 2 0 612.841 3.250 1 0 in-vivo KGAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(C(N)=[NH2+])cc1)C(=O)c1nc2ccccc2s1 ZINC000014954544 561746960 /nfs/dbraw/zinc/74/69/60/561746960.db2.gz ZPJOWKKJECJXID-NXCFDTQHSA-N 2 0 582.730 3.312 1 0 KGAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(C(N)=[NH2+])c1)C(=O)c1nc2ccccc2s1 ZINC000014954549 561746951 /nfs/dbraw/zinc/74/69/51/561746951.db2.gz ITGDBUIAXWXUNV-NXCFDTQHSA-N 2 0 582.730 3.312 1 0 KGAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc(C(N)=[NH2+])c1)C(=O)c1nc2ccccc2s1 ZINC000014954554 561746994 /nfs/dbraw/zinc/74/69/94/561746994.db2.gz ITGDBUIAXWXUNV-CYXNTTPDSA-N 2 0 582.730 3.312 1 0 KGAFRP C[NH2+]CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)[NH2+]C)C(=O)c1nc2ccccc2s1 ZINC000014954567 561747179 /nfs/dbraw/zinc/74/71/79/561747179.db2.gz BBMSXOFCPWEDJA-VXNXHJTFSA-N 2 0 535.714 3.175 1 0 KGAFRP C[NH2+]CCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)[NH2+]C)C(=O)c1nc2ccccc2s1 ZINC000014954571 561747173 /nfs/dbraw/zinc/74/71/73/561747173.db2.gz BBMSXOFCPWEDJA-SMIHKQSGSA-N 2 0 535.714 3.175 1 0 KGAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)c1nc2ccccc2s1)C1CCC([NH3+])CC1 ZINC000014954754 561747303 /nfs/dbraw/zinc/74/73/03/561747303.db2.gz OLRAXPHQDQSAAM-ZYCXTIEXSA-N 2 0 547.725 3.303 1 0 KGAFRP COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCC[NH+]2CCC(OC)CC2)C(C)C)ccc1OC ZINC000014967578 561750073 /nfs/dbraw/zinc/75/00/73/561750073.db2.gz HJUPWBWKFVEKNP-DEKSYSNASA-N 2 0 565.796 3.257 1 0 KGAFRP CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@@H]2CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000026181150 561771739 /nfs/dbraw/zinc/77/17/39/561771739.db2.gz PCQGTBCWZBDGQE-LJAQVGFWSA-N 2 0 689.242 3.163 1 0 KGAFRP CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000026181158 561771692 /nfs/dbraw/zinc/77/16/92/561771692.db2.gz PCQGTBCWZBDGQE-GDLZYMKVSA-N 2 0 689.242 3.163 1 0 KGAFRP CO[C@@H]1O[C@H](CNC(=[NH2+])NC(N)=[NH2+])[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000026183129 561772185 /nfs/dbraw/zinc/77/21/85/561772185.db2.gz MLYUMHLWPBSNLD-JQPIIJRMSA-N 2 0 547.656 3.121 1 0 KGAFRP COc1ccc2[nH]cc(CC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc3c[nH]c4ccc(OC)cc34)c2c1 ZINC000026401913 561788438 /nfs/dbraw/zinc/78/84/38/561788438.db2.gz QXVCUIBICALTJA-UHFFFAOYSA-N 2 0 576.742 3.424 1 0 KGAFRP O=C(Cc1c[nH]c2ccccc12)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc1c[nH]c2ccccc12 ZINC000026402423 561788814 /nfs/dbraw/zinc/78/88/14/561788814.db2.gz IBNOCZWYEJCIDO-UHFFFAOYSA-N 2 0 516.690 3.406 1 0 KGAFRP CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000026575206 561799126 /nfs/dbraw/zinc/79/91/26/561799126.db2.gz ALHILOUNPBCEPF-ITHRCTNCSA-N 2 0 701.913 3.098 1 0 KGAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCC[NH3+])c4Cl)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000026576174 561799960 /nfs/dbraw/zinc/79/99/60/561799960.db2.gz FVZWZXFKXWYKQG-UHFFFAOYSA-N 2 0 686.243 3.011 1 0 KGAFRP O=C(CC[NH+]1CCCC[C@H]1CO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3CO)ccc1-2 ZINC000026642922 561806956 /nfs/dbraw/zinc/80/69/56/561806956.db2.gz BNVMSUQCMMPETM-PSWAGMNNSA-N 2 0 548.684 3.249 1 0 KGAFRP O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3CO)ccc1-2 ZINC000026642928 561806963 /nfs/dbraw/zinc/80/69/63/561806963.db2.gz BNVMSUQCMMPETM-DNQXCXABSA-N 2 0 548.684 3.249 1 0 KGAFRP CC[NH+](CC)C[C@H]1O[C@@H](C[NH+](CC)CC)CO[C@H]2c3nc4c5ccccc5n(C)c4nc3N(C)C(=O)N21 ZINC000026825387 561821824 /nfs/dbraw/zinc/82/18/24/561821824.db2.gz CGKYAZRUSFNWCE-COKJOHSESA-N 2 0 509.655 3.417 1 0 KGAFRP CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]([NH3+])C(C)C)ccc21 ZINC000026826294 561821937 /nfs/dbraw/zinc/82/19/37/561821937.db2.gz PQKMHPKUWZQGMT-PPGHQKADSA-N 3 0 593.817 3.471 1 0 KGAFRP C[NH+]1CCOCCOCC[N@@H+](C)CCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CC1)C(=O)NC2=O ZINC000026830576 561822904 /nfs/dbraw/zinc/82/29/04/561822904.db2.gz BEYBHILIDYTJTL-UHFFFAOYSA-N 2 0 555.679 3.074 1 0 KGAFRP Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCCCCCCCCNC(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C ZINC000026947086 561828580 /nfs/dbraw/zinc/82/85/80/561828580.db2.gz VNIKIAIFGZCFAJ-HNRBIFIRSA-N 2 0 526.722 3.344 1 0 KGAFRP [NH3+]CCN(CC[NH3+])CC[NH2+]Cc1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2C2CC[NH2+]CC2)cc1 ZINC000026971823 561830547 /nfs/dbraw/zinc/83/05/47/561830547.db2.gz ZYHFSYMFAQMVSZ-UHFFFAOYSA-N 4 0 518.537 3.167 1 0 KGAFRP C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6cccc(OCCCC(=O)NCCN(CC[NH3+])CC[NH3+])c6)nc5c4)nc3c2)CC1 ZINC000026978702 561831121 /nfs/dbraw/zinc/83/11/21/561831121.db2.gz WVBPBYBBEDVHAK-UHFFFAOYSA-N 3 0 638.821 3.020 1 0 KGAFRP NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)CCCCCCC(=O)N4CCN(C(=O)c5cc6cc(C(N)=[NH2+])ccc6o5)CC4)CC3)cc2c1 ZINC000026990225 561832360 /nfs/dbraw/zinc/83/23/60/561832360.db2.gz VYZARPYDAFKXDL-UHFFFAOYSA-N 2 0 682.782 3.357 1 0 KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027104227 561839521 /nfs/dbraw/zinc/83/95/21/561839521.db2.gz MZZBNDGZTPEYGP-BAKXNGGISA-N 2 0 647.820 3.246 1 0 KGAFRP Clc1c(Cl)c(CN2CCC[NH2+]CCNCCC[NH2+]CC2)c(Cl)c(CN2CCC[NH2+]CCNCCC[NH2+]CC2)c1Cl ZINC000027203067 561845491 /nfs/dbraw/zinc/84/54/91/561845491.db2.gz PTDLVNBLFNWNGP-UHFFFAOYSA-N 4 0 640.576 3.029 1 0 KGAFRP COc1ccccc1N1CC[NH+](CCCN2C(=O)CSc3c(OC[C@@H](O)C[NH2+]C(C)(C)C)cccc32)CC1 ZINC000027524064 561865382 /nfs/dbraw/zinc/86/53/82/561865382.db2.gz UORFXDKDNXZABJ-QFIPXVFZSA-N 2 0 542.746 3.474 1 0 KGAFRP COc1ccccc1N1CC[NH+](CCCN2C(=O)CSc3c(OC[C@H](O)C[NH2+]C(C)(C)C)cccc32)CC1 ZINC000027524065 561865403 /nfs/dbraw/zinc/86/54/03/561865403.db2.gz UORFXDKDNXZABJ-JOCHJYFZSA-N 2 0 542.746 3.474 1 0 KGAFRP CS(=O)(=O)c1ccc(CNCCC[NH2+]CCCCCCC[NH2+]CCCNCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000027642938 561875557 /nfs/dbraw/zinc/87/55/57/561875557.db2.gz XJCJLQLPALOHGS-UHFFFAOYSA-N 2 0 580.861 3.283 1 0 KGAFRP CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027850001 561885982 /nfs/dbraw/zinc/88/59/82/561885982.db2.gz DTUNHTQJTNZCHC-WMPKNSHKSA-N 2 0 558.720 3.300 1 0 KGAFRP CC(C)[NH2+]C[C@H](O)COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027850005 561885998 /nfs/dbraw/zinc/88/59/98/561885998.db2.gz DTUNHTQJTNZCHC-UIOOFZCWSA-N 2 0 558.720 3.300 1 0 KGAFRP CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027850011 561885914 /nfs/dbraw/zinc/88/59/14/561885914.db2.gz DTUNHTQJTNZCHC-CLJLJLNGSA-N 2 0 558.720 3.300 1 0 KGAFRP Cc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=[NH2+])n(CC3CC3)c2)ccc1C(=O)Nc1cc(C(=O)NCCC(N)=[NH2+])n(CC2CC2)c1 ZINC000027893623 561890064 /nfs/dbraw/zinc/89/00/64/561890064.db2.gz UFVCSRXFKYHRND-UHFFFAOYSA-N 2 0 642.765 3.034 1 0 KGAFRP CC(C)CCn1cc(NC(=O)c2ccnc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c3)c2)cc1C(=O)NCCC(N)=[NH2+] ZINC000027898859 561890690 /nfs/dbraw/zinc/89/06/90/561890690.db2.gz SQMGNUUWIVPFIY-UHFFFAOYSA-N 2 0 661.812 3.393 1 0 KGAFRP CC(C)CCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c3)nc2)cc1C(=O)NCCC(N)=[NH2+] ZINC000027899634 561890788 /nfs/dbraw/zinc/89/07/88/561890788.db2.gz HKAVQSNBCBIRNH-UHFFFAOYSA-N 2 0 661.812 3.393 1 0 KGAFRP CC(C)CCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCC[NH3+])n(CCC(C)C)c3)cc2)cc1C(=O)NCC[NH3+] ZINC000027900086 561890778 /nfs/dbraw/zinc/89/07/78/561890778.db2.gz KMSIWHYKRKUPIL-UHFFFAOYSA-N 2 0 606.772 3.263 1 0 KGAFRP O=C1c2ccccc2C(=O)N1CC[n+]1ccc(CCCc2cc[n+](CCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000027984037 561892056 /nfs/dbraw/zinc/89/20/56/561892056.db2.gz HLUKJECPCWDFDB-UHFFFAOYSA-N 2 0 546.627 3.029 1 0 KGAFRP C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[NH+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000027987667 561892522 /nfs/dbraw/zinc/89/25/22/561892522.db2.gz LWCSIJCNJWUOSS-LOCTXWJHSA-N 2 0 621.734 3.044 1 0 KGAFRP O=C1c2ccccc2C(=O)N1CCC[n+]1ccc(CCc2cc[n+](CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000027995804 561893714 /nfs/dbraw/zinc/89/37/14/561893714.db2.gz KTNJIBZFBNASRS-UHFFFAOYSA-N 2 0 560.654 3.419 1 0 KGAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nc2ccccc2s1)C1CCC([NH3+])CC1 ZINC000028113453 561903394 /nfs/dbraw/zinc/90/33/94/561903394.db2.gz OLRAXPHQDQSAAM-WEFMCYAASA-N 2 0 547.725 3.303 1 0 KGAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]([NH3+])Cc2ccccn2)CC1 ZINC000028134531 561906279 /nfs/dbraw/zinc/90/62/79/561906279.db2.gz DVKVPUUOBURZAC-DIMJWAADSA-N 2 0 618.226 3.084 1 0 KGAFRP C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]([NH3+])Cc2ccccn2)CC1 ZINC000028134547 561906302 /nfs/dbraw/zinc/90/63/02/561906302.db2.gz DVKVPUUOBURZAC-GLWIQRGKSA-N 2 0 618.226 3.084 1 0 KGAFRP CCOC(=O)[C@]1(C)C[N@H+](Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(N)=[NH2+])c1 ZINC000028223010 561907578 /nfs/dbraw/zinc/90/75/78/561907578.db2.gz SVASUNOMHIDAOX-RBJSKKJNSA-N 2 0 520.655 3.454 1 0 KGAFRP CC(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(N)=[NH2+])c1 ZINC000028223075 561907558 /nfs/dbraw/zinc/90/75/58/561907558.db2.gz NWNRXYIFWXPWLQ-LOSJGSFVSA-N 2 0 520.655 3.452 1 0 KGAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]([NH3+])Cc2cccnc2)CC1 ZINC000028349652 561915338 /nfs/dbraw/zinc/91/53/38/561915338.db2.gz BBEOTSQQEUXWMQ-DIMJWAADSA-N 2 0 618.226 3.084 1 0 KGAFRP C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]([NH3+])Cc2cccnc2)CC1 ZINC000028349670 561915400 /nfs/dbraw/zinc/91/54/00/561915400.db2.gz BBEOTSQQEUXWMQ-GLWIQRGKSA-N 2 0 618.226 3.084 1 0 KGAFRP CC(C)(C)c1[nH]c2c(cc(C(C)(C)C)cc2C(C)(C)C)c1C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000028377255 561919561 /nfs/dbraw/zinc/91/95/61/561919561.db2.gz UVDFAMGJNCXXNC-SFTDATJTSA-N 2 0 527.758 3.164 1 0 KGAFRP