smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)CC1=O ZINC000091832833 530235251 /nfs/dbraw/zinc/23/52/51/530235251.db2.gz NACDJWKZGPICLO-CQSZACIVSA-N 1 2 387.274 0.979 10 0 GCAELO COCCN1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)CC1=O ZINC000091832833 530235253 /nfs/dbraw/zinc/23/52/53/530235253.db2.gz NACDJWKZGPICLO-CQSZACIVSA-N 1 2 387.274 0.979 10 0 GCAELO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000600782100 530242708 /nfs/dbraw/zinc/24/27/08/530242708.db2.gz BGQLEFFVAJXBPB-CQSZACIVSA-N 1 2 387.527 0.796 10 0 GCAELO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000600782100 530242710 /nfs/dbraw/zinc/24/27/10/530242710.db2.gz BGQLEFFVAJXBPB-CQSZACIVSA-N 1 2 387.527 0.796 10 0 GCAELO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1Br ZINC000120538172 530269646 /nfs/dbraw/zinc/26/96/46/530269646.db2.gz VBPHLSGJKLBSLO-SECBINFHSA-N 1 2 395.257 0.962 10 0 GCAELO COc1ccc(Br)c(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000133126474 530318514 /nfs/dbraw/zinc/31/85/14/530318514.db2.gz XYUGUNOKGAIHAL-ZDUSSCGKSA-N 1 2 387.274 0.810 10 0 GCAELO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000181443574 530371501 /nfs/dbraw/zinc/37/15/01/530371501.db2.gz GNFTUBMRZFILNA-JTQLQIEISA-N 1 2 385.262 0.928 10 0 GCAELO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)cnc1Br ZINC000182680577 530373111 /nfs/dbraw/zinc/37/31/11/530373111.db2.gz YZEVKWPASFYSEE-LLVKDONJSA-N 1 2 385.262 0.928 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@H](C)O1 ZINC000042169265 530374484 /nfs/dbraw/zinc/37/44/84/530374484.db2.gz NKIPMWQGSLFXDM-QLFBSQMISA-N 1 2 379.548 0.138 10 0 GCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1cccc(I)c1 ZINC000185138466 530377137 /nfs/dbraw/zinc/37/71/37/530377137.db2.gz YLTRCKATLXHAGK-NEPJUHHUSA-N 1 2 376.194 0.657 10 0 GCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1cccc(I)c1 ZINC000185138466 530377139 /nfs/dbraw/zinc/37/71/39/530377139.db2.gz YLTRCKATLXHAGK-NEPJUHHUSA-N 1 2 376.194 0.657 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C[C@@H]21 ZINC000284122390 530383746 /nfs/dbraw/zinc/38/37/46/530383746.db2.gz OTFIMADZQRTVRP-WDEREUQCSA-N 1 2 381.234 0.432 10 0 GCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C[C@@H]21 ZINC000284122390 530383747 /nfs/dbraw/zinc/38/37/47/530383747.db2.gz OTFIMADZQRTVRP-WDEREUQCSA-N 1 2 381.234 0.432 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@@H]21 ZINC000284200100 530384189 /nfs/dbraw/zinc/38/41/89/530384189.db2.gz TWYHKGGUBSQVNQ-QWRGUYRKSA-N 1 2 386.246 0.703 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@@H]21 ZINC000284200100 530384192 /nfs/dbraw/zinc/38/41/92/530384192.db2.gz TWYHKGGUBSQVNQ-QWRGUYRKSA-N 1 2 386.246 0.703 10 0 GCAELO CNS(=O)(=O)CCC[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000111216725 530495598 /nfs/dbraw/zinc/49/55/98/530495598.db2.gz GOSTZFXSUXUQLI-UHFFFAOYSA-N 1 2 379.280 0.654 10 0 GCAELO CNS(=O)(=O)CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000111216725 530495599 /nfs/dbraw/zinc/49/55/99/530495599.db2.gz GOSTZFXSUXUQLI-UHFFFAOYSA-N 1 2 379.280 0.654 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CSc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328897425 530518639 /nfs/dbraw/zinc/51/86/39/530518639.db2.gz WDMDNRLWLQURET-VHSXEESVSA-N 1 2 380.396 0.259 10 0 GCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CSc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328897425 530518641 /nfs/dbraw/zinc/51/86/41/530518641.db2.gz WDMDNRLWLQURET-VHSXEESVSA-N 1 2 380.396 0.259 10 0 GCAELO C[C@@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC[N@@H+]1CCO ZINC000188723459 530550070 /nfs/dbraw/zinc/55/00/70/530550070.db2.gz XEWZVVPADJALEJ-LLVKDONJSA-N 1 2 398.261 0.821 10 0 GCAELO C[C@@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC[N@H+]1CCO ZINC000188723459 530550072 /nfs/dbraw/zinc/55/00/72/530550072.db2.gz XEWZVVPADJALEJ-LLVKDONJSA-N 1 2 398.261 0.821 10 0 GCAELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C2 ZINC000329298852 530609996 /nfs/dbraw/zinc/60/99/96/530609996.db2.gz UOLACMCLYUABFL-GFCCVEGCSA-N 1 2 389.543 0.992 10 0 GCAELO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329370510 530611302 /nfs/dbraw/zinc/61/13/02/530611302.db2.gz AUCZEEAZHWFIDJ-AWEZNQCLSA-N 1 2 387.527 0.795 10 0 GCAELO COCC[N@@H+]1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)C[C@H]1C ZINC000330162399 530628229 /nfs/dbraw/zinc/62/82/29/530628229.db2.gz AHIBXQYJEWSAIA-NVXWUHKLSA-N 1 2 375.535 0.760 10 0 GCAELO COCC[N@H+]1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)C[C@H]1C ZINC000330162399 530628232 /nfs/dbraw/zinc/62/82/32/530628232.db2.gz AHIBXQYJEWSAIA-NVXWUHKLSA-N 1 2 375.535 0.760 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000330178657 530628599 /nfs/dbraw/zinc/62/85/99/530628599.db2.gz DWJZRCTWMVOIRC-ZMSDIMECSA-N 1 2 375.535 0.494 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000330178657 530628603 /nfs/dbraw/zinc/62/86/03/530628603.db2.gz DWJZRCTWMVOIRC-ZMSDIMECSA-N 1 2 375.535 0.494 10 0 GCAELO COC(=O)c1ncsc1S(=O)(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000462672246 530653192 /nfs/dbraw/zinc/65/31/92/530653192.db2.gz DDQCCBXJCFHSEL-UHFFFAOYSA-N 1 2 383.455 0.539 10 0 GCAELO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)ncc1Br ZINC000192919969 530677427 /nfs/dbraw/zinc/67/74/27/530677427.db2.gz VPKUMAJNTFPXDP-LLVKDONJSA-N 1 2 385.262 0.928 10 0 GCAELO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367231013 530694869 /nfs/dbraw/zinc/69/48/69/530694869.db2.gz LVQPWJRFLROWBD-JKSUJKDBSA-N 1 2 376.519 0.196 10 0 GCAELO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1Br ZINC000178963271 530852175 /nfs/dbraw/zinc/85/21/75/530852175.db2.gz PDSPUWWFPZJSSK-CYBMUJFWSA-N 1 2 381.274 0.812 10 0 GCAELO COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178965443 530852217 /nfs/dbraw/zinc/85/22/17/530852217.db2.gz DTDOKTWSMIQUIN-NSHDSACASA-N 1 2 397.273 0.512 10 0 GCAELO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178968514 530852425 /nfs/dbraw/zinc/85/24/25/530852425.db2.gz AFAZUUTVGDNDQW-JSGCOSHPSA-N 1 2 386.905 0.123 10 0 GCAELO CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000171021132 530842853 /nfs/dbraw/zinc/84/28/53/530842853.db2.gz OIAJWYFTVIAPFM-CQSZACIVSA-N 1 2 386.543 0.849 10 0 GCAELO CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000171021132 530842855 /nfs/dbraw/zinc/84/28/55/530842855.db2.gz OIAJWYFTVIAPFM-CQSZACIVSA-N 1 2 386.543 0.849 10 0 GCAELO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000262295702 530974718 /nfs/dbraw/zinc/97/47/18/530974718.db2.gz PBHFFZLUXGAIQU-OCCSQVGLSA-N 1 2 381.479 0.859 10 0 GCAELO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000262295700 530974840 /nfs/dbraw/zinc/97/48/40/530974840.db2.gz PBHFFZLUXGAIQU-GXTWGEPZSA-N 1 2 381.479 0.859 10 0 GCAELO C[C@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000248507901 530979704 /nfs/dbraw/zinc/97/97/04/530979704.db2.gz ZCXITNCLGOTWFF-WCQYABFASA-N 1 2 382.408 0.787 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000130490114 530988742 /nfs/dbraw/zinc/98/87/42/530988742.db2.gz LRKRKHSRCJCEDQ-WBVHZDCISA-N 1 2 385.917 0.932 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000130490114 530988746 /nfs/dbraw/zinc/98/87/46/530988746.db2.gz LRKRKHSRCJCEDQ-WBVHZDCISA-N 1 2 385.917 0.932 10 0 GCAELO COCCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263038701 530999906 /nfs/dbraw/zinc/99/99/06/530999906.db2.gz SPSZBLYVDAYQBW-CYBMUJFWSA-N 1 2 377.413 0.225 10 0 GCAELO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107301046 531035925 /nfs/dbraw/zinc/03/59/25/531035925.db2.gz YCLXHWIXXGHCSK-GFCCVEGCSA-N 1 2 388.456 0.538 10 0 GCAELO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107301046 531035927 /nfs/dbraw/zinc/03/59/27/531035927.db2.gz YCLXHWIXXGHCSK-GFCCVEGCSA-N 1 2 388.456 0.538 10 0 GCAELO C[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC000368202512 531047394 /nfs/dbraw/zinc/04/73/94/531047394.db2.gz OYOLXUOTUBZOLO-RRFJBIMHSA-N 1 2 375.535 0.829 10 0 GCAELO C[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC000368202512 531047397 /nfs/dbraw/zinc/04/73/97/531047397.db2.gz OYOLXUOTUBZOLO-RRFJBIMHSA-N 1 2 375.535 0.829 10 0 GCAELO C[N@H+](C[C@H](O)CN1CCCC1=O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000121511716 531048393 /nfs/dbraw/zinc/04/83/93/531048393.db2.gz VBOZQUQKQBJXEU-ZFWWWQNUSA-N 1 2 384.274 0.891 10 0 GCAELO C[N@@H+](C[C@H](O)CN1CCCC1=O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000121511716 531048395 /nfs/dbraw/zinc/04/83/95/531048395.db2.gz VBOZQUQKQBJXEU-ZFWWWQNUSA-N 1 2 384.274 0.891 10 0 GCAELO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263244752 531109102 /nfs/dbraw/zinc/10/91/02/531109102.db2.gz PDEFANBQJFGAOH-SNVBAGLBSA-N 1 2 393.378 0.799 10 0 GCAELO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679824275 531158044 /nfs/dbraw/zinc/15/80/44/531158044.db2.gz OYKWELZVCONHGC-HNNXBMFYSA-N 1 2 375.516 0.832 10 0 GCAELO CCS(=O)(=O)NCC[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679824275 531158045 /nfs/dbraw/zinc/15/80/45/531158045.db2.gz OYKWELZVCONHGC-HNNXBMFYSA-N 1 2 375.516 0.832 10 0 GCAELO COC(=O)C[C@H]1C(=O)N(c2ccccc2)C(=S)N1CC[NH+]1CCOCC1 ZINC000039280817 205040799 /nfs/dbraw/zinc/04/07/99/205040799.db2.gz ZHKICZPYBKCGBG-HNNXBMFYSA-N 1 2 377.466 0.884 10 0 GCAELO CC(C)NC(=O)CN1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000076649280 206211279 /nfs/dbraw/zinc/21/12/79/206211279.db2.gz URSWUOMPHYQYFG-CQSZACIVSA-N 1 2 378.439 0.930 10 0 GCAELO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccco3)C[N@@H+]21)N1CCCCC1 ZINC000015708506 526562139 /nfs/dbraw/zinc/56/21/39/526562139.db2.gz WQUTVHVXZVVRFK-XHSDSOJGSA-N 1 2 388.468 0.743 10 0 biogenic GCAELO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccco3)C[N@H+]21)N1CCCCC1 ZINC000015708506 526562143 /nfs/dbraw/zinc/56/21/43/526562143.db2.gz WQUTVHVXZVVRFK-XHSDSOJGSA-N 1 2 388.468 0.743 10 0 biogenic GCAELO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000753784759 640438256 /nfs/dbraw/zinc/43/82/56/640438256.db2.gz GFTNLLCXEAMSDH-AWEZNQCLSA-N 1 2 379.523 0.884 10 0 GCAELO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000753784759 640438260 /nfs/dbraw/zinc/43/82/60/640438260.db2.gz GFTNLLCXEAMSDH-AWEZNQCLSA-N 1 2 379.523 0.884 10 0 GCAELO C[C@H](CO)C[NH+]1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000766915232 640709241 /nfs/dbraw/zinc/70/92/41/640709241.db2.gz BEJWDPBKKNSMJI-ZDUSSCGKSA-N 1 2 377.507 0.182 10 0 GCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000770261859 640801315 /nfs/dbraw/zinc/80/13/15/640801315.db2.gz FQALWCUXSJHUPW-KGLIPLIRSA-N 1 2 376.523 0.856 10 0 GCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000770261859 640801318 /nfs/dbraw/zinc/80/13/18/640801318.db2.gz FQALWCUXSJHUPW-KGLIPLIRSA-N 1 2 376.523 0.856 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cnc1Br ZINC000190031003 642054557 /nfs/dbraw/zinc/05/45/57/642054557.db2.gz DWDZYHPKFNIVKC-LLVKDONJSA-N 1 2 385.262 0.616 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cnc1Br ZINC000190031003 642054561 /nfs/dbraw/zinc/05/45/61/642054561.db2.gz DWDZYHPKFNIVKC-LLVKDONJSA-N 1 2 385.262 0.616 10 0 GCAELO C/C(=C/C(=O)NCCN(C)S(=O)(=O)c1cccs1)C[NH+]1CCOCC1 ZINC000901149030 642125086 /nfs/dbraw/zinc/12/50/86/642125086.db2.gz GLSMZNBDYHPDON-OWBHPGMISA-N 1 2 387.527 0.763 10 0 GCAELO Cn1c(=O)c(C(=O)C[N@H+](C)CC2(CO)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000186775639 1192289369 /nfs/dbraw/zinc/28/93/69/1192289369.db2.gz HTEOLOPVNXULAL-UHFFFAOYSA-N 1 2 386.452 0.065 10 0 GCAELO Cn1c(=O)c(C(=O)C[N@@H+](C)CC2(CO)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000186775639 1192289372 /nfs/dbraw/zinc/28/93/72/1192289372.db2.gz HTEOLOPVNXULAL-UHFFFAOYSA-N 1 2 386.452 0.065 10 0 GCAELO Cc1cc(N2CCN(C(=O)CN3CCN(C)C(=O)[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000186991415 1192298560 /nfs/dbraw/zinc/29/85/60/1192298560.db2.gz ZMOHDBFNSIFVMG-INIZCTEOSA-N 1 2 388.516 0.720 10 0 GCAELO CCc1ccc(C[NH+]2CCN(C(=O)Cn3ncn4nccc4c3=O)CC2)s1 ZINC000128723864 1192346747 /nfs/dbraw/zinc/34/67/47/1192346747.db2.gz DCYHROHVJWROHS-UHFFFAOYSA-N 1 2 386.481 0.859 10 0 GCAELO O=C(NCCCO[C@@H]1CCOC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000579861599 1184383658 /nfs/dbraw/zinc/38/36/58/1184383658.db2.gz ZRKWHHVGGLKBAH-GOSISDBHSA-N 1 2 386.452 0.859 10 0 GCAELO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000683566551 1184778814 /nfs/dbraw/zinc/77/88/14/1184778814.db2.gz AIABNYXIRPNFJB-LSDHHAIUSA-N 1 2 377.470 0.776 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@H]21 ZINC000581443542 1185690716 /nfs/dbraw/zinc/69/07/16/1185690716.db2.gz DOFBKVLOGFWOTD-HZPDHXFCSA-N 1 2 387.440 0.675 10 0 GCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@H]21 ZINC000581443542 1185690721 /nfs/dbraw/zinc/69/07/21/1185690721.db2.gz DOFBKVLOGFWOTD-HZPDHXFCSA-N 1 2 387.440 0.675 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC(C)(F)C3)cc2)CC1 ZINC000684305359 1185757388 /nfs/dbraw/zinc/75/73/88/1185757388.db2.gz MZJLUIASOKIINV-UHFFFAOYSA-N 1 2 376.432 0.860 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000581752768 1185878326 /nfs/dbraw/zinc/87/83/26/1185878326.db2.gz SFXSMTZLYOIMQM-DISONHOPSA-N 1 2 391.512 0.629 10 0 GCAELO C[C@H](NC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000276681792 1185960952 /nfs/dbraw/zinc/96/09/52/1185960952.db2.gz ZTZILVWHTVREMC-ULQDDVLXSA-N 1 2 376.505 0.802 10 0 GCAELO CC(=O)N(C)c1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000471898573 1186087963 /nfs/dbraw/zinc/08/79/63/1186087963.db2.gz WGMSCIRBGSZNLC-UHFFFAOYSA-N 1 2 396.513 0.454 10 0 GCAELO CO[C@H]1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000472101053 1186351706 /nfs/dbraw/zinc/35/17/06/1186351706.db2.gz AAXCZSFVGIPECJ-HOTGVXAUSA-N 1 2 375.473 0.987 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152403031 1186500757 /nfs/dbraw/zinc/50/07/57/1186500757.db2.gz SWUWSMYIMYJADT-CJNGLKHVSA-N 1 2 380.807 0.891 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152403031 1186500762 /nfs/dbraw/zinc/50/07/62/1186500762.db2.gz SWUWSMYIMYJADT-CJNGLKHVSA-N 1 2 380.807 0.891 10 0 GCAELO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1=O ZINC000152474855 1186523399 /nfs/dbraw/zinc/52/33/99/1186523399.db2.gz ZENUMJLGCRHOTR-WMLDXEAASA-N 1 2 394.834 0.901 10 0 GCAELO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1=O ZINC000152474855 1186523402 /nfs/dbraw/zinc/52/34/02/1186523402.db2.gz ZENUMJLGCRHOTR-WMLDXEAASA-N 1 2 394.834 0.901 10 0 GCAELO CCN(C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1)S(C)(=O)=O ZINC000066882759 1186589483 /nfs/dbraw/zinc/58/94/83/1186589483.db2.gz WOVRPJTYORTMCJ-DLBZAZTESA-N 1 2 387.546 0.902 10 0 GCAELO CCC(C)(C)NC(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158717787 1186607075 /nfs/dbraw/zinc/60/70/75/1186607075.db2.gz GLDXICDXNIVFHG-UHFFFAOYSA-N 1 2 376.505 0.740 10 0 GCAELO COc1cccc([C@H]2C[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)c1 ZINC000120319650 1186710911 /nfs/dbraw/zinc/71/09/11/1186710911.db2.gz CHLMEZDUGJJVBE-MRXNPFEDSA-N 1 2 399.451 0.516 10 0 GCAELO COc1cccc([C@H]2C[N@@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)c1 ZINC000120319650 1186710920 /nfs/dbraw/zinc/71/09/20/1186710920.db2.gz CHLMEZDUGJJVBE-MRXNPFEDSA-N 1 2 399.451 0.516 10 0 GCAELO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN1CCOCC1=O ZINC000468306863 1186832377 /nfs/dbraw/zinc/83/23/77/1186832377.db2.gz FNKZBLGGKSFRDB-QGZVFWFLSA-N 1 2 375.469 0.595 10 0 GCAELO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN1CCOCC1=O ZINC000468306862 1186832727 /nfs/dbraw/zinc/83/27/27/1186832727.db2.gz FNKZBLGGKSFRDB-KRWDZBQOSA-N 1 2 375.469 0.595 10 0 GCAELO CCOC1CC(CNC(=O)N2CCC[C@H](NC(=O)CC)C2)([NH+]2CCOCC2)C1 ZINC000583479733 1186865945 /nfs/dbraw/zinc/86/59/45/1186865945.db2.gz LTSRWFKXZKEBQD-VXESANQCSA-N 1 2 396.532 0.957 10 0 GCAELO O=C(NCCOC[C@@H]1CCCO1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000584424956 1187058058 /nfs/dbraw/zinc/05/80/58/1187058058.db2.gz APEMGJKJUXWEOB-SFHVURJKSA-N 1 2 386.452 0.859 10 0 GCAELO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000332859927 1187796341 /nfs/dbraw/zinc/79/63/41/1187796341.db2.gz UZRGLUCDHSTSEP-ILXRZTDVSA-N 1 2 382.482 0.698 10 0 GCAELO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000332859927 1187796345 /nfs/dbraw/zinc/79/63/45/1187796345.db2.gz UZRGLUCDHSTSEP-ILXRZTDVSA-N 1 2 382.482 0.698 10 0 GCAELO C[C@H](C(=O)N1CCN2CCOC[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000363847706 1189521861 /nfs/dbraw/zinc/52/18/61/1189521861.db2.gz DTQPXAZEBYTGNF-APWZRJJASA-N 1 2 376.476 0.879 10 0 GCAELO Cn1c[nH+]c(CCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000416539690 1189544431 /nfs/dbraw/zinc/54/44/31/1189544431.db2.gz YWKAVWIYLXSZSP-UHFFFAOYSA-N 1 2 376.438 0.568 10 0 GCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511569352 1189551894 /nfs/dbraw/zinc/55/18/94/1189551894.db2.gz ABXJPSWEDYRNBC-IAGOWNOFSA-N 1 2 390.484 0.686 10 0 GCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511569352 1189551898 /nfs/dbraw/zinc/55/18/98/1189551898.db2.gz ABXJPSWEDYRNBC-IAGOWNOFSA-N 1 2 390.484 0.686 10 0 GCAELO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccnc(C)n3)CC2)CC1 ZINC000759903217 1189818430 /nfs/dbraw/zinc/81/84/30/1189818430.db2.gz UYQNDKYHPIVZGJ-HNNXBMFYSA-N 1 2 390.488 0.596 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2CCN=C3C2=NNN3C)CC1 ZINC000613766456 1189978778 /nfs/dbraw/zinc/97/87/78/1189978778.db2.gz SHQWKNJQYZBVQG-MRXNPFEDSA-N 1 2 397.483 0.514 10 0 GCAELO COC(=O)[C@@H](N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000513452448 1193953467 /nfs/dbraw/zinc/95/34/67/1193953467.db2.gz MQZKBLRUHQMNBW-QAPCUYQASA-N 1 2 375.473 0.823 10 0 GCAELO COC(=O)[C@@H](N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000513452449 1193953575 /nfs/dbraw/zinc/95/35/75/1193953575.db2.gz MQZKBLRUHQMNBW-YJBOKZPZSA-N 1 2 375.473 0.823 10 0 GCAELO O=S(=O)(c1cnn(C2CCOCC2)c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261893343 1194793476 /nfs/dbraw/zinc/79/34/76/1194793476.db2.gz VSVVWXFULHEQDX-QGZVFWFLSA-N 1 2 377.470 0.965 10 0 GCAELO COc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000504437927 1194794172 /nfs/dbraw/zinc/79/41/72/1194794172.db2.gz FAMUNAKFXHWQCQ-OAHLLOKOSA-N 1 2 395.481 0.588 10 0 GCAELO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)n[nH]1 ZINC000434799073 1194871335 /nfs/dbraw/zinc/87/13/35/1194871335.db2.gz OMVDNOVCZZPBBE-LJQANCHMSA-N 1 2 397.439 0.701 10 0 GCAELO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)n[nH]1 ZINC000434799073 1194871337 /nfs/dbraw/zinc/87/13/37/1194871337.db2.gz OMVDNOVCZZPBBE-LJQANCHMSA-N 1 2 397.439 0.701 10 0 GCAELO C[C@H]1CCc2nc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)sc2C1 ZINC000435047686 1194884984 /nfs/dbraw/zinc/88/49/84/1194884984.db2.gz CCHPMQHNUVQGJJ-QWHCGFSZSA-N 1 2 396.513 0.358 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000514962201 1194932046 /nfs/dbraw/zinc/93/20/46/1194932046.db2.gz HCJCPAYHPAVDAA-DISONHOPSA-N 1 2 393.528 0.875 10 0 GCAELO COc1ccc(CN2C[C@H](C(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)CC2=O)cc1 ZINC000283969454 1194939717 /nfs/dbraw/zinc/93/97/17/1194939717.db2.gz GVPGYTYQIQZANY-NZSAHSFTSA-N 1 2 387.480 0.975 10 0 GCAELO COc1ccc(CN2C[C@H](C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)CC2=O)cc1 ZINC000283969454 1194939720 /nfs/dbraw/zinc/93/97/20/1194939720.db2.gz GVPGYTYQIQZANY-NZSAHSFTSA-N 1 2 387.480 0.975 10 0 GCAELO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1C ZINC000437029616 1195059786 /nfs/dbraw/zinc/05/97/86/1195059786.db2.gz ARVPUAHVLWVPIF-INIZCTEOSA-N 1 2 380.514 0.040 10 0 GCAELO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCOC[C@H](O)C3)CC2)c(F)c1 ZINC000295529681 1195283810 /nfs/dbraw/zinc/28/38/10/1195283810.db2.gz IWSUOSLAXCTRJH-MRXNPFEDSA-N 1 2 379.432 0.370 10 0 GCAELO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCOC[C@H](O)C3)CC2)c(F)c1 ZINC000295529681 1195283813 /nfs/dbraw/zinc/28/38/13/1195283813.db2.gz IWSUOSLAXCTRJH-MRXNPFEDSA-N 1 2 379.432 0.370 10 0 GCAELO CC(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC12CCCCC2 ZINC000519338016 1195394841 /nfs/dbraw/zinc/39/48/41/1195394841.db2.gz UIWSZCMDZIQKFI-UHFFFAOYSA-N 1 2 376.501 0.687 10 0 GCAELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000550279328 1195490818 /nfs/dbraw/zinc/49/08/18/1195490818.db2.gz HQBZRTFVRXDBLH-OAQYLSRUSA-N 1 2 399.495 0.817 10 0 GCAELO Cc1c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cccc1N(C)C ZINC000440995605 1195594971 /nfs/dbraw/zinc/59/49/71/1195594971.db2.gz WNIUHKBFZNLXSY-OAHLLOKOSA-N 1 2 378.473 0.151 10 0 GCAELO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190046981 1195756620 /nfs/dbraw/zinc/75/66/20/1195756620.db2.gz KVNHHCKSXOAQAL-AWEZNQCLSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190046981 1195756622 /nfs/dbraw/zinc/75/66/22/1195756622.db2.gz KVNHHCKSXOAQAL-AWEZNQCLSA-N 1 2 385.468 0.953 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CC[N@@H+]1CCO ZINC000190047344 1195756636 /nfs/dbraw/zinc/75/66/36/1195756636.db2.gz ZCBSYYNEXYHGPM-AWEZNQCLSA-N 1 2 389.431 0.534 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CC[N@H+]1CCO ZINC000190047344 1195756637 /nfs/dbraw/zinc/75/66/37/1195756637.db2.gz ZCBSYYNEXYHGPM-AWEZNQCLSA-N 1 2 389.431 0.534 10 0 GCAELO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CN2CCOCC2=O)[C@@H](C)C1 ZINC000508330441 1195917674 /nfs/dbraw/zinc/91/76/74/1195917674.db2.gz FRDBQNAUOWUXFE-INIZCTEOSA-N 1 2 375.469 0.977 10 0 GCAELO CCOc1ccccc1C[N@H+]1CCN(C(=O)CN2CCOCC2=O)[C@@H](C)C1 ZINC000508330441 1195917675 /nfs/dbraw/zinc/91/76/75/1195917675.db2.gz FRDBQNAUOWUXFE-INIZCTEOSA-N 1 2 375.469 0.977 10 0 GCAELO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(S(N)(=O)=O)CC1)CC2 ZINC000442962156 1196013296 /nfs/dbraw/zinc/01/32/96/1196013296.db2.gz CILKXBHTNRBJHO-UHFFFAOYSA-N 1 2 397.497 0.341 10 0 GCAELO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(S(N)(=O)=O)CC1)CC2 ZINC000442962156 1196013300 /nfs/dbraw/zinc/01/33/00/1196013300.db2.gz CILKXBHTNRBJHO-UHFFFAOYSA-N 1 2 397.497 0.341 10 0 GCAELO O=C(N[C@H]1CCN(c2ccccc2)C1=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000522023277 1196035496 /nfs/dbraw/zinc/03/54/96/1196035496.db2.gz IHOFTKSGWYPSGE-MSOLQXFVSA-N 1 2 394.431 0.983 10 0 GCAELO Cc1cc(N2CCN(C(=O)CN(C)CC(=O)N(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000051588662 1196086148 /nfs/dbraw/zinc/08/61/48/1196086148.db2.gz PVOVGDVUNUHTLO-UHFFFAOYSA-N 1 2 376.505 0.577 10 0 GCAELO Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000114411445 1196098553 /nfs/dbraw/zinc/09/85/53/1196098553.db2.gz DYZAKZNTLYDDDY-UHFFFAOYSA-N 1 2 395.467 0.716 10 0 GCAELO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329596500 1196207870 /nfs/dbraw/zinc/20/78/70/1196207870.db2.gz VTXINFVSAOKJGR-HZPDHXFCSA-N 1 2 395.525 0.796 10 0 GCAELO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329596500 1196207874 /nfs/dbraw/zinc/20/78/74/1196207874.db2.gz VTXINFVSAOKJGR-HZPDHXFCSA-N 1 2 395.525 0.796 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(F)cc2)CC[N@@H+]1CCO ZINC000192076911 1196212031 /nfs/dbraw/zinc/21/20/31/1196212031.db2.gz NXWBSEGNYAGONC-AWEZNQCLSA-N 1 2 389.431 0.534 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(F)cc2)CC[N@H+]1CCO ZINC000192076911 1196212034 /nfs/dbraw/zinc/21/20/34/1196212034.db2.gz NXWBSEGNYAGONC-AWEZNQCLSA-N 1 2 389.431 0.534 10 0 GCAELO C[C@H](C1CC1)n1nccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000171499056 1196404066 /nfs/dbraw/zinc/40/40/66/1196404066.db2.gz STXVERCMTDYRMM-ZBFHGGJFSA-N 1 2 375.473 0.973 10 0 GCAELO O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000282007829 1196472732 /nfs/dbraw/zinc/47/27/32/1196472732.db2.gz WOHRZIADGSKGGG-GOEBONIOSA-N 1 2 375.473 0.911 10 0 GCAELO O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000282007829 1196472737 /nfs/dbraw/zinc/47/27/37/1196472737.db2.gz WOHRZIADGSKGGG-GOEBONIOSA-N 1 2 375.473 0.911 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCC[C@@H](C)O)CC1 ZINC000445090444 1196546525 /nfs/dbraw/zinc/54/65/25/1196546525.db2.gz VKOFSWZQWURBDY-CQSZACIVSA-N 1 2 376.457 0.176 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H](C)c3cn[nH]c3)c2)CC1 ZINC000445115432 1196550455 /nfs/dbraw/zinc/55/04/55/1196550455.db2.gz GIKBBQGFOQYRNA-CQSZACIVSA-N 1 2 398.467 0.890 10 0 GCAELO O=C(Nc1cccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1)[C@H]1CCCO1 ZINC000525341920 1196674988 /nfs/dbraw/zinc/67/49/88/1196674988.db2.gz HOHCZTYHLOGPPR-GOSISDBHSA-N 1 2 398.467 0.854 10 0 GCAELO CCOC1CC(CNC(=O)N2CCSC[C@@H]2CCO)([NH+]2CCOCC2)C1 ZINC000446938154 1196684073 /nfs/dbraw/zinc/68/40/73/1196684073.db2.gz VKTIEYITAVAVEZ-HJOIGYKYSA-N 1 2 387.546 0.766 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC12COC2 ZINC000451144055 1196975049 /nfs/dbraw/zinc/97/50/49/1196975049.db2.gz XNAOLDBEPMIKBL-INIZCTEOSA-N 1 2 389.452 0.838 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC12COC2 ZINC000451144055 1196975052 /nfs/dbraw/zinc/97/50/52/1196975052.db2.gz XNAOLDBEPMIKBL-INIZCTEOSA-N 1 2 389.452 0.838 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC12COC2 ZINC000451138175 1196975080 /nfs/dbraw/zinc/97/50/80/1196975080.db2.gz QDFHZMZVOROSNP-NVXWUHKLSA-N 1 2 389.452 0.101 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC12COC2 ZINC000451138175 1196975082 /nfs/dbraw/zinc/97/50/82/1196975082.db2.gz QDFHZMZVOROSNP-NVXWUHKLSA-N 1 2 389.452 0.101 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1)C2 ZINC000530287379 1196975172 /nfs/dbraw/zinc/97/51/72/1196975172.db2.gz VPAPKBSNJUZZEG-CHWSQXEVSA-N 1 2 396.513 0.400 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1)CC2 ZINC000530287379 1196975173 /nfs/dbraw/zinc/97/51/73/1196975173.db2.gz VPAPKBSNJUZZEG-CHWSQXEVSA-N 1 2 396.513 0.400 10 0 GCAELO COc1cc(N2CCN(C(=O)C3CC[NH+](Cc4nccn4C)CC3)CC2)ncn1 ZINC000183837297 1197210511 /nfs/dbraw/zinc/21/05/11/1197210511.db2.gz HNLXWLULHVBWBV-UHFFFAOYSA-N 1 2 399.499 0.780 10 0 GCAELO C[C@@H](O)CN1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000189346357 1197236226 /nfs/dbraw/zinc/23/62/26/1197236226.db2.gz CDEUYGPYXPKNRF-GOSISDBHSA-N 1 2 382.549 0.136 10 0 GCAELO Cn1cc(N2CC[C@H](NC(=O)NC3CCN(c4cccc[nH+]4)CC3)C2=O)cn1 ZINC000117961041 1197338417 /nfs/dbraw/zinc/33/84/17/1197338417.db2.gz IAQPLLPZOMNLMS-INIZCTEOSA-N 1 2 383.456 0.889 10 0 GCAELO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000124225297 1197352400 /nfs/dbraw/zinc/35/24/00/1197352400.db2.gz GTJZACODCHELDO-UHFFFAOYSA-N 1 2 397.464 0.837 10 0 GCAELO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000124225297 1197352402 /nfs/dbraw/zinc/35/24/02/1197352402.db2.gz GTJZACODCHELDO-UHFFFAOYSA-N 1 2 397.464 0.837 10 0 GCAELO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000245779837 1197431392 /nfs/dbraw/zinc/43/13/92/1197431392.db2.gz QZFZGAMDEXGREV-YCPHGPKFSA-N 1 2 391.497 0.952 10 0 GCAELO CCn1c(N)c(C(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)c(=O)[nH]c1=O ZINC000067443533 1197468041 /nfs/dbraw/zinc/46/80/41/1197468041.db2.gz LDJKKXHPMVEEOQ-UHFFFAOYSA-N 1 2 397.439 0.244 10 0 GCAELO CCOC(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cn1C ZINC000261788202 1197514563 /nfs/dbraw/zinc/51/45/63/1197514563.db2.gz KSLMZLQPGVBGBY-INIZCTEOSA-N 1 2 378.454 0.932 10 0 GCAELO COC(=O)Cn1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)cn1 ZINC000261779676 1197514810 /nfs/dbraw/zinc/51/48/10/1197514810.db2.gz TUCAUIIPUOGLPJ-OAHLLOKOSA-N 1 2 394.453 0.400 10 0 GCAELO CN(C)C(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1 ZINC000261960320 1197520253 /nfs/dbraw/zinc/52/02/53/1197520253.db2.gz HGIUWGUCJRGZNE-OAHLLOKOSA-N 1 2 377.470 0.457 10 0 GCAELO COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cc1OC ZINC000262953465 1197539253 /nfs/dbraw/zinc/53/92/53/1197539253.db2.gz JXQIVXBFKQENSA-CYBMUJFWSA-N 1 2 383.395 0.985 10 0 GCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000263060445 1197541136 /nfs/dbraw/zinc/54/11/36/1197541136.db2.gz VJCMGWPLIUNWRY-LBPRGKRZSA-N 1 2 399.423 0.393 10 0 GCAELO O=C(N[C@H]1CCN(c2ccccc2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672530615 1199259419 /nfs/dbraw/zinc/25/94/19/1199259419.db2.gz PYPUWJLRMNDDJT-SJORKVTESA-N 1 2 381.436 0.968 10 0 GCAELO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000673291679 1199523115 /nfs/dbraw/zinc/52/31/15/1199523115.db2.gz XUZNPQCPLJXAIY-CQSZACIVSA-N 1 2 376.438 0.495 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000673484185 1199700885 /nfs/dbraw/zinc/70/08/85/1199700885.db2.gz OGALPYQDJCNPQG-WOCWXWTJSA-N 1 2 395.500 0.010 10 0 GCAELO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274437817 1199971490 /nfs/dbraw/zinc/97/14/90/1199971490.db2.gz RRXSPBZJMZQGDV-BEFAXECRSA-N 1 2 377.441 0.444 10 0 GCAELO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274437817 1199971493 /nfs/dbraw/zinc/97/14/93/1199971493.db2.gz RRXSPBZJMZQGDV-BEFAXECRSA-N 1 2 377.441 0.444 10 0 GCAELO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000675280224 1200369341 /nfs/dbraw/zinc/36/93/41/1200369341.db2.gz DUWKGVLCCAVMJY-QGZVFWFLSA-N 1 2 395.525 0.857 10 0 GCAELO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000470200329 1200920157 /nfs/dbraw/zinc/92/01/57/1200920157.db2.gz AFYHPWCETUDCPN-HNNXBMFYSA-N 1 2 381.498 0.892 10 0 GCAELO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000470200329 1200920158 /nfs/dbraw/zinc/92/01/58/1200920158.db2.gz AFYHPWCETUDCPN-HNNXBMFYSA-N 1 2 381.498 0.892 10 0 GCAELO CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000546815287 1200971640 /nfs/dbraw/zinc/97/16/40/1200971640.db2.gz IXSAMRGECNZLET-UHFFFAOYSA-N 1 2 389.481 0.964 10 0 GCAELO O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000543682316 1201097599 /nfs/dbraw/zinc/09/75/99/1201097599.db2.gz JTHQSLAOWQNXFD-GOSISDBHSA-N 1 2 395.525 0.621 10 0 GCAELO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)CC1 ZINC000611431251 1201238177 /nfs/dbraw/zinc/23/81/77/1201238177.db2.gz FCLBHLHIUBTPFU-AWEZNQCLSA-N 1 2 392.504 0.421 10 0 GCAELO CC[S@](=O)CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000735097014 1201676220 /nfs/dbraw/zinc/67/62/20/1201676220.db2.gz WLLMMYFDOYTOPC-SANMLTNESA-N 1 2 383.514 0.965 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000735197233 1201682719 /nfs/dbraw/zinc/68/27/19/1201682719.db2.gz CFHXDHNTISVDGW-SANMLTNESA-N 1 2 380.514 0.257 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000735197653 1201682967 /nfs/dbraw/zinc/68/29/67/1201682967.db2.gz GMVKANNKAVMMHF-RXBISOJRSA-N 1 2 381.498 0.903 10 0 GCAELO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000827748313 1201707325 /nfs/dbraw/zinc/70/73/25/1201707325.db2.gz QVWWETYTNNVDFD-UONOGXRCSA-N 1 2 395.510 0.797 10 0 GCAELO Cn1ncc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1C1CC1 ZINC000770755509 1202112236 /nfs/dbraw/zinc/11/22/36/1202112236.db2.gz FYPWEGULSIKYHU-ZBFHGGJFSA-N 1 2 375.473 0.996 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000805606847 1205540338 /nfs/dbraw/zinc/54/03/38/1205540338.db2.gz BLDSCVVGOARMGZ-SANMLTNESA-N 1 2 380.514 0.810 10 0 GCAELO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCc3ccn(C)n3)CC2)cc1 ZINC000805701630 1205542912 /nfs/dbraw/zinc/54/29/12/1205542912.db2.gz VHCLKGXDSHAYCK-UHFFFAOYSA-N 1 2 384.484 0.888 10 0 GCAELO CN(C[C@H]1CC=CCC1)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805376341 1205639708 /nfs/dbraw/zinc/63/97/08/1205639708.db2.gz UFJBHNBQGHKVRW-HNNXBMFYSA-N 1 2 385.530 0.426 10 0 GCAELO Cn1c[nH+]cc1CCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000773850671 1205821712 /nfs/dbraw/zinc/82/17/12/1205821712.db2.gz DCIKDZHDOQHDRM-AWEZNQCLSA-N 1 2 379.461 0.595 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C[C@H]21 ZINC000286475226 530150234 /nfs/dbraw/zinc/15/02/34/530150234.db2.gz SDPHEZVTNXGZAE-ZJUUUORDSA-N 1 2 379.891 0.594 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C[C@H]21 ZINC000286475226 530150237 /nfs/dbraw/zinc/15/02/37/530150237.db2.gz SDPHEZVTNXGZAE-ZJUUUORDSA-N 1 2 379.891 0.594 10 0 GCAELO O=S(=O)(c1ccc(N2CCCS2(=O)=O)cc1)N1CC[NH+](C2CC2)CC1 ZINC000328792462 530212535 /nfs/dbraw/zinc/21/25/35/530212535.db2.gz ZTPIMDTWWPRXIO-UHFFFAOYSA-N 1 2 385.511 0.695 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000124462004 530275904 /nfs/dbraw/zinc/27/59/04/530275904.db2.gz PUPGBINKENIICD-KBPBESRZSA-N 1 2 376.429 0.558 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000124462004 530275906 /nfs/dbraw/zinc/27/59/06/530275906.db2.gz PUPGBINKENIICD-KBPBESRZSA-N 1 2 376.429 0.558 10 0 GCAELO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000116892274 530266000 /nfs/dbraw/zinc/26/60/00/530266000.db2.gz LKUJHLQTBCULJD-LBPRGKRZSA-N 1 2 382.511 0.579 10 0 GCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000116892274 530266001 /nfs/dbraw/zinc/26/60/01/530266001.db2.gz LKUJHLQTBCULJD-LBPRGKRZSA-N 1 2 382.511 0.579 10 0 GCAELO O=S(=O)(Cc1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000155989756 530322339 /nfs/dbraw/zinc/32/23/39/530322339.db2.gz FLALFRRXWVPTIK-AWEZNQCLSA-N 1 2 393.303 0.562 10 0 GCAELO O=C(Nc1cccnc1Br)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000179783594 530367791 /nfs/dbraw/zinc/36/77/91/530367791.db2.gz ZLJZRKYEHLKSQJ-NSHDSACASA-N 1 2 383.246 0.716 10 0 GCAELO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000283036571 530376556 /nfs/dbraw/zinc/37/65/56/530376556.db2.gz GKXZWDYRYFHFHP-QWHCGFSZSA-N 1 2 388.511 0.956 10 0 GCAELO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000283036571 530376559 /nfs/dbraw/zinc/37/65/59/530376559.db2.gz GKXZWDYRYFHFHP-QWHCGFSZSA-N 1 2 388.511 0.956 10 0 GCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1C ZINC000193277092 530392687 /nfs/dbraw/zinc/39/26/87/530392687.db2.gz CXMIGNSCXJLJTG-NSHDSACASA-N 1 2 385.262 0.962 10 0 GCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1C ZINC000193277092 530392688 /nfs/dbraw/zinc/39/26/88/530392688.db2.gz CXMIGNSCXJLJTG-NSHDSACASA-N 1 2 385.262 0.962 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC[N@@H+]1CCO ZINC000408366934 530509393 /nfs/dbraw/zinc/50/93/93/530509393.db2.gz PTTVFTZAEOYPOK-LLVKDONJSA-N 1 2 376.862 0.798 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC[N@H+]1CCO ZINC000408366934 530509394 /nfs/dbraw/zinc/50/93/94/530509394.db2.gz PTTVFTZAEOYPOK-LLVKDONJSA-N 1 2 376.862 0.798 10 0 GCAELO CCOC(=O)CN(C)C(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000171917226 530598438 /nfs/dbraw/zinc/59/84/38/530598438.db2.gz UXQJGIUAZQXUBE-UHFFFAOYSA-N 1 2 399.289 0.988 10 0 GCAELO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000114234962 530586445 /nfs/dbraw/zinc/58/64/45/530586445.db2.gz YTXQDMVJSAOUFN-UHFFFAOYSA-N 1 2 382.258 0.958 10 0 GCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)CC1 ZINC000330177617 530628299 /nfs/dbraw/zinc/62/82/99/530628299.db2.gz DBQSNQYKWPHUNO-IRXDYDNUSA-N 1 2 375.535 0.496 10 0 GCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)CC1 ZINC000330201231 530628965 /nfs/dbraw/zinc/62/89/65/530628965.db2.gz XLIIEADBXSOTTP-IAGOWNOFSA-N 1 2 375.535 0.496 10 0 GCAELO NS(=O)(=O)c1cnc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)s1 ZINC000301653295 530680391 /nfs/dbraw/zinc/68/03/91/530680391.db2.gz RDIRYMUHPUPEAZ-KBPBESRZSA-N 1 2 380.495 0.880 10 0 GCAELO NS(=O)(=O)c1cnc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)s1 ZINC000301653295 530680393 /nfs/dbraw/zinc/68/03/93/530680393.db2.gz RDIRYMUHPUPEAZ-KBPBESRZSA-N 1 2 380.495 0.880 10 0 GCAELO C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000333306221 530657238 /nfs/dbraw/zinc/65/72/38/530657238.db2.gz IHWAQSYKPZPLME-OAGGEKHMSA-N 1 2 375.535 0.964 10 0 GCAELO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000465505207 530667165 /nfs/dbraw/zinc/66/71/65/530667165.db2.gz ULXQIHZKJGLHJO-UHFFFAOYSA-N 1 2 384.483 0.886 10 0 GCAELO NS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000671243775 530674166 /nfs/dbraw/zinc/67/41/66/530674166.db2.gz YBFUFPACHBWHEL-AWEZNQCLSA-N 1 2 387.527 0.281 10 0 GCAELO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)ncc1Br ZINC000192919982 530677538 /nfs/dbraw/zinc/67/75/38/530677538.db2.gz VPKUMAJNTFPXDP-NSHDSACASA-N 1 2 385.262 0.928 10 0 GCAELO Brc1ccccc1-n1nnnc1Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641026948 530697313 /nfs/dbraw/zinc/69/73/13/530697313.db2.gz KHBORIWISUFJFM-LBPRGKRZSA-N 1 2 391.233 0.726 10 0 GCAELO Brc1ccccc1-n1nnnc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371828904 530759093 /nfs/dbraw/zinc/75/90/93/530759093.db2.gz NVDWOOAIXJYBLC-GFCCVEGCSA-N 1 2 379.262 0.941 10 0 GCAELO Brc1ccccc1-n1nnnc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371828904 530759096 /nfs/dbraw/zinc/75/90/96/530759096.db2.gz NVDWOOAIXJYBLC-GFCCVEGCSA-N 1 2 379.262 0.941 10 0 GCAELO Cn1cnc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1Cl ZINC000121316956 530775883 /nfs/dbraw/zinc/77/58/83/530775883.db2.gz MYRQBRLRFQUTLT-ZIAGYGMSSA-N 1 2 384.889 0.987 10 0 GCAELO Cn1cnc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1Cl ZINC000121316956 530775887 /nfs/dbraw/zinc/77/58/87/530775887.db2.gz MYRQBRLRFQUTLT-ZIAGYGMSSA-N 1 2 384.889 0.987 10 0 GCAELO CC1(C)C[N@H+](CCNC(=O)N2CCC(CNS(C)(=O)=O)CC2)CCO1 ZINC000490124574 530827191 /nfs/dbraw/zinc/82/71/91/530827191.db2.gz KQWLEALSTVIBRF-UHFFFAOYSA-N 1 2 376.523 0.068 10 0 GCAELO CC1(C)C[N@@H+](CCNC(=O)N2CCC(CNS(C)(=O)=O)CC2)CCO1 ZINC000490124574 530827193 /nfs/dbraw/zinc/82/71/93/530827193.db2.gz KQWLEALSTVIBRF-UHFFFAOYSA-N 1 2 376.523 0.068 10 0 GCAELO Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cnc1Br ZINC000182846261 530854403 /nfs/dbraw/zinc/85/44/03/530854403.db2.gz VYLGMLRIHVCJEE-LBPRGKRZSA-N 1 2 382.262 0.207 10 0 GCAELO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000187241767 530864097 /nfs/dbraw/zinc/86/40/97/530864097.db2.gz DQJWNWYABAAMNP-LLVKDONJSA-N 1 2 399.264 0.951 10 0 GCAELO C[C@H]([C@H](C)NC(=O)N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000493936688 530840554 /nfs/dbraw/zinc/84/05/54/530840554.db2.gz ZAESKJJNRVLULZ-UONOGXRCSA-N 1 2 376.523 0.066 10 0 GCAELO Cc1nc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1Br ZINC000193914160 530841230 /nfs/dbraw/zinc/84/12/30/530841230.db2.gz YQOYIMUTUKNMEK-SNVBAGLBSA-N 1 2 385.262 0.616 10 0 GCAELO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1Br ZINC000193914160 530841233 /nfs/dbraw/zinc/84/12/33/530841233.db2.gz YQOYIMUTUKNMEK-SNVBAGLBSA-N 1 2 385.262 0.616 10 0 GCAELO Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)ncc1Br ZINC000193609790 530949638 /nfs/dbraw/zinc/94/96/38/530949638.db2.gz QURVBUAJMMJFJD-NSHDSACASA-N 1 2 382.262 0.207 10 0 GCAELO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000262295701 530975115 /nfs/dbraw/zinc/97/51/15/530975115.db2.gz PBHFFZLUXGAIQU-JSGCOSHPSA-N 1 2 381.479 0.859 10 0 GCAELO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262693038 530998660 /nfs/dbraw/zinc/99/86/60/530998660.db2.gz ASCYPUVHKXSPDF-NSHDSACASA-N 1 2 395.453 0.382 10 0 GCAELO O=S(=O)(C1CCS(=O)(=O)CC1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261611614 530989368 /nfs/dbraw/zinc/98/93/68/530989368.db2.gz ABNVDBLORTXCSG-HNNXBMFYSA-N 1 2 376.475 0.679 10 0 GCAELO O=S(=O)(C1CCS(=O)(=O)CC1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261611618 530989571 /nfs/dbraw/zinc/98/95/71/530989571.db2.gz ABNVDBLORTXCSG-OAHLLOKOSA-N 1 2 376.475 0.679 10 0 GCAELO Cn1nccc1S(=O)(=O)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000539551154 531042761 /nfs/dbraw/zinc/04/27/61/531042761.db2.gz CLRLNUFOIYRZGK-UHFFFAOYSA-N 1 2 387.487 0.061 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@H]21 ZINC000333633589 531056217 /nfs/dbraw/zinc/05/62/17/531056217.db2.gz HUIIUDOSWBDNSM-GHMZBOCLSA-N 1 2 381.234 1.039 10 0 GCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@H]21 ZINC000333633589 531056221 /nfs/dbraw/zinc/05/62/21/531056221.db2.gz HUIIUDOSWBDNSM-GHMZBOCLSA-N 1 2 381.234 1.039 10 0 GCAELO Cc1nc(N2CCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)cc[nH+]1 ZINC000545403869 531086099 /nfs/dbraw/zinc/08/60/99/531086099.db2.gz QEEDPKIIKZGNCW-UHFFFAOYSA-N 1 2 381.483 0.385 10 0 GCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncc(I)cn1 ZINC000547328697 531096918 /nfs/dbraw/zinc/09/69/18/531096918.db2.gz PPARJLHFFVZENS-LLVKDONJSA-N 1 2 378.214 0.211 10 0 GCAELO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)s1 ZINC000676846125 531140888 /nfs/dbraw/zinc/14/08/88/531140888.db2.gz MKNSKKVRRPOSBV-LBPRGKRZSA-N 1 2 375.516 0.634 10 0 GCAELO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)s1 ZINC000676846125 531140889 /nfs/dbraw/zinc/14/08/89/531140889.db2.gz MKNSKKVRRPOSBV-LBPRGKRZSA-N 1 2 375.516 0.634 10 0 GCAELO CC[NH+]1CCN(C2=NCCN2S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000064929833 570595770 /nfs/dbraw/zinc/59/57/70/570595770.db2.gz IPMTXOQCCFWLLC-UHFFFAOYSA-N 1 2 382.486 0.702 10 0 GCAELO O[C@@H](CN1CCO[C@H](COc2ccc3c(c2)OCO3)C1)C[NH+]1CCOCC1 ZINC000096280494 570613654 /nfs/dbraw/zinc/61/36/54/570613654.db2.gz UFXFRSIXNHCPTQ-WBVHZDCISA-N 1 2 380.441 0.188 10 0 GCAELO O[C@H](CN1CCOCC1)C[N@@H+]1CCO[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000096280494 570613659 /nfs/dbraw/zinc/61/36/59/570613659.db2.gz UFXFRSIXNHCPTQ-WBVHZDCISA-N 1 2 380.441 0.188 10 0 GCAELO O[C@H](CN1CCOCC1)C[N@H+]1CCO[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000096280494 570613665 /nfs/dbraw/zinc/61/36/65/570613665.db2.gz UFXFRSIXNHCPTQ-WBVHZDCISA-N 1 2 380.441 0.188 10 0 GCAELO C[C@H]([NH2+]Cc1ccn(C)n1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773131940 640857313 /nfs/dbraw/zinc/85/73/13/640857313.db2.gz MTFWAALQZVOZNX-LBPRGKRZSA-N 1 2 386.499 0.997 10 0 GCAELO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000636890840 1192335080 /nfs/dbraw/zinc/33/50/80/1192335080.db2.gz BQGFEOKKGYTERG-INIZCTEOSA-N 1 2 396.532 0.509 10 0 GCAELO CC(=O)CCCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000549704055 1192852534 /nfs/dbraw/zinc/85/25/34/1192852534.db2.gz KIGYZVBXPMQRNM-INIZCTEOSA-N 1 2 389.500 0.709 10 0 GCAELO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)Cc2ccoc2)CC3)CC1 ZINC000683123640 1184142976 /nfs/dbraw/zinc/14/29/76/1184142976.db2.gz AIPGDSCRTYWQHM-OAHLLOKOSA-N 1 2 385.468 0.785 10 0 GCAELO Cc1ncccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000683125449 1184144189 /nfs/dbraw/zinc/14/41/89/1184144189.db2.gz YKASIFGYFRUJSY-INIZCTEOSA-N 1 2 396.495 0.967 10 0 GCAELO O=C(NCCCO[C@H]1CCOC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000579861600 1184383904 /nfs/dbraw/zinc/38/39/04/1184383904.db2.gz ZRKWHHVGGLKBAH-SFHVURJKSA-N 1 2 386.452 0.859 10 0 GCAELO Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cc21 ZINC000683863864 1185155435 /nfs/dbraw/zinc/15/54/35/1185155435.db2.gz UPZMHICPHNGMOQ-KRWDZBQOSA-N 1 2 398.463 0.800 10 0 GCAELO Cn1c(=O)ccc2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc21 ZINC000581344767 1185604754 /nfs/dbraw/zinc/60/47/54/1185604754.db2.gz GTCCEDVHQNKDGN-INIZCTEOSA-N 1 2 398.463 0.658 10 0 GCAELO O=C(N[C@@H]1CCOC2(CCC2)C1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000581514876 1185735134 /nfs/dbraw/zinc/73/51/34/1185735134.db2.gz MXKFGGPBTUWPEU-IAGOWNOFSA-N 1 2 379.501 0.918 10 0 GCAELO CC(=O)N(C)CC(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000051052976 1185745268 /nfs/dbraw/zinc/74/52/68/1185745268.db2.gz HGOUPIUEWNBMEI-UHFFFAOYSA-N 1 2 391.472 0.579 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC(C)(F)C2)CC1 ZINC000684306033 1185756939 /nfs/dbraw/zinc/75/69/39/1185756939.db2.gz UFUBSFDZSUYPBO-UHFFFAOYSA-N 1 2 376.432 0.860 10 0 GCAELO C[C@H]([C@H](C)NC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1)[NH+]1CCOCC1 ZINC000276681788 1185960802 /nfs/dbraw/zinc/96/08/02/1185960802.db2.gz ZTZILVWHTVREMC-BBWFWOEESA-N 1 2 376.505 0.802 10 0 GCAELO CO[C@@H]1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000472146001 1186388698 /nfs/dbraw/zinc/38/86/98/1186388698.db2.gz PHGRXDZTMXJZNT-JKSUJKDBSA-N 1 2 390.488 0.712 10 0 GCAELO CO[C@@H]1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000472146001 1186388706 /nfs/dbraw/zinc/38/87/06/1186388706.db2.gz PHGRXDZTMXJZNT-JKSUJKDBSA-N 1 2 390.488 0.712 10 0 GCAELO CN(C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1)S(C)(=O)=O ZINC000511095485 1186481615 /nfs/dbraw/zinc/48/16/15/1186481615.db2.gz KFXRPVPBFBSCBN-ZDUSSCGKSA-N 1 2 383.470 0.957 10 0 GCAELO CN(C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1)S(C)(=O)=O ZINC000511095485 1186481616 /nfs/dbraw/zinc/48/16/16/1186481616.db2.gz KFXRPVPBFBSCBN-ZDUSSCGKSA-N 1 2 383.470 0.957 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152407671 1186503628 /nfs/dbraw/zinc/50/36/28/1186503628.db2.gz VIXABXVOGHUONJ-DOMZBBRYSA-N 1 2 380.811 0.731 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152407671 1186503630 /nfs/dbraw/zinc/50/36/30/1186503630.db2.gz VIXABXVOGHUONJ-DOMZBBRYSA-N 1 2 380.811 0.731 10 0 GCAELO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000559888138 1186503634 /nfs/dbraw/zinc/50/36/34/1186503634.db2.gz ZMJYUIPIKDTWNQ-QGZVFWFLSA-N 1 2 399.495 0.727 10 0 GCAELO O=C(c1cccc(C(=O)N2CC[NH+](C3CC3)CC2)n1)N1CCN(C2CC2)CC1 ZINC000127717352 1186544375 /nfs/dbraw/zinc/54/43/75/1186544375.db2.gz GUUVTOTVCGHSLU-UHFFFAOYSA-N 1 2 383.496 0.922 10 0 GCAELO Cn1nccc1CCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000125743519 1186821443 /nfs/dbraw/zinc/82/14/43/1186821443.db2.gz ATNLFQZZMIUYCR-UHFFFAOYSA-N 1 2 385.472 0.328 10 0 GCAELO Cn1nccc1CCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000125743519 1186821449 /nfs/dbraw/zinc/82/14/49/1186821449.db2.gz ATNLFQZZMIUYCR-UHFFFAOYSA-N 1 2 385.472 0.328 10 0 GCAELO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000685358502 1187115450 /nfs/dbraw/zinc/11/54/50/1187115450.db2.gz IDYXLRLFCOWTKM-VIYLOZMYSA-N 1 2 382.468 0.985 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000685408071 1187125017 /nfs/dbraw/zinc/12/50/17/1187125017.db2.gz UMOTVIIBUONJBO-CWQOZTLDSA-N 1 2 391.512 0.629 10 0 GCAELO Cc1cc(N2CCC[C@@H]([NH+]3CCN(c4ncnc5nc[nH]c54)CC3)C2=O)n(C)n1 ZINC000472475591 1187623474 /nfs/dbraw/zinc/62/34/74/1187623474.db2.gz GYKIQVPNDFIULS-CQSZACIVSA-N 1 2 395.471 0.712 10 0 GCAELO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)CCc2nnc[nH]2)cc[nH+]1 ZINC000328655018 1188126438 /nfs/dbraw/zinc/12/64/38/1188126438.db2.gz XYPVHCQTEIEWNF-STQMWFEESA-N 1 2 376.440 0.669 10 0 GCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511569354 1189552757 /nfs/dbraw/zinc/55/27/57/1189552757.db2.gz ABXJPSWEDYRNBC-SJORKVTESA-N 1 2 390.484 0.686 10 0 GCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511569354 1189552763 /nfs/dbraw/zinc/55/27/63/1189552763.db2.gz ABXJPSWEDYRNBC-SJORKVTESA-N 1 2 390.484 0.686 10 0 GCAELO CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)cc21 ZINC000416667785 1189568166 /nfs/dbraw/zinc/56/81/66/1189568166.db2.gz PYJBTRSZXVJWDO-KBPBESRZSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)cc21 ZINC000416667785 1189568172 /nfs/dbraw/zinc/56/81/72/1189568172.db2.gz PYJBTRSZXVJWDO-KBPBESRZSA-N 1 2 381.498 0.671 10 0 GCAELO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000408112514 1189908321 /nfs/dbraw/zinc/90/83/21/1189908321.db2.gz NVHFLHUKOYTODA-SJORKVTESA-N 1 2 387.546 0.902 10 0 GCAELO O=S(=O)(c1cnn(C2CCOCC2)c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261893341 1194793577 /nfs/dbraw/zinc/79/35/77/1194793577.db2.gz VSVVWXFULHEQDX-KRWDZBQOSA-N 1 2 377.470 0.965 10 0 GCAELO CS(=O)(=O)NCC1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000504439463 1194794333 /nfs/dbraw/zinc/79/43/33/1194794333.db2.gz WSSQGDJYTHCPQN-HNNXBMFYSA-N 1 2 383.445 0.719 10 0 GCAELO CNS(=O)(=O)N1CCC(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000505223784 1194830971 /nfs/dbraw/zinc/83/09/71/1194830971.db2.gz LBBCTROSNLRBHJ-UHFFFAOYSA-N 1 2 391.497 0.724 10 0 GCAELO C[C@@H](C[NH+]1CCOCC1)N(C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000434712842 1194861389 /nfs/dbraw/zinc/86/13/89/1194861389.db2.gz DUDOGVWCAVWGLI-ZDUSSCGKSA-N 1 2 387.477 0.820 10 0 GCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435047682 1194885051 /nfs/dbraw/zinc/88/50/51/1194885051.db2.gz CCDTXHRIWKUJNR-AWEZNQCLSA-N 1 2 394.472 0.596 10 0 GCAELO Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)n12 ZINC000284908374 1194971474 /nfs/dbraw/zinc/97/14/74/1194971474.db2.gz VDYJSNFEBSCHIF-SJORKVTESA-N 1 2 382.468 0.795 10 0 GCAELO Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)n12 ZINC000284908374 1194971476 /nfs/dbraw/zinc/97/14/76/1194971476.db2.gz VDYJSNFEBSCHIF-SJORKVTESA-N 1 2 382.468 0.795 10 0 GCAELO C1OCC12CCN(c1nc(N3CCOCC3)nc(N3CCC4(COC4)C3)[nH+]1)C2 ZINC000664571325 1195018438 /nfs/dbraw/zinc/01/84/38/1195018438.db2.gz YPZSHWWFALOPPB-UHFFFAOYSA-N 1 2 388.472 0.162 10 0 GCAELO C1OCC12CCN(c1nc(N3CCC4(COC4)C3)[nH+]c(N3CCOCC3)n1)C2 ZINC000664571325 1195018442 /nfs/dbraw/zinc/01/84/42/1195018442.db2.gz YPZSHWWFALOPPB-UHFFFAOYSA-N 1 2 388.472 0.162 10 0 GCAELO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1C ZINC000437029618 1195059714 /nfs/dbraw/zinc/05/97/14/1195059714.db2.gz ARVPUAHVLWVPIF-MRXNPFEDSA-N 1 2 380.514 0.040 10 0 GCAELO Cc1sc2ncn(CCC(=O)NC[C@@H]3C[NH+]4CCN3CC4)c(=O)c2c1C ZINC000437343531 1195101461 /nfs/dbraw/zinc/10/14/61/1195101461.db2.gz GMDQLDOULBJDMW-CQSZACIVSA-N 1 2 375.498 0.581 10 0 GCAELO COC[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000437396925 1195105856 /nfs/dbraw/zinc/10/58/56/1195105856.db2.gz YHKNEUUJUGIGFF-WMZOPIPTSA-N 1 2 393.459 0.810 10 0 GCAELO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000517974099 1195233656 /nfs/dbraw/zinc/23/36/56/1195233656.db2.gz VCFXJOPYEJEIBO-AWEZNQCLSA-N 1 2 392.481 0.439 10 0 GCAELO Cc1ccc2[nH]c(CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)nc2c1 ZINC000550277665 1195476469 /nfs/dbraw/zinc/47/64/69/1195476469.db2.gz CEUBRZSDXQSLNP-QGZVFWFLSA-N 1 2 387.484 0.961 10 0 GCAELO CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)ccc21 ZINC000427434512 1195539789 /nfs/dbraw/zinc/53/97/89/1195539789.db2.gz IHBNXKJUHAAFID-CQSZACIVSA-N 1 2 388.468 0.449 10 0 GCAELO CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)ccc21 ZINC000427434512 1195539791 /nfs/dbraw/zinc/53/97/91/1195539791.db2.gz IHBNXKJUHAAFID-CQSZACIVSA-N 1 2 388.468 0.449 10 0 GCAELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCSC[C@H]1CCO ZINC000550303778 1195554946 /nfs/dbraw/zinc/55/49/46/1195554946.db2.gz LJXZYFVJRKRHPN-OAHLLOKOSA-N 1 2 378.498 0.624 10 0 GCAELO COc1c(F)cc(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1S(N)(=O)=O ZINC000473885820 1195570796 /nfs/dbraw/zinc/57/07/96/1195570796.db2.gz KZUPUKIBDJLVOM-NSHDSACASA-N 1 2 384.433 0.673 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000519860531 1195576674 /nfs/dbraw/zinc/57/66/74/1195576674.db2.gz WDZPNUHCZMKHCF-DRRXZNNHSA-N 1 2 379.501 0.485 10 0 GCAELO CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[NH+](C4CC4)CC3)cc(C3CC3)nc21 ZINC000124757626 1195686154 /nfs/dbraw/zinc/68/61/54/1195686154.db2.gz BWWMFQIYVNNLLO-UHFFFAOYSA-N 1 2 383.452 0.902 10 0 GCAELO C[C@@H]1CN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC[N@@H+]1CCO ZINC000188820429 1195739010 /nfs/dbraw/zinc/73/90/10/1195739010.db2.gz SYKFNDYVUFUMHC-LLVKDONJSA-N 1 2 384.362 0.820 10 0 GCAELO C[C@@H]1CN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC[N@H+]1CCO ZINC000188820429 1195739013 /nfs/dbraw/zinc/73/90/13/1195739013.db2.gz SYKFNDYVUFUMHC-LLVKDONJSA-N 1 2 384.362 0.820 10 0 GCAELO Cn1ncc2c1ncn(CC(=O)NC[C@H]1C[N@H+](Cc3ccccc3)CCO1)c2=O ZINC000248035263 1195740612 /nfs/dbraw/zinc/74/06/12/1195740612.db2.gz MMPUDFHHIUHPNZ-INIZCTEOSA-N 1 2 396.451 0.147 10 0 GCAELO Cn1ncc2c1ncn(CC(=O)NC[C@H]1C[N@@H+](Cc3ccccc3)CCO1)c2=O ZINC000248035263 1195740614 /nfs/dbraw/zinc/74/06/14/1195740614.db2.gz MMPUDFHHIUHPNZ-INIZCTEOSA-N 1 2 396.451 0.147 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)n(-c2ccccc2F)n1 ZINC000190034612 1195755593 /nfs/dbraw/zinc/75/55/93/1195755593.db2.gz RVLUWGUNWJBIGO-CQSZACIVSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n(-c2ccccc2F)n1 ZINC000190034612 1195755597 /nfs/dbraw/zinc/75/55/97/1195755597.db2.gz RVLUWGUNWJBIGO-CQSZACIVSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)s1 ZINC000190042838 1195755618 /nfs/dbraw/zinc/75/56/18/1195755618.db2.gz NQQGYYBGYCAFHI-ZDUSSCGKSA-N 1 2 391.497 0.765 10 0 GCAELO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)s1 ZINC000190042838 1195755622 /nfs/dbraw/zinc/75/56/22/1195755622.db2.gz NQQGYYBGYCAFHI-ZDUSSCGKSA-N 1 2 391.497 0.765 10 0 GCAELO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000190033374 1195755871 /nfs/dbraw/zinc/75/58/71/1195755871.db2.gz LIZSLOIWRKYLOT-MRXNPFEDSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000190033374 1195755873 /nfs/dbraw/zinc/75/58/73/1195755873.db2.gz LIZSLOIWRKYLOT-MRXNPFEDSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)s1 ZINC000190042806 1195755950 /nfs/dbraw/zinc/75/59/50/1195755950.db2.gz NQQGYYBGYCAFHI-CYBMUJFWSA-N 1 2 391.497 0.765 10 0 GCAELO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)s1 ZINC000190042806 1195755954 /nfs/dbraw/zinc/75/59/54/1195755954.db2.gz NQQGYYBGYCAFHI-CYBMUJFWSA-N 1 2 391.497 0.765 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)CC[N@@H+]1CCO ZINC000190040404 1195755996 /nfs/dbraw/zinc/75/59/96/1195755996.db2.gz QXGYGOMDJDZOSD-CYBMUJFWSA-N 1 2 375.404 0.475 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)CC[N@H+]1CCO ZINC000190040404 1195755999 /nfs/dbraw/zinc/75/59/99/1195755999.db2.gz QXGYGOMDJDZOSD-CYBMUJFWSA-N 1 2 375.404 0.475 10 0 GCAELO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000190033396 1195756069 /nfs/dbraw/zinc/75/60/69/1195756069.db2.gz LIZSLOIWRKYLOT-INIZCTEOSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000190033396 1195756072 /nfs/dbraw/zinc/75/60/72/1195756072.db2.gz LIZSLOIWRKYLOT-INIZCTEOSA-N 1 2 385.468 0.953 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CCCO)cc2)CC1 ZINC000443270493 1196033328 /nfs/dbraw/zinc/03/33/28/1196033328.db2.gz NIVHAEGDAXPBJN-UHFFFAOYSA-N 1 2 376.457 0.130 10 0 GCAELO NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000443492664 1196061448 /nfs/dbraw/zinc/06/14/48/1196061448.db2.gz PEICBBRWPRLVCE-INIZCTEOSA-N 1 2 377.470 0.894 10 0 GCAELO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000329219937 1196177843 /nfs/dbraw/zinc/17/78/43/1196177843.db2.gz AEIXYIZAPSEYIW-IRXDYDNUSA-N 1 2 387.546 0.761 10 0 GCAELO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329410370 1196193459 /nfs/dbraw/zinc/19/34/59/1196193459.db2.gz DRPVEJUCRRGWNK-OALUTQOASA-N 1 2 393.528 0.975 10 0 GCAELO Cc1nc(N2CCN(C(=O)Cc3c(C)[nH]c4nn(C)c(=O)c-4c3C)CC2)cc[nH+]1 ZINC000760093856 1196248547 /nfs/dbraw/zinc/24/85/47/1196248547.db2.gz BQSMEVMBDAMJFY-UHFFFAOYSA-N 1 2 395.467 0.868 10 0 GCAELO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CN1CCOCC1=O ZINC000281194928 1196283378 /nfs/dbraw/zinc/28/33/78/1196283378.db2.gz LRCDUEHIGIMECY-KBPBESRZSA-N 1 2 384.477 0.681 10 0 GCAELO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CN1CCOCC1=O ZINC000281194928 1196283380 /nfs/dbraw/zinc/28/33/80/1196283380.db2.gz LRCDUEHIGIMECY-KBPBESRZSA-N 1 2 384.477 0.681 10 0 GCAELO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000281248942 1196284632 /nfs/dbraw/zinc/28/46/32/1196284632.db2.gz POVZNWUPFYBMKX-RYUDHWBXSA-N 1 2 395.460 0.935 10 0 GCAELO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000281248942 1196284635 /nfs/dbraw/zinc/28/46/35/1196284635.db2.gz POVZNWUPFYBMKX-RYUDHWBXSA-N 1 2 395.460 0.935 10 0 GCAELO Cc1nc(N2CCN(C(=O)C(=O)Nc3c[nH]nc3-c3nccs3)CC2)cc[nH+]1 ZINC000447008246 1196688148 /nfs/dbraw/zinc/68/81/48/1196688148.db2.gz SWAWMGGJWOMTPW-UHFFFAOYSA-N 1 2 398.452 0.919 10 0 GCAELO CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000760128862 1196784137 /nfs/dbraw/zinc/78/41/37/1196784137.db2.gz LTLDNVWRCVUVMS-AWEZNQCLSA-N 1 2 396.517 0.758 10 0 GCAELO CCNc1nc(NC(C)(C)C)nc(N2C[C@H](C(=O)OCC)C3(COC3)C2)[nH+]1 ZINC000450569046 1196940060 /nfs/dbraw/zinc/94/00/60/1196940060.db2.gz NPHZJIAZEHSBAQ-GFCCVEGCSA-N 1 2 378.477 0.952 10 0 GCAELO CCOC(=O)[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC12COC2 ZINC000450572824 1196941104 /nfs/dbraw/zinc/94/11/04/1196941104.db2.gz VLSCKNDTEKIUFX-GJZGRUSLSA-N 1 2 376.457 0.844 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCO[C@H](c3cccc(O)c3)C1)c(=O)n2C ZINC000121571135 1196969113 /nfs/dbraw/zinc/96/91/13/1196969113.db2.gz ANYLWHJPHGWQGP-INIZCTEOSA-N 1 2 399.451 0.603 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCO[C@H](c3cccc(O)c3)C1)c(=O)n2C ZINC000121571135 1196969115 /nfs/dbraw/zinc/96/91/15/1196969115.db2.gz ANYLWHJPHGWQGP-INIZCTEOSA-N 1 2 399.451 0.603 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(=O)OC)CC12COC2 ZINC000451140052 1196973036 /nfs/dbraw/zinc/97/30/36/1196973036.db2.gz SZXSFGKSWPENQJ-AWEZNQCLSA-N 1 2 376.409 0.923 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(=O)OC)CC12COC2 ZINC000451140052 1196973039 /nfs/dbraw/zinc/97/30/39/1196973039.db2.gz SZXSFGKSWPENQJ-AWEZNQCLSA-N 1 2 376.409 0.923 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@H](Cc2ccccc2)C(C)=O)CC12COC2 ZINC000451129263 1196973871 /nfs/dbraw/zinc/97/38/71/1196973871.db2.gz ZIWMJNRKDSNCII-ZWKOTPCHSA-N 1 2 388.464 0.814 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@H](Cc2ccccc2)C(C)=O)CC12COC2 ZINC000451129263 1196973875 /nfs/dbraw/zinc/97/38/75/1196973875.db2.gz ZIWMJNRKDSNCII-ZWKOTPCHSA-N 1 2 388.464 0.814 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC12COC2 ZINC000451129260 1196974005 /nfs/dbraw/zinc/97/40/05/1196974005.db2.gz ZIWMJNRKDSNCII-MSOLQXFVSA-N 1 2 388.464 0.814 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC12COC2 ZINC000451129260 1196974008 /nfs/dbraw/zinc/97/40/08/1196974008.db2.gz ZIWMJNRKDSNCII-MSOLQXFVSA-N 1 2 388.464 0.814 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@H](Cc2ccccc2)C(C)=O)CC12COC2 ZINC000451129261 1196974229 /nfs/dbraw/zinc/97/42/29/1196974229.db2.gz ZIWMJNRKDSNCII-QZTJIDSGSA-N 1 2 388.464 0.814 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@H](Cc2ccccc2)C(C)=O)CC12COC2 ZINC000451129261 1196974231 /nfs/dbraw/zinc/97/42/31/1196974231.db2.gz ZIWMJNRKDSNCII-QZTJIDSGSA-N 1 2 388.464 0.814 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451137280 1196975110 /nfs/dbraw/zinc/97/51/10/1196975110.db2.gz OQYYPHXFHVEGNX-HUUCEWRRSA-N 1 2 381.473 0.015 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451137280 1196975113 /nfs/dbraw/zinc/97/51/13/1196975113.db2.gz OQYYPHXFHVEGNX-HUUCEWRRSA-N 1 2 381.473 0.015 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451137281 1196975226 /nfs/dbraw/zinc/97/52/26/1196975226.db2.gz OQYYPHXFHVEGNX-LSDHHAIUSA-N 1 2 381.473 0.015 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451137281 1196975229 /nfs/dbraw/zinc/97/52/29/1196975229.db2.gz OQYYPHXFHVEGNX-LSDHHAIUSA-N 1 2 381.473 0.015 10 0 GCAELO O=C(CN1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1)N1CCCC1 ZINC000122463614 1197037081 /nfs/dbraw/zinc/03/70/81/1197037081.db2.gz HCJWWDQOJQORJS-RBUKOAKNSA-N 1 2 392.544 0.787 10 0 GCAELO O=C(CN1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1)N1CCCC1 ZINC000122463614 1197037086 /nfs/dbraw/zinc/03/70/86/1197037086.db2.gz HCJWWDQOJQORJS-RBUKOAKNSA-N 1 2 392.544 0.787 10 0 GCAELO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000531399462 1197073599 /nfs/dbraw/zinc/07/35/99/1197073599.db2.gz OBZDEEILFMQUST-UHFFFAOYSA-N 1 2 390.484 0.642 10 0 GCAELO CS(=O)(=O)N1CCN(CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000532103397 1197114219 /nfs/dbraw/zinc/11/42/19/1197114219.db2.gz ONIJVVMBXLUKMJ-UHFFFAOYSA-N 1 2 391.497 0.125 10 0 GCAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NCC(=O)N1CCOCC1 ZINC000190810561 1197158869 /nfs/dbraw/zinc/15/88/69/1197158869.db2.gz HLXGLTCJOKADTQ-UHFFFAOYSA-N 1 2 380.876 0.856 10 0 GCAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NCC(=O)N1CCOCC1 ZINC000190810561 1197158873 /nfs/dbraw/zinc/15/88/73/1197158873.db2.gz HLXGLTCJOKADTQ-UHFFFAOYSA-N 1 2 380.876 0.856 10 0 GCAELO O=C(CN1CCN(c2ccccn2)CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000174711895 1197181992 /nfs/dbraw/zinc/18/19/92/1197181992.db2.gz IJTMIKQXMVFQMA-LJQANCHMSA-N 1 2 387.528 0.917 10 0 GCAELO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000174783371 1197182505 /nfs/dbraw/zinc/18/25/05/1197182505.db2.gz IMOLLUWPDPOZTB-SECBINFHSA-N 1 2 379.367 0.318 10 0 GCAELO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000174783371 1197182507 /nfs/dbraw/zinc/18/25/07/1197182507.db2.gz IMOLLUWPDPOZTB-SECBINFHSA-N 1 2 379.367 0.318 10 0 GCAELO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000174783360 1197182698 /nfs/dbraw/zinc/18/26/98/1197182698.db2.gz IMOLLUWPDPOZTB-VIFPVBQESA-N 1 2 379.367 0.318 10 0 GCAELO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000174783360 1197182700 /nfs/dbraw/zinc/18/27/00/1197182700.db2.gz IMOLLUWPDPOZTB-VIFPVBQESA-N 1 2 379.367 0.318 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)nn1-c1cccc(F)c1 ZINC000187542863 1197231361 /nfs/dbraw/zinc/23/13/61/1197231361.db2.gz BZLIFCSYHKANLM-CQSZACIVSA-N 1 2 389.431 0.783 10 0 GCAELO CC(C)(CNC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1)[NH+]1CCOCC1 ZINC000189657007 1197238044 /nfs/dbraw/zinc/23/80/44/1197238044.db2.gz KHEURIKWFZAEMJ-UHFFFAOYSA-N 1 2 390.532 0.636 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)CC[N@@H+]1CCO ZINC000190029068 1197239809 /nfs/dbraw/zinc/23/98/09/1197239809.db2.gz FQLVXCICASFFDW-ZDUSSCGKSA-N 1 2 375.404 0.475 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)CC[N@H+]1CCO ZINC000190029068 1197239811 /nfs/dbraw/zinc/23/98/11/1197239811.db2.gz FQLVXCICASFFDW-ZDUSSCGKSA-N 1 2 375.404 0.475 10 0 GCAELO CC(C)Cn1ccnc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000131475032 1197376689 /nfs/dbraw/zinc/37/66/89/1197376689.db2.gz TZUALKWLWHNRBI-MRXNPFEDSA-N 1 2 377.489 0.336 10 0 GCAELO CC(=O)NCCNC(=O)CCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188772560 1197390044 /nfs/dbraw/zinc/39/00/44/1197390044.db2.gz MWYLBNJCNQQNIG-UHFFFAOYSA-N 1 2 394.903 0.847 10 0 GCAELO CC(=O)NCCNC(=O)CCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188772560 1197390047 /nfs/dbraw/zinc/39/00/47/1197390047.db2.gz MWYLBNJCNQQNIG-UHFFFAOYSA-N 1 2 394.903 0.847 10 0 GCAELO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000246985075 1197474378 /nfs/dbraw/zinc/47/43/78/1197474378.db2.gz HKQXNSZRGBBPRJ-JFIYKMOQSA-N 1 2 379.526 0.885 10 0 GCAELO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000246985075 1197474379 /nfs/dbraw/zinc/47/43/79/1197474379.db2.gz HKQXNSZRGBBPRJ-JFIYKMOQSA-N 1 2 379.526 0.885 10 0 GCAELO CNC(=O)[C@H](NC(=O)CN1CCCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000247589999 1197476868 /nfs/dbraw/zinc/47/68/68/1197476868.db2.gz NBDGNNZQFRHUET-AZUAARDMSA-N 1 2 388.512 0.777 10 0 GCAELO CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261669541 1197510834 /nfs/dbraw/zinc/51/08/34/1197510834.db2.gz IYJZLZAUXHQDBH-AWEZNQCLSA-N 1 2 394.453 0.930 10 0 GCAELO CN(C)C(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cn1C ZINC000261623234 1197510975 /nfs/dbraw/zinc/51/09/75/1197510975.db2.gz CDIYKBZZIOIKJV-INIZCTEOSA-N 1 2 377.470 0.457 10 0 GCAELO O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261740030 1197513005 /nfs/dbraw/zinc/51/30/05/1197513005.db2.gz MKQVZYPBQSXKLR-UHFFFAOYSA-N 1 2 381.440 0.431 10 0 GCAELO Cc1cnc(N)c(S(=O)(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261800802 1197515143 /nfs/dbraw/zinc/51/51/43/1197515143.db2.gz RUOYSDXEXYZDCN-UHFFFAOYSA-N 1 2 377.474 0.235 10 0 GCAELO CN(C)C(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1 ZINC000261960318 1197520263 /nfs/dbraw/zinc/52/02/63/1197520263.db2.gz HGIUWGUCJRGZNE-HNNXBMFYSA-N 1 2 377.470 0.457 10 0 GCAELO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1 ZINC000262123767 1197525528 /nfs/dbraw/zinc/52/55/28/1197525528.db2.gz XLVKBDUFUBSDLS-OAHLLOKOSA-N 1 2 398.510 0.549 10 0 GCAELO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cc1 ZINC000262737692 1197536474 /nfs/dbraw/zinc/53/64/74/1197536474.db2.gz CGUGDGPIIXEAFD-AWEZNQCLSA-N 1 2 389.424 0.525 10 0 GCAELO O=C(CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262939746 1197538815 /nfs/dbraw/zinc/53/88/15/1197538815.db2.gz IRRBCURZBPBEKR-OAHLLOKOSA-N 1 2 384.402 0.978 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)N2CCC(O)(C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000921720210 1199066764 /nfs/dbraw/zinc/06/67/64/1199066764.db2.gz ZOEXQJFLIWIOJZ-GJZGRUSLSA-N 1 2 382.411 0.732 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)N2CCC(O)(C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000921720210 1199066770 /nfs/dbraw/zinc/06/67/70/1199066770.db2.gz ZOEXQJFLIWIOJZ-GJZGRUSLSA-N 1 2 382.411 0.732 10 0 GCAELO COC(=O)[C@H](C1CC1)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000542916854 1199154819 /nfs/dbraw/zinc/15/48/19/1199154819.db2.gz YATPAXSKVLEYGS-SFHVURJKSA-N 1 2 375.469 0.994 10 0 GCAELO Cc1cccn2cc(CCNC(=O)C(=O)N3CCSC[C@H]3CCO)[nH+]c12 ZINC000672762943 1199329535 /nfs/dbraw/zinc/32/95/35/1199329535.db2.gz YXONLZVHXZJREC-OAHLLOKOSA-N 1 2 376.482 0.628 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CCCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000673481391 1199701417 /nfs/dbraw/zinc/70/14/17/1199701417.db2.gz MPCHQLKOCKFBOV-BRWVUGGUSA-N 1 2 379.501 0.774 10 0 GCAELO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)Nc3ccc4[nH+]ccn4c3)CC2=O)c1 ZINC000673668352 1199925413 /nfs/dbraw/zinc/92/54/13/1199925413.db2.gz LCGKZUBFKAJVIX-LBPRGKRZSA-N 1 2 399.432 0.973 10 0 GCAELO CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000072104446 1200591008 /nfs/dbraw/zinc/59/10/08/1200591008.db2.gz OXKTWOCXYVBHJS-UHFFFAOYSA-N 1 2 380.514 0.925 10 0 GCAELO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000470200330 1200920139 /nfs/dbraw/zinc/92/01/39/1200920139.db2.gz AFYHPWCETUDCPN-OAHLLOKOSA-N 1 2 381.498 0.892 10 0 GCAELO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCSC[C@H]2CCO)c1 ZINC000470200330 1200920140 /nfs/dbraw/zinc/92/01/40/1200920140.db2.gz AFYHPWCETUDCPN-OAHLLOKOSA-N 1 2 381.498 0.892 10 0 GCAELO CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000730305735 1201442898 /nfs/dbraw/zinc/44/28/98/1201442898.db2.gz PLUQIYJVBQUDGX-HNNXBMFYSA-N 1 2 397.522 0.857 10 0 GCAELO C/C(=C\C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000820540602 1201513886 /nfs/dbraw/zinc/51/38/86/1201513886.db2.gz RJTUYKIWANCVDO-OBGWFSINSA-N 1 2 378.517 0.422 10 0 GCAELO CCCCS(=O)(=O)N1CCC(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC1 ZINC000822877757 1201584857 /nfs/dbraw/zinc/58/48/57/1201584857.db2.gz YPPXOZXCOZTHAD-MRXNPFEDSA-N 1 2 383.518 0.725 10 0 GCAELO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)[C@@H]1CN(C)CC[N@@H+]1C ZINC000823784280 1201608375 /nfs/dbraw/zinc/60/83/75/1201608375.db2.gz IHJLDCVQPRQZKW-IPYPFGDCSA-N 1 2 386.493 0.243 10 0 GCAELO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)[C@@H]1CN(C)CC[N@H+]1C ZINC000823784280 1201608380 /nfs/dbraw/zinc/60/83/80/1201608380.db2.gz IHJLDCVQPRQZKW-IPYPFGDCSA-N 1 2 386.493 0.243 10 0 GCAELO O=C(N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000827771413 1201707716 /nfs/dbraw/zinc/70/77/16/1201707716.db2.gz WVULUIVZNFWGHA-FZMZJTMJSA-N 1 2 380.811 0.919 10 0 GCAELO CC[S@](=O)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000741082870 1201757347 /nfs/dbraw/zinc/75/73/47/1201757347.db2.gz PMXNRPUSLZMYFR-SANMLTNESA-N 1 2 381.502 0.188 10 0 GCAELO CN(CC1CC1)C(=O)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767538657 1201977038 /nfs/dbraw/zinc/97/70/38/1201977038.db2.gz OZOULSGSHWLGNP-UHFFFAOYSA-N 1 2 388.468 0.922 10 0 GCAELO COc1ccc(C[NH+]2CCN(C(=O)CN3CCOC[C@H]3CCO)CC2)cc1 ZINC000767589371 1201978706 /nfs/dbraw/zinc/97/87/06/1201978706.db2.gz BXUQCZVXVZOIBF-GOSISDBHSA-N 1 2 377.485 0.423 10 0 GCAELO O=C(CCC(=O)N1CCOC[C@@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000769048357 1202042739 /nfs/dbraw/zinc/04/27/39/1202042739.db2.gz SXDZWPZCYRERQI-INIZCTEOSA-N 1 2 376.457 0.120 10 0 GCAELO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(C)c2C2CC2)CC1 ZINC000770751386 1202112283 /nfs/dbraw/zinc/11/22/83/1202112283.db2.gz YVMWHBPMNFJOAQ-LBPRGKRZSA-N 1 2 377.445 0.332 10 0 GCAELO CON(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000788008876 1205411483 /nfs/dbraw/zinc/41/14/83/1205411483.db2.gz HRXOYSYMWBKMNH-UHFFFAOYSA-N 1 2 399.498 0.408 10 0 GCAELO CON(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000788018318 1205411739 /nfs/dbraw/zinc/41/17/39/1205411739.db2.gz BAAWPCDAUPRGEE-UHFFFAOYSA-N 1 2 381.458 0.279 10 0 GCAELO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000805379063 1205535710 /nfs/dbraw/zinc/53/57/10/1205535710.db2.gz QRIWDCFBHQGHAD-GASCZTMLSA-N 1 2 385.530 0.260 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000805616701 1205541387 /nfs/dbraw/zinc/54/13/87/1205541387.db2.gz JNWZRRNNJDEHPC-HHHXNRCGSA-N 1 2 395.525 0.614 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000805616701 1205541390 /nfs/dbraw/zinc/54/13/90/1205541390.db2.gz JNWZRRNNJDEHPC-HHHXNRCGSA-N 1 2 395.525 0.614 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000805622693 1205541710 /nfs/dbraw/zinc/54/17/10/1205541710.db2.gz ZJRMKWUITYHHFH-JUYBDXISSA-N 1 2 379.526 0.993 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000805622693 1205541712 /nfs/dbraw/zinc/54/17/12/1205541712.db2.gz ZJRMKWUITYHHFH-JUYBDXISSA-N 1 2 379.526 0.993 10 0 GCAELO Cn1ccnc1[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000774333177 1205869666 /nfs/dbraw/zinc/86/96/66/1205869666.db2.gz BIRXGRMTVKUHFC-INIZCTEOSA-N 1 2 382.424 0.979 10 0 GCAELO COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC[NH+]1CCOCC1 ZINC000015883794 210177489 /nfs/dbraw/zinc/17/74/89/210177489.db2.gz SNTDQAIVYOSTSY-UHFFFAOYSA-N 1 2 380.470 0.203 10 0 GCAELO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000266382366 530200837 /nfs/dbraw/zinc/20/08/37/530200837.db2.gz TXGKURSOBDHNLL-MELADBBJSA-N 1 2 387.527 0.594 10 0 GCAELO O=C(Nc1cncc(Br)c1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000154259879 530275390 /nfs/dbraw/zinc/27/53/90/530275390.db2.gz FICRECLJXJAXBR-ZDUSSCGKSA-N 1 2 383.246 0.716 10 0 GCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cncc(I)c1 ZINC000132922939 530291687 /nfs/dbraw/zinc/29/16/87/530291687.db2.gz DNXGLRKEMWFBGY-GFCCVEGCSA-N 1 2 391.209 0.109 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)CC1 ZINC000569978300 530313774 /nfs/dbraw/zinc/31/37/74/530313774.db2.gz DINMSFFMSDJGTQ-WDEREUQCSA-N 1 2 384.278 0.969 10 0 GCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000178632266 530364737 /nfs/dbraw/zinc/36/47/37/530364737.db2.gz FFXVFCLQCBJRSJ-LBPRGKRZSA-N 1 2 377.388 0.710 10 0 GCAELO NS(=O)(=O)CCN1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179623625 530367263 /nfs/dbraw/zinc/36/72/63/530367263.db2.gz RLEOYELOLSYBAE-HNNXBMFYSA-N 1 2 386.905 0.739 10 0 GCAELO NS(=O)(=O)CC[NH+]1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179623625 530367265 /nfs/dbraw/zinc/36/72/65/530367265.db2.gz RLEOYELOLSYBAE-HNNXBMFYSA-N 1 2 386.905 0.739 10 0 GCAELO O=C(Nc1ccc(Br)nc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000162016942 530332827 /nfs/dbraw/zinc/33/28/27/530332827.db2.gz ZAFUBRYBSONESW-LBPRGKRZSA-N 1 2 383.246 0.716 10 0 GCAELO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[NH2+]C[C@](C)(F)C3)cc2C1 ZINC000658380123 530382210 /nfs/dbraw/zinc/38/22/10/530382210.db2.gz GRIRNFXGWNALPS-HNNXBMFYSA-N 1 2 375.491 0.975 10 0 GCAELO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000284790609 530387172 /nfs/dbraw/zinc/38/71/72/530387172.db2.gz MDSLKGQFBJKSHJ-QWHCGFSZSA-N 1 2 388.515 0.271 10 0 GCAELO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000284790609 530387173 /nfs/dbraw/zinc/38/71/73/530387173.db2.gz MDSLKGQFBJKSHJ-QWHCGFSZSA-N 1 2 388.515 0.271 10 0 GCAELO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000051795285 530474643 /nfs/dbraw/zinc/47/46/43/530474643.db2.gz KOAPHESUCQPQCY-LBPRGKRZSA-N 1 2 384.278 0.608 10 0 GCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@@H]1C ZINC000408432060 530524087 /nfs/dbraw/zinc/52/40/87/530524087.db2.gz DDOGBMXNKYSCSA-QWRGUYRKSA-N 1 2 378.292 0.920 10 0 GCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@@H]1C ZINC000408432060 530524088 /nfs/dbraw/zinc/52/40/88/530524088.db2.gz DDOGBMXNKYSCSA-QWRGUYRKSA-N 1 2 378.292 0.920 10 0 GCAELO O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329370511 530610861 /nfs/dbraw/zinc/61/08/61/530610861.db2.gz AUCZEEAZHWFIDJ-CQSZACIVSA-N 1 2 387.527 0.795 10 0 GCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)CC1 ZINC000330177615 530628590 /nfs/dbraw/zinc/62/85/90/530628590.db2.gz DBQSNQYKWPHUNO-IAGOWNOFSA-N 1 2 375.535 0.496 10 0 GCAELO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1C ZINC000472680839 530707245 /nfs/dbraw/zinc/70/72/45/530707245.db2.gz BLERUWDUGNHMQE-HUUCEWRRSA-N 1 2 381.564 0.546 10 0 GCAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000374806311 530797120 /nfs/dbraw/zinc/79/71/20/530797120.db2.gz LQWOLAUOJRJZTP-AWEZNQCLSA-N 1 2 377.507 0.638 10 0 GCAELO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000374806311 530797123 /nfs/dbraw/zinc/79/71/23/530797123.db2.gz LQWOLAUOJRJZTP-AWEZNQCLSA-N 1 2 377.507 0.638 10 0 GCAELO O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000174037936 530848086 /nfs/dbraw/zinc/84/80/86/530848086.db2.gz INLKVXSZNVWFRK-NSHDSACASA-N 1 2 386.246 0.705 10 0 GCAELO C[C@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)C[C@H]1[NH+]1CCOCC1 ZINC000173865967 530848113 /nfs/dbraw/zinc/84/81/13/530848113.db2.gz ONWJMAGUNRAMRB-CMPLNLGQSA-N 1 2 395.261 0.680 10 0 GCAELO O=C(Cc1cc2c(cc1Br)OCCO2)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178733754 530851314 /nfs/dbraw/zinc/85/13/14/530851314.db2.gz PRCAYOIDQZQQMF-CYBMUJFWSA-N 1 2 396.285 0.879 10 0 GCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)N1CCc2ccc(Br)cc21 ZINC000178962801 530852208 /nfs/dbraw/zinc/85/22/08/530852208.db2.gz XBKKSYXJMREROU-AWEZNQCLSA-N 1 2 393.285 0.454 10 0 GCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc(F)ccc1Br ZINC000178960438 530852255 /nfs/dbraw/zinc/85/22/55/530852255.db2.gz IZCLKRRCTWAFQS-NSHDSACASA-N 1 2 385.237 0.643 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179524881 530852597 /nfs/dbraw/zinc/85/25/97/530852597.db2.gz XAQGLNKMTLKHAT-STQMWFEESA-N 1 2 378.857 0.812 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179524881 530852603 /nfs/dbraw/zinc/85/26/03/530852603.db2.gz XAQGLNKMTLKHAT-STQMWFEESA-N 1 2 378.857 0.812 10 0 GCAELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cnn(CC(F)(F)F)c2)cn1 ZINC000193309922 530869191 /nfs/dbraw/zinc/86/91/91/530869191.db2.gz NTRIWMZAMAUZGN-LBPRGKRZSA-N 1 2 378.380 0.514 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ncc1Br ZINC000193914297 530841358 /nfs/dbraw/zinc/84/13/58/530841358.db2.gz MFDDPJHVDSOMBK-LLVKDONJSA-N 1 2 385.262 0.616 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ncc1Br ZINC000193914297 530841362 /nfs/dbraw/zinc/84/13/62/530841362.db2.gz MFDDPJHVDSOMBK-LLVKDONJSA-N 1 2 385.262 0.616 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000245696285 530958287 /nfs/dbraw/zinc/95/82/87/530958287.db2.gz PUPGBINKENIICD-ZIAGYGMSSA-N 1 2 376.429 0.558 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000245696285 530958290 /nfs/dbraw/zinc/95/82/90/530958290.db2.gz PUPGBINKENIICD-ZIAGYGMSSA-N 1 2 376.429 0.558 10 0 GCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194095349 530949917 /nfs/dbraw/zinc/94/99/17/530949917.db2.gz FDLUWYVSVIMVEU-DZGCQCFKSA-N 1 2 385.258 0.562 10 0 GCAELO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cn1 ZINC000262271804 530995719 /nfs/dbraw/zinc/99/57/19/530995719.db2.gz KNPDUIZMICYJKL-CQSZACIVSA-N 1 2 382.467 0.215 10 0 GCAELO Cc1cc(I)ccc1NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000235763560 530988376 /nfs/dbraw/zinc/98/83/76/530988376.db2.gz NPYUVMDOSKLTHJ-VXGBXAGGSA-N 1 2 376.194 0.576 10 0 GCAELO C[NH+]1CCN(S(=O)(=O)c2ccc(NCC[C@H](O)C(F)(F)F)nc2)CC1 ZINC000676557284 531139436 /nfs/dbraw/zinc/13/94/36/531139436.db2.gz PUEKHVCHFBHYBN-LBPRGKRZSA-N 1 2 382.408 0.743 10 0 GCAELO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCSC[C@H]2CCO)c1C ZINC000438652424 531155318 /nfs/dbraw/zinc/15/53/18/531155318.db2.gz PEOLVXWQHLHKFA-CYBMUJFWSA-N 1 2 387.527 0.689 10 0 GCAELO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCSC[C@H]2CCO)c1C ZINC000438652424 531155320 /nfs/dbraw/zinc/15/53/20/531155320.db2.gz PEOLVXWQHLHKFA-CYBMUJFWSA-N 1 2 387.527 0.689 10 0 GCAELO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000264739907 531198400 /nfs/dbraw/zinc/19/84/00/531198400.db2.gz KHDXXQAPUMHKTP-NSHDSACASA-N 1 2 375.878 0.635 10 0 GCAELO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000264739907 531198403 /nfs/dbraw/zinc/19/84/03/531198403.db2.gz KHDXXQAPUMHKTP-NSHDSACASA-N 1 2 375.878 0.635 10 0 GCAELO CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1=O ZINC000225380962 206044584 /nfs/dbraw/zinc/04/45/84/206044584.db2.gz MVGUELYIKSWTIJ-OCCSQVGLSA-N 1 2 399.369 0.573 10 0 GCAELO C/C(=C\C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1)C[NH+]1CCOCC1 ZINC000912723535 639550224 /nfs/dbraw/zinc/55/02/24/639550224.db2.gz JOWSEGOVLPPDQQ-XYOKQWHBSA-N 1 2 385.511 0.559 10 0 GCAELO CC(=O)N[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)c1cccc(Br)c1 ZINC000913558857 639638489 /nfs/dbraw/zinc/63/84/89/639638489.db2.gz ZDZGVMYKVDEOFY-HUUCEWRRSA-N 1 2 384.274 0.761 10 0 GCAELO CC(=O)N[C@@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)c1cccc(Br)c1 ZINC000913558857 639638495 /nfs/dbraw/zinc/63/84/95/639638495.db2.gz ZDZGVMYKVDEOFY-HUUCEWRRSA-N 1 2 384.274 0.761 10 0 GCAELO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000753784760 640438400 /nfs/dbraw/zinc/43/84/00/640438400.db2.gz GFTNLLCXEAMSDH-CQSZACIVSA-N 1 2 379.523 0.884 10 0 GCAELO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000753784760 640438406 /nfs/dbraw/zinc/43/84/06/640438406.db2.gz GFTNLLCXEAMSDH-CQSZACIVSA-N 1 2 379.523 0.884 10 0 GCAELO C/C(=C\C(=O)N1CSC[C@H]1C(=O)N1CCSCC1)C[NH+]1CCOCC1 ZINC000900438934 642087574 /nfs/dbraw/zinc/08/75/74/642087574.db2.gz JKILODFNMGOBRS-IPJDOKCGSA-N 1 2 385.555 0.742 10 0 GCAELO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000626254035 1192295852 /nfs/dbraw/zinc/29/58/52/1192295852.db2.gz MDRMIQRGAKKEMQ-CQSZACIVSA-N 1 2 375.473 0.586 10 0 GCAELO C[C@@H](NC(=O)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1)C(=O)N(C)C ZINC000051562545 1192313500 /nfs/dbraw/zinc/31/35/00/1192313500.db2.gz PNRWRJWLXMMVKW-OAHLLOKOSA-N 1 2 396.919 0.929 10 0 GCAELO CC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000654885684 1184179921 /nfs/dbraw/zinc/17/99/21/1184179921.db2.gz DBIWLTIHBNOQOL-MELADBBJSA-N 1 2 391.472 0.617 10 0 GCAELO CC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000654885684 1184179926 /nfs/dbraw/zinc/17/99/26/1184179926.db2.gz DBIWLTIHBNOQOL-MELADBBJSA-N 1 2 391.472 0.617 10 0 GCAELO Cn1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c([C@@H]2CCOC2)n1 ZINC000275562019 1184713554 /nfs/dbraw/zinc/71/35/54/1184713554.db2.gz PWNOVWZLAJBBDA-MRXNPFEDSA-N 1 2 389.500 0.694 10 0 GCAELO Cn1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c([C@@H]2CCOC2)n1 ZINC000275562019 1184713562 /nfs/dbraw/zinc/71/35/62/1184713562.db2.gz PWNOVWZLAJBBDA-MRXNPFEDSA-N 1 2 389.500 0.694 10 0 GCAELO C[C@@H]1CN(c2nc(N3CC(=O)N(C)[C@@H](C)C3)[nH+]c3c2SCC3)CC(=O)N1C ZINC000286519109 1184724004 /nfs/dbraw/zinc/72/40/04/1184724004.db2.gz RLRGRKSPAVIJBC-NEPJUHHUSA-N 1 2 390.513 0.459 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCCOC3)c2)CC1 ZINC000275696942 1184941920 /nfs/dbraw/zinc/94/19/20/1184941920.db2.gz QXMRLJZFCWERNU-GOSISDBHSA-N 1 2 388.468 0.584 10 0 GCAELO Cn1ccnc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)c1=O ZINC000275799394 1185076529 /nfs/dbraw/zinc/07/65/29/1185076529.db2.gz URGFEWJSAIZAES-CVEARBPZSA-N 1 2 397.483 0.722 10 0 GCAELO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000580273320 1185137433 /nfs/dbraw/zinc/13/74/33/1185137433.db2.gz OANDPJQYVYHJDC-ZDUSSCGKSA-N 1 2 389.412 0.093 10 0 GCAELO Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000581184339 1185524241 /nfs/dbraw/zinc/52/42/41/1185524241.db2.gz KSNXVEASTPUGLT-GOSISDBHSA-N 1 2 376.482 0.877 10 0 GCAELO Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000581184339 1185524247 /nfs/dbraw/zinc/52/42/47/1185524247.db2.gz KSNXVEASTPUGLT-GOSISDBHSA-N 1 2 376.482 0.877 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC(C)(F)C3)c2)CC1 ZINC000684304749 1185755981 /nfs/dbraw/zinc/75/59/81/1185755981.db2.gz XFGMTEXCFUSWLM-UHFFFAOYSA-N 1 2 376.432 0.860 10 0 GCAELO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127381647 1186863854 /nfs/dbraw/zinc/86/38/54/1186863854.db2.gz RRCDEHNXWJQNDV-VQIMIIECSA-N 1 2 396.438 0.859 10 0 GCAELO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127381647 1186863858 /nfs/dbraw/zinc/86/38/58/1186863858.db2.gz RRCDEHNXWJQNDV-VQIMIIECSA-N 1 2 396.438 0.859 10 0 GCAELO C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000329447030 1186940730 /nfs/dbraw/zinc/94/07/30/1186940730.db2.gz LGEZSGZGSPCMIC-MRXNPFEDSA-N 1 2 395.529 0.212 10 0 GCAELO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000332859930 1187796084 /nfs/dbraw/zinc/79/60/84/1187796084.db2.gz UZRGLUCDHSTSEP-KFWWJZLASA-N 1 2 382.482 0.698 10 0 GCAELO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000332859930 1187796091 /nfs/dbraw/zinc/79/60/91/1187796091.db2.gz UZRGLUCDHSTSEP-KFWWJZLASA-N 1 2 382.482 0.698 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)ccc21 ZINC000416652625 1189564555 /nfs/dbraw/zinc/56/45/55/1189564555.db2.gz BPNFVNMXLOAZCQ-KGLIPLIRSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)ccc21 ZINC000416652625 1189564559 /nfs/dbraw/zinc/56/45/59/1189564559.db2.gz BPNFVNMXLOAZCQ-KGLIPLIRSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)cc21 ZINC000416667787 1189568775 /nfs/dbraw/zinc/56/87/75/1189568775.db2.gz PYJBTRSZXVJWDO-UONOGXRCSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H](C)[N@H+](CCO)C[C@H]3C)cc21 ZINC000416667787 1189568777 /nfs/dbraw/zinc/56/87/77/1189568777.db2.gz PYJBTRSZXVJWDO-UONOGXRCSA-N 1 2 381.498 0.671 10 0 GCAELO C[C@@H]1CCCN(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000027970742 1189816215 /nfs/dbraw/zinc/81/62/15/1189816215.db2.gz PZHIYSLPSLTZDS-CYBMUJFWSA-N 1 2 379.490 0.462 10 0 GCAELO Cc1cc(C)c(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)[nH+]1 ZINC000408466898 1193904864 /nfs/dbraw/zinc/90/48/64/1193904864.db2.gz NCVIUMMHODCMTF-UHFFFAOYSA-N 1 2 397.501 0.733 10 0 GCAELO CC(=O)C1(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1 ZINC000513596235 1193965863 /nfs/dbraw/zinc/96/58/63/1193965863.db2.gz YNIVTYOIPAHPNM-OAHLLOKOSA-N 1 2 387.484 0.319 10 0 GCAELO C[C@H](CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1)[NH+]1CCOCC1 ZINC000280141288 1193977093 /nfs/dbraw/zinc/97/70/93/1193977093.db2.gz ZZXQCDPOLWWBCD-PMPSAXMXSA-N 1 2 380.468 0.756 10 0 GCAELO COc1ccccc1N1C(=O)C[C@H]([NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000504437926 1194794329 /nfs/dbraw/zinc/79/43/29/1194794329.db2.gz FAMUNAKFXHWQCQ-HNNXBMFYSA-N 1 2 395.481 0.588 10 0 GCAELO COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1OC ZINC000434784457 1194869338 /nfs/dbraw/zinc/86/93/38/1194869338.db2.gz NKEMMHFHYHTBKS-IBGZPJMESA-N 1 2 390.440 0.336 10 0 GCAELO COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1OC ZINC000434784457 1194869340 /nfs/dbraw/zinc/86/93/40/1194869340.db2.gz NKEMMHFHYHTBKS-IBGZPJMESA-N 1 2 390.440 0.336 10 0 GCAELO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)n[nH]1 ZINC000434799072 1194871500 /nfs/dbraw/zinc/87/15/00/1194871500.db2.gz OMVDNOVCZZPBBE-IBGZPJMESA-N 1 2 397.439 0.701 10 0 GCAELO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)n[nH]1 ZINC000434799072 1194871503 /nfs/dbraw/zinc/87/15/03/1194871503.db2.gz OMVDNOVCZZPBBE-IBGZPJMESA-N 1 2 397.439 0.701 10 0 GCAELO C[C@@H]1CCc2nc(NC(=O)C(=O)NC[C@H](O)C[NH+]3CCOCC3)sc2C1 ZINC000434967804 1194880211 /nfs/dbraw/zinc/88/02/11/1194880211.db2.gz ISHHEMQPUOTOTH-NEPJUHHUSA-N 1 2 382.486 0.016 10 0 GCAELO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435381269 1194926322 /nfs/dbraw/zinc/92/63/22/1194926322.db2.gz VVCRZIFFEXCWQY-GZBFAFLISA-N 1 2 378.429 0.701 10 0 GCAELO C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436299389 1194995449 /nfs/dbraw/zinc/99/54/49/1194995449.db2.gz FVKQBPWSQVVMGA-GHTZIAJQSA-N 1 2 385.464 0.617 10 0 GCAELO C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436299389 1194995450 /nfs/dbraw/zinc/99/54/50/1194995450.db2.gz FVKQBPWSQVVMGA-GHTZIAJQSA-N 1 2 385.464 0.617 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000519860533 1195576460 /nfs/dbraw/zinc/57/64/60/1195576460.db2.gz WDZPNUHCZMKHCF-JJTUDDRGSA-N 1 2 379.501 0.485 10 0 GCAELO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000550404944 1195720972 /nfs/dbraw/zinc/72/09/72/1195720972.db2.gz TWMCBVKEQPMMOF-UHFFFAOYSA-N 1 2 390.465 0.836 10 0 GCAELO Cc1cnn(-c2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc2F)c1 ZINC000190029944 1195755568 /nfs/dbraw/zinc/75/55/68/1195755568.db2.gz DFFUSMCXBMIBHK-CQSZACIVSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1cnn(-c2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc2F)c1 ZINC000190029944 1195755571 /nfs/dbraw/zinc/75/55/71/1195755571.db2.gz DFFUSMCXBMIBHK-CQSZACIVSA-N 1 2 389.431 0.783 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)CC[N@@H+]1CCO ZINC000190047840 1195756759 /nfs/dbraw/zinc/75/67/59/1195756759.db2.gz RZDZXADNCJEMIV-AWEZNQCLSA-N 1 2 377.489 0.931 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)CC[N@H+]1CCO ZINC000190047840 1195756765 /nfs/dbraw/zinc/75/67/65/1195756765.db2.gz RZDZXADNCJEMIV-AWEZNQCLSA-N 1 2 377.489 0.931 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)C2 ZINC000474895978 1196189429 /nfs/dbraw/zinc/18/94/29/1196189429.db2.gz BUPPAVVMBOXYIW-CHWSQXEVSA-N 1 2 383.518 0.670 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)CC2 ZINC000474895978 1196189430 /nfs/dbraw/zinc/18/94/30/1196189430.db2.gz BUPPAVVMBOXYIW-CHWSQXEVSA-N 1 2 383.518 0.670 10 0 GCAELO C[C@@H](C1CC1)n1nccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000171499054 1196404037 /nfs/dbraw/zinc/40/40/37/1196404037.db2.gz STXVERCMTDYRMM-HOCLYGCPSA-N 1 2 375.473 0.973 10 0 GCAELO C[C@@H]1C[N@H+](CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 ZINC000523436112 1196524805 /nfs/dbraw/zinc/52/48/05/1196524805.db2.gz WUBGEUPYQKVLDG-MRXNPFEDSA-N 1 2 395.525 0.924 10 0 GCAELO C[C@@H]1C[N@@H+](CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 ZINC000523436112 1196524811 /nfs/dbraw/zinc/52/48/11/1196524811.db2.gz WUBGEUPYQKVLDG-MRXNPFEDSA-N 1 2 395.525 0.924 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)[C@@H]2CCOC2)CC1 ZINC000445083285 1196541505 /nfs/dbraw/zinc/54/15/05/1196541505.db2.gz OSWGZZZHNLXUJE-QGZVFWFLSA-N 1 2 388.468 0.537 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H](C)c2cn[nH]c2)CC1 ZINC000445124805 1196548830 /nfs/dbraw/zinc/54/88/30/1196548830.db2.gz VPDXHOZXURSDPW-AWEZNQCLSA-N 1 2 398.467 0.890 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3cn[nH]c3)c2)CC1 ZINC000445115431 1196550371 /nfs/dbraw/zinc/55/03/71/1196550371.db2.gz GIKBBQGFOQYRNA-AWEZNQCLSA-N 1 2 398.467 0.890 10 0 GCAELO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525941581 1196728356 /nfs/dbraw/zinc/72/83/56/1196728356.db2.gz KQNLQKVCXGNQON-MCIONIFRSA-N 1 2 377.407 0.966 10 0 GCAELO COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC(=O)N2C)cc1 ZINC000116194531 1196795881 /nfs/dbraw/zinc/79/58/81/1196795881.db2.gz HWZGRDASBHBQFU-MOXGXCLJSA-N 1 2 388.512 0.967 10 0 GCAELO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000118312662 1196853872 /nfs/dbraw/zinc/85/38/72/1196853872.db2.gz BMMQCPNANAUKJY-GOSISDBHSA-N 1 2 399.499 0.388 10 0 GCAELO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000118312662 1196853875 /nfs/dbraw/zinc/85/38/75/1196853875.db2.gz BMMQCPNANAUKJY-GOSISDBHSA-N 1 2 399.499 0.388 10 0 GCAELO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000118312660 1196854371 /nfs/dbraw/zinc/85/43/71/1196854371.db2.gz BMMQCPNANAUKJY-SFHVURJKSA-N 1 2 399.499 0.388 10 0 GCAELO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000118312660 1196854376 /nfs/dbraw/zinc/85/43/76/1196854376.db2.gz BMMQCPNANAUKJY-SFHVURJKSA-N 1 2 399.499 0.388 10 0 GCAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000168515316 1196881096 /nfs/dbraw/zinc/88/10/96/1196881096.db2.gz DZETTYYAZDDFFO-CQSZACIVSA-N 1 2 394.439 0.816 10 0 GCAELO CCOC(=O)[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC12COC2 ZINC000450569585 1196940182 /nfs/dbraw/zinc/94/01/82/1196940182.db2.gz OFMJJOBGRPNSDQ-GJZGRUSLSA-N 1 2 376.457 0.701 10 0 GCAELO CCOC(=O)[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC12COC2 ZINC000450572823 1196941045 /nfs/dbraw/zinc/94/10/45/1196941045.db2.gz VLSCKNDTEKIUFX-CABCVRRESA-N 1 2 376.457 0.844 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccccc2C(=O)OC)CC12COC2 ZINC000451140053 1196972836 /nfs/dbraw/zinc/97/28/36/1196972836.db2.gz SZXSFGKSWPENQJ-CQSZACIVSA-N 1 2 376.409 0.923 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2C(=O)OC)CC12COC2 ZINC000451140053 1196972840 /nfs/dbraw/zinc/97/28/40/1196972840.db2.gz SZXSFGKSWPENQJ-CQSZACIVSA-N 1 2 376.409 0.923 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2nc(-c3ccc(OC)nn3)no2)CC12COC2 ZINC000451140800 1196973052 /nfs/dbraw/zinc/97/30/52/1196973052.db2.gz UPGKVSRRLQAYKV-NSHDSACASA-N 1 2 375.385 0.547 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2nc(-c3ccc(OC)nn3)no2)CC12COC2 ZINC000451140800 1196973054 /nfs/dbraw/zinc/97/30/54/1196973054.db2.gz UPGKVSRRLQAYKV-NSHDSACASA-N 1 2 375.385 0.547 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC12COC2 ZINC000451129262 1196974161 /nfs/dbraw/zinc/97/41/61/1196974161.db2.gz ZIWMJNRKDSNCII-ROUUACIJSA-N 1 2 388.464 0.814 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC12COC2 ZINC000451129262 1196974162 /nfs/dbraw/zinc/97/41/62/1196974162.db2.gz ZIWMJNRKDSNCII-ROUUACIJSA-N 1 2 388.464 0.814 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC12COC2 ZINC000451143680 1196975383 /nfs/dbraw/zinc/97/53/83/1196975383.db2.gz XKFXJRWLFRJKFO-GFCCVEGCSA-N 1 2 377.397 0.318 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC12COC2 ZINC000451143680 1196975384 /nfs/dbraw/zinc/97/53/84/1196975384.db2.gz XKFXJRWLFRJKFO-GFCCVEGCSA-N 1 2 377.397 0.318 10 0 GCAELO Cc1nnc(CN2CCN(C(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)CC2)[nH]1 ZINC000530584786 1196998125 /nfs/dbraw/zinc/99/81/25/1196998125.db2.gz ZJECLRIAOWGBRG-UHFFFAOYSA-N 1 2 397.527 0.819 10 0 GCAELO CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC12COC2 ZINC000453794317 1197133299 /nfs/dbraw/zinc/13/32/99/1197133299.db2.gz FKTWQMNLPWFKBV-MRXNPFEDSA-N 1 2 398.419 0.849 10 0 GCAELO O=C(NCC1CCCCCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000453906218 1197148100 /nfs/dbraw/zinc/14/81/00/1197148100.db2.gz XPFPETJEWYBLLJ-UHFFFAOYSA-N 1 2 377.489 1.240 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)CC[N@@H+]1CCO ZINC000190039229 1197239753 /nfs/dbraw/zinc/23/97/53/1197239753.db2.gz SKUDKNMYDYSIIP-CYBMUJFWSA-N 1 2 375.404 0.475 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)CC[N@H+]1CCO ZINC000190039229 1197239754 /nfs/dbraw/zinc/23/97/54/1197239754.db2.gz SKUDKNMYDYSIIP-CYBMUJFWSA-N 1 2 375.404 0.475 10 0 GCAELO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000190366865 1197240842 /nfs/dbraw/zinc/24/08/42/1197240842.db2.gz WJRMEBFMVWUNKJ-MRXNPFEDSA-N 1 2 397.501 0.948 10 0 GCAELO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000190366865 1197240844 /nfs/dbraw/zinc/24/08/44/1197240844.db2.gz WJRMEBFMVWUNKJ-MRXNPFEDSA-N 1 2 397.501 0.948 10 0 