C[C@@H]([NH2+]CCN1CCCCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028385065 561920917 /nfs/dbraw/zinc/92/09/17/561920917.db2.gz LSTWRRQPSAORMM-UFHPHHKVSA-N 2 0 569.194 3.201 1 0 KGAFRP C[C@H]([NH2+]CCN1CCCCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028385071 561920959 /nfs/dbraw/zinc/92/09/59/561920959.db2.gz LSTWRRQPSAORMM-RBJSKKJNSA-N 2 0 569.194 3.201 1 0 KGAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)CCC[NH+](C)C)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028390870 561922197 /nfs/dbraw/zinc/92/21/97/561922197.db2.gz GGIYOZBIGUNQGO-JGCGQSQUSA-N 3 0 618.779 3.460 1 0 KGAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)CCC[NH+](C)C)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028390876 561922249 /nfs/dbraw/zinc/92/22/49/561922249.db2.gz GGIYOZBIGUNQGO-YTTGMZPUSA-N 3 0 618.779 3.460 1 0 KGAFRP [NH3+]CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028393164 561922583 /nfs/dbraw/zinc/92/25/83/561922583.db2.gz YEUMEJHOKABUMX-RUZDIDTESA-N 2 0 540.133 3.069 1 0 KGAFRP CC(=O)Nc1cccc(-c2ccc(C(=O)N[C@@H](C(=O)N3CC[NH2+]CC3)c3ccc(OCCC[NH+](C)C)cc3)o2)c1 ZINC000028396200 561923004 /nfs/dbraw/zinc/92/30/04/561923004.db2.gz HVNFKZCJTVYNTE-MUUNZHRXSA-N 2 0 547.656 3.138 1 0 KGAFRP CC(=O)Nc1cccc(-c2ccc(C(=O)N[C@H](C(=O)N3CC[NH2+]CC3)c3ccc(OCCC[NH+](C)C)cc3)o2)c1 ZINC000028396205 561922990 /nfs/dbraw/zinc/92/29/90/561922990.db2.gz HVNFKZCJTVYNTE-NDEPHWFRSA-N 2 0 547.656 3.138 1 0 KGAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4nncs4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028396543 561923131 /nfs/dbraw/zinc/92/31/31/561923131.db2.gz XYNMPDWEDRBAKN-HHHXNRCGSA-N 2 0 617.732 3.284 1 0 KGAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4nncs4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028396550 561923186 /nfs/dbraw/zinc/92/31/86/561923186.db2.gz XYNMPDWEDRBAKN-MHZLTWQESA-N 2 0 617.732 3.284 1 0 KGAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4cnccn4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028396951 561923328 /nfs/dbraw/zinc/92/33/28/561923328.db2.gz NUYDTCWXJYZXTB-SSEXGKCCSA-N 2 0 611.703 3.222 1 0 KGAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4cnccn4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028396957 561923284 /nfs/dbraw/zinc/92/32/84/561923284.db2.gz NUYDTCWXJYZXTB-PMERELPUSA-N 2 0 611.703 3.222 1 0 KGAFRP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)[C@@H]1CC[NH2+]1 ZINC000028397005 561923332 /nfs/dbraw/zinc/92/33/32/561923332.db2.gz ADKXRZJLKVSHGB-RRPNLBNLSA-N 2 0 566.171 3.472 1 0 KGAFRP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)[C@H]1CC[NH2+]1 ZINC000028397011 561923346 /nfs/dbraw/zinc/92/33/46/561923346.db2.gz ADKXRZJLKVSHGB-KAYWLYCHSA-N 2 0 566.171 3.472 1 0 KGAFRP C[C@@H]([NH2+]Cc1ccccc1N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028455468 561923612 /nfs/dbraw/zinc/92/36/12/561923612.db2.gz RWXSDGHVYSBGSF-SKCUWOTOSA-N 2 0 563.146 3.498 1 0 KGAFRP C[C@H]([NH2+]Cc1ccccc1N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028455471 561923627 /nfs/dbraw/zinc/92/36/27/561923627.db2.gz RWXSDGHVYSBGSF-RBISFHTESA-N 2 0 563.146 3.498 1 0 KGAFRP CC(C)C[NH2+]CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CC[NH3+])CC2)CCCCC1 ZINC000028463288 561925785 /nfs/dbraw/zinc/92/57/85/561925785.db2.gz HRUGHSBBBLMWIT-XMMPIXPASA-N 2 0 540.580 3.462 1 0 KGAFRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028468465 561926616 /nfs/dbraw/zinc/92/66/16/561926616.db2.gz JWHACHFNEQIFPH-FQEVSTJZSA-N 2 0 507.462 3.444 1 0 KGAFRP CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028473947 561927506 /nfs/dbraw/zinc/92/75/06/561927506.db2.gz FIJHMGZJAOFINH-BDYUSTAISA-N 2 0 552.716 3.210 1 0 KGAFRP CC(C)C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028476874 561928437 /nfs/dbraw/zinc/92/84/37/561928437.db2.gz HZWJLPCVDQVUIQ-AHWVRZQESA-N 2 0 538.689 3.281 1 0 KGAFRP C[C@@H](C[NH2+]CCCCCC[NH2+]CCCN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028520440 561928980 /nfs/dbraw/zinc/92/89/80/561928980.db2.gz MAYZXJLPQOHURJ-NRFANRHFSA-N 2 0 504.631 3.345 1 0 KGAFRP C[C@H](C[NH2+]CCCCCC[NH2+]CCCN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028520442 561928987 /nfs/dbraw/zinc/92/89/87/561928987.db2.gz MAYZXJLPQOHURJ-OAQYLSRUSA-N 2 0 504.631 3.345 1 0 KGAFRP Cc1ccc2c(c1)C(=O)N(CCC[NH2+]CCCCCC[NH2+]CCCN1C(=O)c3ccccc3C1=O)C2=O ZINC000028520687 561929066 /nfs/dbraw/zinc/92/90/66/561929066.db2.gz JLAHZSJOHUABBA-UHFFFAOYSA-N 2 0 504.631 3.407 1 0 KGAFRP O=C1N(C[C@@H](O)C[NH2+]CCN2CCOCC2)c2ccccc2C12CC[NH+](CC1CCCCCCC1)CC2 ZINC000028528398 561933050 /nfs/dbraw/zinc/93/30/50/561933050.db2.gz RNBJHJNXUGOLGB-SANMLTNESA-N 2 0 512.739 3.010 1 0 KGAFRP O=C1N(C[C@H](O)C[NH2+]CCN2CCOCC2)c2ccccc2C12CC[NH+](CC1CCCCCCC1)CC2 ZINC000028528399 561933045 /nfs/dbraw/zinc/93/30/45/561933045.db2.gz RNBJHJNXUGOLGB-AREMUKBSSA-N 2 0 512.739 3.010 1 0 KGAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)CCC(=O)NC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 ZINC000028528674 561933247 /nfs/dbraw/zinc/93/32/47/561933247.db2.gz LTYQNCFIYUVLGL-UHFFFAOYSA-N 2 0 737.682 3.130 1 0 KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000028530047 561934433 /nfs/dbraw/zinc/93/44/33/561934433.db2.gz SIUMEPYYYNRSSX-DHWXLLNHSA-N 2 0 625.814 3.340 1 0 in-vivo KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCCCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000028530050 561934407 /nfs/dbraw/zinc/93/44/07/561934407.db2.gz SIUMEPYYYNRSSX-AFEGWXKPSA-N 2 0 625.814 3.340 1 0 in-vivo KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028530053 561934401 /nfs/dbraw/zinc/93/44/01/561934401.db2.gz SIUMEPYYYNRSSX-LBFZIJHGSA-N 2 0 625.814 3.340 1 0 in-vivo KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCCCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028530055 561934487 /nfs/dbraw/zinc/93/44/87/561934487.db2.gz SIUMEPYYYNRSSX-GMTSZFNJSA-N 2 0 625.814 3.340 1 0 in-vivo KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCCCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000028530071 561934393 /nfs/dbraw/zinc/93/43/93/561934393.db2.gz VWEMLWZEBKVSHE-ZDCRTTOTSA-N 2 0 613.803 3.195 1 0 in-vivo KGAFRP Nc1[nH]c([C@@H]2c3[nH]c(N)[nH+]c3C[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)c[nH+]1 ZINC000028536709 561935070 /nfs/dbraw/zinc/93/50/70/561935070.db2.gz ZPPBXYMLLGMARQ-DOZZXWOPSA-N 2 0 699.206 3.021 1 0 KGAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCNCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000028641943 561943346 /nfs/dbraw/zinc/94/33/46/561943346.db2.gz SCTQSPKGLHYWMF-UHFFFAOYSA-N 2 0 577.685 3.434 1 0 KGAFRP NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)N1CCN(C(=O)CCCCCCCCCCC[NH3+])CC1 ZINC000028643626 561944121 /nfs/dbraw/zinc/94/41/21/561944121.db2.gz BEZKISOROOUCKN-NDEPHWFRSA-N 2 0 629.872 3.280 1 0 KGAFRP NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)CCCCCCCCCCC[NH3+])CC1 ZINC000028643936 561944246 /nfs/dbraw/zinc/94/42/46/561944246.db2.gz ORBQBTOVRNKIFK-VWLOTQADSA-N 2 0 647.809 3.146 1 0 KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H]([NH3+])C(=O)Nc1ccccc1 ZINC000028821092 561966178 /nfs/dbraw/zinc/96/61/78/561966178.db2.gz CPUXPXGRKXPITB-DTXPUJKBSA-N 2 0 571.722 3.085 1 0 KGAFRP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](CCO)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824146 561969151 /nfs/dbraw/zinc/96/91/51/561969151.db2.gz GNCBACBBVLPOJV-ARNLJNQMSA-N 2 0 503.062 3.491 1 0 KGAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)N(Cc2ccc(Cl)cc2Cl)C1 ZINC000028824979 561970222 /nfs/dbraw/zinc/97/02/22/561970222.db2.gz YBNTYYLISGNKJM-VJBMBRPKSA-N 2 0 617.409 3.309 1 0 KGAFRP C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccccc1)C2 ZINC000028863556 561972297 /nfs/dbraw/zinc/97/22/97/561972297.db2.gz PMLQGDADHNUPJW-UHFFFAOYSA-N 2 0 545.634 3.464 1 0 KGAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=[NH2+])c4ccccc4)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000028863658 561972452 /nfs/dbraw/zinc/97/24/52/561972452.db2.gz HUXFPSOSVRCCLN-UHFFFAOYSA-N 2 0 571.686 3.326 1 0 KGAFRP COc1cccc(C(=[NH2+])Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)n(C)c2)c1 ZINC000028863667 561972450 /nfs/dbraw/zinc/97/24/50/561972450.db2.gz ZLIACUQIZBOSRB-UHFFFAOYSA-N 2 0 601.712 3.334 1 0 KGAFRP CC(=[NH2+])Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C(C)C)c2)n(C)c1 ZINC000028864011 561972650 /nfs/dbraw/zinc/97/26/50/561972650.db2.gz QZOXOUMWCJMWLF-UHFFFAOYSA-N 2 0 537.669 3.341 1 0 KGAFRP COc1ccccc1C[N@@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864110 561972507 /nfs/dbraw/zinc/97/25/07/561972507.db2.gz XEKPCGPXQHLERF-UHFFFAOYSA-N 2 0 575.660 3.473 1 0 KGAFRP COc1ccc(C[N@@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864120 561972530 /nfs/dbraw/zinc/97/25/30/561972530.db2.gz SAZWCZURAAVQSN-UHFFFAOYSA-N 2 0 575.660 3.473 1 0 KGAFRP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n2C)C1 ZINC000028864155 561972798 /nfs/dbraw/zinc/97/27/98/561972798.db2.gz RFUTZXKXQWZZAG-UHFFFAOYSA-N 2 0 503.672 3.198 1 0 KGAFRP COc1cccc(C(=[NH2+])Nc2cc(C(=O)Nc3cc(C(=O)Nc4cn(C(=O)NCCC[NH+](C)C)cn4)n(C)c3)n(C)c2)c1 ZINC000028864377 561973161 /nfs/dbraw/zinc/97/31/61/561973161.db2.gz WLBRQIYIFXUWGY-UHFFFAOYSA-N 2 0 588.673 3.020 1 0 KGAFRP Nc1ncnc2c1ncn2CCOCP(=O)(OCCSC(=O)[C@@H]([NH3+])Cc1ccccc1)OCCSC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000028886323 561977601 /nfs/dbraw/zinc/97/76/01/561977601.db2.gz AIUSVQDWCYICRX-DQEYMECFSA-N 2 0 687.785 3.269 1 0 KGAFRP [NH3+]CCC[NH2+]Cc1ccn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12 ZINC000029040614 561990727 /nfs/dbraw/zinc/99/07/27/561990727.db2.gz MPFHXHMMZKGSSL-UHFFFAOYSA-N 2 0 509.517 3.129 1 0 KGAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2cc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)cc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)c2)C1 ZINC000029049078 561993817 /nfs/dbraw/zinc/99/38/17/561993817.db2.gz XYPNXAILJOTCFL-WAPCQROESA-N 4 0 580.737 3.271 1 0 KGAFRP CC(C)C[N@H+](C)CCn1c(=O)c2c(n(CCOc3ccccc3)c1=O)CC[NH+](CCCC(F)(F)F)C2 ZINC000029060441 561995670 /nfs/dbraw/zinc/99/56/70/561995670.db2.gz KOJKWNMESRDXJX-UHFFFAOYSA-N 2 0 510.601 3.377 1 0 KGAFRP C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCCC[NH3+])cc1 ZINC000029220131 562007066 /nfs/dbraw/zinc/00/70/66/562007066.db2.gz UQPDTGRTZCKUEQ-MHZHKKNFSA-N 2 0 573.823 3.029 1 0 KGAFRP C[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCCC[NH3+])cc1 ZINC000029220136 562007094 /nfs/dbraw/zinc/00/70/94/562007094.db2.gz UQPDTGRTZCKUEQ-GHPJVDHGSA-N 2 0 573.823 3.029 1 0 KGAFRP [NH3+]CCCCCCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000029223588 562007576 /nfs/dbraw/zinc/00/75/76/562007576.db2.gz AHNHNPXJMBDIPK-KYJUHHDHSA-N 2 0 587.850 3.248 1 0 KGAFRP CC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[NH+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000029252862 562011337 /nfs/dbraw/zinc/01/13/37/562011337.db2.gz JFNZUHIPEPGVHB-ZQUSMLRHSA-N 2 0 635.761 3.434 1 0 KGAFRP [NH3+]CC1CCN(C(=O)NCC2CCN(C(=O)OCc3ccc(COC(=O)N4CCC(CNC(=O)N5CCC(C[NH3+])CC5)CC4)cc3)CC2)CC1 ZINC000029392342 562017699 /nfs/dbraw/zinc/01/76/99/562017699.db2.gz YYHDIRDOEUMGPH-UHFFFAOYSA-N 2 0 698.910 3.144 1 0 KGAFRP COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)CCC[NH+](C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029412192 562021953 /nfs/dbraw/zinc/02/19/53/562021953.db2.gz AZZQTOYOOWVPOA-AQQYAXHUSA-N 2 0 526.630 3.430 1 0 KGAFRP COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)CCC[NH+](C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029412195 562021899 /nfs/dbraw/zinc/02/18/99/562021899.db2.gz AZZQTOYOOWVPOA-SYFBOLAPSA-N 2 0 526.630 3.430 1 0 KGAFRP [NH3+]CCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCCCC1 ZINC000029545341 562029616 /nfs/dbraw/zinc/02/96/16/562029616.db2.gz OHZGCWKGBIASJC-SVBPBHIXSA-N 2 0 553.833 3.414 1 0 KGAFRP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N4CCSCC4)C3)cc2)C1)N1CCSCC1 ZINC000029546387 562030012 /nfs/dbraw/zinc/03/00/12/562030012.db2.gz JKOZFGUZSCZKAN-CLJLJLNGSA-N 2 0 530.804 3.261 1 0 KGAFRP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCSCC4)C3)cc2)C1)N1CCSCC1 ZINC000029546390 562029981 /nfs/dbraw/zinc/02/99/81/562029981.db2.gz JKOZFGUZSCZKAN-WMPKNSHKSA-N 2 0 530.804 3.261 1 0 KGAFRP CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000029553362 562031602 /nfs/dbraw/zinc/03/16/02/562031602.db2.gz YFWMFOWYCAFANJ-NCSHRGRBSA-N 2 0 642.845 3.062 1 0 KGAFRP CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000029562087 562033477 /nfs/dbraw/zinc/03/34/77/562033477.db2.gz YFWMFOWYCAFANJ-VLGXXVAQSA-N 2 0 642.845 3.062 1 0 KGAFRP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000033504554 562037349 /nfs/dbraw/zinc/03/73/49/562037349.db2.gz JVEDYEAHCZWSNS-GDLZYMKVSA-N 2 0 540.774 3.324 1 0 KGAFRP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000033504555 562037394 /nfs/dbraw/zinc/03/73/94/562037394.db2.gz JVEDYEAHCZWSNS-LJAQVGFWSA-N 2 0 540.774 3.324 1 0 KGAFRP NC(=[NH2+])NCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000034689225 562039772 /nfs/dbraw/zinc/03/97/72/562039772.db2.gz JYJDBVCYQJCOFY-MHZLTWQESA-N 2 0 581.787 3.020 1 0 KGAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(N)=[NH2+])CC2)c(C(C)C)c1 ZINC000034689229 562039781 /nfs/dbraw/zinc/03/97/81/562039781.db2.gz KLEBFXRZYSRXSC-SANMLTNESA-N 2 0 583.803 3.268 1 0 KGAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC000034717884 562040012 /nfs/dbraw/zinc/04/00/12/562040012.db2.gz QACZHTZZUSYTGR-NDEPHWFRSA-N 2 0 547.725 3.252 1 0 KGAFRP O=C1COc2ccccc2N1C1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CC[NH2+]C3)CC1 ZINC000034804873 562043502 /nfs/dbraw/zinc/04/35/02/562043502.db2.gz MZGWUWFJBFMLKV-QFIPXVFZSA-N 2 0 555.601 3.466 1 0 KGAFRP O=C1COc2ccccc2N1C1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CC[NH2+]C3)CC1 ZINC000034804877 562043504 /nfs/dbraw/zinc/04/35/04/562043504.db2.gz MZGWUWFJBFMLKV-JOCHJYFZSA-N 2 0 555.601 3.466 1 0 KGAFRP Oc1ccc(CN2CCC[N@H+](Cc3ccc(O)c4ncccc34)CCNCCC[NH2+]CC2)c2cccnc12 ZINC000035012332 562044486 /nfs/dbraw/zinc/04/44/86/562044486.db2.gz YOPMGSIGGFDHPL-UHFFFAOYSA-N 2 0 514.674 3.471 1 0 KGAFRP O=C(NN1CC[NH2+]CC1)c1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)c1 ZINC000036127078 562047791 /nfs/dbraw/zinc/04/77/91/562047791.db2.gz GQAYUTWIMYAGRV-UHFFFAOYSA-N 2 0 542.619 3.413 1 0 KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccccc1 ZINC000036216263 562051328 /nfs/dbraw/zinc/05/13/28/562051328.db2.gz RTMKKGXDPBYWCA-DTXPUJKBSA-N 2 0 571.722 3.085 1 0 in-vivo KGAFRP CC[NH2+][C@H](CN[C@H](C[NH2+][C@@H](Cc1ccc(O)cc1)CN1CCC[C@H]1C[NH3+])Cc1ccc(O)cc1)Cc1ccc(O)cc1 ZINC000036216302 562051205 /nfs/dbraw/zinc/05/12/05/562051205.db2.gz HJDDIJWYQQKAJZ-ORYMTKCHSA-N 3 0 575.798 3.149 1 0 KGAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]([NH3+])Cc2ccccn2)CC1 ZINC000036269833 562053049 /nfs/dbraw/zinc/05/30/49/562053049.db2.gz DVKVPUUOBURZAC-CBTMMHPVSA-N 2 0 618.226 3.084 1 0 KGAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]([NH3+])Cc2cccnc2)CC1 ZINC000036269906 562053036 /nfs/dbraw/zinc/05/30/36/562053036.db2.gz BBEOTSQQEUXWMQ-CBTMMHPVSA-N 2 0 618.226 3.084 1 0 KGAFRP COc1ccccc1CC[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036284849 562053442 /nfs/dbraw/zinc/05/34/42/562053442.db2.gz NOPGXMCLYVZPNC-HHHXNRCGSA-N 2 0 613.590 3.454 1 0 KGAFRP NC(=[NH2+])NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000036285331 562054059 /nfs/dbraw/zinc/05/40/59/562054059.db2.gz AIBOPTDBFGOAQA-QNRWOPMTSA-N 2 0 584.765 3.459 1 0 KGAFRP NC(=[NH2+])NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000036285334 562054084 /nfs/dbraw/zinc/05/40/84/562054084.db2.gz AIBOPTDBFGOAQA-YXOGWZJSSA-N 2 0 584.765 3.459 1 0 KGAFRP NC(=[NH2+])NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000036285347 562054073 /nfs/dbraw/zinc/05/40/73/562054073.db2.gz AIBOPTDBFGOAQA-XHPANXIASA-N 2 0 584.765 3.459 1 0 KGAFRP NC(=[NH2+])NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000036285351 562054063 /nfs/dbraw/zinc/05/40/63/562054063.db2.gz AIBOPTDBFGOAQA-SYQUUIDJSA-N 2 0 584.765 3.459 1 0 KGAFRP NC(=[NH2+])NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000036285374 562054094 /nfs/dbraw/zinc/05/40/94/562054094.db2.gz AIBOPTDBFGOAQA-LTXXGDHTSA-N 2 0 584.765 3.459 1 0 KGAFRP NC(=[NH2+])NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000036285377 562054079 /nfs/dbraw/zinc/05/40/79/562054079.db2.gz AIBOPTDBFGOAQA-OMRVPHBLSA-N 2 0 584.765 3.459 1 0 KGAFRP NC(=[NH2+])NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000036285381 562054086 /nfs/dbraw/zinc/05/40/86/562054086.db2.gz AIBOPTDBFGOAQA-XFBWMNOSSA-N 2 0 584.765 3.459 1 0 KGAFRP NC(=[NH2+])NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000036285384 562054101 /nfs/dbraw/zinc/05/41/01/562054101.db2.gz ZTBIYCCYYNUCCA-RRGQHJHPSA-N 2 0 570.738 3.069 1 0 KGAFRP NC(=[NH2+])NCCC[NH+](CCCC[N@@H+](CCCNC(N)=[NH2+])CCCc1ccccc1)CCCc1ccccc1 ZINC000040565815 562077929 /nfs/dbraw/zinc/07/79/29/562077929.db2.gz SJRXDSGGFZHXPH-UHFFFAOYSA-N 4 0 522.786 3.383 1 0 KGAFRP O=C([C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCSCC4)C3)cc2)C1)N1CCSCC1 ZINC000040655807 562078857 /nfs/dbraw/zinc/07/88/57/562078857.db2.gz JKOZFGUZSCZKAN-UIOOFZCWSA-N 2 0 530.804 3.261 1 0 KGAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccccc3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000040873635 562081813 /nfs/dbraw/zinc/08/18/13/562081813.db2.gz XIBQTLNUGOHWIX-MHZLTWQESA-N 2 0 533.698 3.115 1 0 KGAFRP NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2cccc(-c3ccccc3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000040873637 562081754 /nfs/dbraw/zinc/08/17/54/562081754.db2.gz XIBQTLNUGOHWIX-HHHXNRCGSA-N 2 0 533.698 3.115 1 0 KGAFRP c1cc(C2=[NH+]CCN2)cc2nc(-c3sc(-c4nc5cc(C6=[NH+]CCN6)ccc5[nH]4)c4c3OCCO4)[nH]c12 ZINC000040896411 562083057 /nfs/dbraw/zinc/08/30/57/562083057.db2.gz RWYROJKHBYWCJP-UHFFFAOYSA-N 2 0 510.583 3.306 1 0 KGAFRP O=C(CC[NH2+]CCc1ccccc1)N(CC[NH2+]CCc1ccc(O)c2c1OCC(=O)N2)C1CCCCC1 ZINC000043196404 562646783 /nfs/dbraw/zinc/64/67/83/562646783.db2.gz DWLOHNBHLJCOJA-UHFFFAOYSA-N 2 0 508.663 3.239 1 0 KGAFRP NC(=[NH2+])NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(N)=[NH2+])ccc21 ZINC000044305163 562653334 /nfs/dbraw/zinc/65/33/34/562653334.db2.gz FTGLEOJXTVUCBP-HHHXNRCGSA-N 2 0 606.735 3.001 1 0 KGAFRP COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)cc1OC ZINC000044359420 562655465 /nfs/dbraw/zinc/65/54/65/562655465.db2.gz FDTIAXFNZOZOMK-MHZLTWQESA-N 2 0 593.750 3.132 1 0 KGAFRP COc1ccc(-c2cccc(S(=O)(=O)N[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)cc1OC ZINC000044359425 562655468 /nfs/dbraw/zinc/65/54/68/562655468.db2.gz FDTIAXFNZOZOMK-HHHXNRCGSA-N 2 0 593.750 3.132 1 0 KGAFRP COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)cc1 ZINC000044386302 562655852 /nfs/dbraw/zinc/65/58/52/562655852.db2.gz VXKCYOLSCMFIDJ-NDEPHWFRSA-N 2 0 563.724 3.123 1 0 KGAFRP COc1ccc(-c2cccc(S(=O)(=O)N[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)cc1 ZINC000044386305 562655830 /nfs/dbraw/zinc/65/58/30/562655830.db2.gz VXKCYOLSCMFIDJ-MUUNZHRXSA-N 2 0 563.724 3.123 1 0 KGAFRP COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C[NH3+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)cc1 ZINC000044388354 562656340 /nfs/dbraw/zinc/65/63/40/562656340.db2.gz VAZFEYPFKDVWTR-LJAQVGFWSA-N 2 0 550.725 3.298 1 0 KGAFRP COc1ccc(-c2cccc(S(=O)(=O)N[C@H](Cc3cccc(C[NH3+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)cc1 ZINC000044388357 562656358 /nfs/dbraw/zinc/65/63/58/562656358.db2.gz