GCAELO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649997 1197254293 /nfs/dbraw/zinc/25/42/93/1197254293.db2.gz MSOLUVLWVWZUQW-INIZCTEOSA-N 1 2 398.467 0.565 10 0 GCAELO COCCc1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)n(C)n1 ZINC000126106309 1197356964 /nfs/dbraw/zinc/35/69/64/1197356964.db2.gz ACWBNXQHFFSKGT-UHFFFAOYSA-N 1 2 391.497 0.784 10 0 GCAELO COCCc1cc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)n(C)n1 ZINC000126106309 1197356965 /nfs/dbraw/zinc/35/69/65/1197356965.db2.gz ACWBNXQHFFSKGT-UHFFFAOYSA-N 1 2 391.497 0.784 10 0 GCAELO O=C(NCc1ccn(C2CCCC2)n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000126234467 1197357047 /nfs/dbraw/zinc/35/70/47/1197357047.db2.gz MOXVODYOIVLCFX-MRXNPFEDSA-N 1 2 389.500 0.795 10 0 GCAELO O=C(NCc1ccn(C2CCCC2)n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000126234704 1197357140 /nfs/dbraw/zinc/35/71/40/1197357140.db2.gz MOXVODYOIVLCFX-INIZCTEOSA-N 1 2 389.500 0.795 10 0 GCAELO COC(=O)COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261783755 1197514744 /nfs/dbraw/zinc/51/47/44/1197514744.db2.gz UGSWZSDJVMCGCC-KRWDZBQOSA-N 1 2 391.449 0.969 10 0 GCAELO CNC(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)cn1C ZINC000261811099 1197515217 /nfs/dbraw/zinc/51/52/17/1197515217.db2.gz WYLPHFUAKGKJKS-INIZCTEOSA-N 1 2 392.481 0.729 10 0 GCAELO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333451035 1197522822 /nfs/dbraw/zinc/52/28/22/1197522822.db2.gz LUOMULQYLBFSIM-JKSUJKDBSA-N 1 2 390.488 0.224 10 0 GCAELO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000333451035 1197522825 /nfs/dbraw/zinc/52/28/25/1197522825.db2.gz LUOMULQYLBFSIM-JKSUJKDBSA-N 1 2 390.488 0.224 10 0 GCAELO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cc1 ZINC000262737695 1197536452 /nfs/dbraw/zinc/53/64/52/1197536452.db2.gz CGUGDGPIIXEAFD-CQSZACIVSA-N 1 2 389.424 0.525 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(O)(C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000921720211 1199066259 /nfs/dbraw/zinc/06/62/59/1199066259.db2.gz ZOEXQJFLIWIOJZ-HUUCEWRRSA-N 1 2 382.411 0.732 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)N2CCC(O)(C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000921720211 1199066268 /nfs/dbraw/zinc/06/62/68/1199066268.db2.gz ZOEXQJFLIWIOJZ-HUUCEWRRSA-N 1 2 382.411 0.732 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@]2(CCCOC2)O1 ZINC000672138844 1199132558 /nfs/dbraw/zinc/13/25/58/1199132558.db2.gz DVVZTTPEEHAAQJ-IFXJQAMLSA-N 1 2 376.457 0.632 10 0 GCAELO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000672530617 1199259705 /nfs/dbraw/zinc/25/97/05/1199259705.db2.gz QCWRCWFWDTWHAK-GOEBONIOSA-N 1 2 381.436 0.658 10 0 GCAELO Cc1ccc2[nH]c(CNC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000672751546 1199326141 /nfs/dbraw/zinc/32/61/41/1199326141.db2.gz DPHOLZBZLDCVNN-OAHLLOKOSA-N 1 2 385.468 0.811 10 0 GCAELO CC(C)(C)n1cnc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000543229958 1199596301 /nfs/dbraw/zinc/59/63/01/1199596301.db2.gz GXTJRWNBZVXGAD-UHFFFAOYSA-N 1 2 399.499 0.910 10 0 GCAELO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673851126 1199959894 /nfs/dbraw/zinc/95/98/94/1199959894.db2.gz YOXOERPCYDVTBY-MRXNPFEDSA-N 1 2 375.473 0.841 10 0 GCAELO O=C(CN1CCN2CCOC[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000543561209 1200126917 /nfs/dbraw/zinc/12/69/17/1200126917.db2.gz KBYKNCQCYOPHAE-HXUWFJFHSA-N 1 2 388.512 0.151 10 0 GCAELO C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccncc1 ZINC000676553221 1200567755 /nfs/dbraw/zinc/56/77/55/1200567755.db2.gz FAZSMOSHZPTDGW-OAHLLOKOSA-N 1 2 386.456 0.469 10 0 GCAELO CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000730305737 1201442578 /nfs/dbraw/zinc/44/25/78/1201442578.db2.gz PLUQIYJVBQUDGX-OAHLLOKOSA-N 1 2 397.522 0.857 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000735197652 1201682684 /nfs/dbraw/zinc/68/26/84/1201682684.db2.gz GMVKANNKAVMMHF-RMKBEBRYSA-N 1 2 381.498 0.903 10 0 GCAELO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[S@@](=O)CC)cc2)CC1 ZINC000735197647 1201682933 /nfs/dbraw/zinc/68/29/33/1201682933.db2.gz GMIWFKGXZQUMHO-MHZLTWQESA-N 1 2 394.541 0.647 10 0 GCAELO CN(C)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(Cl)n1 ZINC000736150666 1201710777 /nfs/dbraw/zinc/71/07/77/1201710777.db2.gz AABOKJDXQHGAFE-AWEZNQCLSA-N 1 2 395.891 0.464 10 0 GCAELO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cn2c3ccccc3n(C)c2=O)CC1 ZINC000738169846 1201735689 /nfs/dbraw/zinc/73/56/89/1201735689.db2.gz MLOFXGPSJZRSGV-MRXNPFEDSA-N 1 2 389.500 0.456 10 0 GCAELO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000805379064 1205535680 /nfs/dbraw/zinc/53/56/80/1205535680.db2.gz QRIWDCFBHQGHAD-GJZGRUSLSA-N 1 2 385.530 0.260 10 0 GCAELO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000774338630 1205869559 /nfs/dbraw/zinc/86/95/59/1205869559.db2.gz SIKXRBSCQOAUJQ-CZUORRHYSA-N 1 2 382.424 0.979 10 0 GCAELO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@H]2CCCO2)C1 ZINC000536342467 530181425 /nfs/dbraw/zinc/18/14/25/530181425.db2.gz TZMJLTJWKMAJEC-MWDXBVQZSA-N 1 2 377.503 0.211 10 0 GCAELO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@H]2CCCO2)C1 ZINC000536342467 530181427 /nfs/dbraw/zinc/18/14/27/530181427.db2.gz TZMJLTJWKMAJEC-MWDXBVQZSA-N 1 2 377.503 0.211 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000124462234 530276237 /nfs/dbraw/zinc/27/62/37/530276237.db2.gz PUPGBINKENIICD-KGLIPLIRSA-N 1 2 376.429 0.558 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000124462234 530276240 /nfs/dbraw/zinc/27/62/40/530276240.db2.gz PUPGBINKENIICD-KGLIPLIRSA-N 1 2 376.429 0.558 10 0 GCAELO O=C(Cc1ccc(Br)c(F)c1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000133138298 530291921 /nfs/dbraw/zinc/29/19/21/530291921.db2.gz BVWBDCFRVGDTBC-LBPRGKRZSA-N 1 2 375.238 0.940 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)CC1 ZINC000569978298 530313771 /nfs/dbraw/zinc/31/37/71/530313771.db2.gz DINMSFFMSDJGTQ-MNOVXSKESA-N 1 2 384.278 0.969 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)CC1 ZINC000569978299 530313899 /nfs/dbraw/zinc/31/38/99/530313899.db2.gz DINMSFFMSDJGTQ-QWRGUYRKSA-N 1 2 384.278 0.969 10 0 GCAELO O=C(Nc1cncc(Br)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000155918625 530321966 /nfs/dbraw/zinc/32/19/66/530321966.db2.gz KEFKVKIHMAMKBF-GFCCVEGCSA-N 1 2 397.273 0.963 10 0 GCAELO CCC(CC)[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000332902163 530331385 /nfs/dbraw/zinc/33/13/85/530331385.db2.gz RXFILVKNVCNLGM-GDBMZVCRSA-N 1 2 375.535 0.952 10 0 GCAELO Cc1ncc(C[NH+]2CCN(CCNS(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000173673315 530326842 /nfs/dbraw/zinc/32/68/42/530326842.db2.gz ZSTMZWBNVRJLGZ-UHFFFAOYSA-N 1 2 384.531 0.281 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000180257157 530369300 /nfs/dbraw/zinc/36/93/00/530369300.db2.gz OFCCWYOXHUBDNZ-AAEUAGOBSA-N 1 2 397.273 0.962 10 0 GCAELO O=C(Cc1ccc(F)cc1Br)NC[C@H](O)C[NH+]1CCOCC1 ZINC000188042701 530382746 /nfs/dbraw/zinc/38/27/46/530382746.db2.gz OJQVGAZLQRBIEQ-ZDUSSCGKSA-N 1 2 375.238 0.940 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000193718279 530394054 /nfs/dbraw/zinc/39/40/54/530394054.db2.gz XVWJZKNIYBFFHP-AAEUAGOBSA-N 1 2 397.273 0.962 10 0 GCAELO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1 ZINC000408181423 530445202 /nfs/dbraw/zinc/44/52/02/530445202.db2.gz COWNSMRZLIXWDD-KGLIPLIRSA-N 1 2 387.527 0.842 10 0 GCAELO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1 ZINC000408181423 530445203 /nfs/dbraw/zinc/44/52/03/530445203.db2.gz COWNSMRZLIXWDD-KGLIPLIRSA-N 1 2 387.527 0.842 10 0 GCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@H]1C ZINC000408432058 530523979 /nfs/dbraw/zinc/52/39/79/530523979.db2.gz DDOGBMXNKYSCSA-MNOVXSKESA-N 1 2 378.292 0.920 10 0 GCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@H]1C ZINC000408432058 530523980 /nfs/dbraw/zinc/52/39/80/530523980.db2.gz DDOGBMXNKYSCSA-MNOVXSKESA-N 1 2 378.292 0.920 10 0 GCAELO CC[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CCN1CC(F)F ZINC000153687778 530536546 /nfs/dbraw/zinc/53/65/46/530536546.db2.gz HCKKCEHLNTZXNQ-CYBMUJFWSA-N 1 2 384.493 0.045 10 0 GCAELO CC[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CCN1CC(F)F ZINC000153687778 530536548 /nfs/dbraw/zinc/53/65/48/530536548.db2.gz HCKKCEHLNTZXNQ-CYBMUJFWSA-N 1 2 384.493 0.045 10 0 GCAELO O=C(C[N@H+]1CCOC[C@H](O)C1)Nc1cccc(I)c1 ZINC000295759096 530575143 /nfs/dbraw/zinc/57/51/43/530575143.db2.gz XUBNKZICGOIMAS-GFCCVEGCSA-N 1 2 376.194 0.923 10 0 GCAELO O=C(C[N@@H+]1CCOC[C@H](O)C1)Nc1cccc(I)c1 ZINC000295759096 530575145 /nfs/dbraw/zinc/57/51/45/530575145.db2.gz XUBNKZICGOIMAS-GFCCVEGCSA-N 1 2 376.194 0.923 10 0 GCAELO COCC[N@@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)C[C@@H]1C ZINC000330162401 530628777 /nfs/dbraw/zinc/62/87/77/530628777.db2.gz AHIBXQYJEWSAIA-RDJZCZTQSA-N 1 2 375.535 0.760 10 0 GCAELO COCC[N@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)C[C@@H]1C ZINC000330162401 530628780 /nfs/dbraw/zinc/62/87/80/530628780.db2.gz AHIBXQYJEWSAIA-RDJZCZTQSA-N 1 2 375.535 0.760 10 0 GCAELO Brc1ccccc1-n1nnnc1Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641026945 530697383 /nfs/dbraw/zinc/69/73/83/530697383.db2.gz KHBORIWISUFJFM-GFCCVEGCSA-N 1 2 391.233 0.726 10 0 GCAELO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000376328008 530812999 /nfs/dbraw/zinc/81/29/99/530812999.db2.gz OMDOSDDLYLLFKU-CQSZACIVSA-N 1 2 376.523 0.163 10 0 GCAELO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000376328008 530813002 /nfs/dbraw/zinc/81/30/02/530813002.db2.gz OMDOSDDLYLLFKU-CQSZACIVSA-N 1 2 376.523 0.163 10 0 GCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@H]1C ZINC000269765124 530825470 /nfs/dbraw/zinc/82/54/70/530825470.db2.gz CZWYUBAIRPZLLM-GHMZBOCLSA-N 1 2 378.292 0.920 10 0 GCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@H]1C ZINC000269765124 530825472 /nfs/dbraw/zinc/82/54/72/530825472.db2.gz CZWYUBAIRPZLLM-GHMZBOCLSA-N 1 2 378.292 0.920 10 0 GCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@H]1C ZINC000269765125 530826065 /nfs/dbraw/zinc/82/60/65/530826065.db2.gz CZWYUBAIRPZLLM-MNOVXSKESA-N 1 2 378.292 0.920 10 0 GCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@H]1C ZINC000269765125 530826068 /nfs/dbraw/zinc/82/60/68/530826068.db2.gz CZWYUBAIRPZLLM-MNOVXSKESA-N 1 2 378.292 0.920 10 0 GCAELO COc1cc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1Br ZINC000178959413 530852020 /nfs/dbraw/zinc/85/20/20/530852020.db2.gz LKXOAYQTWMBIJW-LBPRGKRZSA-N 1 2 397.273 0.512 10 0 GCAELO COc1cc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1Br ZINC000178959402 530852278 /nfs/dbraw/zinc/85/22/78/530852278.db2.gz LKXOAYQTWMBIJW-GFCCVEGCSA-N 1 2 397.273 0.512 10 0 GCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc(Br)ccc1F ZINC000178958044 530852370 /nfs/dbraw/zinc/85/23/70/530852370.db2.gz CXFYIJBEAUQDFP-NSHDSACASA-N 1 2 385.237 0.643 10 0 GCAELO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cnc1Br ZINC000182846239 530853983 /nfs/dbraw/zinc/85/39/83/530853983.db2.gz VYLGMLRIHVCJEE-GFCCVEGCSA-N 1 2 382.262 0.207 10 0 GCAELO Cc1cc(I)ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185143265 530855368 /nfs/dbraw/zinc/85/53/68/530855368.db2.gz RMECMRJLVIUYTN-VXGBXAGGSA-N 1 2 390.221 0.966 10 0 GCAELO Cc1cc(I)ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185143265 530855371 /nfs/dbraw/zinc/85/53/71/530855371.db2.gz RMECMRJLVIUYTN-VXGBXAGGSA-N 1 2 390.221 0.966 10 0 GCAELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cnn(CC(F)(F)F)c2)cn1 ZINC000193309934 530869762 /nfs/dbraw/zinc/86/97/62/530869762.db2.gz NTRIWMZAMAUZGN-GFCCVEGCSA-N 1 2 378.380 0.514 10 0 GCAELO C[C@@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000493936689 530840799 /nfs/dbraw/zinc/84/07/99/530840799.db2.gz ZAESKJJNRVLULZ-ZIAGYGMSSA-N 1 2 376.523 0.066 10 0 GCAELO C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000171287262 530842752 /nfs/dbraw/zinc/84/27/52/530842752.db2.gz XDHMBPXGEKTDCN-SECBINFHSA-N 1 2 376.276 0.687 10 0 GCAELO C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000171287262 530842755 /nfs/dbraw/zinc/84/27/55/530842755.db2.gz XDHMBPXGEKTDCN-SECBINFHSA-N 1 2 376.276 0.687 10 0 GCAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)cs1 ZINC000171815815 530961279 /nfs/dbraw/zinc/96/12/79/530961279.db2.gz IEOKBUORPUJXGQ-OAHLLOKOSA-N 1 2 386.543 0.910 10 0 GCAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)cs1 ZINC000171815815 530961281 /nfs/dbraw/zinc/96/12/81/530961281.db2.gz IEOKBUORPUJXGQ-OAHLLOKOSA-N 1 2 386.543 0.910 10 0 GCAELO Cc1nc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1Br ZINC000193609672 530949951 /nfs/dbraw/zinc/94/99/51/530949951.db2.gz ZAKRVIXVEGOTLE-NSHDSACASA-N 1 2 382.262 0.207 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000248507898 530979782 /nfs/dbraw/zinc/97/97/82/530979782.db2.gz ZCXITNCLGOTWFF-DGCLKSJQSA-N 1 2 382.408 0.787 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000130489901 530988906 /nfs/dbraw/zinc/98/89/06/530988906.db2.gz LRKRKHSRCJCEDQ-RDJZCZTQSA-N 1 2 385.917 0.932 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000130489901 530988909 /nfs/dbraw/zinc/98/89/09/530988909.db2.gz LRKRKHSRCJCEDQ-RDJZCZTQSA-N 1 2 385.917 0.932 10 0 GCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@@H]21 ZINC000333633592 531056270 /nfs/dbraw/zinc/05/62/70/531056270.db2.gz HUIIUDOSWBDNSM-QWRGUYRKSA-N 1 2 381.234 1.039 10 0 GCAELO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@@H]21 ZINC000333633592 531056273 /nfs/dbraw/zinc/05/62/73/531056273.db2.gz HUIIUDOSWBDNSM-QWRGUYRKSA-N 1 2 381.234 1.039 10 0 GCAELO COCCN(C(=O)C[NH2+][C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000544475081 531079933 /nfs/dbraw/zinc/07/99/33/531079933.db2.gz ICSLXDRNIILCIH-STQMWFEESA-N 1 2 375.516 0.764 10 0 GCAELO COCCN(C(=O)C[NH2+][C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000544475080 531079989 /nfs/dbraw/zinc/07/99/89/531079989.db2.gz ICSLXDRNIILCIH-QWHCGFSZSA-N 1 2 375.516 0.764 10 0 GCAELO C[NH+]1CCN(S(=O)(=O)c2ccc(NCC[C@@H](O)C(F)(F)F)nc2)CC1 ZINC000676557283 531139595 /nfs/dbraw/zinc/13/95/95/531139595.db2.gz PUEKHVCHFBHYBN-GFCCVEGCSA-N 1 2 382.408 0.743 10 0 GCAELO CC(C)N(Cc1[nH+]ccn1C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1 ZINC000011662600 204349329 /nfs/dbraw/zinc/34/93/29/204349329.db2.gz RRBVAAITGIZGSA-QGZVFWFLSA-N 1 2 384.484 0.943 10 0 GCAELO COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC000011935822 221139650 /nfs/dbraw/zinc/13/96/50/221139650.db2.gz MAXYQAKOWCUATK-MRXNPFEDSA-N 1 2 385.468 0.776 10 0 GCAELO C/C(=C/C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1)C[NH+]1CCOCC1 ZINC000912723534 639550099 /nfs/dbraw/zinc/55/00/99/639550099.db2.gz JOWSEGOVLPPDQQ-WQLSENKSSA-N 1 2 385.511 0.559 10 0 GCAELO Cn1cc[nH+]c1C[C@@H](NC(=S)NCCNS(C)(=O)=O)c1ccccc1 ZINC000743021141 640251480 /nfs/dbraw/zinc/25/14/80/640251480.db2.gz FCYUEEMTUXALLA-CQSZACIVSA-N 1 2 381.527 0.717 10 0 GCAELO Cn1cc[nH+]c1C[C@H](NC(=S)NCCNS(C)(=O)=O)c1ccccc1 ZINC000743021140 640251666 /nfs/dbraw/zinc/25/16/66/640251666.db2.gz FCYUEEMTUXALLA-AWEZNQCLSA-N 1 2 381.527 0.717 10 0 GCAELO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC[N@H+](CCO)CC1 ZINC000749099969 640336733 /nfs/dbraw/zinc/33/67/33/640336733.db2.gz VJZKBEXRZUWZEE-UHFFFAOYSA-N 1 2 376.910 0.741 10 0 GCAELO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC[N@@H+](CCO)CC1 ZINC000749099969 640336739 /nfs/dbraw/zinc/33/67/39/640336739.db2.gz VJZKBEXRZUWZEE-UHFFFAOYSA-N 1 2 376.910 0.741 10 0 GCAELO CS(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000796259130 641541023 /nfs/dbraw/zinc/54/10/23/641541023.db2.gz DEOYZBLBKXQDRQ-MRXNPFEDSA-N 1 2 390.527 0.385 10 0 GCAELO CS(=O)(=O)NCC1CC[NH+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000796259129 641541040 /nfs/dbraw/zinc/54/10/40/641541040.db2.gz DEOYZBLBKXQDRQ-INIZCTEOSA-N 1 2 390.527 0.385 10 0 GCAELO C/C(=C\C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1)C[NH+]1CCOCC1 ZINC000900438938 642087683 /nfs/dbraw/zinc/08/76/83/642087683.db2.gz JKILODFNMGOBRS-YVGNARHYSA-N 1 2 385.555 0.742 10 0 GCAELO O=C(c1cn2ccnc2s1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000188439827 1192264653 /nfs/dbraw/zinc/26/46/53/1192264653.db2.gz RKEPTVNYRWFQJW-UHFFFAOYSA-N 1 2 399.480 0.985 10 0 GCAELO O=C(c1cn2ccnc2s1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000188439827 1192264655 /nfs/dbraw/zinc/26/46/55/1192264655.db2.gz RKEPTVNYRWFQJW-UHFFFAOYSA-N 1 2 399.480 0.985 10 0 GCAELO CCc1oc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000122003936 1192337227 /nfs/dbraw/zinc/33/72/27/1192337227.db2.gz NHFUWQNCJJPBIS-UHFFFAOYSA-N 1 2 384.502 0.400 10 0 GCAELO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)Nc1ccc2[nH+]ccn2c1 ZINC000606582750 1192498613 /nfs/dbraw/zinc/49/86/13/1192498613.db2.gz BUVKNRYZEFUXPV-AWEZNQCLSA-N 1 2 381.458 0.944 10 0 GCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000547775845 1184546876 /nfs/dbraw/zinc/54/68/76/1184546876.db2.gz FGQKLAPQZJHGHR-HNNXBMFYSA-N 1 2 377.445 0.331 10 0 GCAELO Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510230501 1184626917 /nfs/dbraw/zinc/62/69/17/1184626917.db2.gz ULEMFAGFRWGMTO-UHFFFAOYSA-N 1 2 385.534 0.917 10 0 GCAELO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)CC1 ZINC000275520065 1184696641 /nfs/dbraw/zinc/69/66/41/1184696641.db2.gz MBGVYKSHEPKPDB-MRXNPFEDSA-N 1 2 391.516 0.940 10 0 GCAELO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)CC1 ZINC000275520065 1184696644 /nfs/dbraw/zinc/69/66/44/1184696644.db2.gz MBGVYKSHEPKPDB-MRXNPFEDSA-N 1 2 391.516 0.940 10 0 GCAELO CC1=CC[N@H+](CCNC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)CC1 ZINC000580024261 1184932948 /nfs/dbraw/zinc/93/29/48/1184932948.db2.gz PIMPDQFUFCGVKM-MRXNPFEDSA-N 1 2 381.502 0.553 10 0 GCAELO CC1=CC[N@@H+](CCNC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)CC1 ZINC000580024261 1184932952 /nfs/dbraw/zinc/93/29/52/1184932952.db2.gz PIMPDQFUFCGVKM-MRXNPFEDSA-N 1 2 381.502 0.553 10 0 GCAELO Cn1ccnc(N2CCC[C@H](NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)c1=O ZINC000275799401 1185076453 /nfs/dbraw/zinc/07/64/53/1185076453.db2.gz URGFEWJSAIZAES-HOTGVXAUSA-N 1 2 397.483 0.722 10 0 GCAELO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NC1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000581374587 1185623706 /nfs/dbraw/zinc/62/37/06/1185623706.db2.gz SGCSOKRJYOXALE-QRWLVFNGSA-N 1 2 388.468 0.573 10 0 GCAELO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NC1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000581374588 1185624442 /nfs/dbraw/zinc/62/44/42/1185624442.db2.gz SGCSOKRJYOXALE-YWZLYKJASA-N 1 2 388.468 0.573 10 0 GCAELO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000581374585 1185624465 /nfs/dbraw/zinc/62/44/65/1185624465.db2.gz SGCSOKRJYOXALE-FOIQADDNSA-N 1 2 388.468 0.573 10 0 GCAELO O=C(N[C@H]1CCOC2(CCC2)C1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000581514877 1185735450 /nfs/dbraw/zinc/73/54/50/1185735450.db2.gz MXKFGGPBTUWPEU-IRXDYDNUSA-N 1 2 379.501 0.918 10 0 GCAELO O=C(Nc1cc([C@H]2CCCO2)[nH]n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000684354402 1185799611 /nfs/dbraw/zinc/79/96/11/1185799611.db2.gz WCBPFQHNTRBPHP-DZGCQCFKSA-N 1 2 377.445 0.380 10 0 GCAELO CO[C@H]1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000472145999 1186388973 /nfs/dbraw/zinc/38/89/73/1186388973.db2.gz PHGRXDZTMXJZNT-HOTGVXAUSA-N 1 2 390.488 0.712 10 0 GCAELO CO[C@H]1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000472145999 1186388979 /nfs/dbraw/zinc/38/89/79/1186388979.db2.gz PHGRXDZTMXJZNT-HOTGVXAUSA-N 1 2 390.488 0.712 10 0 GCAELO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000582427497 1186528918 /nfs/dbraw/zinc/52/89/18/1186528918.db2.gz ZRRUTHBXXATQSO-UHFFFAOYSA-N 1 2 392.463 0.998 10 0 GCAELO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000066878833 1186589457 /nfs/dbraw/zinc/58/94/57/1186589457.db2.gz NVHFLHUKOYTODA-IRXDYDNUSA-N 1 2 387.546 0.902 10 0 GCAELO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000329447029 1186940763 /nfs/dbraw/zinc/94/07/63/1186940763.db2.gz LGEZSGZGSPCMIC-INIZCTEOSA-N 1 2 395.529 0.212 10 0 GCAELO O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](C2CC2)CC1 ZINC000299383687 1187435510 /nfs/dbraw/zinc/43/55/10/1187435510.db2.gz VYMKUCTWFHHUQB-UHFFFAOYSA-N 1 2 379.482 0.628 10 0 GCAELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000181173326 1187996931 /nfs/dbraw/zinc/99/69/31/1187996931.db2.gz QLLAGXLWZMWGNT-AWEZNQCLSA-N 1 2 398.504 0.946 10 0 GCAELO CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)cc21 ZINC000416667788 1189568284 /nfs/dbraw/zinc/56/82/84/1189568284.db2.gz PYJBTRSZXVJWDO-ZIAGYGMSSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)cc21 ZINC000416667788 1189568289 /nfs/dbraw/zinc/56/82/89/1189568289.db2.gz PYJBTRSZXVJWDO-ZIAGYGMSSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCN=C4C3=NNN4C)c2)CC1 ZINC000613765330 1189972290 /nfs/dbraw/zinc/97/22/90/1189972290.db2.gz BKNUHWOECUCFCR-KRWDZBQOSA-N 1 2 397.483 0.514 10 0 GCAELO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000280367001 1193989090 /nfs/dbraw/zinc/98/90/90/1193989090.db2.gz UYNYICLWSWBVCG-GOSISDBHSA-N 1 2 389.456 0.451 10 0 GCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000434480852 1194847357 /nfs/dbraw/zinc/84/73/57/1194847357.db2.gz OJVCTAWQWAQWJD-ZDUSSCGKSA-N 1 2 389.456 0.316 10 0 GCAELO C[C@@H]1CCc2nc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)sc2C1 ZINC000435047685 1194885089 /nfs/dbraw/zinc/88/50/89/1194885089.db2.gz CCHPMQHNUVQGJJ-OLZOCXBDSA-N 1 2 396.513 0.358 10 0 GCAELO c1nc(NCCc2nnc3n2CCC3)cc(NCCc2nnc3n2CCC3)[nH+]1 ZINC000436182311 1194989835 /nfs/dbraw/zinc/98/98/35/1194989835.db2.gz GOYDEJQQZSRXNO-UHFFFAOYSA-N 1 2 380.460 0.861 10 0 GCAELO C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436299396 1194995240 /nfs/dbraw/zinc/99/52/40/1194995240.db2.gz FVKQBPWSQVVMGA-WIYYLYMNSA-N 1 2 385.464 0.617 10 0 GCAELO C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436299396 1194995242 /nfs/dbraw/zinc/99/52/42/1194995242.db2.gz FVKQBPWSQVVMGA-WIYYLYMNSA-N 1 2 385.464 0.617 10 0 GCAELO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCOC[C@@H](O)C3)CC2)c(F)c1 ZINC000295529680 1195283530 /nfs/dbraw/zinc/28/35/30/1195283530.db2.gz IWSUOSLAXCTRJH-INIZCTEOSA-N 1 2 379.432 0.370 10 0 GCAELO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCOC[C@@H](O)C3)CC2)c(F)c1 ZINC000295529680 1195283538 /nfs/dbraw/zinc/28/35/38/1195283538.db2.gz IWSUOSLAXCTRJH-INIZCTEOSA-N 1 2 379.432 0.370 10 0 GCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000440998236 1195595519 /nfs/dbraw/zinc/59/55/19/1195595519.db2.gz MNJNPSIXPRAHCL-INIZCTEOSA-N 1 2 377.441 0.102 10 0 GCAELO Cc1cnn(-c2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2F)c1 ZINC000190029962 1195755639 /nfs/dbraw/zinc/75/56/39/1195755639.db2.gz DFFUSMCXBMIBHK-AWEZNQCLSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1cnn(-c2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2F)c1 ZINC000190029962 1195755643 /nfs/dbraw/zinc/75/56/43/1195755643.db2.gz DFFUSMCXBMIBHK-AWEZNQCLSA-N 1 2 389.431 0.783 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC(CCO)C2)CC1 ZINC000442029702 1195945287 /nfs/dbraw/zinc/94/52/87/1195945287.db2.gz LHBLOPGGZJZEFM-UHFFFAOYSA-N 1 2 388.468 0.130 10 0 GCAELO NS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000443493347 1196061475 /nfs/dbraw/zinc/06/14/75/1196061475.db2.gz RIHISTXGYIFOKS-INIZCTEOSA-N 1 2 377.470 0.894 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)C2 ZINC000474895982 1196189485 /nfs/dbraw/zinc/18/94/85/1196189485.db2.gz BUPPAVVMBOXYIW-OLZOCXBDSA-N 1 2 383.518 0.670 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)CC2 ZINC000474895982 1196189486 /nfs/dbraw/zinc/18/94/86/1196189486.db2.gz BUPPAVVMBOXYIW-OLZOCXBDSA-N 1 2 383.518 0.670 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(F)cc2)CC[N@@H+]1CCO ZINC000192076907 1196212425 /nfs/dbraw/zinc/21/24/25/1196212425.db2.gz NXWBSEGNYAGONC-CQSZACIVSA-N 1 2 389.431 0.534 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(F)cc2)CC[N@H+]1CCO ZINC000192076907 1196212428 /nfs/dbraw/zinc/21/24/28/1196212428.db2.gz NXWBSEGNYAGONC-CQSZACIVSA-N 1 2 389.431 0.534 10 0 GCAELO CC(=O)N(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522804986 1196334540 /nfs/dbraw/zinc/33/45/40/1196334540.db2.gz CWZZPOJPYWHYLM-INIZCTEOSA-N 1 2 388.468 0.789 10 0 GCAELO Cn1ccnc(N2CCC[C@@H](NC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)c1=O ZINC000281826632 1196338415 /nfs/dbraw/zinc/33/84/15/1196338415.db2.gz LPHKUOZZHSNLAK-NVXWUHKLSA-N 1 2 389.500 0.509 10 0 GCAELO Cn1ccnc(N2CCC[C@@H](NC(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)c1=O ZINC000281826632 1196338419 /nfs/dbraw/zinc/33/84/19/1196338419.db2.gz LPHKUOZZHSNLAK-NVXWUHKLSA-N 1 2 389.500 0.509 10 0 GCAELO CCO[C@H]1C[C@](NCC(=O)NCC(C)(C)[NH+]2CCOCC2)(C(=O)OC)C1(C)C ZINC000444785166 1196522793 /nfs/dbraw/zinc/52/27/93/1196522793.db2.gz PWNVUEDLXVIZIX-YWZLYKJASA-N 1 2 399.532 0.550 10 0 GCAELO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000446816877 1196673301 /nfs/dbraw/zinc/67/33/01/1196673301.db2.gz FKTDBHSCWRCUML-HZPDHXFCSA-N 1 2 375.473 0.802 10 0 GCAELO CC(=O)[C@@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000450324850 1196924748 /nfs/dbraw/zinc/92/47/48/1196924748.db2.gz RKLRZEMIPOIKLS-SFHVURJKSA-N 1 2 398.481 0.494 10 0 GCAELO CC(=O)[C@@](C)(O)C[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000450324850 1196924749 /nfs/dbraw/zinc/92/47/49/1196924749.db2.gz RKLRZEMIPOIKLS-SFHVURJKSA-N 1 2 398.481 0.494 10 0 GCAELO CCOC(=O)[C@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC12COC2 ZINC000450572826 1196940761 /nfs/dbraw/zinc/94/07/61/1196940761.db2.gz VLSCKNDTEKIUFX-LSDHHAIUSA-N 1 2 376.457 0.844 10 0 GCAELO C/C=C\C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OCC ZINC000450914013 1196960913 /nfs/dbraw/zinc/96/09/13/1196960913.db2.gz NBXLUHSJFDSEIW-OZXVRYSVSA-N 1 2 381.473 0.181 10 0 GCAELO C/C=C\C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OCC ZINC000450914015 1196961096 /nfs/dbraw/zinc/96/10/96/1196961096.db2.gz NBXLUHSJFDSEIW-WLYXZUNZSA-N 1 2 381.473 0.181 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CCOc2cccc(S(C)(=O)=O)c2)CC12COC2 ZINC000451142314 1196973007 /nfs/dbraw/zinc/97/30/07/1196973007.db2.gz WGPZSBLIBUOQPN-MRXNPFEDSA-N 1 2 383.466 0.980 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)CC12COC2 ZINC000451142314 1196973009 /nfs/dbraw/zinc/97/30/09/1196973009.db2.gz WGPZSBLIBUOQPN-MRXNPFEDSA-N 1 2 383.466 0.980 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(C)c2ccccc2C(=O)OC)CC12COC2 ZINC000451131935 1196974123 /nfs/dbraw/zinc/97/41/23/1196974123.db2.gz HVTDYHFRLSWWRU-HNNXBMFYSA-N 1 2 390.436 0.948 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)c2ccccc2C(=O)OC)CC12COC2 ZINC000451131935 1196974126 /nfs/dbraw/zinc/97/41/26/1196974126.db2.gz HVTDYHFRLSWWRU-HNNXBMFYSA-N 1 2 390.436 0.948 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC12COC2 ZINC000451144056 1196975200 /nfs/dbraw/zinc/97/52/00/1196975200.db2.gz XNAOLDBEPMIKBL-MRXNPFEDSA-N 1 2 389.452 0.838 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC12COC2 ZINC000451144056 1196975201 /nfs/dbraw/zinc/97/52/01/1196975201.db2.gz XNAOLDBEPMIKBL-MRXNPFEDSA-N 1 2 389.452 0.838 10 0 GCAELO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451145308 1196975430 /nfs/dbraw/zinc/97/54/30/1196975430.db2.gz YRYLZKJQCCCXIP-CYBMUJFWSA-N 1 2 394.428 0.047 10 0 GCAELO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451145308 1196975432 /nfs/dbraw/zinc/97/54/32/1196975432.db2.gz YRYLZKJQCCCXIP-CYBMUJFWSA-N 1 2 394.428 0.047 10 0 GCAELO CS(=O)(=O)NCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000171829027 1197158732 /nfs/dbraw/zinc/15/87/32/1197158732.db2.gz MQTJRNHUPDGMLI-LBPRGKRZSA-N 1 2 390.456 0.778 10 0 GCAELO CS(=O)(=O)NCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000171829027 1197158736 /nfs/dbraw/zinc/15/87/36/1197158736.db2.gz MQTJRNHUPDGMLI-LBPRGKRZSA-N 1 2 390.456 0.778 10 0 GCAELO CCCCn1c2nc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)n(C)c2c(=O)[nH]c1=O ZINC000172043204 1197159887 /nfs/dbraw/zinc/15/98/87/1197159887.db2.gz MEHHRURXAWXFQQ-OCZCAGDBSA-N 1 2 375.473 0.816 10 0 GCAELO CCCCn1c2nc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4O)n(C)c2c(=O)[nH]c1=O ZINC000172043204 1197159888 /nfs/dbraw/zinc/15/98/88/1197159888.db2.gz MEHHRURXAWXFQQ-OCZCAGDBSA-N 1 2 375.473 0.816 10 0 GCAELO O=C(CN1CCN(Cc2ccccc2)CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174166762 1197180088 /nfs/dbraw/zinc/18/00/88/1197180088.db2.gz UMWOCCLYQQAFOJ-OAQYLSRUSA-N 1 2 386.540 0.985 10 0 GCAELO CN(C)C(=O)c1cc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1C ZINC000181389254 1197204367 /nfs/dbraw/zinc/20/43/67/1197204367.db2.gz LUCUAJSGQNFYAH-ZDUSSCGKSA-N 1 2 377.470 0.679 10 0 GCAELO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cn(-c2ccccc2)nn1 ZINC000185460520 1197214234 /nfs/dbraw/zinc/21/42/34/1197214234.db2.gz BKQLULRQVJKLGX-CYBMUJFWSA-N 1 2 375.458 0.630 10 0 GCAELO C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+]1CCO ZINC000187725398 1197231961 /nfs/dbraw/zinc/23/19/61/1197231961.db2.gz UOTDZTAOHLRHSW-SFHVURJKSA-N 1 2 382.549 0.136 10 0 GCAELO C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCN1CCO ZINC000187725398 1197231969 /nfs/dbraw/zinc/23/19/69/1197231969.db2.gz UOTDZTAOHLRHSW-SFHVURJKSA-N 1 2 382.549 0.136 10 0 GCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000116889732 1197338124 /nfs/dbraw/zinc/33/81/24/1197338124.db2.gz XZYDZKWYYIQCTL-CYBMUJFWSA-N 1 2 376.482 0.676 10 0 GCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000116889732 1197338128 /nfs/dbraw/zinc/33/81/28/1197338128.db2.gz XZYDZKWYYIQCTL-CYBMUJFWSA-N 1 2 376.482 0.676 10 0 GCAELO C[C@H]([C@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)[NH+]1CCOCC1 ZINC000332810786 1197344271 /nfs/dbraw/zinc/34/42/71/1197344271.db2.gz XBULAAVKMCUFQU-GVDBMIGSSA-N 1 2 382.505 0.376 10 0 GCAELO CNC(=O)C[NH+](CC(=O)NC)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000047045515 1197365162 /nfs/dbraw/zinc/36/51/62/1197365162.db2.gz AHKHWUHBOJAKBF-UHFFFAOYSA-N 1 2 387.406 0.863 10 0 GCAELO CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245615921 1197415188 /nfs/dbraw/zinc/41/51/88/1197415188.db2.gz VDVJSCBJZQEOOV-CRAIPNDOSA-N 1 2 398.866 0.983 10 0 GCAELO CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245615921 1197415191 /nfs/dbraw/zinc/41/51/91/1197415191.db2.gz VDVJSCBJZQEOOV-CRAIPNDOSA-N 1 2 398.866 0.983 10 0 GCAELO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246046212 