VAZFEYPFKDVWTR-GDLZYMKVSA-N 2 0 550.725 3.298 1 0 KGAFRP CC(C)c1ccc(CC(C[NH3+])(Cc2ccc(C(C)C)cc2)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000045245979 562659801 /nfs/dbraw/zinc/65/98/01/562659801.db2.gz VFUMVVKLNKGPHU-SANMLTNESA-N 2 0 522.738 3.287 1 0 KGAFRP CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000045496045 562662662 /nfs/dbraw/zinc/66/26/62/562662662.db2.gz ZLCVENSDUDRPGN-XZOQPEGZSA-N 2 0 520.505 3.374 1 0 KGAFRP CC(C)C[C@@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000045496047 562662650 /nfs/dbraw/zinc/66/26/50/562662650.db2.gz ZLCVENSDUDRPGN-DHIUTWEWSA-N 2 0 520.505 3.374 1 0 KGAFRP S=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=S)NCc1ccccc1)NCc1ccccc1 ZINC000049037215 562663638 /nfs/dbraw/zinc/66/36/38/562663638.db2.gz VTBCWJMIRWKRQW-UHFFFAOYSA-N 2 0 500.782 3.055 1 0 KGAFRP Cn1cc(NC(=O)c2ccc(C(=O)c3ccc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)cc3)cc2)cc1C(=O)NCCC[NH+](C)C ZINC000049614140 562666554 /nfs/dbraw/zinc/66/65/54/562666554.db2.gz VYKPAEDUIDEBHP-UHFFFAOYSA-N 2 0 682.826 3.462 1 0 KGAFRP Cn1cc(NC(=O)c2ccc(C(=O)c3ccc(C(=O)Nc4cn(C)c(C(=O)NCC[NH+]5CCCCC5)n4)cc3)cc2)nc1C(=O)NCC[NH+]1CCCCC1 ZINC000049616095 562666755 /nfs/dbraw/zinc/66/67/55/562666755.db2.gz ISUNBNMTQNKUOQ-UHFFFAOYSA-N 2 0 736.878 3.321 1 0 KGAFRP CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)[C@@H]2[NH2+]CCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C ZINC000049637763 562667574 /nfs/dbraw/zinc/66/75/74/562667574.db2.gz ZSXFSOAHDGQXOT-UKFDWBBOSA-N 2 0 623.832 3.334 1 0 KGAFRP [NH3+]CCc1cc2c(O)c(c1)Cc1cc(CC[NH3+])cc(c1O)Cc1cc(CC[NH3+])cc(c1OCCCO)Cc1cc(CC[NH3+])cc(c1O)C2 ZINC000049639492 562667778 /nfs/dbraw/zinc/66/77/78/562667778.db2.gz DMRAJPJHMQJKKT-UHFFFAOYSA-N 4 0 654.852 3.246 1 0 KGAFRP NC(=[NH2+])NCCCC[C@H](NC(=O)C(C[NH3+])(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)C(N)=O ZINC000049679835 562669001 /nfs/dbraw/zinc/66/90/01/562669001.db2.gz RYTBJPOQYRRKES-NDEPHWFRSA-N 2 0 538.696 3.347 1 0 KGAFRP NC(=[NH2+])NCCCC[C@H](NC(=O)C(C[NH3+])(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000049694457 562669378 /nfs/dbraw/zinc/66/93/78/562669378.db2.gz OVIOVDDQTBKHAJ-FQEVSTJZSA-N 2 0 574.570 3.078 1 0 KGAFRP CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1C[NH+](CC)CC ZINC000049694786 562669741 /nfs/dbraw/zinc/66/97/41/562669741.db2.gz UIAACWOVDAQNKS-IYYUCAQOSA-N 2 0 547.744 3.226 1 0 KGAFRP CC[NH2+]CC[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C(=O)[C@H]1NC(=O)[C@H](CC)[NH2+]C ZINC000049695307 562670419 /nfs/dbraw/zinc/67/04/19/562670419.db2.gz BJUZJFHZFGNPNP-IYYUCAQOSA-N 2 0 547.744 3.144 1 0 KGAFRP CN1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000049777570 562680244 /nfs/dbraw/zinc/68/02/44/562680244.db2.gz IEPCBHZDYJWTME-QHCPKHFHSA-N 2 0 644.830 3.073 1 0 KGAFRP CN1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000049777571 562680213 /nfs/dbraw/zinc/68/02/13/562680213.db2.gz IEPCBHZDYJWTME-HSZRJFAPSA-N 2 0 644.830 3.073 1 0 KGAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)[C@@H]([NH3+])CCCCNC(N)=[NH2+])CC4)c3Cl)c2n1 ZINC000049778219 562681058 /nfs/dbraw/zinc/68/10/58/562681058.db2.gz MEAFUDSYUNUCEX-VWLOTQADSA-N 2 0 735.739 3.446 1 0 KGAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(O)CC4)c3)nn2C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000049780784 562682252 /nfs/dbraw/zinc/68/22/52/562682252.db2.gz JNVCERQJFIFZRN-HSZRJFAPSA-N 2 0 645.814 3.282 1 0 KGAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(O)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049780785 562682238 /nfs/dbraw/zinc/68/22/38/562682238.db2.gz JNVCERQJFIFZRN-QHCPKHFHSA-N 2 0 645.814 3.282 1 0 KGAFRP NC(=O)C(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793768 562685148 /nfs/dbraw/zinc/68/51/48/562685148.db2.gz GQALSEVQDWBHFZ-QFIPXVFZSA-N 2 0 640.748 3.312 1 0 KGAFRP [NH3+]CCC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](CCC[NH3+])NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000049803203 562686070 /nfs/dbraw/zinc/68/60/70/562686070.db2.gz NGLBXYOOCUFUDM-KBPBESRZSA-N 2 0 630.578 3.016 1 0 KGAFRP COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C)cc2)N1c1nc(CCC[NH3+])nc(CCC[NH3+])n1 ZINC000049808141 562686584 /nfs/dbraw/zinc/68/65/84/562686584.db2.gz FORNHFHOFANIMF-KCWPFWIISA-N 2 0 513.646 3.138 1 0 KGAFRP Nc1[nH]c([C@H]2c3[nH]c(N)[nH+]c3C[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)c[nH+]1 ZINC000049808272 562686608 /nfs/dbraw/zinc/68/66/08/562686608.db2.gz ZPPBXYMLLGMARQ-FUXNSRLFSA-N 2 0 699.206 3.021 1 0 KGAFRP CC(C)C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@H](C[C@@H]1C=NC=N1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816804 581097112 /nfs/dbraw/zinc/09/71/12/581097112.db2.gz FCZORALTFUWLST-XCYRMKOHSA-N 2 0 583.818 3.423 1 0 KGAFRP CC(C)C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@H](C[C@@H]1C=NC=N1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816805 581097068 /nfs/dbraw/zinc/09/70/68/581097068.db2.gz FCZORALTFUWLST-ISYGQMQOSA-N 2 0 583.818 3.423 1 0 KGAFRP CC(C)C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1C=NC=N1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816806 581097025 /nfs/dbraw/zinc/09/70/25/581097025.db2.gz FCZORALTFUWLST-FNBYOJNGSA-N 2 0 583.818 3.423 1 0 KGAFRP CC(C)C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1C=NC=N1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816807 581097117 /nfs/dbraw/zinc/09/71/17/581097117.db2.gz FCZORALTFUWLST-BTDHYQSWSA-N 2 0 583.818 3.423 1 0 KGAFRP CC[NH+](CC)CCNc1nc(NCC[NH+](CC)CC)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1 ZINC000049832404 562687202 /nfs/dbraw/zinc/68/72/02/562687202.db2.gz QCNWUDCOQGWYBQ-UHFFFAOYSA-N 2 0 523.715 3.360 1 0 KGAFRP CCOC(=O)c1cc(C2=[NH+]CCN2)ccc1OCCCCCOc1ccc(C2=[NH+]CCN2)cc1C(=O)OCC ZINC000049881475 562690871 /nfs/dbraw/zinc/69/08/71/562690871.db2.gz WKYMXPKZHFWMBH-UHFFFAOYSA-N 2 0 536.629 3.368 1 0 KGAFRP C[NH+](C)[C@H]1[C@@H](O)[C@@H](O)[C@H](O[C@]23C=CC=C2c2c4ccc(c2Cl)[C@@H](O)COC(=O)C[C@H]([NH3+])c2cc(O)c(c(Cl)c2)O[C@H]43)OC1(C)C ZINC000058482438 562698016 /nfs/dbraw/zinc/69/80/16/562698016.db2.gz SGICAIWTPRUYBA-XHXKVFPOSA-N 2 0 663.551 3.308 1 0 KGAFRP CC[NH+](CC)CCCOc1cc2nc(N3CCC[N@H+](C)CC3)nc(NC3CC[NH+](C)CC3)c2cc1OC ZINC000058538325 562698808 /nfs/dbraw/zinc/69/88/08/562698808.db2.gz LUGLXWUDSGZVAC-UHFFFAOYSA-N 3 0 513.731 3.397 1 0 KGAFRP CCC[N@H+](C)CCCOc1cc2nc(N3CCC[NH+](C)CC3)nc(NC3CC[NH+](C)CC3)c2cc1OC ZINC000058538486 562698858 /nfs/dbraw/zinc/69/88/58/562698858.db2.gz ZSTJJGDXIMMQRV-UHFFFAOYSA-N 3 0 513.731 3.397 1 0 KGAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C)CC1 ZINC000058540998 562698945 /nfs/dbraw/zinc/69/89/45/562698945.db2.gz ILCODGITBOXMED-UHFFFAOYSA-N 3 0 511.715 3.151 1 0 KGAFRP C[NH+](C)CCCn1c2ccccc2n(C2CCN(C(=O)C3CC[NH+](Cc4ccncc4)CC3)CC2)c1=O ZINC000058583965 562700205 /nfs/dbraw/zinc/70/02/05/562700205.db2.gz APPCPYUGJBDNJO-UHFFFAOYSA-N 2 0 504.679 3.225 1 0 KGAFRP COc1cc2c(cc1OCCCCC[NH+](C)C)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C)CC1 ZINC000058590966 562700396 /nfs/dbraw/zinc/70/03/96/562700396.db2.gz LZCANGZWXXVBTI-UHFFFAOYSA-N 3 0 513.731 3.397 1 0 KGAFRP C[NH+]1CCN(Cc2ccc([C@H](c3nnnn3Cc3ccccc3)N3CCC[N@@H+](C4CCC4)CC3)cc2)CC1 ZINC000058591906 562700533 /nfs/dbraw/zinc/70/05/33/562700533.db2.gz KOIKIOIHIGLQAU-GDLZYMKVSA-N 2 0 514.722 3.118 1 0 KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000058617670 562701042 /nfs/dbraw/zinc/70/10/42/562701042.db2.gz MZZBNDGZTPEYGP-SNZVYYTPSA-N 2 0 647.820 3.246 1 0 KGAFRP C[NH+]1CCN(Cc2ccc([C@@H](c3nnnn3Cc3ccccc3)N3CCC[N@@H+](C4CCC4)CC3)cc2)CC1 ZINC000062225049 562704372 /nfs/dbraw/zinc/70/43/72/562704372.db2.gz KOIKIOIHIGLQAU-LJAQVGFWSA-N 2 0 514.722 3.118 1 0 KGAFRP COCC(=O)N[C@H]1Cc2ccc(OC)c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCC[NH+]2CCN(CCC[NH3+])CC2)C1=O ZINC000066111970 562711923 /nfs/dbraw/zinc/71/19/23/562711923.db2.gz QXSMBSQHYONEJF-UMSFTDKQSA-N 2 0 643.829 3.451 1 0 KGAFRP COc1ccc(/C=C/C(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC ZINC000066251489 562714493 /nfs/dbraw/zinc/71/44/93/562714493.db2.gz CXEGBCYBSKQWAA-JOBJLJCHSA-N 2 0 582.742 3.420 1 0 KGAFRP O=C(Cc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)c1)NN1CC[NH2+]CC1 ZINC000071280673 562716568 /nfs/dbraw/zinc/71/65/68/562716568.db2.gz NAXQWDIPGKYYLT-UHFFFAOYSA-N 2 0 556.646 3.342 1 0 KGAFRP OC(Cn1c[n+](Cc2ccc(F)cc2F)cn1)(Cn1c[n+](Cc2ccc(F)cc2F)cn1)c1ccc(F)cc1F ZINC000072104685 562720575 /nfs/dbraw/zinc/72/05/75/562720575.db2.gz YDMXCBJIMAARLE-UHFFFAOYSA-N 2 0 560.502 3.174 1 0 KGAFRP Cc1cccc(C[n+]2cnn(CC(O)(Cn3c[n+](Cc4cccc(C)c4)cn3)c3ccc(F)cc3F)c2)c1 ZINC000072105182 562720686 /nfs/dbraw/zinc/72/06/86/562720686.db2.gz YJUXDXODMOGTJC-UHFFFAOYSA-N 2 0 516.596 3.234 1 0 KGAFRP COc1cc2c(OC)cc1Cn1cc[n+](c1)Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cn1cc[n+](c1)C2 ZINC000072106477 562721051 /nfs/dbraw/zinc/72/10/51/562721051.db2.gz FVOXGRJJBZGWTL-UHFFFAOYSA-N 2 0 542.661 3.221 1 0 KGAFRP CNC(=O)c1ccc(Oc2ccc(C[NH+]3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CC[NH+](C)C)cc2)cc1 ZINC000072113324 562722343 /nfs/dbraw/zinc/72/23/43/562722343.db2.gz YHQOIYFBOITSKD-LOYHVIPDSA-N 2 0 605.780 3.003 1 0 KGAFRP Cn1cccc1C1=C(c2cccs2)C(=O)N(CC[NH2+]CCC[NH2+]CCN2C(=O)C(c3cccs3)=C(c3cccn3C)C2=O)C1=O ZINC000072113637 562722441 /nfs/dbraw/zinc/72/24/41/562722441.db2.gz YFXUWIOUTIVLLO-UHFFFAOYSA-N 2 0 642.807 3.315 1 0 KGAFRP [NH3+]CCCCNC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCc2ccc(Cl)cc2)C[C@H]1C(=O)NCCc1ccc2ccccc2c1 ZINC000072118336 562723500 /nfs/dbraw/zinc/72/35/00/562723500.db2.gz DUUAMWVBNQNOLQ-NLDZOOGBSA-N 2 0 578.157 3.042 1 0 KGAFRP [NH3+]CCCCNC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccc3ccccc3c2)C[C@H]1C(=O)NCCc1ccc2ccccc2c1 ZINC000072118462 562723557 /nfs/dbraw/zinc/72/35/57/562723557.db2.gz JFWUYPARTMHXCH-IWWXRALLSA-N 2 0 579.745 3.151 1 0 KGAFRP C[NH2+]CCCCNC(=O)COCC(=O)NCC(=O)Nc1cccc([C@@H](C[NH+]2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000072126796 562725416 /nfs/dbraw/zinc/72/54/16/562725416.db2.gz KXTNJAHDPCMRPT-MUUNZHRXSA-N 2 0 663.647 3.019 1 0 KGAFRP COCC(=O)N[C@H]1Cc2cc(c3c(c2)COCO3)Cc2ccc(cc2)Oc2cccc(c2)CN(CCC[NH+]2CCN(CCC[NH3+])CC2)C1=O ZINC000072126806 562725456 /nfs/dbraw/zinc/72/54/56/562725456.db2.gz FJGOVJXGOUSTAU-DHUJRADRSA-N 2 0 671.839 3.309 1 0 KGAFRP CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H]([NH3+])CCCC[NH3+])C(C)C)O4)c(=O)nc3o2)cc1 ZINC000072127010 562725529 /nfs/dbraw/zinc/72/55/29/562725529.db2.gz RKMKEBPMBUKCRS-SKUAPYOTSA-N 2 0 722.884 3.169 1 0 KGAFRP [NH3+]CCCCNC(=O)[C@@]1(O)[C@H](c2c[nH]c3cc(Br)ccc32)[C@@](O)(Cc2c[nH]c3cc(Br)ccc23)C(=O)N1CCCC[NH3+] ZINC000072132799 562726893 /nfs/dbraw/zinc/72/68/93/562726893.db2.gz PIHIJDUVKHNVTR-POLDFPFKSA-N 2 0 704.464 3.356 1 0 KGAFRP COc1cc2c(cc1OCCOCC[NH+](C)C)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072134259 562727305 /nfs/dbraw/zinc/72/73/05/562727305.db2.gz RWORAABGMPGMRS-UHFFFAOYSA-N 3 0 543.757 3.022 1 0 KGAFRP COc1cc2c(cc1OCCC[NH+](C)C)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072135978 562727703 /nfs/dbraw/zinc/72/77/03/562727703.db2.gz QGNXJAYDMNWLSW-UHFFFAOYSA-N 3 0 513.731 3.396 1 0 KGAFRP C[NH+](C)CCCN1C(=O)c2cc(NC(=O)CC[NH+]3CCCC3)cc3cc(NC(=O)CC[NH+]4CCCC4)cc(c32)C1=O ZINC000073160276 562734057 /nfs/dbraw/zinc/73/40/57/562734057.db2.gz ZZRFFZKPOVXWFM-UHFFFAOYSA-N 3 0 562.715 3.236 1 0 KGAFRP O=C(CC[NH+]1CCCC1)Nc1cc2cc(NC(=O)CC[NH+]3CCCC3)cc3c2c(c1)C(=O)N(CCCN1CCOCC1)C3=O ZINC000073195910 562734974 /nfs/dbraw/zinc/73/49/74/562734974.db2.gz WBRYTRSQGUPHDJ-UHFFFAOYSA-N 2 0 604.752 3.007 1 0 KGAFRP O=C(CC[NH+]1CCCC1)Nc1cc2cc(NC(=O)CC[NH+]3CCCC3)cc3c2c(c1)C(=O)N(CC[NH+]1CCCC1)C3=O ZINC000073195981 562734972 /nfs/dbraw/zinc/73/49/72/562734972.db2.gz JMCXXROBXYGHOY-UHFFFAOYSA-N 3 0 574.726 3.380 1 0 KGAFRP C[NH+](C)CCN1CCN(c2nc(NCCc3ccc(F)cc3)[nH+]c(NCCc3ccc(F)cc3)n2)CC1 ZINC000073197190 562735287 /nfs/dbraw/zinc/73/52/87/562735287.db2.gz BMAVRMFAHFSTPE-UHFFFAOYSA-N 2 0 510.637 3.143 1 0 KGAFRP CN1CC[NH+](CCC(=O)N[C@@H]2CC3([NH+]4CCN(C)CC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073199437 562736015 /nfs/dbraw/zinc/73/60/15/562736015.db2.gz ZYQJYYOVJZQCKZ-WYJFYEORSA-N 2 0 529.773 3.476 1 0 KGAFRP COC(=O)c1ccc(CNc2nc(NCCC[NH+](C)C)[nH+]c(NCc3ccc(C(=O)OC)cc3)n2)cc1 ZINC000073200088 562736110 /nfs/dbraw/zinc/73/61/10/562736110.db2.gz ZBYDVNOZLVQBEI-UHFFFAOYSA-N 2 0 507.595 3.033 1 0 KGAFRP [NH3+]CCc1cc2c(O)c(c1)Cc1cc(CC[NH3+])cc(c1O)Cc1cc(CC[NH3+])cc(c1O)Cc1cc(CC[NH3+])cc(c1O)C2 ZINC000073278523 562737361 /nfs/dbraw/zinc/73/73/61/562737361.db2.gz DUIGHCULHVIZRW-UHFFFAOYSA-N 4 0 596.772 3.190 1 0 KGAFRP O=C(CC[NH+]1CCCC1)Nc1cc2cc(NC(=O)CC[NH+]3CCCC3)cc3c2c(c1)C(=O)N(CCCN1CCN(C(=O)CC[NH+]2CCCC2)CC1)C3=O ZINC000082138064 562739159 /nfs/dbraw/zinc/73/91/59/562739159.db2.gz OTLXGORCKBUXEG-UHFFFAOYSA-N 3 0 728.939 3.305 1 0 KGAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC5)CCOCC4)c3Cl)c2n1 ZINC000082175664 562741698 /nfs/dbraw/zinc/74/16/98/562741698.db2.gz FVIJCXRMFXUYDT-SANMLTNESA-N 2 0 721.708 3.302 1 0 KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000084611192 562744376 /nfs/dbraw/zinc/74/43/76/562744376.db2.gz VWEMLWZEBKVSHE-XFCANUNOSA-N 2 0 613.803 3.195 1 0 in-vivo KGAFRP Cc1c(N2CC[NH+](C)CC2)nc2ccccc2c1C(=O)NCCOCCOCCNC(=O)c1c(C)c(N2CC[NH+](C)CC2)nc2ccccc21 ZINC000084616501 562744590 /nfs/dbraw/zinc/74/45/90/562744590.db2.gz DGHBTCQWEPIPBD-UHFFFAOYSA-N 2 0 682.870 3.096 1 0 KGAFRP COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC000084618804 562745132 /nfs/dbraw/zinc/74/51/32/562745132.db2.gz FRMKVVVCMRCVKG-TUSQITKMSA-N 3 0 571.811 3.308 1 0 KGAFRP COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC000084618806 562745124 /nfs/dbraw/zinc/74/51/24/562745124.db2.gz FRMKVVVCMRCVKG-ZODMCCGTSA-N 3 0 571.811 3.308 1 0 KGAFRP O=C(C[C@H]([NH2+]C1CCC(O)CC1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084619514 562745250 /nfs/dbraw/zinc/74/52/50/562745250.db2.gz AYLBMSKJSZBJAD-HMNPYRHBSA-N 2 0 594.801 3.154 1 0 KGAFRP COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CCCC[NH3+])c1 ZINC000084619961 562745392 /nfs/dbraw/zinc/74/53/92/562745392.db2.gz FRMKVVVCMRCVKG-FTBPSBKWSA-N 3 0 571.811 3.308 1 0 KGAFRP COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CCCC[NH3+])c1 ZINC000084619963 562745370 /nfs/dbraw/zinc/74/53/70/562745370.db2.gz FRMKVVVCMRCVKG-NQHRYMMQSA-N 3 0 571.811 3.308 1 0 KGAFRP Cc1c(Cl)ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC(=O)N(CCCC[NH3+])CC2CC[NH2+]CC2)c1Cl ZINC000084690241 562749499 /nfs/dbraw/zinc/74/94/99/562749499.db2.gz TZNAYZDIQFFJSU-UHFFFAOYSA-N 2 0 626.651 3.219 1 0 KGAFRP O=C(NCCc1ccccc1)[C@H]1C[N@H+](CCOc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084705934 562749949 /nfs/dbraw/zinc/74/99/49/562749949.db2.gz SZCWHOKUMBLXDB-WEAWZCMZSA-N 2 0 540.708 3.363 1 0 KGAFRP O=C(NCCc1ccccc1)[C@H]1C[N@H+](CCOc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084705936 562749917 /nfs/dbraw/zinc/74/99/17/562749917.db2.gz SZCWHOKUMBLXDB-LHGWWSMPSA-N 2 0 540.708 3.363 1 0 KGAFRP O=C(NCCc1cccc(Cl)c1)[C@H]1C[N@H+](CC2CC2)C[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084729418 562751554 /nfs/dbraw/zinc/75/15/54/562751554.db2.gz PTGMBGNWULMODB-GMQQYTKMSA-N 2 0 509.094 3.347 1 0 KGAFRP O=C(NCCc1cccc(Cl)c1)[C@H]1C[N@H+](CC2CC2)C[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084729422 562751564 /nfs/dbraw/zinc/75/15/64/562751564.db2.gz PTGMBGNWULMODB-KWXIBIRDSA-N 2 0 509.094 3.347 1 0 KGAFRP O=C(NCCc1ccc(Cl)cc1)[C@H]1C[N@H+](CC2CC2)C[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084729429 562751570 /nfs/dbraw/zinc/75/15/70/562751570.db2.gz UQJBGEOAAMLJGW-GMQQYTKMSA-N 2 0 509.094 3.347 1 0 KGAFRP O=C(NCCc1ccc(Cl)cc1)[C@H]1C[N@H+](CC2CC2)C[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084729433 562751579 /nfs/dbraw/zinc/75/15/79/562751579.db2.gz UQJBGEOAAMLJGW-KWXIBIRDSA-N 2 0 509.094 3.347 1 0 KGAFRP COc1c(Br)cc(/C=C/C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])cc1Br ZINC000084759226 562752854 /nfs/dbraw/zinc/75/28/54/562752854.db2.gz KVQQKKIHZWAGNU-VOTSOKGWSA-N 3 0 520.310 3.048 1 0 KGAFRP C[C@@H]1[NH2+][C@H](C[C@H](O)[C@@H]2CCCCCC[C@@](O)(CC(=O)[O-])C[NH2+][C@]3(C)CC[NH2+][C@@H](Cc4cccc(c4)C2)C3)CC[C@H]1O ZINC000085488016 560075849 /nfs/dbraw/zinc/07/58/49/560075849.db2.gz WBQPKRFDEDBGJU-JTXDRILYSA-N 2 0 573.819 3.301 1 0 biogenic,in-vitro KGAFRP CC[NH2+]COc1cc(OCC[NH2+]C)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OCCCO)c1)CO4 ZINC000085567477 565142898 /nfs/dbraw/zinc/14/28/98/565142898.db2.gz KBDHDERVMQMJPS-LLUCYPRPSA-N 2 0 637.730 3.098 1 0 biogenic,in-vitro KGAFRP CC[NH2+]COc1cc(OCC[NH2+]C)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567492 291780974 /nfs/dbraw/zinc/78/09/74/291780974.db2.gz KHRZYMIELPGZNK-PFJBIBAASA-N 2 0 593.677 3.345 1 0 biogenic,in-vitro KGAFRP CC[NH2+][C@H](CCc1cc[nH+]c(N)c1)COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCO)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O ZINC000085596608 565155858 /nfs/dbraw/zinc/15/58/58/565155858.db2.gz LJTQIPYVUUCVQY-VIMGGMBISA-N 2 0 641.762 3.224 1 0 biogenic,in-vitro KGAFRP CN[C@@H](C[NH2+]C)C(=O)O[C@H](C[C@@H](CCC1([C@H](C)O)CCCC1)OC(C)=O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1 ZINC000085596776 560063269 /nfs/dbraw/zinc/06/32/69/560063269.db2.gz QGVNVEWMEMXLHQ-VCHQRZIOSA-N 2 0 591.790 3.076 1 0 biogenic,in-vitro KGAFRP CCCCC[C@H](C[C@@H](OC(=O)[C@H](C[NH2+]C)NC)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1)OC(C)=O ZINC000085596787 291780327 /nfs/dbraw/zinc/78/03/27/291780327.db2.gz XWEUPBWNZMMKNL-NRRYGQPISA-N 2 0 547.737 3.251 1 0 biogenic,in-vitro KGAFRP CNC(=[NH2+])NC[C@H]1C[C@H]2C[C@H](C=C[C@@]2(O)C[C@@H](CCc2ccc(O)c(OC3CC[NH2+]CC3)c2)OC(C)=O)[C@@H]1C ZINC000085628144 291783862 /nfs/dbraw/zinc/78/38/62/291783862.db2.gz QAXDKIOQDDPTJC-VNXTYARQSA-N 2 0 542.721 3.101 1 0 biogenic,in-vitro KGAFRP CNC(=[NH2+])N[C@H]1CCC[C@H]2CC[C@@H]([C@H](O)C[C@@H](CCc3ccc(O)c(OC4CC[NH2+]CC4)c3)OC(C)=O)C[C@@H]21 ZINC000085628168 560068765 /nfs/dbraw/zinc/06/87/65/560068765.db2.gz YHEXWWWEENOIHG-JOGJTKGBSA-N 2 0 544.737 3.467 1 0 biogenic,in-vitro KGAFRP CNC(=[NH2+])N[C@H]1CCCC[C@@H]1CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)OC(C)=O ZINC000085628240 291784214 /nfs/dbraw/zinc/78/42/14/291784214.db2.gz GPERPCRUBOYRQQ-OUMDNPPYSA-N 2 0 518.699 3.221 1 0 biogenic,in-vitro KGAFRP COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2C)[C@H]5O4 ZINC000089688830 562753602 /nfs/dbraw/zinc/75/36/02/562753602.db2.gz HUWWGEQBJZGBDA-ZQUSMLRHSA-N 2 0 635.761 3.347 1 0 KGAFRP CC[C@]12C=CC[NH+]3CC[C@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32 ZINC000094303244 562753704 /nfs/dbraw/zinc/75/37/04/562753704.db2.gz NDMPLJNOPCLANR-SCAZUBMFSA-N 2 0 768.952 3.420 1 0 world KGAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32 ZINC000094303245 562753696 /nfs/dbraw/zinc/75/36/96/562753696.db2.gz NDMPLJNOPCLANR-XQLDGQACSA-N 2 0 768.952 3.420 1 0 world KGAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccc4ccccc4n3)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2ccc3ccccc3n2)[C@@H]1OCc1ccc2ccccc2n1 ZINC000095536729 562754082 /nfs/dbraw/zinc/75/40/82/562754082.db2.gz JAZGRUVSWZNZAC-MSJSRACFSA-N 4 0 745.881 3.203 1 0 KGAFRP CC(C)C[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@]1(O[C@H]2CO[C@@H]4N2[C@H]1O[C@]41CC[C@@]2(O)[C@H]4Cc6ccc(O)c7c6[C@@]2(CC[N@H+]4CC(C)C)[C@H]1O7)[C@@H]3O5 ZINC000095539501 562755074 /nfs/dbraw/zinc/75/50/74/562755074.db2.gz VGHHPZPNDPOCML-KAEFNMNLSA-N 2 0 769.936 3.267 1 0 KGAFRP Nc1[nH]c([C@@H](c2[nH]c(N)[nH+]c2C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[C@H](O)CNC(=O)c2cc(Br)c(Br)[nH]2)c[nH+]1 ZINC000095539723 562755233 /nfs/dbraw/zinc/75/52/33/562755233.db2.gz HFPWHJMMBLRRMI-RIVGAVQESA-N 2 0 794.101 3.369 1 0 KGAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(N)=O)C[C@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000095544573 562757675 /nfs/dbraw/zinc/75/76/75/562757675.db2.gz HIFRVKHDTNOGBG-JLYZPWSBSA-N 2 0 795.978 3.303 1 0 KGAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000095548072 562759101 /nfs/dbraw/zinc/75/91/01/562759101.db2.gz UXNDGPPTVKDIOD-QAXCHELISA-N 2 0 820.836 3.393 1 0 KGAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H]([NH3+])CCCCNC(N)=[NH2+])CC5)CCOCC4)c3Cl)c2n1 ZINC000095550213 562759991 /nfs/dbraw/zinc/75/99/91/562759991.db2.gz KUTHJKKCCLLPIU-MHZLTWQESA-N 2 0 777.776 3.216 1 0 KGAFRP NC(=[NH2+])Nc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCc2ccccc2)cc1 ZINC000095552064 562760510 /nfs/dbraw/zinc/76/05/10/562760510.db2.gz ZRHVHKPXXFHRDJ-AFEGWXKPSA-N 3 0 662.839 3.186 1 0 KGAFRP O=C1c2cccc3cccc(c32)C(=O)N1CC[NH2+]CCCNCCC[NH2+]CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000095554210 562761165 /nfs/dbraw/zinc/76/11/65/562761165.db2.gz ILCAUUDUYRCCKB-UHFFFAOYSA-N 2 0 577.685 3.434 1 0 KGAFRP CCC1(O)CC2C[N@H+](C1)CCc1c3ccccc3[nH]c1C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C34CC[NH+]3CC=CC(CC)(C34)C(O)C1(O)C(=O)OC)C2 ZINC000095557978 562762287 /nfs/dbraw/zinc/76/22/87/562762287.db2.gz NDMPLJNOPCLANR-PTYYJNCCSA-N 2 0 768.952 3.420 1 0 KGAFRP CC(C)(C)c1ccc(CC(C[NH3+])(Cc2ccc(C(C)(C)C)cc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000095573047 562769598 /nfs/dbraw/zinc/76/95/98/562769598.db2.gz ZQUPNRXIOBBEBB-VWLOTQADSA-N 2 0 536.765 3.245 1 0 KGAFRP NC(=[NH2+])NCCCNC(=O)C(CNC(N)=[NH2+])(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000095574823 562770099 /nfs/dbraw/zinc/77/00/99/562770099.db2.gz AMANZMFRJCPCNV-UHFFFAOYSA-N 2 0 509.658 3.237 1 0 KGAFRP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCC(F)(F)c2ccccc21)C1CCCCC1 ZINC000095594876 562776560 /nfs/dbraw/zinc/77/65/60/562776560.db2.gz VHNBFMMDAIXLPT-KXTXBCJOSA-N 2 0 559.702 3.078 1 0 KGAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH2+]Cc3nccs3)CCCCC2)CC1 ZINC000095607647 562782980 /nfs/dbraw/zinc/78/29/80/562782980.db2.gz YCTKHPOLBBLXSW-HSZRJFAPSA-N 2 0 581.614 3.463 1 0 KGAFRP NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)OCC34CCC(COC(=O)N5CCN(C(=O)NCc6ccc(NC(N)=[NH2+])cc6)CC5)(CC3)CC4)CC2)cc1 ZINC000095614530 562786693 /nfs/dbraw/zinc/78/66/93/562786693.db2.gz XLCNADMNCIGXSS-UHFFFAOYSA-N 2 0 774.928 3.266 1 0 KGAFRP Cc1nc(-c2ccccn2)nc(NC[C@H]([NH2+]CCCN2CC[NH+](CCO)CC2)c2ccccc2)c1Cl ZINC000096271240 562793795 /nfs/dbraw/zinc/79/37/95/562793795.db2.gz LBYCNMYKZOCLLW-DEOSSOPVSA-N 2 0 510.086 3.243 1 0 KGAFRP C[NH+](C)[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)C[NH+]2CCC3(Cc4cc(Cl)ccc4O3)CC2)C1 ZINC000096271614 562793806 /nfs/dbraw/zinc/79/38/06/562793806.db2.gz QRISUYWARARGGC-GMAHTHKFSA-N 2 0 530.065 3.031 1 0 KGAFRP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)C[NH+]2CCC3(Cc4cc(Cl)ccc4O3)CC2)C1 ZINC000096271620 562793830 /nfs/dbraw/zinc/79/38/30/562793830.db2.gz QRISUYWARARGGC-GGAORHGYSA-N 2 0 530.065 3.031 1 0 KGAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCS(=O)(=O)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000096285779 562795896 /nfs/dbraw/zinc/79/58/96/562795896.db2.gz YSUPEPWHOOPUJM-UHFFFAOYSA-N 2 0 560.765 3.023 1 0 KGAFRP NC(=[NH2+])c1cccc(COc2c(I)cc(C(N)=[NH2+])cc2I)c1 ZINC000096910492 562800001 /nfs/dbraw/zinc/80/00/01/562800001.db2.gz ZAAHTBXZLPVJBH-UHFFFAOYSA-N 2 0 520.112 3.043 1 0 KGAFRP NC(=[NH2+])c1ccc(COc2c(I)cc(C(N)=[NH2+])cc2I)cc1 ZINC000096910513 562800008 /nfs/dbraw/zinc/80/00/08/562800008.db2.gz DLVSVPCWVPNNFE-UHFFFAOYSA-N 2 0 520.112 3.043 1 0 KGAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCCCCc3ccc4ccccc4c3)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCCCCc2ccc3ccccc3c2)[C@@H]1O ZINC000096932611 562803450 /nfs/dbraw/zinc/80/34/50/562803450.db2.gz QKYDVHKVFANLIK-HFUCYITCSA-N 4 0 686.894 3.285 1 0 KGAFRP [NH3+]CCCOc1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(OCCC[NH3+])c(OCCC[NH3+])c5)nn4)c3)nn2)cc1OCCC[NH3+] ZINC000096933241 562803552 /nfs/dbraw/zinc/80/35/52/562803552.db2.gz AMWNBFDHOJHTMK-UHFFFAOYSA-N 4 0 656.792 3.092 1 0 KGAFRP COc1ccc(OC)c(CCC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)CCc2cc(OC)ccc2OC)c1 ZINC000096935038 562803996 /nfs/dbraw/zinc/80/39/96/562803996.db2.gz HEEYMMGFYFUZCC-UHFFFAOYSA-N 2 0 586.774 3.258 1 0 KGAFRP COc1ccc(CCC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)CCc2ccc(OC)c(OC)c2)cc1OC ZINC000096935039 562803991 /nfs/dbraw/zinc/80/39/91/562803991.db2.gz OZERGKJKBWAFBP-UHFFFAOYSA-N 2 0 586.774 3.258 1 0 KGAFRP O=C(Cc1ccccc1O)NCCC[NH2+]CCCCCCCC[NH2+]CCCNC(=O)Cc1ccccc1O ZINC000096935044 562804004 /nfs/dbraw/zinc/80/40/04/562804004.db2.gz RTGWJIPPNNUSIO-UHFFFAOYSA-N 2 0 526.722 3.415 1 0 KGAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H]1O)[C@H]32 ZINC000097943133 562805081 /nfs/dbraw/zinc/80/50/81/562805081.db2.gz NDMPLJNOPCLANR-WGGVWGHTSA-N 2 0 768.952 3.420 1 0 KGAFRP CO[C@@H]1[C@H](C[NH2+]CCCCCCCCCC[NH2+]C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC)O[C@H]2OC(C)(C)O[C@@H]12 ZINC000098084772 562805732 /nfs/dbraw/zinc/80/57/32/562805732.db2.gz ZDGLTVNXOZSGQN-BZSGROKUSA-N 2 0 544.730 3.069 1 0 KGAFRP C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCCN1CCCC1 ZINC000101090781 562809094 /nfs/dbraw/zinc/80/90/94/562809094.db2.gz GDUQGKWTKQKBSP-HXUWFJFHSA-N 2 0 584.092 3.438 1 0 KGAFRP CC(C)n1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCN2CCN(S(C)(=O)=O)CC2)c2ccccc21 ZINC000101514824 562811206 /nfs/dbraw/zinc/81/12/06/562811206.db2.gz ZHTVCYAAJGXYQW-QEIWAGNOSA-N 2 0 558.793 3.480 1 0 KGAFRP O=C1[O+]=NN(c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CCCCC4)cc3)cc2)C1CN1CCCCC1 ZINC000103191100 562815665 /nfs/dbraw/zinc/81/56/65/562815665.db2.gz WAILCOGHJHWJPE-UHFFFAOYSA-P 2 0 532.645 3.190 1 0 KGAFRP NC(=[NH2+])c1ccc(Oc2ccc(C(=O)N3CCC(CC[NH3+])CC3)c(Oc3ccc(C(N)=[NH2+])cc3)n2)cc1 ZINC000103230518 562818178 /nfs/dbraw/zinc/81/81/78/562818178.db2.gz WXQAJTWRKISTAX-UHFFFAOYSA-N 3 0 501.591 3.435 1 0 KGAFRP NC(=[NH2+])c1ccc(Oc2cc(C(=O)N3CCC(CC[NH3+])CC3)cc(Oc3ccc(C(N)=[NH2+])cc3)n2)cc1 ZINC000103230521 562818213 /nfs/dbraw/zinc/81/82/13/562818213.db2.gz UVYYQDUXIOWSPK-UHFFFAOYSA-N 3 0 501.591 3.435 1 0 KGAFRP C[NH+]1CCN(CCCNc2ncc3cc(C(=O)Nc4cc(C(=O)N[C@@H](CC[NH3+])c5ccccc5)ccc4Cl)c(=O)[nH]c3n2)CC1 ZINC000103250251 562820204 /nfs/dbraw/zinc/82/02/04/562820204.db2.gz QJRRYVISMPFJOU-SANMLTNESA-N 2 0 632.169 3.093 1 0 KGAFRP C[NH+]1CCN(CCCNc2ncc3cc(C(=O)Nc4cc(C(=O)N[C@H](CC[NH3+])c5ccccc5)ccc4Cl)c(=O)[nH]c3n2)CC1 ZINC000103250253 562820215 /nfs/dbraw/zinc/82/02/15/562820215.db2.gz QJRRYVISMPFJOU-AREMUKBSSA-N 2 0 632.169 3.093 1 0 KGAFRP O[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@H](O)CN7)cc6[nH]5)cc4)[nH]c3c2)=[NH+]C1 ZINC000103251431 562820338 /nfs/dbraw/zinc/82/03/38/562820338.db2.gz GDKCKLFJHYSROU-UHFFFAOYSA-N 2 0 504.594 3.405 1 0 KGAFRP CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(CO[C@H]4CCC[C@H]([NH2+]CCC(C)C)C4)C[C@]32[C@H](C)CC1 ZINC000103524470 565192727 /nfs/dbraw/zinc/19/27/27/565192727.db2.gz KMXAKYGZXXZAIZ-FRRUPNOGSA-N 2 0 615.860 3.070 1 0 biogenic,in-vitro KGAFRP CCCC[C@H]([NH3+])CCC[C@H](CC[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])[C@@H]1CC[NH+]=C(N)N1)Cc1ccc(=O)[nH]c1 ZINC000103563161 291780559 /nfs/dbraw/zinc/78/05/59/291780559.db2.gz FHRUQYAMOKFLRO-OETRPOOJSA-N 2 0 537.709 3.070 1 0 biogenic,in-vitro KGAFRP [NH3+]CCOCCOc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 ZINC000114565720 562828332 /nfs/dbraw/zinc/82/83/32/562828332.db2.gz ZVWLZBKDMMRTNF-MHZLTWQESA-N 2 0 518.614 3.197 1 0 KGAFRP O=c1ccc2c([C@@H](O)C[NH2+]CCc3ccc(Nc4ccc(OCCN5CC[NH2+]CC5)cc4)cc3)ccc(O)c2[nH]1 ZINC000114575264 562828359 /nfs/dbraw/zinc/82/83/59/562828359.db2.gz RWBDYOUHRBKWMC-LJAQVGFWSA-N 2 0 543.668 3.127 1 0 KGAFRP NC(=[NH2+])c1ccc(Oc2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(C(=O)NC3CC[NH+](CCC[NH3+])CC3)c2)cc1 ZINC000114707014 562828418 /nfs/dbraw/zinc/82/84/18/562828418.db2.gz AHRCUDMRUDTUIA-UHFFFAOYSA-N 4 0 529.645 3.382 1 0 KGAFRP NC(=[NH2+])c1ccc(Oc2cc(NC(=O)C3CCN(CC[NH3+])CC3)cc(Oc3ccc(C(N)=[NH2+])cc3)c2)cc1 ZINC000114707834 562828430 /nfs/dbraw/zinc/82/84/30/562828430.db2.gz SCNRGUIPJWPPAH-UHFFFAOYSA-N 3 0 515.618 3.449 1 0 KGAFRP NC(=[NH2+])c1ccc(Oc2cc(NC(=O)C3CC[NH+](CCO)CC3)cc(Oc3ccc(C(N)=[NH2+])cc3)c2)cc1 ZINC000114707995 562828459 /nfs/dbraw/zinc/82/84/59/562828459.db2.gz MQLLHJDIYYYSJS-UHFFFAOYSA-N 3 0 516.602 3.482 1 0 KGAFRP NC(=[NH2+])c1ccc(Oc2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(C(=O)NC3CC[NH+](CCO)CC3)c2)cc1 ZINC000114708177 562828457 /nfs/dbraw/zinc/82/84/57/562828457.db2.gz CRWDTMOWPZDRKN-UHFFFAOYSA-N 3 0 516.602 3.026 1 0 KGAFRP NC(=[NH2+])c1ccc(Oc2cc(NC(=O)C3CCN(C(=O)CC[NH3+])CC3)cc(Oc3ccc(C(N)=[NH2+])cc3)c2)cc1 ZINC000114710072 562828454 /nfs/dbraw/zinc/82/84/54/562828454.db2.gz CWDMENTVJYQECG-UHFFFAOYSA-N 3 0 543.628 3.365 1 0 KGAFRP CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[NH2+]5)cn3)nc2n1C1CC[NH+](C(C)(C)C)CC1 ZINC000118588559 562830393 /nfs/dbraw/zinc/83/03/93/562830393.db2.gz UARIJLGMVQNUGV-SZPZYZBQSA-N 2 0 559.719 3.284 1 0 KGAFRP COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(=O)N[C@H](C[NH3+])c3ccccc3)nn1C)CCC2 ZINC000145915392 562837759 /nfs/dbraw/zinc/83/77/59/562837759.db2.gz NAGOZOOVQLAGAY-HHHXNRCGSA-N 2 0 623.762 3.372 1 0 KGAFRP Cc1sc2nc(N3CC[C@H](C(N)=O)C3)nc(N3CCC(C[NH2+]CC[C@H]4CCCC[N@H+]4C)CC3)c2c1C ZINC000146412110 562838510 /nfs/dbraw/zinc/83/85/10/562838510.db2.gz ZKMYMZXODGHJQG-FCHUYYIVSA-N 2 0 513.756 3.300 1 0 KGAFRP Cc1sc2nc(N3CC[C@H](C(N)=O)C3)nc(N3CCC(C[NH2+]CC[C@@H]4CCCC[N@H+]4C)CC3)c2c1C