1197444167 /nfs/dbraw/zinc/44/41/67/1197444167.db2.gz ARMPCOLHUQTRFW-YOEHRIQHSA-N 1 2 384.839 0.593 10 0 GCAELO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246046212 1197444170 /nfs/dbraw/zinc/44/41/70/1197444170.db2.gz ARMPCOLHUQTRFW-YOEHRIQHSA-N 1 2 384.839 0.593 10 0 GCAELO Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261672059 1197511150 /nfs/dbraw/zinc/51/11/50/1197511150.db2.gz JGQCBFHEQXUCPX-MRXNPFEDSA-N 1 2 385.453 0.607 10 0 GCAELO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1 ZINC000262123766 1197525333 /nfs/dbraw/zinc/52/53/33/1197525333.db2.gz XLVKBDUFUBSDLS-HNNXBMFYSA-N 1 2 398.510 0.549 10 0 GCAELO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262977102 1197539842 /nfs/dbraw/zinc/53/98/42/1197539842.db2.gz MJYZAAUKHBYQBW-CQSZACIVSA-N 1 2 389.424 0.321 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@]2(CCCOC2)O1 ZINC000672138846 1199132340 /nfs/dbraw/zinc/13/23/40/1199132340.db2.gz DVVZTTPEEHAAQJ-LIRRHRJNSA-N 1 2 376.457 0.632 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@]2(CCCOC2)O1 ZINC000672138843 1199132498 /nfs/dbraw/zinc/13/24/98/1199132498.db2.gz DVVZTTPEEHAAQJ-AUUYWEPGSA-N 1 2 376.457 0.632 10 0 GCAELO Cc1nc(N2CCN(C(=O)C(=O)NCc3nn(C)c4ccccc34)CC2)cc[nH+]1 ZINC000672548423 1199266891 /nfs/dbraw/zinc/26/68/91/1199266891.db2.gz HJSGUAIGLYGYSF-UHFFFAOYSA-N 1 2 393.451 0.637 10 0 GCAELO CNS(=O)(=O)c1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000672637028 1199288836 /nfs/dbraw/zinc/28/88/36/1199288836.db2.gz QFYQCXUKPKWDLV-UKRRQHHQSA-N 1 2 382.486 0.922 10 0 GCAELO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673851125 1199959991 /nfs/dbraw/zinc/95/99/91/1199959991.db2.gz YOXOERPCYDVTBY-INIZCTEOSA-N 1 2 375.473 0.841 10 0 GCAELO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)C1 ZINC000611431347 1201236850 /nfs/dbraw/zinc/23/68/50/1201236850.db2.gz RPSYDCIRHUHJMT-ZBFHGGJFSA-N 1 2 392.504 0.421 10 0 GCAELO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)CC1 ZINC000611431287 1201237032 /nfs/dbraw/zinc/23/70/32/1201237032.db2.gz JFOYXPZBZKRKNE-CYBMUJFWSA-N 1 2 378.477 0.031 10 0 GCAELO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000497019723 1201333836 /nfs/dbraw/zinc/33/38/36/1201333836.db2.gz SEOJSLHUGQBRQH-UHFFFAOYSA-N 1 2 377.470 0.599 10 0 GCAELO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000497019723 1201333844 /nfs/dbraw/zinc/33/38/44/1201333844.db2.gz SEOJSLHUGQBRQH-UHFFFAOYSA-N 1 2 377.470 0.599 10 0 GCAELO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2=COCCC2)CC1 ZINC000730853163 1201466414 /nfs/dbraw/zinc/46/64/14/1201466414.db2.gz YNFUUKDXBRDZKU-UHFFFAOYSA-N 1 2 386.412 0.249 10 0 GCAELO COC(OC)C(=O)N1CC[NH+](CCc2c(C)nc3sccn3c2=O)CC1 ZINC000824229291 1201639913 /nfs/dbraw/zinc/63/99/13/1201639913.db2.gz CCMZCEPVIBAEQN-UHFFFAOYSA-N 1 2 380.470 0.370 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000735197232 1201682899 /nfs/dbraw/zinc/68/28/99/1201682899.db2.gz CFHXDHNTISVDGW-AREMUKBSSA-N 1 2 380.514 0.257 10 0 GCAELO CCNS(=O)(=O)CCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743602063 1201821283 /nfs/dbraw/zinc/82/12/83/1201821283.db2.gz CTIIRZNADZVODN-OAHLLOKOSA-N 1 2 379.486 0.942 10 0 GCAELO CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000804747220 1205522617 /nfs/dbraw/zinc/52/26/17/1205522617.db2.gz INRJGJNMHDGWMP-UHFFFAOYSA-N 1 2 377.445 0.851 10 0 GCAELO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000805476995 1205537191 /nfs/dbraw/zinc/53/71/91/1205537191.db2.gz DNBUHHYEYZAAHU-AWEZNQCLSA-N 1 2 388.417 0.432 10 0 GCAELO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000805476995 1205537193 /nfs/dbraw/zinc/53/71/93/1205537193.db2.gz DNBUHHYEYZAAHU-AWEZNQCLSA-N 1 2 388.417 0.432 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)NCC[S@@](=O)CC)CC[N@@H+]1Cc1ccccc1 ZINC000805606712 1205540471 /nfs/dbraw/zinc/54/04/71/1205540471.db2.gz LIXVGRSXVZKXJU-QUGAMOGWSA-N 1 2 379.526 0.994 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)NCC[S@@](=O)CC)CC[N@H+]1Cc1ccccc1 ZINC000805606712 1205540472 /nfs/dbraw/zinc/54/04/72/1205540472.db2.gz LIXVGRSXVZKXJU-QUGAMOGWSA-N 1 2 379.526 0.994 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000805620025 1205541535 /nfs/dbraw/zinc/54/15/35/1205541535.db2.gz MGUCLEAIDNBTAA-SANMLTNESA-N 1 2 379.526 0.994 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000805620025 1205541538 /nfs/dbraw/zinc/54/15/38/1205541538.db2.gz MGUCLEAIDNBTAA-SANMLTNESA-N 1 2 379.526 0.994 10 0 GCAELO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCO1 ZINC000806666083 1205563614 /nfs/dbraw/zinc/56/36/14/1205563614.db2.gz SONIRWDEDPCNJD-HUUCEWRRSA-N 1 2 388.534 0.211 10 0 GCAELO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCO1 ZINC000806666083 1205563616 /nfs/dbraw/zinc/56/36/16/1205563616.db2.gz SONIRWDEDPCNJD-HUUCEWRRSA-N 1 2 388.534 0.211 10 0 GCAELO CN(C[C@@H]1CC=CCC1)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805376342 1205639671 /nfs/dbraw/zinc/63/96/71/1205639671.db2.gz UFJBHNBQGHKVRW-OAHLLOKOSA-N 1 2 385.530 0.426 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000774914572 1205927531 /nfs/dbraw/zinc/92/75/31/1205927531.db2.gz ANOMDFORMZTTQR-JWIGPWBQSA-N 1 2 395.525 0.833 10 0 GCAELO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H]2CCCO2)C1 ZINC000536342468 530182107 /nfs/dbraw/zinc/18/21/07/530182107.db2.gz TZMJLTJWKMAJEC-NXOAAHMSSA-N 1 2 377.503 0.211 10 0 GCAELO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H]2CCCO2)C1 ZINC000536342468 530182109 /nfs/dbraw/zinc/18/21/09/530182109.db2.gz TZMJLTJWKMAJEC-NXOAAHMSSA-N 1 2 377.503 0.211 10 0 GCAELO COc1ccc(Br)cc1CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132485151 530290760 /nfs/dbraw/zinc/29/07/60/530290760.db2.gz QPTBJLJZEDQEHM-AWEZNQCLSA-N 1 2 387.274 0.810 10 0 GCAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000118115128 530267124 /nfs/dbraw/zinc/26/71/24/530267124.db2.gz ZKDVGBDGJBROFJ-CYBMUJFWSA-N 1 2 382.258 0.785 10 0 GCAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000118115128 530267126 /nfs/dbraw/zinc/26/71/26/530267126.db2.gz ZKDVGBDGJBROFJ-CYBMUJFWSA-N 1 2 382.258 0.785 10 0 GCAELO CO[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)N(S(C)(=O)=O)C1 ZINC000329888201 530303958 /nfs/dbraw/zinc/30/39/58/530303958.db2.gz YMSVIICPBAOFTB-DZGCQCFKSA-N 1 2 387.527 0.441 10 0 GCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(I)cc1 ZINC000154106472 530317675 /nfs/dbraw/zinc/31/76/75/530317675.db2.gz FVQIJJNXUSXHPQ-CYBMUJFWSA-N 1 2 390.221 0.714 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000180257067 530369327 /nfs/dbraw/zinc/36/93/27/530369327.db2.gz IUNWFCAJALKYNJ-FZMZJTMJSA-N 1 2 397.273 0.962 10 0 GCAELO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000181905118 530372340 /nfs/dbraw/zinc/37/23/40/530372340.db2.gz MZMNAIBVDGGYPJ-UHFFFAOYSA-N 1 2 380.392 0.589 10 0 GCAELO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000283036578 530376597 /nfs/dbraw/zinc/37/65/97/530376597.db2.gz GKXZWDYRYFHFHP-STQMWFEESA-N 1 2 388.511 0.956 10 0 GCAELO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000283036578 530376599 /nfs/dbraw/zinc/37/65/99/530376599.db2.gz GKXZWDYRYFHFHP-STQMWFEESA-N 1 2 388.511 0.956 10 0 GCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(I)cc1 ZINC000185148739 530376793 /nfs/dbraw/zinc/37/67/93/530376793.db2.gz WQVJJIOIFJETEC-VXGBXAGGSA-N 1 2 376.194 0.657 10 0 GCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(I)cc1 ZINC000185148739 530376794 /nfs/dbraw/zinc/37/67/94/530376794.db2.gz WQVJJIOIFJETEC-VXGBXAGGSA-N 1 2 376.194 0.657 10 0 GCAELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185931626 530377952 /nfs/dbraw/zinc/37/79/52/530377952.db2.gz LREGQBZWOLRHAX-GFCCVEGCSA-N 1 2 391.287 0.993 10 0 GCAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185931626 530377954 /nfs/dbraw/zinc/37/79/54/530377954.db2.gz LREGQBZWOLRHAX-GFCCVEGCSA-N 1 2 391.287 0.993 10 0 GCAELO C[N@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)CC1(CO)CC1 ZINC000186783485 530379763 /nfs/dbraw/zinc/37/97/63/530379763.db2.gz QFMRCJXMILMVBV-CQSZACIVSA-N 1 2 386.539 0.968 10 0 GCAELO C[N@@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)CC1(CO)CC1 ZINC000186783485 530379765 /nfs/dbraw/zinc/37/97/65/530379765.db2.gz QFMRCJXMILMVBV-CQSZACIVSA-N 1 2 386.539 0.968 10 0 GCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(Br)ncc1Cl ZINC000187277747 530380582 /nfs/dbraw/zinc/38/05/82/530380582.db2.gz NEHYWYUMARAEAM-SECBINFHSA-N 1 2 378.654 0.920 10 0 GCAELO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)[C@@H]2C1 ZINC000408147125 530411433 /nfs/dbraw/zinc/41/14/33/530411433.db2.gz ZVOPIDYIBZWWIK-SMDDNHRTSA-N 1 2 391.490 0.912 10 0 GCAELO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)[C@@H]2C1 ZINC000408147125 530411435 /nfs/dbraw/zinc/41/14/35/530411435.db2.gz ZVOPIDYIBZWWIK-SMDDNHRTSA-N 1 2 391.490 0.912 10 0 GCAELO CS(=O)(=O)NCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000171871374 530598806 /nfs/dbraw/zinc/59/88/06/530598806.db2.gz NLYFEFKYFJREHD-LBPRGKRZSA-N 1 2 375.441 0.985 10 0 GCAELO CS(=O)(=O)NCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000171871374 530598809 /nfs/dbraw/zinc/59/88/09/530598809.db2.gz NLYFEFKYFJREHD-LBPRGKRZSA-N 1 2 375.441 0.985 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@H](C)O1 ZINC000329007421 530605111 /nfs/dbraw/zinc/60/51/11/530605111.db2.gz NKIPMWQGSLFXDM-ZNMIVQPWSA-N 1 2 379.548 0.138 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000330178656 530628816 /nfs/dbraw/zinc/62/88/16/530628816.db2.gz DWJZRCTWMVOIRC-YQQAZPJKSA-N 1 2 375.535 0.494 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000330178656 530628818 /nfs/dbraw/zinc/62/88/18/530628818.db2.gz DWJZRCTWMVOIRC-YQQAZPJKSA-N 1 2 375.535 0.494 10 0 GCAELO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000367231011 530695394 /nfs/dbraw/zinc/69/53/94/530695394.db2.gz LVQPWJRFLROWBD-HOTGVXAUSA-N 1 2 376.519 0.196 10 0 GCAELO COC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000472593138 530706602 /nfs/dbraw/zinc/70/66/02/530706602.db2.gz SABMWQGCIVSDSH-JTQLQIEISA-N 1 2 389.861 0.811 10 0 GCAELO COC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000472593138 530706605 /nfs/dbraw/zinc/70/66/05/530706605.db2.gz SABMWQGCIVSDSH-JTQLQIEISA-N 1 2 389.861 0.811 10 0 GCAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)s1 ZINC000110940699 530830488 /nfs/dbraw/zinc/83/04/88/530830488.db2.gz BSJYXKNALCDEEN-OAHLLOKOSA-N 1 2 386.543 0.910 10 0 GCAELO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](O)CN1CCCC1=O ZINC000111690217 530833514 /nfs/dbraw/zinc/83/35/14/530833514.db2.gz KJTLUMMGDPIHRU-LBPRGKRZSA-N 1 2 385.262 0.698 10 0 GCAELO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](O)CN1CCCC1=O ZINC000111690217 530833517 /nfs/dbraw/zinc/83/35/17/530833517.db2.gz KJTLUMMGDPIHRU-LBPRGKRZSA-N 1 2 385.262 0.698 10 0 GCAELO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)CN1CCCC1=O ZINC000111690219 530833626 /nfs/dbraw/zinc/83/36/26/530833626.db2.gz KJTLUMMGDPIHRU-GFCCVEGCSA-N 1 2 385.262 0.698 10 0 GCAELO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)CN1CCCC1=O ZINC000111690219 530833629 /nfs/dbraw/zinc/83/36/29/530833629.db2.gz KJTLUMMGDPIHRU-GFCCVEGCSA-N 1 2 385.262 0.698 10 0 GCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc(F)cc1Br ZINC000178962190 530851898 /nfs/dbraw/zinc/85/18/98/530851898.db2.gz SBFQPGIAKRKSHV-LLVKDONJSA-N 1 2 385.237 0.643 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179524895 530853028 /nfs/dbraw/zinc/85/30/28/530853028.db2.gz XAQGLNKMTLKHAT-OLZOCXBDSA-N 1 2 378.857 0.812 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179524895 530853031 /nfs/dbraw/zinc/85/30/31/530853031.db2.gz XAQGLNKMTLKHAT-OLZOCXBDSA-N 1 2 378.857 0.812 10 0 GCAELO O=S(=O)([C@H]1CC[N@H+](Cc2cnc(N3CCOCC3)s2)C1)N1CCCC1 ZINC000180743525 530853521 /nfs/dbraw/zinc/85/35/21/530853521.db2.gz OUWLJWCTQXHRTP-HNNXBMFYSA-N 1 2 386.543 0.980 10 0 GCAELO O=S(=O)([C@H]1CC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1)N1CCCC1 ZINC000180743525 530853523 /nfs/dbraw/zinc/85/35/23/530853523.db2.gz OUWLJWCTQXHRTP-HNNXBMFYSA-N 1 2 386.543 0.980 10 0 GCAELO C[C@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000185098046 530855651 /nfs/dbraw/zinc/85/56/51/530855651.db2.gz ZCXITNCLGOTWFF-AAEUAGOBSA-N 1 2 382.408 0.787 10 0 GCAELO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000187925357 530864185 /nfs/dbraw/zinc/86/41/85/530864185.db2.gz FGHLODHLNSHJPX-NSHDSACASA-N 1 2 399.264 0.951 10 0 GCAELO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1F ZINC000193206029 530869333 /nfs/dbraw/zinc/86/93/33/530869333.db2.gz NTAUZTFNZWPZEP-NSHDSACASA-N 1 2 399.264 0.951 10 0 GCAELO CS(=O)(=O)NCC1CC[NH+](CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000510176908 530924407 /nfs/dbraw/zinc/92/44/07/530924407.db2.gz QQXUWHCNGPZWJO-UHFFFAOYSA-N 1 2 390.527 0.730 10 0 GCAELO COCCCS(=O)(=O)NCCN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000175187401 530948641 /nfs/dbraw/zinc/94/86/41/530948641.db2.gz JYFXGZFJCSLGRC-UHFFFAOYSA-N 1 2 376.548 0.525 10 0 GCAELO CS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261660955 530989633 /nfs/dbraw/zinc/98/96/33/530989633.db2.gz IHKUAJGJAZCGHF-MRXNPFEDSA-N 1 2 381.479 0.820 10 0 GCAELO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261783530 530990176 /nfs/dbraw/zinc/99/01/76/530990176.db2.gz UENKCGYSDSVOST-HNNXBMFYSA-N 1 2 382.467 0.064 10 0 GCAELO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCSC[C@@H]1CCO ZINC000538187704 531030838 /nfs/dbraw/zinc/03/08/38/531030838.db2.gz LBAAGRDNYGIILF-GOEBONIOSA-N 1 2 375.560 0.704 10 0 GCAELO C[N@H+](C[C@H](O)CN1CCCC1=O)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245907645 531132451 /nfs/dbraw/zinc/13/24/51/531132451.db2.gz VBOZQUQKQBJXEU-DZGCQCFKSA-N 1 2 384.274 0.891 10 0 GCAELO C[N@@H+](C[C@H](O)CN1CCCC1=O)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245907645 531132453 /nfs/dbraw/zinc/13/24/53/531132453.db2.gz VBOZQUQKQBJXEU-DZGCQCFKSA-N 1 2 384.274 0.891 10 0 GCAELO NC(=O)c1ncc(Br)cc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000680330644 531160439 /nfs/dbraw/zinc/16/04/39/531160439.db2.gz PAAYKBVUODKRGG-UHFFFAOYSA-N 1 2 396.289 0.687 10 0 GCAELO O=C(C[NH+]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCOCC1 ZINC000014713172 209173603 /nfs/dbraw/zinc/17/36/03/209173603.db2.gz IFHNWAZXYWHMEC-UHFFFAOYSA-N 1 2 399.377 0.124 10 0 GCAELO Cc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1C ZINC000575766027 570419490 /nfs/dbraw/zinc/41/94/90/570419490.db2.gz KLPDHNKPFBUQJN-INIZCTEOSA-N 1 2 398.511 0.910 10 0 GCAELO C/C(=C/C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C[NH+]1CCOCC1 ZINC000908125915 639440287 /nfs/dbraw/zinc/44/02/87/639440287.db2.gz SGQMSJJPNNNIKA-KGTBHZDVSA-N 1 2 387.424 0.203 10 0 GCAELO C[C@@H]1C[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C[C@H](C(N)=O)O1 ZINC000124311075 641496844 /nfs/dbraw/zinc/49/68/44/641496844.db2.gz UTUVUIPOVQQIPM-BXKDBHETSA-N 1 2 381.230 0.691 10 0 GCAELO C[C@@H]1C[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C[C@H](C(N)=O)O1 ZINC000124311075 641496851 /nfs/dbraw/zinc/49/68/51/641496851.db2.gz UTUVUIPOVQQIPM-BXKDBHETSA-N 1 2 381.230 0.691 10 0 GCAELO Cn1nc(C(F)(F)F)c(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1Cl ZINC000828589461 641887541 /nfs/dbraw/zinc/88/75/41/641887541.db2.gz ISPMHFNGMKOBEB-MRVPVSSYSA-N 1 2 385.774 0.907 10 0 GCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(Br)n1 ZINC000190030618 642054594 /nfs/dbraw/zinc/05/45/94/642054594.db2.gz QOUBEGDBEHRJHF-NSHDSACASA-N 1 2 385.262 0.616 10 0 GCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(Br)n1 ZINC000190030618 642054599 /nfs/dbraw/zinc/05/45/99/642054599.db2.gz QOUBEGDBEHRJHF-NSHDSACASA-N 1 2 385.262 0.616 10 0 GCAELO C[C@H](NC(=O)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1)C(=O)N(C)C ZINC000051562544 1192313355 /nfs/dbraw/zinc/31/33/55/1192313355.db2.gz PNRWRJWLXMMVKW-HNNXBMFYSA-N 1 2 396.919 0.929 10 0 GCAELO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000408240442 1192328057 /nfs/dbraw/zinc/32/80/57/1192328057.db2.gz CVWBOHKRDOOMBI-UHFFFAOYSA-N 1 2 384.546 0.590 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)[C@@H](C)CO)cc2)CC1 ZINC000549792670 1192884082 /nfs/dbraw/zinc/88/40/82/1192884082.db2.gz KHIRKUOYGJLKNI-AWEZNQCLSA-N 1 2 376.457 0.128 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000332737090 1184746069 /nfs/dbraw/zinc/74/60/69/1184746069.db2.gz ZERNYDCGXHKTTM-BYCMXARLSA-N 1 2 388.440 0.782 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000332737090 1184746073 /nfs/dbraw/zinc/74/60/73/1184746073.db2.gz ZERNYDCGXHKTTM-BYCMXARLSA-N 1 2 388.440 0.782 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)CO)c2)CC1 ZINC000275681265 1184919458 /nfs/dbraw/zinc/91/94/58/1184919458.db2.gz PJXDOSVTZSLTLB-LSDHHAIUSA-N 1 2 390.484 0.422 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@H](C)CO)c2)CC1 ZINC000275681262 1184919478 /nfs/dbraw/zinc/91/94/78/1184919478.db2.gz PJXDOSVTZSLTLB-HUUCEWRRSA-N 1 2 390.484 0.422 10 0 GCAELO O=C(N[C@@H]1CCOC2(CCC2)C1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000581514878 1185735236 /nfs/dbraw/zinc/73/52/36/1185735236.db2.gz MXKFGGPBTUWPEU-SJORKVTESA-N 1 2 379.501 0.918 10 0 GCAELO O=C(Nc1cc([C@H]2CCCO2)[nH]n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000684354488 1185800393 /nfs/dbraw/zinc/80/03/93/1185800393.db2.gz WCBPFQHNTRBPHP-UKRRQHHQSA-N 1 2 377.445 0.380 10 0 GCAELO O=C(CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)Nc1ccccc1 ZINC000046512173 1186397953 /nfs/dbraw/zinc/39/79/53/1186397953.db2.gz IPQKIYPYPPCELY-UHFFFAOYSA-N 1 2 382.486 0.210 10 0 GCAELO COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC2)nn1 ZINC000582516227 1186556051 /nfs/dbraw/zinc/55/60/51/1186556051.db2.gz BFHNDOFBLWRRED-UHFFFAOYSA-N 1 2 397.395 0.515 10 0 GCAELO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000569816691 1187456007 /nfs/dbraw/zinc/45/60/07/1187456007.db2.gz CDFLWHIRHYDOTH-YJBOKZPZSA-N 1 2 386.452 0.546 10 0 GCAELO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000584487384 1187517957 /nfs/dbraw/zinc/51/79/57/1187517957.db2.gz BJXNYCVURRPCQC-MRXNPFEDSA-N 1 2 377.404 0.872 10 0 GCAELO CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)cc2C1 ZINC000659980493 1189501036 /nfs/dbraw/zinc/50/10/36/1189501036.db2.gz WFNHDNSDCCOACI-KBPBESRZSA-N 1 2 381.498 0.624 10 0 GCAELO CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)cc2C1 ZINC000659980493 1189501039 /nfs/dbraw/zinc/50/10/39/1189501039.db2.gz WFNHDNSDCCOACI-KBPBESRZSA-N 1 2 381.498 0.624 10 0 GCAELO C(C[C@@H]1CCOC1)Nc1nc(N2CCOCC2)nc(NCC[C@H]2CCOC2)[nH+]1 ZINC000544139895 1189897588 /nfs/dbraw/zinc/89/75/88/1189897588.db2.gz LANMHLXWAWVWFL-IYBDPMFKSA-N 1 2 392.504 0.229 10 0 GCAELO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000280367005 1193989157 /nfs/dbraw/zinc/98/91/57/1193989157.db2.gz UYNYICLWSWBVCG-SFHVURJKSA-N 1 2 389.456 0.451 10 0 GCAELO CS(=O)(=O)NCC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000504439464 1194794324 /nfs/dbraw/zinc/79/43/24/1194794324.db2.gz WSSQGDJYTHCPQN-OAHLLOKOSA-N 1 2 383.445 0.719 10 0 GCAELO COc1cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc(Cl)c1OCC(N)=O ZINC000435028086 1194884162 /nfs/dbraw/zinc/88/41/62/1194884162.db2.gz SJFSLGNRHBZTKU-QGZVFWFLSA-N 1 2 396.831 0.387 10 0 GCAELO COc1cc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc(Cl)c1OCC(N)=O ZINC000435028086 1194884165 /nfs/dbraw/zinc/88/41/65/1194884165.db2.gz SJFSLGNRHBZTKU-QGZVFWFLSA-N 1 2 396.831 0.387 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000514962203 1194931837 /nfs/dbraw/zinc/93/18/37/1194931837.db2.gz HCJCPAYHPAVDAA-ILOCAZANSA-N 1 2 393.528 0.875 10 0 GCAELO Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000550081721 1195431429 /nfs/dbraw/zinc/43/14/29/1195431429.db2.gz FGMCMVXXFOCSOI-UHFFFAOYSA-N 1 2 383.452 0.221 10 0 GCAELO COc1c(F)cc(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1S(N)(=O)=O ZINC000473885819 1195571030 /nfs/dbraw/zinc/57/10/30/1195571030.db2.gz KZUPUKIBDJLVOM-LLVKDONJSA-N 1 2 384.433 0.673 10 0 GCAELO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(c3cc[nH+]c(C)n3)CC1)C2 ZINC000550333970 1195635325 /nfs/dbraw/zinc/63/53/25/1195635325.db2.gz IJKSKCONNFIDJJ-INIZCTEOSA-N 1 2 395.467 0.206 10 0 GCAELO O=C(C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000328887198 1195673835 /nfs/dbraw/zinc/67/38/35/1195673835.db2.gz OLTUVCHYMYCKFT-FGTMMUONSA-N 1 2 379.501 0.870 10 0 GCAELO O=C(C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000328887198 1195673839 /nfs/dbraw/zinc/67/38/39/1195673839.db2.gz OLTUVCHYMYCKFT-FGTMMUONSA-N 1 2 379.501 0.870 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC000331281657 1195725213 /nfs/dbraw/zinc/72/52/13/1195725213.db2.gz LCSRBEAZMMGHQF-UHFFFAOYSA-N 1 2 382.486 0.181 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC(CCO)C3)c2)CC1 ZINC000442019547 1195752214 /nfs/dbraw/zinc/75/22/14/1195752214.db2.gz CSTIGHAPMKHURL-UHFFFAOYSA-N 1 2 388.468 0.130 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n(-c2ccc(F)cc2)n1 ZINC000190030516 1195755827 /nfs/dbraw/zinc/75/58/27/1195755827.db2.gz IGZQDOICFBNIMG-AWEZNQCLSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)n(-c2ccc(F)cc2)n1 ZINC000190030516 1195755829 /nfs/dbraw/zinc/75/58/29/1195755829.db2.gz IGZQDOICFBNIMG-AWEZNQCLSA-N 1 2 389.431 0.783 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC[N@@H+]1CCO ZINC000190038967 1195755959 /nfs/dbraw/zinc/75/59/59/1195755959.db2.gz XTYBZOHRNYFFOA-CYBMUJFWSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC[N@H+]1CCO ZINC000190038967 1195755960 /nfs/dbraw/zinc/75/59/60/1195755960.db2.gz XTYBZOHRNYFFOA-CYBMUJFWSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC[N@@H+]1CCO ZINC000190027638 1195755983 /nfs/dbraw/zinc/75/59/83/1195755983.db2.gz DEKVXRDERYAZOR-CYBMUJFWSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC[N@H+]1CCO ZINC000190027638 1195755985 /nfs/dbraw/zinc/75/59/85/1195755985.db2.gz DEKVXRDERYAZOR-CYBMUJFWSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)CC[N@@H+]1CCO ZINC000190036895 1195756080 /nfs/dbraw/zinc/75/60/80/1195756080.db2.gz PJVVOZFFRQZKTN-CYBMUJFWSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)CC[N@H+]1CCO ZINC000190036895 1195756082 /nfs/dbraw/zinc/75/60/82/1195756082.db2.gz PJVVOZFFRQZKTN-CYBMUJFWSA-N 1 2 391.859 0.989 10 0 GCAELO Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)c2)n1 ZINC000190045520 1195756430 /nfs/dbraw/zinc/75/64/30/1195756430.db2.gz RQDWJHILQOBXHO-INIZCTEOSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)c2)n1 ZINC000190045520 1195756433 /nfs/dbraw/zinc/75/64/33/1195756433.db2.gz RQDWJHILQOBXHO-INIZCTEOSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1cc(N2CCN(C(=O)CN(CC(N)=O)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000051477157 1196083251 /nfs/dbraw/zinc/08/32/51/1196083251.db2.gz JNPNRNKKKUXMGN-UHFFFAOYSA-N 1 2 376.505 0.753 10 0 GCAELO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000113640391 1196088165 /nfs/dbraw/zinc/08/81/65/1196088165.db2.gz FDWCNZAORXJQIQ-UHFFFAOYSA-N 1 2 377.408 0.950 10 0 GCAELO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000329013876 1196156525 /nfs/dbraw/zinc/15/65/25/1196156525.db2.gz FOAXDPLWSBHXLC-UHFFFAOYSA-N 1 2 393.509 0.936 10 0 GCAELO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329350926 1196187802 /nfs/dbraw/zinc/18/78/02/1196187802.db2.gz FGHONYHYBAFYLY-OWCLPIDISA-N 1 2 385.530 0.355 10 0 GCAELO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329350926 1196187805 /nfs/dbraw/zinc/18/78/05/1196187805.db2.gz FGHONYHYBAFYLY-OWCLPIDISA-N 1 2 385.530 0.355 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)C2 ZINC000474895985 1196189394 /nfs/dbraw/zinc/18/93/94/1196189394.db2.gz BUPPAVVMBOXYIW-STQMWFEESA-N 1 2 383.518 0.670 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)CC2 ZINC000474895985 1196189397 /nfs/dbraw/zinc/18/93/97/1196189397.db2.gz BUPPAVVMBOXYIW-STQMWFEESA-N 1 2 383.518 0.670 10 0 GCAELO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)cnc21 ZINC000329415923 1196193255 /nfs/dbraw/zinc/19/32/55/1196193255.db2.gz DAYHPLKDQAKKSY-AWEZNQCLSA-N 1 2 387.440 0.361 10 0 GCAELO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000329715568 1196226234 /nfs/dbraw/zinc/22/62/34/1196226234.db2.gz VDYJGHPZDHLCAT-CQSZACIVSA-N 1 2 381.440 0.430 10 0 GCAELO C/C(=C/C(=O)N1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000909570997 1196379129 /nfs/dbraw/zinc/37/91/29/1196379129.db2.gz WWWKOYSOHPEJOS-SCOADAFUSA-N 1 2 375.473 0.670 10 0 GCAELO C/C(=C/C(=O)N1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000909570997 1196379133 /nfs/dbraw/zinc/37/91/33/1196379133.db2.gz WWWKOYSOHPEJOS-SCOADAFUSA-N 1 2 375.473 0.670 10 0 GCAELO C[C@@H](C1CC1)n1nccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000171499047 1196404025 /nfs/dbraw/zinc/40/40/25/1196404025.db2.gz STXVERCMTDYRMM-GOEBONIOSA-N 1 2 375.473 0.973 10 0 GCAELO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000475474763 1196448114 /nfs/dbraw/zinc/44/81/14/1196448114.db2.gz VAMDADXUEFQLIM-UHFFFAOYSA-N 1 2 387.421 0.497 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)[C@H]2CCOC2)CC1 ZINC000445083284 1196541665 /nfs/dbraw/zinc/54/16/65/1196541665.db2.gz OSWGZZZHNLXUJE-KRWDZBQOSA-N 1 2 388.468 0.537 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H](C)c2cn[nH]c2)CC1 ZINC000445124806 1196548715 /nfs/dbraw/zinc/54/87/15/1196548715.db2.gz VPDXHOZXURSDPW-CQSZACIVSA-N 1 2 398.467 0.890 10 0 GCAELO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000117130496 1196827293 /nfs/dbraw/zinc/82/72/93/1196827293.db2.gz LYJHZVLBADHPFZ-UHFFFAOYSA-N 1 2 379.420 0.870 10 0 GCAELO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)c1 ZINC000451127255 1196973406 /nfs/dbraw/zinc/97/34/06/1196973406.db2.gz ACXFZRCUCKPWOZ-MRXNPFEDSA-N 1 2 389.452 0.886 10 0 GCAELO CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)c1 ZINC000451127255 1196973409 /nfs/dbraw/zinc/97/34/09/1196973409.db2.gz ACXFZRCUCKPWOZ-MRXNPFEDSA-N 1 2 389.452 0.886 10 0 GCAELO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)c1 ZINC000451127253 1196973538 /nfs/dbraw/zinc/97/35/38/1196973538.db2.gz ACXFZRCUCKPWOZ-INIZCTEOSA-N 1 2 389.452 0.886 10 0 GCAELO CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)c1 ZINC000451127253 1196973541 /nfs/dbraw/zinc/97/35/41/1196973541.db2.gz ACXFZRCUCKPWOZ-INIZCTEOSA-N 1 2 389.452 0.886 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC12COC2 ZINC000451143682 1196975157 /nfs/dbraw/zinc/97/51/57/1196975157.db2.gz XKFXJRWLFRJKFO-LBPRGKRZSA-N 1 2 377.397 0.318 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC12COC2 ZINC000451143682 1196975160 /nfs/dbraw/zinc/97/51/60/1196975160.db2.gz XKFXJRWLFRJKFO-LBPRGKRZSA-N 1 2 377.397 0.318 10 0 GCAELO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451145311 1196975394 /nfs/dbraw/zinc/97/53/94/1196975394.db2.gz YRYLZKJQCCCXIP-ZDUSSCGKSA-N 1 2 394.428 0.047 10 0 GCAELO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451145311 1196975398 /nfs/dbraw/zinc/97/53/98/1196975398.db2.gz YRYLZKJQCCCXIP-ZDUSSCGKSA-N 1 2 394.428 0.047 10 0 GCAELO CN(C)C(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1C ZINC000181389228 1197204422 /nfs/dbraw/zinc/20/44/22/1197204422.db2.gz LUCUAJSGQNFYAH-CYBMUJFWSA-N 1 2 377.470 0.679 10 0 GCAELO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cn(-c2ccccc2)nn1 ZINC000185460500 1197214496 /nfs/dbraw/zinc/21/44/96/1197214496.db2.gz BKQLULRQVJKLGX-ZDUSSCGKSA-N 1 2 375.458 0.630 10 0 GCAELO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1cn(-c2ccccc2)nn1 ZINC000185469358 1197214514 /nfs/dbraw/zinc/21/45/14/1197214514.db2.gz OTYOQNZSPVLHRR-HNNXBMFYSA-N 1 2 382.468 0.999 10 0 GCAELO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cnn1-c1ccccc1F ZINC000190049832 1197240379 /nfs/dbraw/zinc/24/03/79/1197240379.db2.gz ALZRDKJLWWLZER-CYBMUJFWSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cnn1-c1ccccc1F ZINC000190049832 1197240380 /nfs/dbraw/zinc/24/03/80/1197240380.db2.gz ALZRDKJLWWLZER-CYBMUJFWSA-N 1 2 389.431 0.783 10 0 GCAELO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190983320 1197242128 /nfs/dbraw/zinc/24/21/28/1197242128.db2.gz DAPLVTTZIHWORR-GFCCVEGCSA-N 1 2 378.473 0.661 10 0 GCAELO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190983320 1197242131 /nfs/dbraw/zinc/24/21/31/1197242131.db2.gz DAPLVTTZIHWORR-GFCCVEGCSA-N 1 2 378.473 0.661 10 0 GCAELO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190983302 1197242319 /nfs/dbraw/zinc/24/23/19/1197242319.db2.gz DAPLVTTZIHWORR-LBPRGKRZSA-N 1 2 378.473 0.661 10 0 GCAELO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190983302 1197242321 /nfs/dbraw/zinc/24/23/21/1197242321.db2.gz DAPLVTTZIHWORR-LBPRGKRZSA-N 1 2 378.473 0.661 10 0 GCAELO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1 ZINC000536544643 1197356932 /nfs/dbraw/zinc/35/69/32/1197356932.db2.gz ULNARULGUSRBPF-UHFFFAOYSA-N 1 2 399.499 0.872 10 0 GCAELO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1 ZINC000536544643 1197356934 /nfs/dbraw/zinc/35/69/34/1197356934.db2.gz ULNARULGUSRBPF-UHFFFAOYSA-N 1 2 399.499 0.872 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129788153 1197369398 /nfs/dbraw/zinc/36/93/98/1197369398.db2.gz MLJZTXQIVQEUQZ-MFKMUULPSA-N 1 2 381.795 0.613 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129788153 1197369401 /nfs/dbraw/zinc/36/94/01/1197369401.db2.gz MLJZTXQIVQEUQZ-MFKMUULPSA-N 1 2 381.795 0.613 10 0 GCAELO Cn1c(=O)ccn(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1=O ZINC000188769670 1197385333 /nfs/dbraw/zinc/38/53/33/1197385333.db2.gz HWHVHCNNDTVOTK-UHFFFAOYSA-N 1 2 376.844 0.375 10 0 GCAELO Cn1c(=O)ccn(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1=O ZINC000188769670 1197385337 /nfs/dbraw/zinc/38/53/37/1197385337.db2.gz HWHVHCNNDTVOTK-UHFFFAOYSA-N 1 2 376.844 0.375 10 0 GCAELO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2ccnn2C)CC1 ZINC000532726595 1197406013 /nfs/dbraw/zinc/40/60/13/1197406013.db2.gz SQEBQOBMZGRWOC-KRWDZBQOSA-N 1 2 376.505 0.180 10 0 GCAELO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2ccnn2C)CC1 ZINC000532726595 1197406015 /nfs/dbraw/zinc/40/60/15/1197406015.db2.gz SQEBQOBMZGRWOC-KRWDZBQOSA-N 1 2 376.505 0.180 10 0 GCAELO Cc1occc1C(=O)NC1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000532941529 1197422345 /nfs/dbraw/zinc/42/23/45/1197422345.db2.gz QGUJYCQJHJVKGU-UHFFFAOYSA-N 1 2 378.473 0.813 10 0 GCAELO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000532995236 1197425297 /nfs/dbraw/zinc/42/52/97/1197425297.db2.gz DQAVITFMWFXKIA-ZDUSSCGKSA-N 1 2 385.415 