ZINC000146412296 562838538 /nfs/dbraw/zinc/83/85/38/562838538.db2.gz ZKMYMZXODGHJQG-VXKWHMMOSA-N 2 0 513.756 3.300 1 0 KGAFRP [NH3+]CCCCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149101984 562842095 /nfs/dbraw/zinc/84/20/95/562842095.db2.gz PPLZYPDLRUCVGQ-UHFFFAOYSA-N 2 0 550.635 3.417 1 0 KGAFRP [NH3+]CCCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149114755 562842141 /nfs/dbraw/zinc/84/21/41/562842141.db2.gz UZTUCRSUEBSPQL-UHFFFAOYSA-N 2 0 536.608 3.027 1 0 KGAFRP [NH3+]C1(COc2ccc3ncc(F)c(CCC45CCC([NH2+]Cc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1 ZINC000149155375 562842265 /nfs/dbraw/zinc/84/22/65/562842265.db2.gz BLMUTZYJPAPONW-UHFFFAOYSA-N 2 0 548.619 3.169 1 0 KGAFRP [NH3+][C@@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149157244 562842340 /nfs/dbraw/zinc/84/23/40/562842340.db2.gz UQVNDLXCWMYEIP-RCJXISAISA-N 2 0 548.619 3.025 1 0 KGAFRP [NH3+][C@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149157439 562842320 /nfs/dbraw/zinc/84/23/20/562842320.db2.gz UQVNDLXCWMYEIP-PVOBNBDXSA-N 2 0 548.619 3.025 1 0 KGAFRP [NH3+][C@@H]1C[C@H]1COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149157640 562842342 /nfs/dbraw/zinc/84/23/42/562842342.db2.gz UQVNDLXCWMYEIP-JFPDNWDRSA-N 2 0 548.619 3.025 1 0 KGAFRP [NH3+][C@H]1C[C@H]1COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149157819 562842313 /nfs/dbraw/zinc/84/23/13/562842313.db2.gz UQVNDLXCWMYEIP-UKHVMPPLSA-N 2 0 548.619 3.025 1 0 KGAFRP [NH3+]CC1(COc2ccc3ncc(F)c(CCC45CCC([NH2+]Cc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1 ZINC000149257768 562842559 /nfs/dbraw/zinc/84/25/59/562842559.db2.gz DZQFDSBQRPUTFZ-UHFFFAOYSA-N 2 0 562.646 3.417 1 0 KGAFRP CCCCC[C@@H]1CC[C@@H]([NH2+]C)C[C@H]1OC[C@@]1(O)C[C@@]23C(=C1C(=O)[O-])C[C@@H](CC[C@H]2C)[C@@]31CN(C(=[NH2+])NC)C=C[C@@H]1C[NH2+]CCO ZINC000150342088 565200084 /nfs/dbraw/zinc/20/00/84/565200084.db2.gz OEOWYGBRKIQEJV-XMPFHZAGSA-N 2 0 629.887 3.460 1 0 biogenic,in-vitro KGAFRP CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@](O)(CO[C@H]4CCC[C@H]([NH2+]C)C4)C[C@]32[C@H](C)C[C@@H]1Cc1ccccc1 ZINC000150342105 565200081 /nfs/dbraw/zinc/20/00/81/565200081.db2.gz OCALXGLDHLUGLK-YGDCUJFUSA-N 2 0 649.877 3.123 1 0 biogenic,in-vitro KGAFRP C[NH2+][C@H]1CCC[C@H](OC[C@]2(O)C[C@@]34C(=C2C(=O)[O-])C[C@@H](CC[C@H]3C)[C@@]42CN(C(=[NH2+])NC3CCCCC3)C=C[C@@H]2C[NH2+]CCO)C1 ZINC000150342110 565200097 /nfs/dbraw/zinc/20/00/97/565200097.db2.gz DPBGCOPKHFFXMN-PRPDLCLQSA-N 2 0 627.871 3.357 1 0 biogenic,in-vitro KGAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(C(=O)NCCCOCCOCCOCNC(=O)C2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 ZINC000150363799 562843328 /nfs/dbraw/zinc/84/33/28/562843328.db2.gz XZGPLQDAIFWZGA-UHFFFAOYSA-N 2 0 869.841 3.243 1 0 KGAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(N)=O)C[C@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169295525 562852366 /nfs/dbraw/zinc/85/23/66/562852366.db2.gz HIFRVKHDTNOGBG-WXNWDKHDSA-N 2 0 795.978 3.303 1 0 KGAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccccc3F)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000169323388 562857027 /nfs/dbraw/zinc/85/70/27/562857027.db2.gz VLQAUEKAYKACOP-MHZLTWQESA-N 2 0 551.688 3.254 1 0 KGAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3cccc(F)c3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000169323393 562857010 /nfs/dbraw/zinc/85/70/10/562857010.db2.gz WIAPVBUUYPRJFG-MHZLTWQESA-N 2 0 551.688 3.254 1 0 KGAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000169323400 562857017 /nfs/dbraw/zinc/85/70/17/562857017.db2.gz CEPPTJTVNUYLJU-MHZLTWQESA-N 2 0 551.688 3.254 1 0 KGAFRP COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)c(OC)c1 ZINC000169323428 562857068 /nfs/dbraw/zinc/85/70/68/562857068.db2.gz YLFDUDAILBTVGN-NDEPHWFRSA-N 2 0 593.750 3.132 1 0 KGAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)N(C)C)[C@@H]1O)[C@@H]32 ZINC000169328034 562858223 /nfs/dbraw/zinc/85/82/23/562858223.db2.gz RKMLQQBFLFIQNJ-ICJOCJBCSA-N 2 0 781.995 3.335 1 0 KGAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@H]6C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32 ZINC000169328203 562858276 /nfs/dbraw/zinc/85/82/76/562858276.db2.gz OIPZSMQDESLOSJ-WRPSRKEESA-N 2 0 695.905 3.405 1 0 KGAFRP CCNC(=O)[C@]1(O)[C@@H]2N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C[NH+](C[C@](O)(CC)C5)CCc5c6ccccc6[nH]c54)cc3[C@@]23CC[N@@H+]2CC=C[C@](CC)([C@H]23)[C@H]1O ZINC000169329910 562858573 /nfs/dbraw/zinc/85/85/73/562858573.db2.gz MHWCOJUHAYXQRY-ICJOCJBCSA-N 2 0 781.995 3.383 1 0 KGAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169331567 562859010 /nfs/dbraw/zinc/85/90/10/562859010.db2.gz JIYHUOUEEUSFKG-ICJOCJBCSA-N 2 0 795.978 3.303 1 0 KGAFRP CCCS(=O)(=O)c1ccc(NC(=N)NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc2ccc(S(=O)(=O)CCC)cc2)cc1 ZINC000169337232 562859992 /nfs/dbraw/zinc/85/99/92/562859992.db2.gz YEIJTUGHLVCVOR-UHFFFAOYSA-N 2 0 648.860 3.236 1 0 KGAFRP [NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2s1)NC(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000169349243 562862428 /nfs/dbraw/zinc/86/24/28/562862428.db2.gz FDBAKQVBPQKPKG-SZAHLOSFSA-N 2 0 765.941 3.220 1 0 KGAFRP CN1CC[NH+](CCC(=O)N[C@@H]2CC3([NH+]4CCN(C)CC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356596 562863847 /nfs/dbraw/zinc/86/38/47/562863847.db2.gz ZYQJYYOVJZQCKZ-UZBSQRRVSA-N 2 0 529.773 3.476 1 0 KGAFRP CCCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CC[NH2+]CC2)C(=O)NCc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000169697467 562866485 /nfs/dbraw/zinc/86/64/85/562866485.db2.gz GWZGMZVWURNLOZ-JHOUSYSJSA-N 2 0 709.958 3.159 1 0 KGAFRP CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CC[NH2+]CC2)C(=O)NCc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000169697469 562866449 /nfs/dbraw/zinc/86/64/49/562866449.db2.gz RRYHCECMCWJEIU-JHOUSYSJSA-N 2 0 709.958 3.014 1 0 KGAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](CCC2CC[NH2+]CC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000169697470 562866488 /nfs/dbraw/zinc/86/64/88/562866488.db2.gz MCDKKKIUEGNSPK-AJQTZOPKSA-N 2 0 646.858 3.363 1 0 KGAFRP COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)N[C@@H](CCC2CC[NH2+]CC2)C(=O)NCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000169697473 562866482 /nfs/dbraw/zinc/86/64/82/562866482.db2.gz JPGNXUNXIAMWMQ-JHOUSYSJSA-N 2 0 704.894 3.149 1 0 KGAFRP O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](c3ccccc3)N3CC[NH2+]CC3)s2)s1)[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000169697781 562866620 /nfs/dbraw/zinc/86/66/20/562866620.db2.gz HPBMRZIUKFYHDM-VSGBNLITSA-N 2 0 660.874 3.125 1 0 KGAFRP O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](c3ccccc3)N3CC[NH2+]CC3)s2)s1)[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000169697782 562866621 /nfs/dbraw/zinc/86/66/21/562866621.db2.gz HPBMRZIUKFYHDM-HNRBIFIRSA-N 2 0 660.874 3.125 1 0 KGAFRP O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](c3ccccc3)N3CC[NH2+]CC3)s2)s1)[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000169697783 562866599 /nfs/dbraw/zinc/86/65/99/562866599.db2.gz HPBMRZIUKFYHDM-NSOVKSMOSA-N 2 0 660.874 3.125 1 0 KGAFRP O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](c3ccccc3)N3CC[NH2+]CC3)s2)s1)[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000169697787 562866607 /nfs/dbraw/zinc/86/66/07/562866607.db2.gz ZJVZJCAPXRNFML-VSGBNLITSA-N 2 0 692.941 3.078 1 0 KGAFRP O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](c3ccccc3)N3CC[NH2+]CC3)s2)s1)[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000169697789 562866612 /nfs/dbraw/zinc/86/66/12/562866612.db2.gz ZJVZJCAPXRNFML-HNRBIFIRSA-N 2 0 692.941 3.078 1 0 KGAFRP O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](c3ccccc3)N3CC[NH2+]CC3)s2)s1)[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000169697791 562866609 /nfs/dbraw/zinc/86/66/09/562866609.db2.gz ZJVZJCAPXRNFML-NSOVKSMOSA-N 2 0 692.941 3.078 1 0 KGAFRP [NH3+][C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H]([NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169697947 562866739 /nfs/dbraw/zinc/86/67/39/562866739.db2.gz VJXBEJWMWIMCGK-PMACEKPBSA-N 2 0 554.727 3.185 1 0 KGAFRP [NH3+][C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]([NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169697967 562866773 /nfs/dbraw/zinc/86/67/73/562866773.db2.gz FUDOOJFACOTHDC-PMACEKPBSA-N 2 0 522.660 3.232 1 0 KGAFRP [NH3+]C[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](C[NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169698037 562866865 /nfs/dbraw/zinc/86/68/65/562866865.db2.gz VQTYJHZQUJTNCE-BGYRXZFFSA-N 2 0 582.781 3.270 1 0 KGAFRP [NH3+]C[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](C[NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169698038 562866848 /nfs/dbraw/zinc/86/68/48/562866848.db2.gz VQTYJHZQUJTNCE-PMACEKPBSA-N 2 0 582.781 3.270 1 0 KGAFRP [NH3+]C[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](C[NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169698039 562866854 /nfs/dbraw/zinc/86/68/54/562866854.db2.gz VQTYJHZQUJTNCE-WOJBJXKFSA-N 2 0 582.781 3.270 1 0 KGAFRP [NH3+]C[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](C[NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169698040 562866855 /nfs/dbraw/zinc/86/68/55/562866855.db2.gz ZYXVAVASAOBIJY-BGYRXZFFSA-N 2 0 550.714 3.317 1 0 KGAFRP [NH3+]C[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](C[NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169698041 562866847 /nfs/dbraw/zinc/86/68/47/562866847.db2.gz ZYXVAVASAOBIJY-PMACEKPBSA-N 2 0 550.714 3.317 1 0 KGAFRP [NH3+]C[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](C[NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169698042 562866839 /nfs/dbraw/zinc/86/68/39/562866839.db2.gz ZYXVAVASAOBIJY-WOJBJXKFSA-N 2 0 550.714 3.317 1 0 KGAFRP O=C(Cc1cccc(CN2CC[NH2+]CC2)c1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(CN4CC[NH2+]CC4)c3)s2)s1 ZINC000169698133 562866929 /nfs/dbraw/zinc/86/69/29/562866929.db2.gz AWSRXSATQGAXPD-UHFFFAOYSA-N 2 0 688.928 3.128 1 0 KGAFRP [NH3+]Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(C[NH3+])c4)s3)s2)c1 ZINC000169698216 562866995 /nfs/dbraw/zinc/86/69/95/562866995.db2.gz FXBRSTSRKBHOQR-UHFFFAOYSA-N 2 0 550.714 3.235 1 0 KGAFRP N=C1NC(=[NH2+])N[C@@H](/C=C\c2ccccc2)N1OCCCCCCON1C(=N)NC(=[NH2+])N[C@@H]1/C=C\c1ccccc1 ZINC000195431802 562871859 /nfs/dbraw/zinc/87/18/59/562871859.db2.gz GKMZEVUPPXQNSS-BGNNRGMESA-N 2 0 544.664 3.218 1 0 KGAFRP N=C1NC(=[NH2+])N[C@@H](/C=C/c2ccccc2)N1OCCCCCCON1C(=N)NC(=[NH2+])N[C@@H]1/C=C\c1ccccc1 ZINC000195431811 562871851 /nfs/dbraw/zinc/87/18/51/562871851.db2.gz GKMZEVUPPXQNSS-JGIVPIATSA-N 2 0 544.664 3.218 1 0 KGAFRP CCc1nc(C(N)=O)c(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1Oc1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000205338723 562875107 /nfs/dbraw/zinc/87/51/07/562875107.db2.gz HIBWFBVIUFIIAN-JXMROGBWSA-N 2 0 558.687 3.482 1 0 KGAFRP O[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@@H](O)CN7)cc6o5)cn4)[nH]c3c2)=[NH+]C1 ZINC000206952560 562876615 /nfs/dbraw/zinc/87/66/15/562876615.db2.gz DWHSRRQNSXRYEY-UHFFFAOYSA-N 2 0 506.566 3.065 1 0 KGAFRP C[C@H]1CN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1n1ccnn1 ZINC000207149467 562876640 /nfs/dbraw/zinc/87/66/40/562876640.db2.gz MYFHTAWVDSNJJK-IKGLDXFJSA-N 2 0 508.508 3.429 1 0 KGAFRP COC(=O)N[C@@H]1[C@H]([NH3+])CN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1C ZINC000207197987 562876677 /nfs/dbraw/zinc/87/66/77/562876677.db2.gz FOLQUIHQXSLLJC-GZOOOWMASA-N 2 0 514.508 3.321 1 0 KGAFRP CC(=O)N(C)[C@@H]1[C@H]([NH3+])CN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1C ZINC000207242293 562876709 /nfs/dbraw/zinc/87/67/09/562876709.db2.gz YNEGBXLIRVRZOK-FSKGLPCWSA-N 2 0 512.536 3.444 1 0 KGAFRP C[C@H]1CN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1n1cncn1 ZINC000207270825 562876691 /nfs/dbraw/zinc/87/66/91/562876691.db2.gz ZBIYVIOSDQBGRR-IKGLDXFJSA-N 2 0 508.508 3.429 1 0 KGAFRP [NH3+][C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H]([NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000219988516 562878349 /nfs/dbraw/zinc/87/83/49/562878349.db2.gz VJXBEJWMWIMCGK-WOJBJXKFSA-N 2 0 554.727 3.185 1 0 KGAFRP CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000220558133 562878611 /nfs/dbraw/zinc/87/86/11/562878611.db2.gz WNIILMDFKJINIT-LZDVKRKESA-N 2 0 543.708 3.303 1 0 KGAFRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](CC2CC2)CC[C@]513 ZINC000221182967 562878796 /nfs/dbraw/zinc/87/87/96/562878796.db2.gz HRLOJAIXFBVECA-WLQXWTRFSA-N 2 0 509.691 3.106 1 0 KGAFRP CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H]([NH3+])CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000221197326 562878816 /nfs/dbraw/zinc/87/88/16/562878816.db2.gz DWFNYQNOFWYTOA-YRUBBQLKSA-N 2 0 509.691 3.106 1 0 KGAFRP CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000221197494 562878820 /nfs/dbraw/zinc/87/88/20/562878820.db2.gz YUVRJTMEMZAPTD-QIUTYDHRSA-N 2 0 559.707 3.009 1 0 KGAFRP Cc1sc2nc(N3CC[C@@H](C(N)=O)C3)nc(N3CCC(C[NH2+]CC[C@@H]4CCCC[N@H+]4C)CC3)c2c1C ZINC000223007032 562880050 /nfs/dbraw/zinc/88/00/50/562880050.db2.gz ZKMYMZXODGHJQG-YADHBBJMSA-N 2 0 513.756 3.300 1 0 KGAFRP NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCc5ccc(NC(N)=[NH2+])cc5)CC4)CCC3)CC2)cc1 ZINC000253632782 562882022 /nfs/dbraw/zinc/88/20/22/562882022.db2.gz BYQFZIDMWZQLEL-RNPORBBMSA-N 2 0 748.890 3.017 1 0 KGAFRP NC(=[NH2+])c1ccc(CCC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CCc5ccc(C(N)=[NH2+])cc5)CC4)CCC3)CC2)cc1 ZINC000253669651 562882702 /nfs/dbraw/zinc/88/27/02/562882702.db2.gz SZSTYZLOARLHRK-MEKGRNQZSA-N 2 0 716.884 3.473 1 0 KGAFRP CC(C)C[C@H]1C[NH+]=C(N)N1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)[NH+](C)C)C1=[NH2+] ZINC000299828127 562884330 /nfs/dbraw/zinc/88/43/30/562884330.db2.gz HGZBQYDRJAWECA-DTXPUJKBSA-N 3 0 576.834 3.215 1 0 KGAFRP CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)[NH+](C)C ZINC000299828244 562884377 /nfs/dbraw/zinc/88/43/77/562884377.db2.gz HSPMUSUKBANKMW-ORYMTKCHSA-N 2 0 577.814 3.246 1 0 KGAFRP [NH3+][C@H]1CCCC[C@H]1Nc1cccc2nc(-c3c(=O)[nH]c(N4CCOCC4)nc3N[C@@H]3CCC[NH2+]C3)sc21 ZINC000299829891 562885025 /nfs/dbraw/zinc/88/50/25/562885025.db2.gz IDOKIDZCLXOGDP-FGTMMUONSA-N 2 0 524.695 3.141 1 0 KGAFRP Cn1c2ccc(C(=O)OCC[NH+](C)C)cc2c2nc(N3CCC[C@@H]([NH3+])C3)n(Cc3ccccc3Cl)c2c1=O ZINC000299851184 562890698 /nfs/dbraw/zinc/89/06/98/562890698.db2.gz AVYRSRSLQUUMEM-HXUWFJFHSA-N 2 0 537.064 3.236 1 0 KGAFRP S=C(NCCC[NH2+]CCCCC[NH2+]CCCNC(=S)NCc1ccccc1)NCc1ccccc1 ZINC000299853834 562891222 /nfs/dbraw/zinc/89/12/22/562891222.db2.gz QSQNABRUGVLPPR-UHFFFAOYSA-N 2 0 514.809 3.445 1 0 KGAFRP COC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(N)c(NC(=O)[C@@H]([NH3+])CCc2ccc(OCc3ccccc3)cc2)c1 ZINC000299863152 562893766 /nfs/dbraw/zinc/89/37/66/562893766.db2.gz OOGZWXQNBBIFCX-SVBPBHIXSA-N 2 0 561.683 3.147 1 0 KGAFRP NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@@H]1CC[C@H]2c3[nH]c4ccccc4c3CCN2C1 ZINC000299865464 562894382 /nfs/dbraw/zinc/89/43/82/562894382.db2.gz TXVUROLPUDSHNS-GMIKAHHASA-N 2 0 790.957 3.250 1 0 KGAFRP NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1 ZINC000299865465 562894394 /nfs/dbraw/zinc/89/43/94/562894394.db2.gz TXVUROLPUDSHNS-IRUKTGRDSA-N 2 0 790.957 3.250 1 0 KGAFRP NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1 ZINC000299865466 562894411 /nfs/dbraw/zinc/89/44/11/562894411.db2.gz TXVUROLPUDSHNS-XHUJMWDFSA-N 2 0 790.957 3.250 1 0 KGAFRP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)/C=C/C[NH3+])c2)n1 ZINC000473108501 562898394 /nfs/dbraw/zinc/89/83/94/562898394.db2.gz MKWLDXMSFKOHMH-QPJJXVBHSA-N 2 0 537.068 3.121 1 0 KGAFRP COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CC[NH+](CCCCCCCCN5CC[NH2+]CC5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000473108574 562898406 /nfs/dbraw/zinc/89/84/06/562898406.db2.gz NRMDQWTWRPTGQW-GTPNLVIDSA-N 2 0 721.896 3.094 1 0 KGAFRP COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C(=O)CC[NH2+]CCC[NH+](C)C)CC2)nc2ccccc12 ZINC000473128307 562899919 /nfs/dbraw/zinc/89/99/19/562899919.db2.gz ZAFXZDLAYOANAW-UHFFFAOYSA-N 2 0 501.631 3.035 1 0 KGAFRP [NH3+]CCCC[N@H+](C[C@H]1CN(S(=O)(=O)c2cc3ccccc3s2)CCN1)[C@H]1CCCc2cccnc21 ZINC000473154908 562902290 /nfs/dbraw/zinc/90/22/90/562902290.db2.gz MNNBALJLXVSZMB-GOTSBHOMSA-N 2 0 513.733 3.377 1 0 KGAFRP [NH3+]CCCC[N@H+](C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CCN1)[C@H]1CCCc2cccnc21 ZINC000473155275 562902432 /nfs/dbraw/zinc/90/24/32/562902432.db2.gz RBVVREZHHVXSTH-BDYUSTAISA-N 2 0 507.704 3.316 1 0 KGAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C=C2SC(=O)N(CCC3CCCCC3)C2=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000474602280 562905174 /nfs/dbraw/zinc/90/51/74/562905174.db2.gz AWIXSRRWIZEAKH-MBACJRCFSA-N 2 0 775.977 3.012 1 0 KGAFRP CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]4CCC[C@H]([C@H]2CCCC[NH+]2CCN(C)CC2)[C@H]34)cc1 ZINC000474609686 562905667 /nfs/dbraw/zinc/90/56/67/562905667.db2.gz SLTMIZZSTHKWGT-VWEWBFCZSA-N 2 0 516.752 3.170 1 0 KGAFRP CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]4CCC[C@H]([C@H]2CCCC[NH+]2CCOCC2)[C@H]34)cc1 ZINC000474609705 562905662 /nfs/dbraw/zinc/90/56/62/562905662.db2.gz SVEWQGFPKREJCF-CRJMXQGDSA-N 2 0 503.709 3.255 1 0 KGAFRP Cc1sc2nc(N3CC[C@@H](C(N)=O)C3)nc(N3CCC(C[NH2+]CC[C@H]4CCCC[N@H+]4C)CC3)c2c1C ZINC000653778423 562912012 /nfs/dbraw/zinc/91/20/12/562912012.db2.gz ZKMYMZXODGHJQG-FGZHOGPDSA-N 2 0 513.756 3.300 1 0 KGAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(-c2cccs2)s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653779703 562912087 /nfs/dbraw/zinc/91/20/87/562912087.db2.gz NKNBVXOTUIYKGC-NCZODNFJSA-N 2 0 732.933 3.374 1 0 KGAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cc(-c2ccccc2)cs1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653788054 562912506 /nfs/dbraw/zinc/91/25/06/562912506.db2.gz VUAXGVRRINFSGE-MZSJJGOWSA-N 2 0 726.904 3.312 1 0 KGAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653790989 562912662 /nfs/dbraw/zinc/91/26/62/562912662.db2.gz YUYIICNYVXPKIF-WSZLSEGOSA-N 2 0 726.904 3.312 1 0 KGAFRP COc1cccc(COc2ccc([C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3ccc(-c4cccs4)s3)C(N)=O)cc2)c1 ZINC000653795221 562912998 /nfs/dbraw/zinc/91/29/98/562912998.db2.gz CRRMQORWVFJFIV-ALKXEMMNSA-N 2 0 762.959 3.382 1 0 KGAFRP O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(C2CCCC2)c1)N1CCN(C(=O)c2cc(F)cc(N3CC[NH2+]CC3)c2)CC1 ZINC000653861111 562915954 /nfs/dbraw/zinc/91/59/54/562915954.db2.gz YKNDPTPDMQNMDD-MHZLTWQESA-N 2 0 549.691 3.232 1 0 KGAFRP O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccc(F)cc2)c1)N1CCN(C(=O)c2cc(F)cc(N3CC[NH2+]CC3)c2)CC1 ZINC000653886927 562916999 /nfs/dbraw/zinc/91/69/99/562916999.db2.gz LXPIWIDLDOAJGK-NDEPHWFRSA-N 2 0 575.660 3.380 1 0 KGAFRP [NH3+]CCc1cc(F)cc(C(=O)N2CCN(C(=O)c3ccc(O[C@H]4CC[NH2+]C4)c(-c4ccc(F)cc4)c3)CC2)c1 ZINC000653887947 562917064 /nfs/dbraw/zinc/91/70/64/562917064.db2.gz DBHHKKMPGXLNOE-SANMLTNESA-N 2 0 534.607 3.472 1 0 KGAFRP COc1ccc2cc3[n+](cc2c1OC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)CCc1cc2c(cc1-3)OCO2 ZINC000653888063 562917138 /nfs/dbraw/zinc/91/71/38/562917138.db2.gz RXODMGOHGOAGGL-UHFFFAOYSA-N 2 0 531.633 3.298 1 0 KGAFRP COc1ccc2cc3[n+](cc2c1OC(=O)N1CCN(C2CC[NH+](C)CC2)CC1)CCc1cc2c(cc1-3)OCO2 ZINC000653894810 562917300 /nfs/dbraw/zinc/91/73/00/562917300.db2.gz NIIXNAPSBLKZDL-UHFFFAOYSA-N 2 0 531.633 3.298 1 0 KGAFRP