0.848 10 0 GCAELO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261651820 1197510645 /nfs/dbraw/zinc/51/06/45/1197510645.db2.gz HKSLTLPJJVYGSK-KRWDZBQOSA-N 1 2 395.506 0.961 10 0 GCAELO CCOC(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cn1C ZINC000261788203 1197514703 /nfs/dbraw/zinc/51/47/03/1197514703.db2.gz KSLMZLQPGVBGBY-MRXNPFEDSA-N 1 2 378.454 0.932 10 0 GCAELO O=C(CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262939740 1197538707 /nfs/dbraw/zinc/53/87/07/1197538707.db2.gz IRRBCURZBPBEKR-HNNXBMFYSA-N 1 2 384.402 0.978 10 0 GCAELO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263102533 1197541516 /nfs/dbraw/zinc/54/15/16/1197541516.db2.gz ZOPPZKINIJLTLI-CQSZACIVSA-N 1 2 394.488 0.637 10 0 GCAELO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000533791637 1197566354 /nfs/dbraw/zinc/56/63/54/1197566354.db2.gz IORSKHAYSGJBRF-GFCCVEGCSA-N 1 2 391.453 0.283 10 0 GCAELO O=C(CCNC(=O)C(=O)NCCCC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998169 1198993633 /nfs/dbraw/zinc/99/36/33/1198993633.db2.gz VCTMTMFUZLVAAR-UHFFFAOYSA-N 1 2 387.484 0.543 10 0 GCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000269255941 1199111975 /nfs/dbraw/zinc/11/19/75/1199111975.db2.gz GDKNKMXXSOJPJX-ZDUSSCGKSA-N 1 2 383.474 0.382 10 0 GCAELO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000672145032 1199135244 /nfs/dbraw/zinc/13/52/44/1199135244.db2.gz SMGANVVXZLZISE-HNNXBMFYSA-N 1 2 390.465 0.885 10 0 GCAELO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672530613 1199259686 /nfs/dbraw/zinc/25/96/86/1199259686.db2.gz PYPUWJLRMNDDJT-IAGOWNOFSA-N 1 2 381.436 0.968 10 0 GCAELO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cccc(-n3cncn3)c2)CC1 ZINC000115325312 1199497934 /nfs/dbraw/zinc/49/79/34/1199497934.db2.gz XDOIHATYWDFCMH-UHFFFAOYSA-N 1 2 389.423 0.906 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000673484186 1199700732 /nfs/dbraw/zinc/70/07/32/1199700732.db2.gz OGALPYQDJCNPQG-WWNBULGVSA-N 1 2 395.500 0.010 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000673481392 1199702519 /nfs/dbraw/zinc/70/25/19/1199702519.db2.gz MPCHQLKOCKFBOV-IKGGRYGDSA-N 1 2 379.501 0.774 10 0 GCAELO Cc1cc(N2CCN(C(=O)CN(C)Cc3nnnn3C)CC2)nc(C(C)C)[nH+]1 ZINC000466469128 1199724806 /nfs/dbraw/zinc/72/48/06/1199724806.db2.gz PIEDIQINMKBGFJ-UHFFFAOYSA-N 1 2 387.492 0.213 10 0 GCAELO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782901 1199939772 /nfs/dbraw/zinc/93/97/72/1199939772.db2.gz CTTQHHALUGCMIK-MRXNPFEDSA-N 1 2 388.468 0.931 10 0 GCAELO CC(C)C(=O)N[C@@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000673872384 1199963636 /nfs/dbraw/zinc/96/36/36/1199963636.db2.gz NRDGOUBDTIJIOE-MRXNPFEDSA-N 1 2 392.504 0.984 10 0 GCAELO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000673883594 1199967593 /nfs/dbraw/zinc/96/75/93/1199967593.db2.gz MDMBFFQBQVMBJJ-IAGOWNOFSA-N 1 2 380.489 0.273 10 0 GCAELO CCOc1cccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000675488045 1200418407 /nfs/dbraw/zinc/41/84/07/1200418407.db2.gz HZSWJMPTZVGSEK-MRXNPFEDSA-N 1 2 390.484 0.320 10 0 GCAELO NC(=O)[C@@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000675803883 1200460561 /nfs/dbraw/zinc/46/05/61/1200460561.db2.gz MEUOENHSEBOPBW-HZPDHXFCSA-N 1 2 387.484 0.671 10 0 GCAELO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000548054839 1200891645 /nfs/dbraw/zinc/89/16/45/1200891645.db2.gz GFVOQNJIEXCGRA-HNNXBMFYSA-N 1 2 375.433 1.434 10 0 GCAELO CC(=O)N1CCN(C(=O)CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000626074106 1201142802 /nfs/dbraw/zinc/14/28/02/1201142802.db2.gz MXAQHVBYHZBOAU-UHFFFAOYSA-N 1 2 383.496 0.976 10 0 GCAELO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)C1 ZINC000611431344 1201236622 /nfs/dbraw/zinc/23/66/22/1201236622.db2.gz RPSYDCIRHUHJMT-GDBMZVCRSA-N 1 2 392.504 0.421 10 0 GCAELO CC(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165400 1201524454 /nfs/dbraw/zinc/52/44/54/1201524454.db2.gz LNFGZLQLFRAGCD-ROUUACIJSA-N 1 2 377.510 0.968 10 0 GCAELO COC1(OC)CC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@H]1O ZINC000824277611 1201640489 /nfs/dbraw/zinc/64/04/89/1201640489.db2.gz KMVNMKCRECXSMS-MRXNPFEDSA-N 1 2 377.441 0.808 10 0 GCAELO COC1(OC)CC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@H]1O ZINC000824277611 1201640491 /nfs/dbraw/zinc/64/04/91/1201640491.db2.gz KMVNMKCRECXSMS-MRXNPFEDSA-N 1 2 377.441 0.808 10 0 GCAELO O=C([C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827610838 1201704678 /nfs/dbraw/zinc/70/46/78/1201704678.db2.gz ACGUNPZZFKRUGJ-HLLBOEOZSA-N 1 2 388.386 0.731 10 0 GCAELO O=C(N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000827771416 1201708209 /nfs/dbraw/zinc/70/82/09/1201708209.db2.gz WVULUIVZNFWGHA-SMDDNHRTSA-N 1 2 380.811 0.919 10 0 GCAELO O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000189076615 1201908827 /nfs/dbraw/zinc/90/88/27/1201908827.db2.gz QLIUSWQEQMHYNR-KRWDZBQOSA-N 1 2 375.473 0.945 10 0 GCAELO O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000189076594 1201909128 /nfs/dbraw/zinc/90/91/28/1201909128.db2.gz QLIUSWQEQMHYNR-QGZVFWFLSA-N 1 2 375.473 0.945 10 0 GCAELO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCn2cc[nH+]c2)[C@H](C)O)cc1C ZINC000771850485 1202166874 /nfs/dbraw/zinc/16/68/74/1202166874.db2.gz LWLKUFAFLATYRN-GOEBONIOSA-N 1 2 381.454 0.771 10 0 GCAELO Cn1cc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 ZINC000805275067 1205573751 /nfs/dbraw/zinc/57/37/51/1205573751.db2.gz GRYBFBSFAFMUKS-OAHLLOKOSA-N 1 2 393.492 0.652 10 0 GCAELO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000774338627 1205869631 /nfs/dbraw/zinc/86/96/31/1205869631.db2.gz SIKXRBSCQOAUJQ-BBRMVZONSA-N 1 2 382.424 0.979 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000774914573 1205927473 /nfs/dbraw/zinc/92/74/73/1205927473.db2.gz ANOMDFORMZTTQR-OQRWROFFSA-N 1 2 395.525 0.833 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000774914571 1205927549 /nfs/dbraw/zinc/92/75/49/1205927549.db2.gz ANOMDFORMZTTQR-CHAGWJKLSA-N 1 2 395.525 0.833 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C[C@@H]21 ZINC000286475197 530150029 /nfs/dbraw/zinc/15/00/29/530150029.db2.gz SDPHEZVTNXGZAE-UWVGGRQHSA-N 1 2 379.891 0.594 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C[C@@H]21 ZINC000286475197 530150031 /nfs/dbraw/zinc/15/00/31/530150031.db2.gz SDPHEZVTNXGZAE-UWVGGRQHSA-N 1 2 379.891 0.594 10 0 GCAELO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000600782097 530242622 /nfs/dbraw/zinc/24/26/22/530242622.db2.gz BGQLEFFVAJXBPB-AWEZNQCLSA-N 1 2 387.527 0.796 10 0 GCAELO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000600782097 530242623 /nfs/dbraw/zinc/24/26/23/530242623.db2.gz BGQLEFFVAJXBPB-AWEZNQCLSA-N 1 2 387.527 0.796 10 0 GCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(Br)cnc1Cl ZINC000132290540 530290514 /nfs/dbraw/zinc/29/05/14/530290514.db2.gz YWDDVLVZTPXWHR-JTQLQIEISA-N 1 2 378.654 0.920 10 0 GCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(I)c[nH]1 ZINC000132850957 530291493 /nfs/dbraw/zinc/29/14/93/530291493.db2.gz XCWKCXVBNHSIMF-SNVBAGLBSA-N 1 2 379.198 0.042 10 0 GCAELO O=C(Cc1ccc(Br)c(F)c1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000133138503 530292099 /nfs/dbraw/zinc/29/20/99/530292099.db2.gz BVWBDCFRVGDTBC-GFCCVEGCSA-N 1 2 375.238 0.940 10 0 GCAELO COc1ccc(Br)c(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000133126679 530318633 /nfs/dbraw/zinc/31/86/33/530318633.db2.gz XYUGUNOKGAIHAL-CYBMUJFWSA-N 1 2 387.274 0.810 10 0 GCAELO O=S(=O)(Cc1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000155989886 530322185 /nfs/dbraw/zinc/32/21/85/530322185.db2.gz FLALFRRXWVPTIK-CQSZACIVSA-N 1 2 393.303 0.562 10 0 GCAELO NS(=O)(=O)CCN1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179623641 530367009 /nfs/dbraw/zinc/36/70/09/530367009.db2.gz RLEOYELOLSYBAE-OAHLLOKOSA-N 1 2 386.905 0.739 10 0 GCAELO NS(=O)(=O)CC[NH+]1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179623641 530367012 /nfs/dbraw/zinc/36/70/12/530367012.db2.gz RLEOYELOLSYBAE-OAHLLOKOSA-N 1 2 386.905 0.739 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000180257194 530369017 /nfs/dbraw/zinc/36/90/17/530369017.db2.gz OFCCWYOXHUBDNZ-WCQYABFASA-N 1 2 397.273 0.962 10 0 GCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc2c(cc1Br)NC(=O)CO2 ZINC000184083473 530375210 /nfs/dbraw/zinc/37/52/10/530375210.db2.gz JJGTUYNPRPMFAV-JTQLQIEISA-N 1 2 395.257 0.510 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1[NH+]1CCOCC1 ZINC000193718293 530393985 /nfs/dbraw/zinc/39/39/85/530393985.db2.gz XVWJZKNIYBFFHP-DGCLKSJQSA-N 1 2 397.273 0.962 10 0 GCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c(Br)n1 ZINC000181443457 530370837 /nfs/dbraw/zinc/37/08/37/530370837.db2.gz KFPHNPRGNBQESC-LLVKDONJSA-N 1 2 385.262 0.928 10 0 GCAELO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1 ZINC000408181424 530445376 /nfs/dbraw/zinc/44/53/76/530445376.db2.gz COWNSMRZLIXWDD-UONOGXRCSA-N 1 2 387.527 0.842 10 0 GCAELO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1 ZINC000408181424 530445377 /nfs/dbraw/zinc/44/53/77/530445377.db2.gz COWNSMRZLIXWDD-UONOGXRCSA-N 1 2 387.527 0.842 10 0 GCAELO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000408242239 530492389 /nfs/dbraw/zinc/49/23/89/530492389.db2.gz RONMJUXGGJESEB-NSHDSACASA-N 1 2 386.440 0.306 10 0 GCAELO O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000328767457 530517841 /nfs/dbraw/zinc/51/78/41/530517841.db2.gz BGFJBOROBDICHZ-UHFFFAOYSA-N 1 2 385.511 0.596 10 0 GCAELO CC[C@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CCN1CC(F)F ZINC000153687863 530536923 /nfs/dbraw/zinc/53/69/23/530536923.db2.gz HCKKCEHLNTZXNQ-ZDUSSCGKSA-N 1 2 384.493 0.045 10 0 GCAELO CC[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CCN1CC(F)F ZINC000153687863 530536927 /nfs/dbraw/zinc/53/69/27/530536927.db2.gz HCKKCEHLNTZXNQ-ZDUSSCGKSA-N 1 2 384.493 0.045 10 0 GCAELO Brc1cnc2c(C[NH+]3CCN(c4nccnn4)CC3)cnn2c1 ZINC000639346429 530588612 /nfs/dbraw/zinc/58/86/12/530588612.db2.gz QOSYBXKBYADMMN-UHFFFAOYSA-N 1 2 375.234 0.999 10 0 GCAELO CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000171871372 530598364 /nfs/dbraw/zinc/59/83/64/530598364.db2.gz NLYFEFKYFJREHD-GFCCVEGCSA-N 1 2 375.441 0.985 10 0 GCAELO CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000171871372 530598367 /nfs/dbraw/zinc/59/83/67/530598367.db2.gz NLYFEFKYFJREHD-GFCCVEGCSA-N 1 2 375.441 0.985 10 0 GCAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)CC1 ZINC000330177618 530628394 /nfs/dbraw/zinc/62/83/94/530628394.db2.gz DBQSNQYKWPHUNO-SJORKVTESA-N 1 2 375.535 0.496 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330180042 530628764 /nfs/dbraw/zinc/62/87/64/530628764.db2.gz FRRUSRVAEFWKLF-HLLBOEOZSA-N 1 2 375.535 0.494 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330180042 530628768 /nfs/dbraw/zinc/62/87/68/530628768.db2.gz FRRUSRVAEFWKLF-HLLBOEOZSA-N 1 2 375.535 0.494 10 0 GCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)CC1 ZINC000330201232 530629003 /nfs/dbraw/zinc/62/90/03/530629003.db2.gz XLIIEADBXSOTTP-IRXDYDNUSA-N 1 2 375.535 0.496 10 0 GCAELO CN(C)c1cc(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)[nH+]cc1Br ZINC000333641663 530661489 /nfs/dbraw/zinc/66/14/89/530661489.db2.gz IXEBAYSVNZYSLC-OCAPTIKFSA-N 1 2 382.218 0.646 10 0 GCAELO COCCOc1ccc(F)cc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000469301052 530687836 /nfs/dbraw/zinc/68/78/36/530687836.db2.gz CZFAEJKTGYVVNN-UHFFFAOYSA-N 1 2 376.450 0.540 10 0 GCAELO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000470214040 530693067 /nfs/dbraw/zinc/69/30/67/530693067.db2.gz MKFSJLSYXKHQSI-LLVKDONJSA-N 1 2 389.499 0.081 10 0 GCAELO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000470214040 530693070 /nfs/dbraw/zinc/69/30/70/530693070.db2.gz MKFSJLSYXKHQSI-LLVKDONJSA-N 1 2 389.499 0.081 10 0 GCAELO Cc1ncc(CNC(=O)C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000479418947 530757835 /nfs/dbraw/zinc/75/78/35/530757835.db2.gz IGOVKTMGARTIJL-MRXNPFEDSA-N 1 2 384.527 0.392 10 0 GCAELO Brc1ccccc1-n1nnnc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371828905 530759301 /nfs/dbraw/zinc/75/93/01/530759301.db2.gz NVDWOOAIXJYBLC-LBPRGKRZSA-N 1 2 379.262 0.941 10 0 GCAELO Brc1ccccc1-n1nnnc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371828905 530759305 /nfs/dbraw/zinc/75/93/05/530759305.db2.gz NVDWOOAIXJYBLC-LBPRGKRZSA-N 1 2 379.262 0.941 10 0 GCAELO COCCOc1ccc(F)cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000375487413 530802580 /nfs/dbraw/zinc/80/25/80/530802580.db2.gz WEWQJOWAFADCJT-UHFFFAOYSA-N 1 2 376.450 0.540 10 0 GCAELO COCCOc1ccc(F)cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000375487413 530802594 /nfs/dbraw/zinc/80/25/94/530802594.db2.gz WEWQJOWAFADCJT-UHFFFAOYSA-N 1 2 376.450 0.540 10 0 GCAELO Cn1cc[nH+]c1CN1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000106031368 530803914 /nfs/dbraw/zinc/80/39/14/530803914.db2.gz AVPZDJWWVDETIB-UHFFFAOYSA-N 1 2 383.499 0.104 10 0 GCAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)s1 ZINC000110940696 530830429 /nfs/dbraw/zinc/83/04/29/530830429.db2.gz BSJYXKNALCDEEN-HNNXBMFYSA-N 1 2 386.543 0.910 10 0 GCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@@H]1C ZINC000269765127 530825667 /nfs/dbraw/zinc/82/56/67/530825667.db2.gz CZWYUBAIRPZLLM-WDEREUQCSA-N 1 2 378.292 0.920 10 0 GCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@@H]1C ZINC000269765127 530825670 /nfs/dbraw/zinc/82/56/70/530825670.db2.gz CZWYUBAIRPZLLM-WDEREUQCSA-N 1 2 378.292 0.920 10 0 GCAELO O=C(Cc1cc2c(cc1Br)OCCO2)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178733764 530851579 /nfs/dbraw/zinc/85/15/79/530851579.db2.gz PRCAYOIDQZQQMF-ZDUSSCGKSA-N 1 2 396.285 0.879 10 0 GCAELO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178968507 530851857 /nfs/dbraw/zinc/85/18/57/530851857.db2.gz AFAZUUTVGDNDQW-GXTWGEPZSA-N 1 2 386.905 0.123 10 0 GCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc(Br)ccc1F ZINC000178958034 530852041 /nfs/dbraw/zinc/85/20/41/530852041.db2.gz CXFYIJBEAUQDFP-LLVKDONJSA-N 1 2 385.237 0.643 10 0 GCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1Br ZINC000178959235 530852074 /nfs/dbraw/zinc/85/20/74/530852074.db2.gz CODDPLSYPHVMIO-ZDUSSCGKSA-N 1 2 381.274 0.812 10 0 GCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc(Br)cc1F ZINC000178959153 530852401 /nfs/dbraw/zinc/85/24/01/530852401.db2.gz AFSZXPZOYRFGCZ-LLVKDONJSA-N 1 2 385.237 0.643 10 0 GCAELO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000179438474 530852822 /nfs/dbraw/zinc/85/28/22/530852822.db2.gz KTHJXVIRKXAOMT-GFCCVEGCSA-N 1 2 381.274 0.812 10 0 GCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(Br)n1 ZINC000179903355 530853363 /nfs/dbraw/zinc/85/33/63/530853363.db2.gz COSHBYOWZOUVPO-LLVKDONJSA-N 1 2 382.262 0.207 10 0 GCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c(Br)n1 ZINC000179903370 530853553 /nfs/dbraw/zinc/85/35/53/530853553.db2.gz COSHBYOWZOUVPO-NSHDSACASA-N 1 2 382.262 0.207 10 0 GCAELO Cc1nc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1Br ZINC000193914176 530841370 /nfs/dbraw/zinc/84/13/70/530841370.db2.gz YQOYIMUTUKNMEK-JTQLQIEISA-N 1 2 385.262 0.616 10 0 GCAELO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1Br ZINC000193914176 530841373 /nfs/dbraw/zinc/84/13/73/530841373.db2.gz YQOYIMUTUKNMEK-JTQLQIEISA-N 1 2 385.262 0.616 10 0 GCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cccc(I)c1 ZINC000154108510 530905780 /nfs/dbraw/zinc/90/57/80/530905780.db2.gz FKQNJZRQRVGXBD-CYBMUJFWSA-N 1 2 390.221 0.714 10 0 GCAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1nc2ncc(Br)cn2n1 ZINC000127187389 530938370 /nfs/dbraw/zinc/93/83/70/530938370.db2.gz BPNLXLCRUSJPNK-LLVKDONJSA-N 1 2 381.234 0.480 10 0 GCAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1nc2ncc(Br)cn2n1 ZINC000127187389 530938371 /nfs/dbraw/zinc/93/83/71/530938371.db2.gz BPNLXLCRUSJPNK-LLVKDONJSA-N 1 2 381.234 0.480 10 0 GCAELO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCSC[C@@H]1CCO ZINC000538187705 531030749 /nfs/dbraw/zinc/03/07/49/531030749.db2.gz LBAAGRDNYGIILF-HOCLYGCPSA-N 1 2 375.560 0.704 10 0 GCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000263010770 530999924 /nfs/dbraw/zinc/99/99/24/530999924.db2.gz PSBDXLZDXJXYPP-CYBMUJFWSA-N 1 2 377.388 0.656 10 0 GCAELO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CC[NH+](CCCO)CC3)cc2N1 ZINC000542755928 531068757 /nfs/dbraw/zinc/06/87/57/531068757.db2.gz XIEPEAATNKBSMC-UHFFFAOYSA-N 1 2 387.889 0.913 10 0 GCAELO COC(=O)[C@H](c1c(F)cccc1Cl)N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000542213312 531063997 /nfs/dbraw/zinc/06/39/97/531063997.db2.gz YKUMNQAARMWNTB-AWEZNQCLSA-N 1 2 393.868 0.599 10 0 GCAELO Brc1c[nH+]c(NC2COCCOC2)nc1NC1COCCOC1 ZINC000634800575 531046177 /nfs/dbraw/zinc/04/61/77/531046177.db2.gz LRLRAKASHCPTCS-UHFFFAOYSA-N 1 2 389.250 0.894 10 0 GCAELO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000679830691 531158173 /nfs/dbraw/zinc/15/81/73/531158173.db2.gz STIGZDPSMSZTRW-MRXNPFEDSA-N 1 2 387.527 0.928 10 0 GCAELO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000679830691 531158175 /nfs/dbraw/zinc/15/81/75/531158175.db2.gz STIGZDPSMSZTRW-MRXNPFEDSA-N 1 2 387.527 0.928 10 0 GCAELO CC(C)(CNC(=O)N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000554261286 531160529 /nfs/dbraw/zinc/16/05/29/531160529.db2.gz RJXFXACOAMCBRD-UHFFFAOYSA-N 1 2 376.523 0.068 10 0 GCAELO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)C[N@@H+]21)NC1CC1 ZINC000015708307 291102492 /nfs/dbraw/zinc/10/24/92/291102492.db2.gz JWUDUDZTEJDLJV-MJBXVCDLSA-N 1 2 376.482 0.478 10 0 biogenic GCAELO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)C[N@H+]21)NC1CC1 ZINC000015708307 291102494 /nfs/dbraw/zinc/10/24/94/291102494.db2.gz JWUDUDZTEJDLJV-MJBXVCDLSA-N 1 2 376.482 0.478 10 0 biogenic GCAELO O[C@@H](CN1CCO[C@@H](COc2ccc3c(c2)OCO3)C1)C[NH+]1CCOCC1 ZINC000096280495 211330084 /nfs/dbraw/zinc/33/00/84/211330084.db2.gz UFXFRSIXNHCPTQ-NVXWUHKLSA-N 1 2 380.441 0.188 10 0 GCAELO O[C@H](CN1CCOCC1)C[N@@H+]1CCO[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000096280495 211330087 /nfs/dbraw/zinc/33/00/87/211330087.db2.gz UFXFRSIXNHCPTQ-NVXWUHKLSA-N 1 2 380.441 0.188 10 0 GCAELO O[C@H](CN1CCOCC1)C[N@H+]1CCO[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000096280495 211330090 /nfs/dbraw/zinc/33/00/90/211330090.db2.gz UFXFRSIXNHCPTQ-NVXWUHKLSA-N 1 2 380.441 0.188 10 0 GCAELO O=C(Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)NCC[NH+]1CCOCC1 ZINC000096385735 211337651 /nfs/dbraw/zinc/33/76/51/211337651.db2.gz CUFCODMHWVWIAR-UHFFFAOYSA-N 1 2 399.426 0.775 10 0 GCAELO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000054829574 639583158 /nfs/dbraw/zinc/58/31/58/639583158.db2.gz WVPBTEWHGZACEO-UHFFFAOYSA-N 1 2 385.877 0.476 10 0 GCAELO C[C@H]1CCCN1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000770261857 640801356 /nfs/dbraw/zinc/80/13/56/640801356.db2.gz FQALWCUXSJHUPW-KBPBESRZSA-N 1 2 376.523 0.856 10 0 GCAELO C[C@H]1CCCN1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000770261857 640801360 /nfs/dbraw/zinc/80/13/60/640801360.db2.gz FQALWCUXSJHUPW-KBPBESRZSA-N 1 2 376.523 0.856 10 0 GCAELO C/C(=C/C(=O)N1CSC[C@H]1C(=O)N1CCSCC1)C[NH+]1CCOCC1 ZINC000900438936 642087664 /nfs/dbraw/zinc/08/76/64/642087664.db2.gz JKILODFNMGOBRS-LTBFUDJGSA-N 1 2 385.555 0.742 10 0 GCAELO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2(CCO)CCCCC2)CC1 ZINC000802140279 642144420 /nfs/dbraw/zinc/14/44/20/642144420.db2.gz MNOPQHRNDLCHGC-UHFFFAOYSA-N 1 2 375.535 0.880 10 0 GCAELO CC(=O)N1CCN(c2ccccc2CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636717710 1192281004 /nfs/dbraw/zinc/28/10/04/1192281004.db2.gz XSFYLOGCOZUMQZ-QGZVFWFLSA-N 1 2 382.468 0.976 10 0 GCAELO CC(=O)N(C)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000278868706 1192309230 /nfs/dbraw/zinc/30/92/30/1192309230.db2.gz FMVGLKCCWIEUEY-KRWDZBQOSA-N 1 2 388.468 0.332 10 0 GCAELO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000544729147 1192591696 /nfs/dbraw/zinc/59/16/96/1192591696.db2.gz CUVGOQNIDHCWGZ-OAHLLOKOSA-N 1 2 397.501 0.427 10 0 GCAELO CNC(=O)COc1cccc(CNC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000512303802 1192600485 /nfs/dbraw/zinc/60/04/85/1192600485.db2.gz WNDKDSLVWBQDJE-UHFFFAOYSA-N 1 2 398.467 0.942 10 0 GCAELO CC(C)N(Cc1ccccc1)C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000549832897 1192895371 /nfs/dbraw/zinc/89/53/71/1192895371.db2.gz PGNIVINSZBUWAR-GOSISDBHSA-N 1 2 377.485 0.575 10 0 GCAELO CC(C)[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(F)(F)F ZINC000471202343 1184418063 /nfs/dbraw/zinc/41/80/63/1184418063.db2.gz FMZKURJIXVYJLJ-ZDUSSCGKSA-N 1 2 391.394 0.857 10 0 GCAELO Cn1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c([C@H]2CCOC2)n1 ZINC000275562015 1184713186 /nfs/dbraw/zinc/71/31/86/1184713186.db2.gz PWNOVWZLAJBBDA-INIZCTEOSA-N 1 2 389.500 0.694 10 0 GCAELO Cn1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c([C@H]2CCOC2)n1 ZINC000275562015 1184713190 /nfs/dbraw/zinc/71/31/90/1184713190.db2.gz PWNOVWZLAJBBDA-INIZCTEOSA-N 1 2 389.500 0.694 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCCOC3)c2)CC1 ZINC000275696943 1184941558 /nfs/dbraw/zinc/94/15/58/1184941558.db2.gz QXMRLJZFCWERNU-SFHVURJKSA-N 1 2 388.468 0.584 10 0 GCAELO O=C(NCc1cn2c([nH+]1)CCCC2)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000580108737 1185065905 /nfs/dbraw/zinc/06/59/05/1185065905.db2.gz UEHRZLBFNWVDLN-UHFFFAOYSA-N 1 2 376.457 0.491 10 0 GCAELO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCc1ccccc1Cn1cccn1 ZINC000580898789 1185408778 /nfs/dbraw/zinc/40/87/78/1185408778.db2.gz RRAOTQAJZSMHSM-HXUWFJFHSA-N 1 2 396.451 0.222 10 0 GCAELO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCc1ccccc1Cn1cccn1 ZINC000580898789 1185408781 /nfs/dbraw/zinc/40/87/81/1185408781.db2.gz RRAOTQAJZSMHSM-HXUWFJFHSA-N 1 2 396.451 0.222 10 0 GCAELO Cn1ccnc(N2CCC[C@H](NC(=O)NCc3cn4c([nH+]3)CCCC4)C2)c1=O ZINC000276343881 1185747745 /nfs/dbraw/zinc/74/77/45/1185747745.db2.gz HGWGZNWUVRTVEL-AWEZNQCLSA-N 1 2 385.472 0.781 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152407576 1186503584 /nfs/dbraw/zinc/50/35/84/1186503584.db2.gz VIXABXVOGHUONJ-WFASDCNBSA-N 1 2 380.811 0.731 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152407576 1186503585 /nfs/dbraw/zinc/50/35/85/1186503585.db2.gz VIXABXVOGHUONJ-WFASDCNBSA-N 1 2 380.811 0.731 10 0 GCAELO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1=O ZINC000152474757 1186523436 /nfs/dbraw/zinc/52/34/36/1186523436.db2.gz ZENUMJLGCRHOTR-RHSMWYFYSA-N 1 2 394.834 0.901 10 0 GCAELO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1=O ZINC000152474757 1186523439 /nfs/dbraw/zinc/52/34/39/1186523439.db2.gz ZENUMJLGCRHOTR-RHSMWYFYSA-N 1 2 394.834 0.901 10 0 GCAELO CC1(C)CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@]2(CCOC2)O1 ZINC000582583575 1186576102 /nfs/dbraw/zinc/57/61/02/1186576102.db2.gz GCUWFTDJWWLPJK-IBGZPJMESA-N 1 2 393.488 1.017 10 0 GCAELO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(Cn3ccnn3)CC2)C1 ZINC000156000305 1186838163 /nfs/dbraw/zinc/83/81/63/1186838163.db2.gz POWYERZVBFAXFJ-GOSISDBHSA-N 1 2 378.521 0.463 10 0 GCAELO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(Cn3ccnn3)CC2)C1 ZINC000156000305 1186838169 /nfs/dbraw/zinc/83/81/69/1186838169.db2.gz POWYERZVBFAXFJ-GOSISDBHSA-N 1 2 378.521 0.463 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000329245635 1186883197 /nfs/dbraw/zinc/88/31/97/1186883197.db2.gz VGYOZVSVSQDWQK-IYBDPMFKSA-N 1 2 383.514 0.962 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000685406688 1187123681 /nfs/dbraw/zinc/12/36/81/1187123681.db2.gz KZYNMCVXARWKED-DRRXZNNHSA-N 1 2 377.485 0.239 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000685406691 1187123732 /nfs/dbraw/zinc/12/37/32/1187123732.db2.gz KZYNMCVXARWKED-ZHCJQAHYSA-N 1 2 377.485 0.239 10 0 GCAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000588968856 1187144580 /nfs/dbraw/zinc/14/45/80/1187144580.db2.gz CSEOMUGFKCCCSZ-LBPRGKRZSA-N 1 2 380.411 0.950 10 0 GCAELO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000191858314 1187348354 /nfs/dbraw/zinc/34/83/54/1187348354.db2.gz AGXWRKJVUPSPPB-UHFFFAOYSA-N 1 2 397.479 0.684 10 0 GCAELO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000569816689 1187456394 /nfs/dbraw/zinc/45/63/94/1187456394.db2.gz CDFLWHIRHYDOTH-MAUKXSAKSA-N 1 2 386.452 0.546 10 0 GCAELO CO[C@@H]1CC[C@H](Nc2nc(N[C@H]3CC[C@@H](OC)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000472437003 1187513169 /nfs/dbraw/zinc/51/31/69/1187513169.db2.gz KFNQVHTXPAEBFN-CAOSSQGBSA-N 1 2 392.504 0.511 10 0 GCAELO CCN(C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1)S(C)(=O)=O ZINC000408113510 1189909011 /nfs/dbraw/zinc/90/90/11/1189909011.db2.gz WOVRPJTYORTMCJ-SJORKVTESA-N 1 2 387.546 0.902 10 0 GCAELO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246988100 1193731279 /nfs/dbraw/zinc/73/12/79/1193731279.db2.gz FWSLKXFQWCCXGG-JKSUJKDBSA-N 1 2 380.514 0.347 10 0 GCAELO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246988100 1193731284 /nfs/dbraw/zinc/73/12/84/1193731284.db2.gz FWSLKXFQWCCXGG-JKSUJKDBSA-N 1 2 380.514 0.347 10 0 GCAELO Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171419038 1193858233 /nfs/dbraw/zinc/85/82/33/1193858233.db2.gz RIHBRRYZRXHUHL-UHFFFAOYSA-N 1 2 385.468 0.864 10 0 GCAELO CC(=O)C1(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1 ZINC000513596234 1193965749 /nfs/dbraw/zinc/96/57/49/1193965749.db2.gz YNIVTYOIPAHPNM-HNNXBMFYSA-N 1 2 387.484 0.319 10 0 GCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000434480851 1194847269 /nfs/dbraw/zinc/84/72/69/1194847269.db2.gz OJVCTAWQWAQWJD-CYBMUJFWSA-N 1 2 389.456 0.316 10 0 GCAELO C[C@H]1CCc2nc(NC(=O)C(=O)NC[C@H](O)C[NH+]3CCOCC3)sc2C1 ZINC000434967808 1194880339 /nfs/dbraw/zinc/88/03/39/1194880339.db2.gz ISHHEMQPUOTOTH-RYUDHWBXSA-N 1 2 382.486 0.016 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000514962202 1194931951 /nfs/dbraw/zinc/93/19/51/1194931951.db2.gz HCJCPAYHPAVDAA-ICUGJSFKSA-N 1 2 393.528 0.875 10 0 GCAELO CO[C@H](C)[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000467346973 1195024101 /nfs/dbraw/zinc/02/41/01/1195024101.db2.gz MSELIJYMBBKKNA-LSDHHAIUSA-N 1 2 390.484 0.829 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000519369151 1195396170 /nfs/dbraw/zinc/39/61/70/1195396170.db2.gz ZZBKJDYNLIWHEA-ZHCJQAHYSA-N 1 2 379.501 0.485 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000519369148 1195396206 /nfs/dbraw/zinc/39/62/06/1195396206.db2.gz ZZBKJDYNLIWHEA-DRRXZNNHSA-N 1 2 379.501 0.485 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000519369150 1195396343 /nfs/dbraw/zinc/39/63/43/1195396343.db2.gz ZZBKJDYNLIWHEA-JJTUDDRGSA-N 1 2 379.501 0.485 10 0 GCAELO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[NH2+]C[C@@](C)(F)C3)cc2CC1 ZINC000519548721 1195428958 /nfs/dbraw/zinc/42/89/58/1195428958.db2.gz YNOUUDBRYXIAJD-GOSISDBHSA-N 1 2 383.489 0.956 10 0 GCAELO O=C(NCc1nnc2ccccn21)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000550196380 1195458321 /nfs/dbraw/zinc/45/83/21/1195458321.db2.gz VAVNEVTXINOWHT-UHFFFAOYSA-N 1 2 389.419 0.907 10 0 GCAELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000550303770 1195555548 /nfs/dbraw/zinc/55/55/48/1195555548.db2.gz LJXZYFVJRKRHPN-HNNXBMFYSA-N 1 2 378.498 0.624 10 0 GCAELO Cc1c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cccc1N(C)C ZINC000440995604 1195594866 /nfs/dbraw/zinc/59/48/66/1195594866.db2.gz WNIUHKBFZNLXSY-HNNXBMFYSA-N 1 2 378.473 0.151 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)nn1-c1ccc(C)cc1 ZINC000190035803 1195755534 /nfs/dbraw/zinc/75/55/34/1195755534.db2.gz RYUWBSIGWBTRKF-INIZCTEOSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)nn1-c1ccc(C)cc1 ZINC000190035803 1195755538 /nfs/dbraw/zinc/75/55/38/1195755538.db2.gz RYUWBSIGWBTRKF-INIZCTEOSA-N 1 2 385.468 0.953 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CC[N@@H+]1CCO ZINC000190032568 1195755655 /nfs/dbraw/zinc/75/56/55/1195755655.db2.gz YKAXUQZVTOHZPI-OAHLLOKOSA-N 1 2 397.479 0.825 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CC[N@H+]1CCO ZINC000190032568 1195755659 /nfs/dbraw/zinc/75/56/59/1195755659.db2.gz YKAXUQZVTOHZPI-OAHLLOKOSA-N 1 2 397.479 0.825 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)CC[N@@H+]1CCO ZINC000190039751 1195755713 /nfs/dbraw/zinc/75/57/13/1195755713.db2.gz XHKLOTUEIRMWKT-INIZCTEOSA-N 1 2 385.468 0.589 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)CC[N@H+]1CCO ZINC000190039751 1195755717 /nfs/dbraw/zinc/75/57/17/1195755717.db2.gz XHKLOTUEIRMWKT-INIZCTEOSA-N 1 2 385.468 0.589 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC[N@@H+]1CCO ZINC000190038986 1195755856 /nfs/dbraw/zinc/75/58/56/1195755856.db2.gz XTYBZOHRNYFFOA-ZDUSSCGKSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC[N@H+]1CCO ZINC000190038986 1195755858 /nfs/dbraw/zinc/75/58/58/1195755858.db2.gz XTYBZOHRNYFFOA-ZDUSSCGKSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2ccc(Cl)cc2)CC[N@@H+]1CCO ZINC000190053158 1195756496 /nfs/dbraw/zinc/75/64/96/1195756496.db2.gz SCDILUFPIFBXQL-CYBMUJFWSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2ccc(Cl)cc2)CC[N@H+]1CCO ZINC000190053158 1195756500 /nfs/dbraw/zinc/75/65/00/1195756500.db2.gz SCDILUFPIFBXQL-CYBMUJFWSA-N 1 2 391.859 0.989 10 0 GCAELO COCC1(O)CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000521218760 1195979221 /nfs/dbraw/zinc/97/92/21/1195979221.db2.gz XSNWULYZYUAOMC-UHFFFAOYSA-N 1 2 386.452 0.548 10 0 GCAELO C/C(=C\C(=O)N1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000909570994 1196379307 /nfs/dbraw/zinc/37/93/07/1196379307.db2.gz WWWKOYSOHPEJOS-HFQYIWAZSA-N 1 2 375.473 0.670 10 0 GCAELO C/C(=C\C(=O)N1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000909570994 1196379312 /nfs/dbraw/zinc/37/93/12/1196379312.db2.gz WWWKOYSOHPEJOS-HFQYIWAZSA-N 1 2 375.473 0.670 10 0 GCAELO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000523004078 1196385095 /nfs/dbraw/zinc/38/50/95/1196385095.db2.gz SKMGLMMQIDUWEU-UHFFFAOYSA-N 1 2 376.461 0.380 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)Cc3cc[nH]n3)c2)CC1 ZINC000445089792 1196546348 /nfs/dbraw/zinc/54/63/48/1196546348.db2.gz IMMHSFWDARYYID-UHFFFAOYSA-N 1 2 398.467 0.671 10 0 GCAELO CN(Cc1cnccn1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524016366 1196571341 /nfs/dbraw/zinc/57/13/41/1196571341.db2.gz KFJNEAGHIOOBPI-UHFFFAOYSA-N 1 2 383.456 0.752 10 0 GCAELO CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524574796 1196607374 /nfs/dbraw/zinc/60/73/74/1196607374.db2.gz YQECVJNXPAXVSM-CVEARBPZSA-N 1 2 381.473 0.110 10 0 GCAELO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525941583 1196728430 /nfs/dbraw/zinc/72/84/30/1196728430.db2.gz KQNLQKVCXGNQON-RDBSUJKOSA-N 1 2 377.407 0.966 10 0 GCAELO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000447906297 1196756433 /nfs/dbraw/zinc/75/64/33/1196756433.db2.gz XBXOXNSDQBTXCP-OAQYLSRUSA-N 1 2 385.464 0.823 10 0 GCAELO O=C(NCCNS(=O)(=O)c1cccnc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000448470661 1196804788 /nfs/dbraw/zinc/80/47/88/1196804788.db2.gz HDMAOVKKGLSMIP-UHFFFAOYSA-N 1 2 378.458 0.672 10 0 GCAELO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3cccnn3)cc2)CC1 ZINC000528397810 1196855642 /nfs/dbraw/zinc/85/56/42/1196855642.db2.gz RXCFXNOBDJOAHU-UHFFFAOYSA-N 1 2 397.479 0.992 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451134006 1196974663 /nfs/dbraw/zinc/97/46/63/1196974663.db2.gz KKSKCINCFMQYLB-OAHLLOKOSA-N 1 2 376.409 0.923 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451134006 1196974664 /nfs/dbraw/zinc/97/46/64/1196974664.db2.gz KKSKCINCFMQYLB-OAHLLOKOSA-N 1 2 376.409 0.923 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451134005 1196974739 /nfs/dbraw/zinc/97/47/39/1196974739.db2.gz KKSKCINCFMQYLB-HNNXBMFYSA-N 1 2 376.409 0.923 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451134005 1196974740 /nfs/dbraw/zinc/97/47/40/1196974740.db2.gz KKSKCINCFMQYLB-HNNXBMFYSA-N 1 2 376.409 0.923 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1)C2 ZINC000530287381 1196975246 /nfs/dbraw/zinc/97/52/46/1196975246.db2.gz VPAPKBSNJUZZEG-QWHCGFSZSA-N 1 2 396.513 0.400 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1)CC2 ZINC000530287381 1196975247 /nfs/dbraw/zinc/97/52/47/1196975247.db2.gz VPAPKBSNJUZZEG-QWHCGFSZSA-N 1 2 396.513 0.400 10 0 GCAELO CCc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n1 ZINC000174513838 1197181113 /nfs/dbraw/zinc/18/11/13/1197181113.db2.gz CHVSVRCMRYPTNI-ZDUSSCGKSA-N 1 2 394.545 0.738 10 0 GCAELO CCc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n1 ZINC000174513838 1197181118 /nfs/dbraw/zinc/18/11/18/1197181118.db2.gz CHVSVRCMRYPTNI-ZDUSSCGKSA-N 1 2 394.545 0.738 10 0 GCAELO Cn1cc(N2CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2=O)cn1 ZINC000176442083 1197186952 /nfs/dbraw/zinc/18/69/52/1197186952.db2.gz ISLLEBKSUGWIQI-UHFFFAOYSA-N 1 2 383.456 0.842 10 0 GCAELO Nc1c(C(=O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000180850999 1197202186 /nfs/dbraw/zinc/20/21/86/1197202186.db2.gz IJLLUKVJCLNMFO-NSHDSACASA-N 1 2 399.455 0.442 10 0 GCAELO Nc1c(C(=O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000180850999 1197202188 /nfs/dbraw/zinc/20/21/88/1197202188.db2.gz IJLLUKVJCLNMFO-NSHDSACASA-N 1 2 399.455 0.442 10 0 GCAELO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000185468672 1197214337 /nfs/dbraw/zinc/21/43/37/1197214337.db2.gz ZBCXZPPICPRZAO-HZSPNIEDSA-N 1 2 377.470 0.610 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000187520779 1197230903 /nfs/dbraw/zinc/23/09/03/1197230903.db2.gz DUQSRBWHELTRFB-GFCCVEGCSA-N 1 2 390.456 0.778 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000187520779 1197230905 /nfs/dbraw/zinc/23/09/05/1197230905.db2.gz DUQSRBWHELTRFB-GFCCVEGCSA-N 1 2 390.456 0.778 10 0 GCAELO Cc1ccn2ncc(C(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)c2n1 ZINC000171181410 1197315056 /nfs/dbraw/zinc/31/50/56/1197315056.db2.gz GJEPALDOQNAQJM-UHFFFAOYSA-N 1 2 377.412 0.677 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129787920 1197369153 /nfs/dbraw/zinc/36/91/53/1197369153.db2.gz MLJZTXQIVQEUQZ-GWCFXTLKSA-N 1 2 381.795 0.613 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129787920 1197369155 /nfs/dbraw/zinc/36/91/55/1197369155.db2.gz MLJZTXQIVQEUQZ-GWCFXTLKSA-N 1 2 381.795 0.613 10 0 GCAELO COc1ccnc(N2CCN(C(=O)C3CC[NH+](Cc4nccn4C)CC3)CC2)n1 ZINC000194261467 1197398810 /nfs/dbraw/zinc/39/88/10/1197398810.db2.gz LXTSSDLGKKFAQX-UHFFFAOYSA-N 1 2 399.499 0.780 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247056017 1197475137 /nfs/dbraw/zinc/47/51/37/1197475137.db2.gz VIXABXVOGHUONJ-SWLSCSKDSA-N 1 2 380.811 0.731 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247056017 1197475138 /nfs/dbraw/zinc/47/51/38/1197475138.db2.gz VIXABXVOGHUONJ-SWLSCSKDSA-N 1 2 380.811 0.731 10 0 GCAELO CCc1nsc(N2CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n1 ZINC000247208413 1197475463 /nfs/dbraw/zinc/47/54/63/1197475463.db2.gz CHVSVRCMRYPTNI-CYBMUJFWSA-N 1 2 394.545 0.738 10 0 GCAELO CCc1nsc(N2CCC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n1 ZINC000247208413 1197475464 /nfs/dbraw/zinc/47/54/64/1197475464.db2.gz CHVSVRCMRYPTNI-CYBMUJFWSA-N 1 2 394.545 0.738 10 0 GCAELO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1=O ZINC000247225655 1197475479 /nfs/dbraw/zinc/47/54/79/1197475479.db2.gz ZENUMJLGCRHOTR-PBHICJAKSA-N 1 2 394.834 0.901 10 0 GCAELO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1=O ZINC000247225655 1197475480 /nfs/dbraw/zinc/47/54/80/1197475480.db2.gz ZENUMJLGCRHOTR-PBHICJAKSA-N 1 2 394.834 0.901 10 0 GCAELO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000261763400 1197514284 /nfs/dbraw/zinc/51/42/84/1197514284.db2.gz RLOMBISUPFMDIT-MRXNPFEDSA-N 1 2 397.497 0.725 10 0 GCAELO COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c1 ZINC000262012249 1197522376 /nfs/dbraw/zinc/52/23/76/1197522376.db2.gz MHPZJLRQMIOFFK-CQSZACIVSA-N 1 2 396.444 0.989 10 0 GCAELO Cn1c2[nH]c(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)nc2c(=O)n(C)c1=O ZINC000162788521 1197571086 /nfs/dbraw/zinc/57/10/86/1197571086.db2.gz VZQUZDLMALRQNO-NEPJUHHUSA-N 1 2 379.486 0.447 10 0 GCAELO Cn1c2[nH]c(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)nc2c(=O)n(C)c1=O ZINC000162788521 1197571090 /nfs/dbraw/zinc/57/10/90/1197571090.db2.gz VZQUZDLMALRQNO-NEPJUHHUSA-N 1 2 379.486 0.447 10 0 GCAELO CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000067644420 1199136097 /nfs/dbraw/zinc/13/60/97/1199136097.db2.gz ZZHPHCPBZJRZBI-OAHLLOKOSA-N 1 2 381.502 0.774 10 0 GCAELO CO[C@H](C)[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000466487006 1199744634 /nfs/dbraw/zinc/74/46/34/1199744634.db2.gz VWVUFIPYUCYBGN-LSDHHAIUSA-N 1 2 399.517 0.256 10 0 GCAELO Cc1cc(N2CCN(C(=O)CN3CCCC[C@@H]3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000154892040 1199837312 /nfs/dbraw/zinc/83/73/12/1199837312.db2.gz VXQFMWTYCJZVIA-MRXNPFEDSA-N 1 2 388.516 0.897 10 0 GCAELO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782899 1199939941 /nfs/dbraw/zinc/93/99/41/1199939941.db2.gz CTTQHHALUGCMIK-INIZCTEOSA-N 1 2 388.468 0.931 10 0 GCAELO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000675280223 1200369487 /nfs/dbraw/zinc/36/94/87/1200369487.db2.gz DUWKGVLCCAVMJY-KRWDZBQOSA-N 1 2 395.525 0.857 10 0 GCAELO NC(=O)[C@@H]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000675803881 1200460361 /nfs/dbraw/zinc/46/03/61/1200460361.db2.gz MEUOENHSEBOPBW-CVEARBPZSA-N 1 2 387.484 0.671 10 0 GCAELO COCCNC(=O)c1ccc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)nc1 ZINC000477859924 1200869913 /nfs/dbraw/zinc/86/99/13/1200869913.db2.gz VXSGJOWQSSARQT-UHFFFAOYSA-N 1 2 389.500 0.814 10 0 GCAELO CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1C ZINC000546097282 1200989410 /nfs/dbraw/zinc/98/94/10/1200989410.db2.gz WTLMAQQFHHJWEA-CYBMUJFWSA-N 1 2 385.472 1.548 10 0 GCAELO C[C@H]1C[N@H+](CCNC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)CCO1 ZINC000727034675 1201331574 /nfs/dbraw/zinc/33/15/74/1201331574.db2.gz SCSLYTNHIVCYPZ-LBPRGKRZSA-N 1 2 380.411 0.950 10 0 GCAELO C[C@H]1C[N@@H+](CCNC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)CCO1 ZINC000727034675 1201331582 /nfs/dbraw/zinc/33/15/82/1201331582.db2.gz SCSLYTNHIVCYPZ-LBPRGKRZSA-N 1 2 380.411 0.950 10 0 GCAELO CC[S@@](=O)CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000735097013 1201676152 /nfs/dbraw/zinc/67/61/52/1201676152.db2.gz WLLMMYFDOYTOPC-AREMUKBSSA-N 1 2 383.514 0.965 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000735197650 1201682823 /nfs/dbraw/zinc/68/28/23/1201682823.db2.gz GMVKANNKAVMMHF-IYJVBRSBSA-N 1 2 381.498 0.903 10 0 GCAELO O=C([C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827610839 1201704375 /nfs/dbraw/zinc/70/43/75/1201704375.db2.gz ACGUNPZZFKRUGJ-VYDXJSESSA-N 1 2 388.386 0.731 10 0 GCAELO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(C)c2C2CC2)CC1 ZINC000770751385 1202112193 /nfs/dbraw/zinc/11/21/93/1202112193.db2.gz YVMWHBPMNFJOAQ-GFCCVEGCSA-N 1 2 377.445 0.332 10 0 GCAELO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)[nH+]1 ZINC000789600221 1205444241 /nfs/dbraw/zinc/44/42/41/1205444241.db2.gz WMGNPJUPQRTCTJ-UHFFFAOYSA-N 1 2 391.819 0.829 10 0 GCAELO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000805375061 1205535498 /nfs/dbraw/zinc/53/54/98/1205535498.db2.gz BUXIBAKDTDYAHW-UHFFFAOYSA-N 1 2 399.557 0.794 10 0 GCAELO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000805379066 1205535860 /nfs/dbraw/zinc/53/58/60/1205535860.db2.gz QRIWDCFBHQGHAD-HUUCEWRRSA-N 1 2 385.530 0.260 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000805622694 1205541740 /nfs/dbraw/zinc/54/17/40/1205541740.db2.gz ZJRMKWUITYHHFH-MOZQLWJVSA-N 1 2 379.526 0.993 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000805622694 1205541743 /nfs/dbraw/zinc/54/17/43/1205541743.db2.gz ZJRMKWUITYHHFH-MOZQLWJVSA-N 1 2 379.526 0.993 10 0 GCAELO CC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000747375400 1205576972 /nfs/dbraw/zinc/57/69/72/1205576972.db2.gz MXSUPGAHYPTHSH-INIZCTEOSA-N 1 2 376.482 0.934 10 0 GCAELO Cn1c[nH+]cc1CCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000773850672 1205821787 /nfs/dbraw/zinc/82/17/87/1205821787.db2.gz DCIKDZHDOQHDRM-CQSZACIVSA-N 1 2 379.461 0.595 10 0 GCAELO Cn1ccnc1[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000774333178 1205869601 /nfs/dbraw/zinc/86/96/01/1205869601.db2.gz BIRXGRMTVKUHFC-MRXNPFEDSA-N 1 2 382.424 0.979 10 0 GCAELO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000774338628 1205869697 /nfs/dbraw/zinc/86/96/97/1205869697.db2.gz SIKXRBSCQOAUJQ-CJNGLKHVSA-N 1 2 382.424 0.979 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000774914574 1205927449 /nfs/dbraw/zinc/92/74/49/1205927449.db2.gz ANOMDFORMZTTQR-RKOGDMNLSA-N 1 2 395.525 0.833 10 0 GCAELO O=S(=O)(N1CCOCC1)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000151907163 530138303 /nfs/dbraw/zinc/13/83/03/530138303.db2.gz HBGGTXHTSVLIJG-UHFFFAOYSA-N 1 2 375.441 0.702 10 0 GCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000104797838 530250289 /nfs/dbraw/zinc/25/02/89/530250289.db2.gz DRLFLERTBNMMII-CQSZACIVSA-N 1 2 399.289 0.809 10 0 GCAELO C[N@H+]1CCO[C@H](CNC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000104797838 530250293 /nfs/dbraw/zinc/25/02/93/530250293.db2.gz DRLFLERTBNMMII-CQSZACIVSA-N 1 2 399.289 0.809 10 0 GCAELO O=C(CSc1nnnn1CC(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329739634 530294355 /nfs/dbraw/zinc/29/43/55/530294355.db2.gz NNLQBGFBFFRDTI-SNVBAGLBSA-N 1 2 380.396 0.261 10 0 GCAELO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890866 530265872 /nfs/dbraw/zinc/26/58/72/530265872.db2.gz DNZRCDLVIVDZAR-RYUDHWBXSA-N 1 2 375.441 0.636 10 0 GCAELO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890866 530265873 /nfs/dbraw/zinc/26/58/73/530265873.db2.gz DNZRCDLVIVDZAR-RYUDHWBXSA-N 1 2 375.441 0.636 10 0 GCAELO O=C(Nc1cccnc1Br)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000179783605 530367605 /nfs/dbraw/zinc/36/76/05/530367605.db2.gz ZLJZRKYEHLKSQJ-LLVKDONJSA-N 1 2 383.246 0.716 10 0 GCAELO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ncn(C)c2Cl)nc[nH+]1 ZINC000173899440 530352801 /nfs/dbraw/zinc/35/28/01/530352801.db2.gz IULDAYBSICCOQS-SNVBAGLBSA-N 1 2 385.881 0.853 10 0 GCAELO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ncn(C)c2Cl)[nH+]cn1 ZINC000173899440 530352804 /nfs/dbraw/zinc/35/28/04/530352804.db2.gz IULDAYBSICCOQS-SNVBAGLBSA-N 1 2 385.881 0.853 10 0 GCAELO C[C@@H](C(F)(F)F)S(=O)(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000184158472 530375147 /nfs/dbraw/zinc/37/51/47/530375147.db2.gz ZOSPZFPAHCXWKG-VIFPVBQESA-N 1 2 378.380 0.766 10 0 GCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc2c(cc1Br)NC(=O)CO2 ZINC000184083455 530375347 /nfs/dbraw/zinc/37/53/47/530375347.db2.gz JJGTUYNPRPMFAV-SNVBAGLBSA-N 1 2 395.257 0.510 10 0 GCAELO C[N@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)CC1(CO)CC1 ZINC000186783506 530379726 /nfs/dbraw/zinc/37/97/26/530379726.db2.gz QFMRCJXMILMVBV-AWEZNQCLSA-N 1 2 386.539 0.968 10 0 GCAELO C[N@@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)CC1(CO)CC1 ZINC000186783506 530379727 /nfs/dbraw/zinc/37/97/27/530379727.db2.gz QFMRCJXMILMVBV-AWEZNQCLSA-N 1 2 386.539 0.968 10 0 GCAELO O=C(Cc1ccc(F)cc1Br)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000188042723 530382517 /nfs/dbraw/zinc/38/25/17/530382517.db2.gz OJQVGAZLQRBIEQ-CYBMUJFWSA-N 1 2 375.238 0.940 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000193718264 530394027 /nfs/dbraw/zinc/39/40/27/530394027.db2.gz XVWJZKNIYBFFHP-YPMHNXCESA-N 1 2 397.273 0.962 10 0 GCAELO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)s1 ZINC000284790603 530387091 /nfs/dbraw/zinc/38/70/91/530387091.db2.gz MDSLKGQFBJKSHJ-CHWSQXEVSA-N 1 2 388.515 0.271 10 0 GCAELO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000284790603 530387093 /nfs/dbraw/zinc/38/70/93/530387093.db2.gz MDSLKGQFBJKSHJ-CHWSQXEVSA-N 1 2 388.515 0.271 10 0 GCAELO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)s1 ZINC000284790606 530387160 /nfs/dbraw/zinc/38/71/60/530387160.db2.gz MDSLKGQFBJKSHJ-OLZOCXBDSA-N 1 2 388.515 0.271 10 0 GCAELO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000284790606 530387162 /nfs/dbraw/zinc/38/71/62/530387162.db2.gz MDSLKGQFBJKSHJ-OLZOCXBDSA-N 1 2 388.515 0.271 10 0 GCAELO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000181443557 530371332 /nfs/dbraw/zinc/37/13/32/530371332.db2.gz GNFTUBMRZFILNA-SNVBAGLBSA-N 1 2 385.262 0.928 10 0 GCAELO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)[C@H]2C1 ZINC000408147123 530411410 /nfs/dbraw/zinc/41/14/10/530411410.db2.gz ZVOPIDYIBZWWIK-FZMZJTMJSA-N 1 2 391.490 0.912 10 0 GCAELO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)[C@H]2C1 ZINC000408147123 530411411 /nfs/dbraw/zinc/41/14/11/530411411.db2.gz ZVOPIDYIBZWWIK-FZMZJTMJSA-N 1 2 391.490 0.912 10 0 GCAELO O=C(Nc1ccc(Br)nc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000162017025 530483717 /nfs/dbraw/zinc/48/37/17/530483717.db2.gz ZAFUBRYBSONESW-GFCCVEGCSA-N 1 2 383.246 0.716 10 0 GCAELO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000111634158 530498396 /nfs/dbraw/zinc/49/83/96/530498396.db2.gz ZTNFTYFNWKIOBN-VXGBXAGGSA-N 1 2 375.441 0.983 10 0 GCAELO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000111634158 530498398 /nfs/dbraw/zinc/49/83/98/530498398.db2.gz ZTNFTYFNWKIOBN-VXGBXAGGSA-N 1 2 375.441 0.983 10 0 GCAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)CC2)s1 ZINC000110944110 530495114 /nfs/dbraw/zinc/49/51/14/530495114.db2.gz VVYQDSKHGBTXHM-AWEZNQCLSA-N 1 2 386.543 0.767 10 0 GCAELO O=C(C[N@H+]1CCOC[C@@H](O)C1)Nc1cccc(I)c1 ZINC000295759098 530574671 /nfs/dbraw/zinc/57/46/71/530574671.db2.gz XUBNKZICGOIMAS-LBPRGKRZSA-N 1 2 376.194 0.923 10 0 GCAELO O=C(C[N@@H+]1CCOC[C@@H](O)C1)Nc1cccc(I)c1 ZINC000295759098 530574675 /nfs/dbraw/zinc/57/46/75/530574675.db2.gz XUBNKZICGOIMAS-LBPRGKRZSA-N 1 2 376.194 0.923 10 0 GCAELO CN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000329587267 530615583 /nfs/dbraw/zinc/61/55/83/530615583.db2.gz RXCCTQGTONLFSZ-INIZCTEOSA-N 1 2 385.555 0.759 10 0 GCAELO CN(C)c1[nH+]cccc1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000043051145 530667174 /nfs/dbraw/zinc/66/71/74/530667174.db2.gz VARGRKDCQDGCNS-UHFFFAOYSA-N 1 2 382.218 0.077 10 0 GCAELO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1C ZINC000472680837 530706998 /nfs/dbraw/zinc/70/69/98/530706998.db2.gz BLERUWDUGNHMQE-CABCVRRESA-N 1 2 381.564 0.546 10 0 GCAELO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CCSC[C@@H]1CCO ZINC000478889907 530754386 /nfs/dbraw/zinc/75/43/86/530754386.db2.gz WCGNPBLWNXAZHW-AWEZNQCLSA-N 1 2 383.539 0.549 10 0 GCAELO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CCSC[C@@H]1CCO ZINC000478889907 530754390 /nfs/dbraw/zinc/75/43/90/530754390.db2.gz WCGNPBLWNXAZHW-AWEZNQCLSA-N 1 2 383.539 0.549 10 0 GCAELO Cn1cnc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1Cl ZINC000121316821 530775950 /nfs/dbraw/zinc/77/59/50/530775950.db2.gz MYRQBRLRFQUTLT-UONOGXRCSA-N 1 2 384.889 0.987 10 0 GCAELO Cn1cnc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1Cl ZINC000121316821 530775951 /nfs/dbraw/zinc/77/59/51/530775951.db2.gz MYRQBRLRFQUTLT-UONOGXRCSA-N 1 2 384.889 0.987 10 0 GCAELO COC(=O)c1c(F)ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1F ZINC000374406955 530791705 /nfs/dbraw/zinc/79/17/05/530791705.db2.gz RYIUQGAEYJLWFW-UHFFFAOYSA-N 1 2 378.397 0.440 10 0 GCAELO COC(=O)c1c(F)ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1F ZINC000374406955 530791707 /nfs/dbraw/zinc/79/17/07/530791707.db2.gz RYIUQGAEYJLWFW-UHFFFAOYSA-N 1 2 378.397 0.440 10 0 GCAELO C[C@@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)C[C@H]1[NH+]1CCOCC1 ZINC000173865952 530847763 /nfs/dbraw/zinc/84/77/63/530847763.db2.gz ONWJMAGUNRAMRB-ZYHUDNBSSA-N 1 2 395.261 0.680 10 0 GCAELO COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178965437 530851914 /nfs/dbraw/zinc/85/19/14/530851914.db2.gz DTDOKTWSMIQUIN-LLVKDONJSA-N 1 2 397.273 0.512 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180251832 530853529 /nfs/dbraw/zinc/85/35/29/530853529.db2.gz UGQAWHPUWCYPMR-YPMHNXCESA-N 1 2 397.273 0.962 10 0 GCAELO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000195464003 530950370 /nfs/dbraw/zinc/95/03/70/530950370.db2.gz LLUCERQILAEITN-CQSZACIVSA-N 1 2 381.420 0.952 10 0 GCAELO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000195464003 530950373 /nfs/dbraw/zinc/95/03/73/530950373.db2.gz LLUCERQILAEITN-CQSZACIVSA-N 1 2 381.420 0.952 10 0 GCAELO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1coc(Br)c1 ZINC000172323974 530970624 /nfs/dbraw/zinc/97/06/24/530970624.db2.gz UBAZMQUMJRFHHA-GFCCVEGCSA-N 1 2 386.246 0.705 10 0 GCAELO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000261710736 530989770 /nfs/dbraw/zinc/98/97/70/530989770.db2.gz PMYAHKPNZOSOGX-HNNXBMFYSA-N 1 2 388.511 0.549 10 0 GCAELO C[C@@H](C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)CS(C)(=O)=O ZINC000119151713 531042495 /nfs/dbraw/zinc/04/24/95/531042495.db2.gz NKQBRRFXUWXOPD-NSHDSACASA-N 1 2 394.481 0.955 10 0 GCAELO COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263219889 531104490 /nfs/dbraw/zinc/10/44/90/531104490.db2.gz LRBSUHHCLCEZNS-ZDUSSCGKSA-N 1 2 377.413 0.225 10 0 GCAELO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000368646772 531087584 /nfs/dbraw/zinc/08/75/84/531087584.db2.gz WEORCIXRTDAXBX-RRFJBIMHSA-N 1 2 375.535 0.829 10 0 GCAELO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000368646772 531087586 /nfs/dbraw/zinc/08/75/86/531087586.db2.gz WEORCIXRTDAXBX-RRFJBIMHSA-N 1 2 375.535 0.829 10 0 GCAELO O=c1c2cc(Br)cc(F)c2ncn1C[C@H](O)C[NH+]1CCOCC1 ZINC000134619313 531098053 /nfs/dbraw/zinc/09/80/53/531098053.db2.gz SJHVOOIIUICNQB-LLVKDONJSA-N 1 2 386.221 0.991 10 0 GCAELO CNS(=O)(=O)c1csc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000673992042 531120695 /nfs/dbraw/zinc/12/06/95/531120695.db2.gz WZOFROSZPRABHZ-CYBMUJFWSA-N 1 2 387.527 0.983 10 0 GCAELO NC(=O)c1ncc(Br)cc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000680330809 531160383 /nfs/dbraw/zinc/16/03/83/531160383.db2.gz VRBHUTAHXXUWLY-UHFFFAOYSA-N 1 2 382.262 0.344 10 0 GCAELO COCCN1CCC[C@@](O)(C[N@@H+]2CCN(c3cc(C)cc(C)c3)C(=O)C2)C1=O ZINC000067878795 205266280 /nfs/dbraw/zinc/26/62/80/205266280.db2.gz BBDICBKKXCYWPV-OAQYLSRUSA-N 1 2 389.496 0.952 10 0 GCAELO COCCN1CCC[C@@](O)(C[N@H+]2CCN(c3cc(C)cc(C)c3)C(=O)C2)C1=O ZINC000067878795 205266283 /nfs/dbraw/zinc/26/62/83/205266283.db2.gz BBDICBKKXCYWPV-OAQYLSRUSA-N 1 2 389.496 0.952 10 0 GCAELO CCNC(=O)[C@@H]1C[C@@H](NC(=O)CO)C[N@@H+]1Cc1cc2cc(F)ccc2n1C ZINC000091620162 211198186 /nfs/dbraw/zinc/19/81/86/211198186.db2.gz XPSMWAPNOFXKMZ-PBHICJAKSA-N 1 2 376.432 0.505 10 0 GCAELO CCNC(=O)[C@@H]1C[C@@H](NC(=O)CO)C[N@H+]1Cc1cc2cc(F)ccc2n1C ZINC000091620162 211198191 /nfs/dbraw/zinc/19/81/91/211198191.db2.gz XPSMWAPNOFXKMZ-PBHICJAKSA-N 1 2 376.432 0.505 10 0 GCAELO Cn1nc(-c2ccccn2)cc1NC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000096139959 570212755 /nfs/dbraw/zinc/21/27/55/570212755.db2.gz BFUCTQSHONZPQQ-UHFFFAOYSA-N 1 2 381.444 0.923 10 0 GCAELO C/C(=C/C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)C[NH+]1CCOCC1 ZINC000908125917 639440264 /nfs/dbraw/zinc/44/02/64/639440264.db2.gz SGQMSJJPNNNIKA-NXIHDVOMSA-N 1 2 387.424 0.203 10 0 GCAELO C/C(=C\C(=O)NCCNS(=O)(=O)c1ccc(C)s1)C[NH+]1CCOCC1 ZINC000901149789 639815787 /nfs/dbraw/zinc/81/57/87/639815787.db2.gz NHMJSOAAAAFMRW-ACCUITESSA-N 1 2 387.527 0.730 10 0 GCAELO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCSC[C@@H]2CCO)CC1 ZINC000775430252 641076052 /nfs/dbraw/zinc/07/60/52/641076052.db2.gz NJGLDFPFCYARPY-AWEZNQCLSA-N 1 2 379.548 0.005 10 0 GCAELO Cn1nc(C(F)(F)F)c(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1Cl ZINC000828589466 641887503 /nfs/dbraw/zinc/88/75/03/641887503.db2.gz ISPMHFNGMKOBEB-QMMMGPOBSA-N 1 2 385.774 0.907 10 0 GCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(Br)n1 ZINC000190030597 642054473 /nfs/dbraw/zinc/05/44/73/642054473.db2.gz QOUBEGDBEHRJHF-LLVKDONJSA-N 1 2 385.262 0.616 10 0 GCAELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(Br)n1 ZINC000190030597 642054480 /nfs/dbraw/zinc/05/44/80/642054480.db2.gz QOUBEGDBEHRJHF-LLVKDONJSA-N 1 2 385.262 0.616 10 0 GCAELO C/C(=C/C(=O)NCCNS(=O)(=O)c1ccc(C)s1)C[NH+]1CCOCC1 ZINC000901149801 642125028 /nfs/dbraw/zinc/12/50/28/642125028.db2.gz NHMJSOAAAAFMRW-QBFSEMIESA-N 1 2 387.527 0.730 10 0 GCAELO CC(C)N(Cc1ccccc1)C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000549832898 1192895486 /nfs/dbraw/zinc/89/54/86/1192895486.db2.gz PGNIVINSZBUWAR-SFHVURJKSA-N 1 2 377.485 0.575 10 0 GCAELO CC[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCN1CC(F)F ZINC000179553783 1184395352 /nfs/dbraw/zinc/39/53/52/1184395352.db2.gz BHXGKDQXEHWOGI-OAHLLOKOSA-N 1 2 376.492 0.875 10 0 GCAELO C[C@@H]1CN(c2nc(N3CC(=O)N(C)[C@H](C)C3)c3c([nH+]2)CCS3)CC(=O)N1C ZINC000286519117 1184723818 /nfs/dbraw/zinc/72/38/18/1184723818.db2.gz RLRGRKSPAVIJBC-VXGBXAGGSA-N 1 2 390.513 0.459 10 0 GCAELO Cn1cc[nH+]c1C[C@H](NC(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000683566546 1184779084 /nfs/dbraw/zinc/77/90/84/1184779084.db2.gz AIABNYXIRPNFJB-GJZGRUSLSA-N 1 2 377.470 0.776 10 0 GCAELO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 ZINC000276198358 1185677343 /nfs/dbraw/zinc/67/73/43/1185677343.db2.gz JDDXXUMKQFIURA-KRWDZBQOSA-N 1 2 387.484 0.201 10 0 GCAELO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 ZINC000276198358 1185677349 /nfs/dbraw/zinc/67/73/49/1185677349.db2.gz JDDXXUMKQFIURA-KRWDZBQOSA-N 1 2 387.484 0.201 10 0 GCAELO C[C@H]([C@H](C)NC(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1)[NH+]1CCOCC1 ZINC000276681790 1185960512 /nfs/dbraw/zinc/96/05/12/1185960512.db2.gz ZTZILVWHTVREMC-GVDBMIGSSA-N 1 2 376.505 0.802 10 0 GCAELO CO[C@H]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000472145998 1186388417 /nfs/dbraw/zinc/38/84/17/1186388417.db2.gz PHGRXDZTMXJZNT-CVEARBPZSA-N 1 2 390.488 0.712 10 0 GCAELO CO[C@H]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000472145998 1186388421 /nfs/dbraw/zinc/38/84/21/1186388421.db2.gz PHGRXDZTMXJZNT-CVEARBPZSA-N 1 2 390.488 0.712 10 0 GCAELO CN1CC[NH+](Cc2cccc(NC(=O)[C@@](C)(O)Cn3ccccc3=O)c2)CC1 ZINC000548716305 1186478366 /nfs/dbraw/zinc/47/83/66/1186478366.db2.gz UBOLTUNHHKVWMN-NRFANRHFSA-N 1 2 384.480 0.985 10 0 GCAELO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152396227 1186495791 /nfs/dbraw/zinc/49/57/91/1186495791.db2.gz ARMPCOLHUQTRFW-WMLDXEAASA-N 1 2 384.839 0.593 10 0 GCAELO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152396227 1186495792 /nfs/dbraw/zinc/49/57/92/1186495792.db2.gz ARMPCOLHUQTRFW-WMLDXEAASA-N 1 2 384.839 0.593 10 0 GCAELO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000119832209 1186539692 /nfs/dbraw/zinc/53/96/92/1186539692.db2.gz IQEIYQHOFUCIKK-OAHLLOKOSA-N 1 2 376.432 0.874 10 0 GCAELO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000119832209 1186539696 /nfs/dbraw/zinc/53/96/96/1186539696.db2.gz IQEIYQHOFUCIKK-OAHLLOKOSA-N 1 2 376.432 0.874 10 0 GCAELO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000119850458 1186546291 /nfs/dbraw/zinc/54/62/91/1186546291.db2.gz FGJZIELDGJSGMZ-GOSISDBHSA-N 1 2 386.496 0.658 10 0 GCAELO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000119850458 1186546294 /nfs/dbraw/zinc/54/62/94/1186546294.db2.gz FGJZIELDGJSGMZ-GOSISDBHSA-N 1 2 386.496 0.658 10 0 GCAELO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000583769360 1186936282 /nfs/dbraw/zinc/93/62/82/1186936282.db2.gz CASKNSDCGNGQQG-UHFFFAOYSA-N 1 2 386.456 0.285 10 0 GCAELO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000583896816 1186959334 /nfs/dbraw/zinc/95/93/34/1186959334.db2.gz POPIYJDLXKRTOB-KRWDZBQOSA-N 1 2 395.525 0.987 10 0 GCAELO CS(=O)(=O)NCC1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000376633259 1188011852 /nfs/dbraw/zinc/01/18/52/1188011852.db2.gz SSTHWKJPQNNMHY-UHFFFAOYSA-N 1 2 383.518 0.733 10 0 GCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511569353 1189552640 /nfs/dbraw/zinc/55/26/40/1189552640.db2.gz ABXJPSWEDYRNBC-IRXDYDNUSA-N 1 2 390.484 0.686 10 0 GCAELO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511569353 1189552644 /nfs/dbraw/zinc/55/26/44/1189552644.db2.gz ABXJPSWEDYRNBC-IRXDYDNUSA-N 1 2 390.484 0.686 10 0 GCAELO CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)cc21 ZINC000416667786 1189568327 /nfs/dbraw/zinc/56/83/27/1189568327.db2.gz PYJBTRSZXVJWDO-KGLIPLIRSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)cc21 ZINC000416667786 1189568330 /nfs/dbraw/zinc/56/83/30/1189568330.db2.gz PYJBTRSZXVJWDO-KGLIPLIRSA-N 1 2 381.498 0.671 10 0 GCAELO Cc1nc(N2CCN(C(=O)C(=O)Nc3cccnc3-n3cccn3)CC2)cc[nH+]1 ZINC000363956234 1189592011 /nfs/dbraw/zinc/59/20/11/1189592011.db2.gz AISZTKGTSTXVIP-UHFFFAOYSA-N 1 2 392.423 0.653 10 0 GCAELO C[C@H]1CCCN(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000027970749 1189816564 /nfs/dbraw/zinc/81/65/64/1189816564.db2.gz PZHIYSLPSLTZDS-ZDUSSCGKSA-N 1 2 379.490 0.462 10 0 GCAELO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247178528 1193734057 /nfs/dbraw/zinc/73/40/57/1193734057.db2.gz ROYJYHZCBTURMA-UKRRQHHQSA-N 1 2 378.498 0.839 10 0 GCAELO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247178528 1193734059 /nfs/dbraw/zinc/73/40/59/1193734059.db2.gz ROYJYHZCBTURMA-UKRRQHHQSA-N 1 2 378.498 0.839 10 0 GCAELO CC(=O)N1CC[NH+](CCNC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000729315338 1193911532 /nfs/dbraw/zinc/91/15/32/1193911532.db2.gz APYSKNJJKAVGSQ-VMPITWQZSA-N 1 2 394.497 0.352 10 0 GCAELO Cn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2cc(F)ccc21 ZINC000366606039 1194868567 /nfs/dbraw/zinc/86/85/67/1194868567.db2.gz FKDOQHASNRFDGT-OAHLLOKOSA-N 1 2 388.443 0.980 10 0 GCAELO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1F ZINC000434784773 1194869510 /nfs/dbraw/zinc/86/95/10/1194869510.db2.gz MOTYYZIIZVAWNO-GOSISDBHSA-N 1 2 378.404 0.467 10 0 GCAELO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1F ZINC000434784773 1194869512 /nfs/dbraw/zinc/86/95/12/1194869512.db2.gz MOTYYZIIZVAWNO-GOSISDBHSA-N 1 2 378.404 0.467 10 0 GCAELO COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434787542 1194870062 /nfs/dbraw/zinc/87/00/62/1194870062.db2.gz RBTOZKHHHFUQJX-IBGZPJMESA-N 1 2 390.440 0.037 10 0 GCAELO COc1ccc(CCNC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434787542 1194870065 /nfs/dbraw/zinc/87/00/65/1194870065.db2.gz RBTOZKHHHFUQJX-IBGZPJMESA-N 1 2 390.440 0.037 10 0 GCAELO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCCCOc1ccccc1F ZINC000434798788 1194871349 /nfs/dbraw/zinc/87/13/49/1194871349.db2.gz LRCQDTCMUNIJSH-SFHVURJKSA-N 1 2 378.404 0.385 10 0 GCAELO O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCCCOc1ccccc1F ZINC000434798788 1194871351 /nfs/dbraw/zinc/87/13/51/1194871351.db2.gz LRCQDTCMUNIJSH-SFHVURJKSA-N 1 2 378.404 0.385 10 0 GCAELO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000515539802 1194982413 /nfs/dbraw/zinc/98/24/13/1194982413.db2.gz WQBBPDDPACQCFG-UHFFFAOYSA-N 1 2 380.408 0.821 10 0 GCAELO C[C@](O)(Cn1ccccc1=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436299391 1194995302 /nfs/dbraw/zinc/99/53/02/1194995302.db2.gz FVKQBPWSQVVMGA-NQIIRXRSSA-N 1 2 385.464 0.617 10 0 GCAELO C[C@](O)(Cn1ccccc1=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436299391 1194995305 /nfs/dbraw/zinc/99/53/05/1194995305.db2.gz FVKQBPWSQVVMGA-NQIIRXRSSA-N 1 2 385.464 0.617 10 0 GCAELO COC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000437396922 1195105822 /nfs/dbraw/zinc/10/58/22/1195105822.db2.gz YHKNEUUJUGIGFF-SJLPKXTDSA-N 1 2 393.459 0.810 10 0 GCAELO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000438989546 1195275381 /nfs/dbraw/zinc/27/53/81/1195275381.db2.gz FXJWBRIBNPBWMZ-UHFFFAOYSA-N 1 2 399.451 1.118 10 0 GCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000519013166 1195359163 /nfs/dbraw/zinc/35/91/63/1195359163.db2.gz PYOVUEKVIGFDLM-UHFFFAOYSA-N 1 2 385.424 0.370 10 0 GCAELO Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)CC2)[nH]1 ZINC000440745354 1195580254 /nfs/dbraw/zinc/58/02/54/1195580254.db2.gz GAHANEWZDTZACJ-UHFFFAOYSA-N 1 2 394.439 0.582 10 0 GCAELO O=C(C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000328887200 1195674214 /nfs/dbraw/zinc/67/42/14/1195674214.db2.gz OLTUVCHYMYCKFT-SQNIBIBYSA-N 1 2 379.501 0.870 10 0 GCAELO O=C(C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000328887200 1195674215 /nfs/dbraw/zinc/67/42/15/1195674215.db2.gz OLTUVCHYMYCKFT-SQNIBIBYSA-N 1 2 379.501 0.870 10 0 GCAELO CC(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000330419376 1195688092 /nfs/dbraw/zinc/68/80/92/1195688092.db2.gz FTLWQLZEZMQTDM-INIZCTEOSA-N 1 2 376.482 0.351 10 0 GCAELO C[C@H]1CN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC[N@@H+]1CCO ZINC000188820449 1195739192 /nfs/dbraw/zinc/73/91/92/1195739192.db2.gz SYKFNDYVUFUMHC-NSHDSACASA-N 1 2 384.362 0.820 10 0 GCAELO C[C@H]1CN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC[N@H+]1CCO ZINC000188820449 1195739193 /nfs/dbraw/zinc/73/91/93/1195739193.db2.gz SYKFNDYVUFUMHC-NSHDSACASA-N 1 2 384.362 0.820 10 0 GCAELO Cc1ccccc1-c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)n(C)n1 ZINC000190034136 1195755905 /nfs/dbraw/zinc/75/59/05/1195755905.db2.gz IXXSFYVXPUZGTR-OAHLLOKOSA-N 1 2 385.468 0.859 10 0 GCAELO Cc1ccccc1-c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n(C)n1 ZINC000190034136 1195755909 /nfs/dbraw/zinc/75/59/09/1195755909.db2.gz IXXSFYVXPUZGTR-OAHLLOKOSA-N 1 2 385.468 0.859 10 0 GCAELO CCc1nc(C(C)(C)NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)no1 ZINC000441712551 1195823513 /nfs/dbraw/zinc/82/35/13/1195823513.db2.gz FONDMBXGKUMHLY-CQSZACIVSA-N 1 2 393.488 0.697 10 0 GCAELO CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000441891343 1195929287 /nfs/dbraw/zinc/92/92/87/1195929287.db2.gz APCKIJBCOIJNNR-CQSZACIVSA-N 1 2 399.488 0.964 10 0 GCAELO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 ZINC000520932041 1195939233 /nfs/dbraw/zinc/93/92/33/1195939233.db2.gz YJWCRVNOMPKCFL-HNNXBMFYSA-N 1 2 395.481 0.352 10 0 GCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442054896 1195947281 /nfs/dbraw/zinc/94/72/81/1195947281.db2.gz SXFLTWXDOSQNPC-CQSZACIVSA-N 1 2 394.497 0.492 10 0 GCAELO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CCSC[C@H]1CCO ZINC000550549428 1196083879 /nfs/dbraw/zinc/08/38/79/1196083879.db2.gz DETMJJOISLMULG-QGZVFWFLSA-N 1 2 388.493 0.874 10 0 GCAELO Cn1ccnc1CN1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000329142995 1196168383 /nfs/dbraw/zinc/16/83/83/1196168383.db2.gz LRQJMTDZUJFESG-UHFFFAOYSA-N 1 2 385.516 0.710 10 0 GCAELO Cc1nnc(CN2CCN(C(=O)C3CC[NH+](Cc4nccn4C)CC3)CC2)[nH]1 ZINC000329212339 1196177067 /nfs/dbraw/zinc/17/70/67/1196177067.db2.gz HTVYKWRYCKRBCC-UHFFFAOYSA-N 1 2 386.504 0.403 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)C2 ZINC000474895983 1196189226 /nfs/dbraw/zinc/18/92/26/1196189226.db2.gz BUPPAVVMBOXYIW-QWHCGFSZSA-N 1 2 383.518 0.670 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)CC2 ZINC000474895983 1196189227 /nfs/dbraw/zinc/18/92/27/1196189227.db2.gz BUPPAVVMBOXYIW-QWHCGFSZSA-N 1 2 383.518 0.670 10 0 GCAELO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329410371 1196193306 /nfs/dbraw/zinc/19/33/06/1196193306.db2.gz DRPVEJUCRRGWNK-RBUKOAKNSA-N 1 2 393.528 0.975 10 0 GCAELO C[C@]1(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCC(=O)NC1 ZINC000281100150 1196276858 /nfs/dbraw/zinc/27/68/58/1196276858.db2.gz AINJDHUMLKWASL-JXFKEZNVSA-N 1 2 375.469 0.487 10 0 GCAELO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)Cn1ncn(C)c1=O ZINC000281343406 1196290624 /nfs/dbraw/zinc/29/06/24/1196290624.db2.gz XCGUBYHHZAOCCL-STQMWFEESA-N 1 2 382.465 0.418 10 0 GCAELO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)Cn1ncn(C)c1=O ZINC000281343406 1196290627 /nfs/dbraw/zinc/29/06/27/1196290627.db2.gz XCGUBYHHZAOCCL-STQMWFEESA-N 1 2 382.465 0.418 10 0 GCAELO Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)c1=O ZINC000281826629 1196338594 /nfs/dbraw/zinc/33/85/94/1196338594.db2.gz LPHKUOZZHSNLAK-DOTOQJQBSA-N 1 2 389.500 0.509 10 0 GCAELO Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)c1=O ZINC000281826629 1196338595 /nfs/dbraw/zinc/33/85/95/1196338595.db2.gz LPHKUOZZHSNLAK-DOTOQJQBSA-N 1 2 389.500 0.509 10 0 GCAELO CCO[C@H]1C[C@@](NCC(=O)NCC(C)(C)[NH+]2CCOCC2)(C(=O)OC)C1(C)C ZINC000444785164 1196522606 /nfs/dbraw/zinc/52/26/06/1196522606.db2.gz PWNVUEDLXVIZIX-MGPUTAFESA-N 1 2 399.532 0.550 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC[C@@H](C)O)c2)CC1 ZINC000445080834 1196541588 /nfs/dbraw/zinc/54/15/88/1196541588.db2.gz IEGHAMJWUYNNAO-CQSZACIVSA-N 1 2 376.457 0.176 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H](C)[C@@H](C)CO)CC1 ZINC000445154305 1196553828 /nfs/dbraw/zinc/55/38/28/1196553828.db2.gz ZRRKTNWZWUPPFE-LSDHHAIUSA-N 1 2 390.484 0.422 10 0 GCAELO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000446816875 1196673035 /nfs/dbraw/zinc/67/30/35/1196673035.db2.gz FKTDBHSCWRCUML-HOTGVXAUSA-N 1 2 375.473 0.802 10 0 GCAELO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525941580 1196728532 /nfs/dbraw/zinc/72/85/32/1196728532.db2.gz KQNLQKVCXGNQON-HZSPNIEDSA-N 1 2 377.407 0.966 10 0 GCAELO CCOC(=O)[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC12COC2 ZINC000450569587 1196940359 /nfs/dbraw/zinc/94/03/59/1196940359.db2.gz OFMJJOBGRPNSDQ-LSDHHAIUSA-N 1 2 376.457 0.701 10 0 GCAELO C1=C(CNc2nc(NCC3=CCOCC3)[nH+]c(N3CCOCC3)n2)CCOC1 ZINC000450617591 1196945307 /nfs/dbraw/zinc/94/53/07/1196945307.db2.gz CUIPUJUWHLCDIV-UHFFFAOYSA-N 1 2 388.472 0.069 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](Cc2nc(-c3ccc(OC)nn3)no2)CC12COC2 ZINC000451140799 1196972968 /nfs/dbraw/zinc/97/29/68/1196972968.db2.gz UPGKVSRRLQAYKV-LLVKDONJSA-N 1 2 375.385 0.547 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2nc(-c3ccc(OC)nn3)no2)CC12COC2 ZINC000451140799 1196972970 /nfs/dbraw/zinc/97/29/70/1196972970.db2.gz UPGKVSRRLQAYKV-LLVKDONJSA-N 1 2 375.385 0.547 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC12COC2 ZINC000451128946 1196973977 /nfs/dbraw/zinc/97/39/77/1196973977.db2.gz CHHVEWWATLVVSX-INIZCTEOSA-N 1 2 389.452 0.838 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC12COC2 ZINC000451128946 1196973979 /nfs/dbraw/zinc/97/39/79/1196973979.db2.gz CHHVEWWATLVVSX-INIZCTEOSA-N 1 2 389.452 0.838 10 0 GCAELO CN(Cc1nnnn1C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000532061181 1197110518 /nfs/dbraw/zinc/11/05/18/1197110518.db2.gz FONWGKBYIYNQHO-UHFFFAOYSA-N 1 2 386.460 0.455 10 0 GCAELO O=C(CN1CCN(c2ccccn2)CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000174711909 1197181613 /nfs/dbraw/zinc/18/16/13/1197181613.db2.gz IJTMIKQXMVFQMA-IBGZPJMESA-N 1 2 387.528 0.917 10 0 GCAELO Nc1c(C(=O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000180850978 1197202521 /nfs/dbraw/zinc/20/25/21/1197202521.db2.gz IJLLUKVJCLNMFO-LLVKDONJSA-N 1 2 399.455 0.442 10 0 GCAELO Nc1c(C(=O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000180850978 1197202525 /nfs/dbraw/zinc/20/25/25/1197202525.db2.gz IJLLUKVJCLNMFO-LLVKDONJSA-N 1 2 399.455 0.442 10 0 GCAELO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000185468652 1197214195 /nfs/dbraw/zinc/21/41/95/1197214195.db2.gz ZBCXZPPICPRZAO-MELADBBJSA-N 1 2 377.470 0.610 10 0 GCAELO COCCN1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1=O ZINC000190764202 1197242013 /nfs/dbraw/zinc/24/20/13/1197242013.db2.gz RQXHMXBBGHJIHY-GOSISDBHSA-N 1 2 388.512 0.904 10 0 GCAELO COCCN1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1=O ZINC000190764202 1197242015 /nfs/dbraw/zinc/24/20/15/1197242015.db2.gz RQXHMXBBGHJIHY-GOSISDBHSA-N 1 2 388.512 0.904 10 0 GCAELO Cn1cc(N2CC[C@@H](NC(=O)NC3CCN(c4cccc[nH+]4)CC3)C2=O)cn1 ZINC000117961044 1197338512 /nfs/dbraw/zinc/33/85/12/1197338512.db2.gz IAQPLLPZOMNLMS-MRXNPFEDSA-N 1 2 383.456 0.889 10 0 GCAELO O=C(C[C@H]1CCOc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000332870991 1197345604 /nfs/dbraw/zinc/34/56/04/1197345604.db2.gz QAGKUNDRLMFZAI-IAGOWNOFSA-N 1 2 387.480 0.992 10 0 GCAELO O=C(C[C@@H]1CCOc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000332870989 1197345720 /nfs/dbraw/zinc/34/57/20/1197345720.db2.gz QAGKUNDRLMFZAI-DLBZAZTESA-N 1 2 387.480 0.992 10 0 GCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000124197599 1197352368 /nfs/dbraw/zinc/35/23/68/1197352368.db2.gz NADBBXSEZPMFGL-MRXNPFEDSA-N 1 2 386.496 0.960 10 0 GCAELO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000124197599 1197352369 /nfs/dbraw/zinc/35/23/69/1197352369.db2.gz NADBBXSEZPMFGL-MRXNPFEDSA-N 1 2 386.496 0.960 10 0 GCAELO O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000124151939 1197352386 /nfs/dbraw/zinc/35/23/86/1197352386.db2.gz OVDJSFMBGSILHG-SFHVURJKSA-N 1 2 376.482 0.654 10 0 GCAELO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000532726596 1197405925 /nfs/dbraw/zinc/40/59/25/1197405925.db2.gz SQEBQOBMZGRWOC-QGZVFWFLSA-N 1 2 376.505 0.180 10 0 GCAELO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000532726596 1197405927 /nfs/dbraw/zinc/40/59/27/1197405927.db2.gz SQEBQOBMZGRWOC-QGZVFWFLSA-N 1 2 376.505 0.180 10 0 GCAELO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246046207 1197444066 /nfs/dbraw/zinc/44/40/66/1197444066.db2.gz ARMPCOLHUQTRFW-PBHICJAKSA-N 1 2 384.839 0.593 10 0 GCAELO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246046207 1197444067 /nfs/dbraw/zinc/44/40/67/1197444067.db2.gz ARMPCOLHUQTRFW-PBHICJAKSA-N 1 2 384.839 0.593 10 0 GCAELO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000246985092 1197474463 /nfs/dbraw/zinc/47/44/63/1197474463.db2.gz HKQXNSZRGBBPRJ-JZXOWHBKSA-N 1 2 379.526 0.885 10 0 GCAELO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000246985092 1197474465 /nfs/dbraw/zinc/47/44/65/1197474465.db2.gz HKQXNSZRGBBPRJ-JZXOWHBKSA-N 1 2 379.526 0.885 10 0 GCAELO CNC(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)cn1C ZINC000261811101 1197514989 /nfs/dbraw/zinc/51/49/89/1197514989.db2.gz WYLPHFUAKGKJKS-MRXNPFEDSA-N 1 2 392.481 0.729 10 0 GCAELO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000262178614 1197527010 /nfs/dbraw/zinc/52/70/10/1197527010.db2.gz BGGQYGJAUJWCBV-INIZCTEOSA-N 1 2 396.494 0.325 10 0 GCAELO COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)c(OC)c1 ZINC000262968867 1197539874 /nfs/dbraw/zinc/53/98/74/1197539874.db2.gz LODLXLGGYZRHFK-AWEZNQCLSA-N 1 2 383.395 0.985 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(O)(C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000921720209 1199066695 /nfs/dbraw/zinc/06/66/95/1199066695.db2.gz ZOEXQJFLIWIOJZ-CABCVRRESA-N 1 2 382.411 0.732 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)N2CCC(O)(C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000921720209 1199066701 /nfs/dbraw/zinc/06/67/01/1199066701.db2.gz ZOEXQJFLIWIOJZ-CABCVRRESA-N 1 2 382.411 0.732 10 0 GCAELO CNS(=O)(=O)c1cccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000672637027 1199289181 /nfs/dbraw/zinc/28/91/81/1199289181.db2.gz QFYQCXUKPKWDLV-HIFRSBDPSA-N 1 2 382.486 0.922 10 0 GCAELO Cc1ccccc1OCCC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000065533423 1199326500 /nfs/dbraw/zinc/32/65/00/1199326500.db2.gz ANWRBFVCXCOFDA-UHFFFAOYSA-N 1 2 383.514 0.959 10 0 GCAELO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000672763629 1199330049 /nfs/dbraw/zinc/33/00/49/1199330049.db2.gz AYCMTNGCNXBLCF-OAHLLOKOSA-N 1 2 385.468 0.819 10 0 GCAELO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccncc1 ZINC000676553220 1200567434 /nfs/dbraw/zinc/56/74/34/1200567434.db2.gz FAZSMOSHZPTDGW-HNNXBMFYSA-N 1 2 386.456 0.469 10 0 GCAELO CCCCNc1cc(NCCN2CCN(C(=O)C3CCC3)CC2)nc(N)[nH+]1 ZINC000561184489 1201126269 /nfs/dbraw/zinc/12/62/69/1201126269.db2.gz FKWJZSNFOBGQHD-UHFFFAOYSA-N 1 2 375.521 1.049 10 0 GCAELO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000611405750 1201235878 /nfs/dbraw/zinc/23/58/78/1201235878.db2.gz PVBRZCWXFJNDRP-HNNXBMFYSA-N 1 2 399.451 0.990 10 0 GCAELO C/C(=C\C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000820540353 1201514555 /nfs/dbraw/zinc/51/45/55/1201514555.db2.gz KUDIOBMLSUZYTK-JQIJEIRASA-N 1 2 380.489 0.298 10 0 GCAELO O=C(Nc1ccc2[nH+]ccn2c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000733872625 1201610118 /nfs/dbraw/zinc/61/01/18/1201610118.db2.gz YDSNPPKALNAAFJ-GFCCVEGCSA-N 1 2 375.410 0.438 10 0 GCAELO O=C(Nc1ccc2[nH+]ccn2c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000733872626 1201610182 /nfs/dbraw/zinc/61/01/82/1201610182.db2.gz YDSNPPKALNAAFJ-LBPRGKRZSA-N 1 2 375.410 0.438 10 0 GCAELO CC[S@@](=O)CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000735095676 1201676084 /nfs/dbraw/zinc/67/60/84/1201676084.db2.gz IUSWYXBVOKAGFS-AREMUKBSSA-N 1 2 383.514 0.965 10 0 GCAELO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3nccn3C)cc2)CC1 ZINC000741262505 1201770171 /nfs/dbraw/zinc/77/01/71/1201770171.db2.gz VCRBXBODSOPLNN-UHFFFAOYSA-N 1 2 399.495 0.936 10 0 GCAELO COC(=O)CN(CC[NH+]1CCOCC1)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000742255140 1201794300 /nfs/dbraw/zinc/79/43/00/1201794300.db2.gz PRLKIGRYHLKAQU-UHFFFAOYSA-N 1 2 390.440 0.588 10 0 GCAELO O=C(CN1CCOC[C@@H]1CCO)NCc1ccccc1C[NH+]1CCOCC1 ZINC000767614575 1201981334 /nfs/dbraw/zinc/98/13/34/1201981334.db2.gz VTLYCJIHAHOIRJ-IBGZPJMESA-N 1 2 377.485 0.218 10 0 GCAELO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000768220465 1202008121 /nfs/dbraw/zinc/00/81/21/1202008121.db2.gz PJUGPALZAOIVRP-UHFFFAOYSA-N 1 2 378.502 0.972 10 0 GCAELO Cn1ncc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1C1CC1 ZINC000770755507 1202112164 /nfs/dbraw/zinc/11/21/64/1202112164.db2.gz FYPWEGULSIKYHU-GOEBONIOSA-N 1 2 375.473 0.996 10 0 GCAELO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCCc2[nH]cc[nH+]2)C1=O ZINC000771484967 1202143808 /nfs/dbraw/zinc/14/38/08/1202143808.db2.gz GTETYLDYIOQAGK-IBGZPJMESA-N 1 2 385.424 0.853 10 0 GCAELO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCn2cc[nH+]c2)[C@@H](C)O)cc1C ZINC000771850484 1202167204 /nfs/dbraw/zinc/16/72/04/1202167204.db2.gz LWLKUFAFLATYRN-GDBMZVCRSA-N 1 2 381.454 0.771 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000805608235 1205540688 /nfs/dbraw/zinc/54/06/88/1205540688.db2.gz BQOMJOLBEACISC-MHZLTWQESA-N 1 2 395.529 0.442 10 0 GCAELO O=C(CCNC(=O)[C@H]1CCCC12OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000806717352 1205565350 /nfs/dbraw/zinc/56/53/50/1205565350.db2.gz GVGSUAHYUNWAEF-MRXNPFEDSA-N 1 2 388.468 0.780 10 0 GCAELO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000774338631 1205869682 /nfs/dbraw/zinc/86/96/82/1205869682.db2.gz SIKXRBSCQOAUJQ-XJKSGUPXSA-N 1 2 382.424 0.979 10 0 GCAELO O=C(CSc1nnnn1CC(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329739633 530294629 /nfs/dbraw/zinc/29/46/29/530294629.db2.gz NNLQBGFBFFRDTI-JTQLQIEISA-N 1 2 380.396 0.261 10 0 GCAELO O=C(Cc1cc(F)ccc1Br)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000133030271 530291473 /nfs/dbraw/zinc/29/14/73/530291473.db2.gz XRVFWROZUGKSIK-CYBMUJFWSA-N 1 2 375.238 0.940 10 0 GCAELO O=C(Cc1cc(F)ccc1Br)NC[C@H](O)C[NH+]1CCOCC1 ZINC000133030064 530291693 /nfs/dbraw/zinc/29/16/93/530291693.db2.gz XRVFWROZUGKSIK-ZDUSSCGKSA-N 1 2 375.238 0.940 10 0 GCAELO O=C(C[NH+]1CCN(Cc2ccc(Br)cn2)CC1)N1CCOCC1 ZINC000112200520 530260758 /nfs/dbraw/zinc/26/07/58/530260758.db2.gz AEVRYEYRLXZKEK-UHFFFAOYSA-N 1 2 383.290 0.821 10 0 GCAELO NC(=O)c1c(F)cc(Br)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000094132237 530297469 /nfs/dbraw/zinc/29/74/69/530297469.db2.gz TYTAIRVUDAZELG-JTQLQIEISA-N 1 2 376.226 0.792 10 0 GCAELO O=C(Nc1cncc(Br)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000155918724 530321955 /nfs/dbraw/zinc/32/19/55/530321955.db2.gz KEFKVKIHMAMKBF-LBPRGKRZSA-N 1 2 397.273 0.963 10 0 GCAELO O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000156011277 530322078 /nfs/dbraw/zinc/32/20/78/530322078.db2.gz DSXVUFXXYPVSPQ-CYBMUJFWSA-N 1 2 382.404 0.818 10 0 GCAELO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000283036561 530376431 /nfs/dbraw/zinc/37/64/31/530376431.db2.gz GKXZWDYRYFHFHP-CHWSQXEVSA-N 1 2 388.511 0.956 10 0 GCAELO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000283036561 530376432 /nfs/dbraw/zinc/37/64/32/530376432.db2.gz GKXZWDYRYFHFHP-CHWSQXEVSA-N 1 2 388.511 0.956 10 0 GCAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(I)cc1 ZINC000185148758 530377076 /nfs/dbraw/zinc/37/70/76/530377076.db2.gz WQVJJIOIFJETEC-NEPJUHHUSA-N 1 2 376.194 0.657 10 0 GCAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(I)cc1 ZINC000185148758 530377078 /nfs/dbraw/zinc/37/70/78/530377078.db2.gz WQVJJIOIFJETEC-NEPJUHHUSA-N 1 2 376.194 0.657 10 0 GCAELO Cn1ncc(I)c1-c1nc([C@H]2C[NH+]3CCN2CC3)no1 ZINC000291849098 530443407 /nfs/dbraw/zinc/44/34/07/530443407.db2.gz GOTKJOQPUMRWFH-SECBINFHSA-N 1 2 386.197 0.747 10 0 GCAELO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000111634161 530498229 /nfs/dbraw/zinc/49/82/29/530498229.db2.gz ZTNFTYFNWKIOBN-NEPJUHHUSA-N 1 2 375.441 0.983 10 0 GCAELO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000111634161 530498231 /nfs/dbraw/zinc/49/82/31/530498231.db2.gz ZTNFTYFNWKIOBN-NEPJUHHUSA-N 1 2 375.441 0.983 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CSc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328897426 530518497 /nfs/dbraw/zinc/51/84/97/530518497.db2.gz WDMDNRLWLQURET-ZJUUUORDSA-N 1 2 380.396 0.259 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CSc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328897426 530518499 /nfs/dbraw/zinc/51/84/99/530518499.db2.gz WDMDNRLWLQURET-ZJUUUORDSA-N 1 2 380.396 0.259 10 0 GCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@@H]1C ZINC000408432062 530523937 /nfs/dbraw/zinc/52/39/37/530523937.db2.gz DDOGBMXNKYSCSA-WDEREUQCSA-N 1 2 378.292 0.920 10 0 GCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@@H]1C ZINC000408432062 530523938 /nfs/dbraw/zinc/52/39/38/530523938.db2.gz DDOGBMXNKYSCSA-WDEREUQCSA-N 1 2 378.292 0.920 10 0 GCAELO C[C@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC[N@@H+]1CCO ZINC000188723481 530550076 /nfs/dbraw/zinc/55/00/76/530550076.db2.gz XEWZVVPADJALEJ-NSHDSACASA-N 1 2 398.261 0.821 10 0 GCAELO C[C@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC[N@H+]1CCO ZINC000188723481 530550078 /nfs/dbraw/zinc/55/00/78/530550078.db2.gz XEWZVVPADJALEJ-NSHDSACASA-N 1 2 398.261 0.821 10 0 GCAELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C2 ZINC000329298857 530609702 /nfs/dbraw/zinc/60/97/02/530609702.db2.gz UOLACMCLYUABFL-LBPRGKRZSA-N 1 2 389.543 0.992 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330180041 530628288 /nfs/dbraw/zinc/62/82/88/530628288.db2.gz FRRUSRVAEFWKLF-BFYDXBDKSA-N 1 2 375.535 0.494 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330180041 530628290 /nfs/dbraw/zinc/62/82/90/530628290.db2.gz FRRUSRVAEFWKLF-BFYDXBDKSA-N 1 2 375.535 0.494 10 0 GCAELO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000470197438 530692677 /nfs/dbraw/zinc/69/26/77/530692677.db2.gz IIDMAIKTLFIMNH-CQSZACIVSA-N 1 2 387.527 0.675 10 0 GCAELO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCSC[C@H]2CCO)c1 ZINC000470197438 530692683 /nfs/dbraw/zinc/69/26/83/530692683.db2.gz IIDMAIKTLFIMNH-CQSZACIVSA-N 1 2 387.527 0.675 10 0 GCAELO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367231012 530695503 /nfs/dbraw/zinc/69/55/03/530695503.db2.gz LVQPWJRFLROWBD-HZPDHXFCSA-N 1 2 376.519 0.196 10 0 GCAELO O[C@@H](Cn1nnnc1Cc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000193423258 530751113 /nfs/dbraw/zinc/75/11/13/530751113.db2.gz HLNOXQXLLAXJKZ-CQSZACIVSA-N 1 2 382.262 0.720 10 0 GCAELO O[C@H](Cn1nnnc1Cc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000193423271 530751316 /nfs/dbraw/zinc/75/13/16/530751316.db2.gz HLNOXQXLLAXJKZ-AWEZNQCLSA-N 1 2 382.262 0.720 10 0 GCAELO C[C@@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)C[C@@H]1[NH+]1CCOCC1 ZINC000173865922 530848222 /nfs/dbraw/zinc/84/82/22/530848222.db2.gz ONWJMAGUNRAMRB-PWSUYJOCSA-N 1 2 395.261 0.680 10 0 GCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1Br ZINC000178959224 530851877 /nfs/dbraw/zinc/85/18/77/530851877.db2.gz CODDPLSYPHVMIO-CYBMUJFWSA-N 1 2 381.274 0.812 10 0 GCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)N1CCc2ccc(Br)cc21 ZINC000178962790 530852363 /nfs/dbraw/zinc/85/23/63/530852363.db2.gz XBKKSYXJMREROU-CQSZACIVSA-N 1 2 393.285 0.454 10 0 GCAELO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178958519 530852442 /nfs/dbraw/zinc/85/24/42/530852442.db2.gz FNIYPRCISPHHGV-CYBMUJFWSA-N 1 2 381.274 0.812 10 0 GCAELO O=S(=O)([C@@H]1CC[N@H+](Cc2cnc(N3CCOCC3)s2)C1)N1CCCC1 ZINC000180743546 530853449 /nfs/dbraw/zinc/85/34/49/530853449.db2.gz OUWLJWCTQXHRTP-OAHLLOKOSA-N 1 2 386.543 0.980 10 0 GCAELO O=S(=O)([C@@H]1CC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1)N1CCCC1 ZINC000180743546 530853452 /nfs/dbraw/zinc/85/34/52/530853452.db2.gz OUWLJWCTQXHRTP-OAHLLOKOSA-N 1 2 386.543 0.980 10 0 GCAELO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1F ZINC000193206017 530869287 /nfs/dbraw/zinc/86/92/87/530869287.db2.gz NTAUZTFNZWPZEP-LLVKDONJSA-N 1 2 399.264 0.951 10 0 GCAELO O=C(Nc1ccc(Br)cn1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000193368368 530869396 /nfs/dbraw/zinc/86/93/96/530869396.db2.gz PTCDKSFLYTXTKY-GFCCVEGCSA-N 1 2 383.246 0.716 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ncc1Br ZINC000193914315 530841303 /nfs/dbraw/zinc/84/13/03/530841303.db2.gz MFDDPJHVDSOMBK-NSHDSACASA-N 1 2 385.262 0.616 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ncc1Br ZINC000193914315 530841306 /nfs/dbraw/zinc/84/13/06/530841306.db2.gz MFDDPJHVDSOMBK-NSHDSACASA-N 1 2 385.262 0.616 10 0 GCAELO O=C(C[NH+]1CCN(Cc2cncc(Br)c2)CC1)N1CCOCC1 ZINC000192839604 530973807 /nfs/dbraw/zinc/97/38/07/530973807.db2.gz QDJDZZTZOABKJP-UHFFFAOYSA-N 1 2 383.290 0.821 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)NCCS(N)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247134171 530979462 /nfs/dbraw/zinc/97/94/62/530979462.db2.gz XAQGLNKMTLKHAT-QWHCGFSZSA-N 1 2 378.857 0.812 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)NCCS(N)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247134171 530979463 /nfs/dbraw/zinc/97/94/63/530979463.db2.gz XAQGLNKMTLKHAT-QWHCGFSZSA-N 1 2 378.857 0.812 10 0 GCAELO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCSC[C@H]1CCO ZINC000538187687 531031186 /nfs/dbraw/zinc/03/11/86/531031186.db2.gz LBAAGRDNYGIILF-GDBMZVCRSA-N 1 2 375.560 0.704 10 0 GCAELO CC(C)C[C@@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)[O-] ZINC000255967757 209221175 /nfs/dbraw/zinc/22/11/75/209221175.db2.gz CSFVADKICPDRRF-RRFJBIMHSA-N 1 2 381.477 0.426 10 0 GCAELO CC(C)C[C@@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)[O-] ZINC000255967757 209221177 /nfs/dbraw/zinc/22/11/77/209221177.db2.gz CSFVADKICPDRRF-RRFJBIMHSA-N 1 2 381.477 0.426 10 0 GCAELO Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C[N@H+](C)Cc2ccccc2)cn1 ZINC000328633964 209151287 /nfs/dbraw/zinc/15/12/87/209151287.db2.gz SYADIJYPWWEBFP-KRWDZBQOSA-N 1 2 376.482 0.850 10 0 GCAELO Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000328633964 209151289 /nfs/dbraw/zinc/15/12/89/209151289.db2.gz SYADIJYPWWEBFP-KRWDZBQOSA-N 1 2 376.482 0.850 10 0 GCAELO Cn1c2ccc(S(=O)(=O)NCc3cn4c([nH+]3)CCCC4)cc2n(C)c1=O ZINC000097000826 570885888 /nfs/dbraw/zinc/88/58/88/570885888.db2.gz CBMFENFMLLJQJN-UHFFFAOYSA-N 1 2 375.454 0.888 10 0 GCAELO C/C(=C\C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)C[NH+]1CCOCC1 ZINC000908125914 639440220 /nfs/dbraw/zinc/44/02/20/639440220.db2.gz SGQMSJJPNNNIKA-JATZPVMKSA-N 1 2 387.424 0.203 10 0 GCAELO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000751149396 640376241 /nfs/dbraw/zinc/37/62/41/640376241.db2.gz WDUURHGLOJFXDP-UHFFFAOYSA-N 1 2 377.850 0.210 10 0 GCAELO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000751149396 640376245 /nfs/dbraw/zinc/37/62/45/640376245.db2.gz WDUURHGLOJFXDP-UHFFFAOYSA-N 1 2 377.850 0.210 10 0 GCAELO CCOC(=O)[C@@]1(C)CC(=O)N(C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000795670490 641524230 /nfs/dbraw/zinc/52/42/30/641524230.db2.gz KTHMFPMBIVAXKS-INIZCTEOSA-N 1 2 375.491 0.007 10 0 GCAELO CCc1ccc(C[NH+]2CCN(C(=O)CCC(=O)NCCNC(C)=O)CC2)s1 ZINC000128603934 1192312095 /nfs/dbraw/zinc/31/20/95/1192312095.db2.gz BIWYKWHPFGRMGW-UHFFFAOYSA-N 1 2 394.541 0.987 10 0 GCAELO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cn(C)nc2[C@H]2CCOC2)CC1 ZINC000275520063 1184696946 /nfs/dbraw/zinc/69/69/46/1184696946.db2.gz MBGVYKSHEPKPDB-INIZCTEOSA-N 1 2 391.516 0.940 10 0 GCAELO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cn(C)nc2[C@H]2CCOC2)CC1 ZINC000275520063 1184696952 /nfs/dbraw/zinc/69/69/52/1184696952.db2.gz MBGVYKSHEPKPDB-INIZCTEOSA-N 1 2 391.516 0.940 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO)c2)CC1 ZINC000275681259 1184919615 /nfs/dbraw/zinc/91/96/15/1184919615.db2.gz PJXDOSVTZSLTLB-GJZGRUSLSA-N 1 2 390.484 0.422 10 0 GCAELO CN(CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cn1 ZINC000605378832 1185063072 /nfs/dbraw/zinc/06/30/72/1185063072.db2.gz RZZGAEPWCKSVAM-HNNXBMFYSA-N 1 2 395.891 0.221 10 0 GCAELO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCc1ccccc1Cn1cccn1 ZINC000580898786 1185408606 /nfs/dbraw/zinc/40/86/06/1185408606.db2.gz RRAOTQAJZSMHSM-FQEVSTJZSA-N 1 2 396.451 0.222 10 0 GCAELO O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCc1ccccc1Cn1cccn1 ZINC000580898786 1185408610 /nfs/dbraw/zinc/40/86/10/1185408610.db2.gz RRAOTQAJZSMHSM-FQEVSTJZSA-N 1 2 396.451 0.222 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000581752770 1185878618 /nfs/dbraw/zinc/87/86/18/1185878618.db2.gz SFXSMTZLYOIMQM-ILOCAZANSA-N 1 2 391.512 0.629 10 0 GCAELO CNC(=O)c1cc(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cn1C ZINC000510500870 1186005212 /nfs/dbraw/zinc/00/52/12/1186005212.db2.gz GUESLRPPWKERAB-UHFFFAOYSA-N 1 2 376.482 0.890 10 0 GCAELO CNC(=O)c1cc(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cn1C ZINC000510500870 1186005217 /nfs/dbraw/zinc/00/52/17/1186005217.db2.gz GUESLRPPWKERAB-UHFFFAOYSA-N 1 2 376.482 0.890 10 0 GCAELO NC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000535673907 1186198087 /nfs/dbraw/zinc/19/80/87/1186198087.db2.gz AUCMDZQZESPTQT-LBPRGKRZSA-N 1 2 377.401 0.239 10 0 GCAELO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000535673907 1186198090 /nfs/dbraw/zinc/19/80/90/1186198090.db2.gz AUCMDZQZESPTQT-LBPRGKRZSA-N 1 2 377.401 0.239 10 0 GCAELO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000535673882 1186198496 /nfs/dbraw/zinc/19/84/96/1186198496.db2.gz AUCMDZQZESPTQT-GFCCVEGCSA-N 1 2 377.401 0.239 10 0 GCAELO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000535673882 1186198500 /nfs/dbraw/zinc/19/85/00/1186198500.db2.gz AUCMDZQZESPTQT-GFCCVEGCSA-N 1 2 377.401 0.239 10 0 GCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000151358861 1186286443 /nfs/dbraw/zinc/28/64/43/1186286443.db2.gz NWYDMIHQKJAUOI-LSDHHAIUSA-N 1 2 398.454 0.878 10 0 GCAELO COC[C@@H](NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)c1ccccc1 ZINC000582682094 1186606974 /nfs/dbraw/zinc/60/69/74/1186606974.db2.gz FUKBYQQAHMDTLV-NVXWUHKLSA-N 1 2 391.468 0.586 10 0 GCAELO COC[C@@H](NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)c1ccccc1 ZINC000582682094 1186606976 /nfs/dbraw/zinc/60/69/76/1186606976.db2.gz FUKBYQQAHMDTLV-NVXWUHKLSA-N 1 2 391.468 0.586 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000329245634 1186883396 /nfs/dbraw/zinc/88/33/96/1186883396.db2.gz VGYOZVSVSQDWQK-HZPDHXFCSA-N 1 2 383.514 0.962 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3c(C)cnn3C)cc2)CC1 ZINC000657864061 1187067946 /nfs/dbraw/zinc/06/79/46/1187067946.db2.gz JWCIXBCIHUFOGL-UHFFFAOYSA-N 1 2 398.467 0.970 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)Nc2nn(C)cc2C)CC1 ZINC000658991742 1187833601 /nfs/dbraw/zinc/83/36/01/1187833601.db2.gz HYEIAHJNYAWEDH-UHFFFAOYSA-N 1 2 398.467 0.970 10 0 GCAELO CC1(C)NC(=O)N(CCCN(Cc2cn3c([nH+]2)CCCC3)S(C)(=O)=O)C1=O ZINC000328629391 1188107823 /nfs/dbraw/zinc/10/78/23/1188107823.db2.gz OVCBABLPUANBDT-UHFFFAOYSA-N 1 2 397.501 0.906 10 0 GCAELO CC(=O)N1CCN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC000051153771 1189394572 /nfs/dbraw/zinc/39/45/72/1189394572.db2.gz NEZDMCAJSGAQBO-UHFFFAOYSA-N 1 2 388.516 0.721 10 0 GCAELO C[C@@H](C(=O)N1CCN2CCOC[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000363847717 1189521793 /nfs/dbraw/zinc/52/17/93/1189521793.db2.gz DTQPXAZEBYTGNF-LPHOPBHVSA-N 1 2 376.476 0.879 10 0 GCAELO Cc1cc(C)cc([C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000173521283 1189587750 /nfs/dbraw/zinc/58/77/50/1189587750.db2.gz BPCUWLQQBFZXIH-LJQANCHMSA-N 1 2 396.557 0.447 10 0 GCAELO Cc1nc(N2CCN(CC(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)cc[nH+]1 ZINC000759902306 1189816102 /nfs/dbraw/zinc/81/61/02/1189816102.db2.gz PNPDMAIFTBTASQ-UHFFFAOYSA-N 1 2 389.481 0.949 10 0 GCAELO CCN(C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1)S(C)(=O)=O ZINC000408113509 1189909047 /nfs/dbraw/zinc/90/90/47/1189909047.db2.gz WOVRPJTYORTMCJ-IAGOWNOFSA-N 1 2 387.546 0.902 10 0 GCAELO C[C@H]1CCc2nc(NC(=O)C(=O)NC[C@@H](O)C[NH+]3CCOCC3)sc2C1 ZINC000434967806 1194880279 /nfs/dbraw/zinc/88/02/79/1194880279.db2.gz ISHHEMQPUOTOTH-NWDGAFQWSA-N 1 2 382.486 0.016 10 0 GCAELO C[C@H]1CCc2nc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)sc2C1 ZINC000435047687 1194884845 /nfs/dbraw/zinc/88/48/45/1194884845.db2.gz CCHPMQHNUVQGJJ-STQMWFEESA-N 1 2 396.513 0.358 10 0 GCAELO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435381270 1194926351 /nfs/dbraw/zinc/92/63/51/1194926351.db2.gz VVCRZIFFEXCWQY-UMVBOHGHSA-N 1 2 378.429 0.701 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n(Cc2ccccc2)n1 ZINC000190052264 1195756404 /nfs/dbraw/zinc/75/64/04/1195756404.db2.gz OAICVMIUJSYYCU-INIZCTEOSA-N 1 2 385.468 0.703 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)n(Cc2ccccc2)n1 ZINC000190052264 1195756410 /nfs/dbraw/zinc/75/64/10/1195756410.db2.gz OAICVMIUJSYYCU-INIZCTEOSA-N 1 2 385.468 0.703 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)CC[N@@H+]1CCO ZINC000190047823 1195756661 /nfs/dbraw/zinc/75/66/61/1195756661.db2.gz RZDZXADNCJEMIV-CQSZACIVSA-N 1 2 377.489 0.931 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)CC[N@H+]1CCO ZINC000190047823 1195756664 /nfs/dbraw/zinc/75/66/64/1195756664.db2.gz RZDZXADNCJEMIV-CQSZACIVSA-N 1 2 377.489 0.931 10 0 GCAELO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)cnc21 ZINC000329415924 1196193345 /nfs/dbraw/zinc/19/33/45/1196193345.db2.gz DAYHPLKDQAKKSY-CQSZACIVSA-N 1 2 387.440 0.361 10 0 GCAELO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329596499 1196207930 /nfs/dbraw/zinc/20/79/30/1196207930.db2.gz VTXINFVSAOKJGR-HOTGVXAUSA-N 1 2 395.525 0.796 10 0 GCAELO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329596499 1196207933 /nfs/dbraw/zinc/20/79/33/1196207933.db2.gz VTXINFVSAOKJGR-HOTGVXAUSA-N 1 2 395.525 0.796 10 0 GCAELO Cc1nc(N2CCN(C(=O)NCc3ccc(-n4cncn4)nc3)CC2)cc[nH+]1 ZINC000760096900 1196261969 /nfs/dbraw/zinc/26/19/69/1196261969.db2.gz QJLPASPQFMGYSY-UHFFFAOYSA-N 1 2 379.428 0.793 10 0 GCAELO COCCn1ccc(NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000444504853 1196498684 /nfs/dbraw/zinc/49/86/84/1196498684.db2.gz DRNLDLYXTQDUOY-UHFFFAOYSA-N 1 2 382.424 1.029 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO)CC1 ZINC000445154303 1196554188 /nfs/dbraw/zinc/55/41/88/1196554188.db2.gz ZRRKTNWZWUPPFE-GJZGRUSLSA-N 1 2 390.484 0.422 10 0 GCAELO Cc1nc(N2CCN(C(=O)C(=O)Nc3cn(C)nc3C(F)(F)F)CC2)cc[nH+]1 ZINC000447000639 1196688002 /nfs/dbraw/zinc/68/80/02/1196688002.db2.gz KGHBSIMYYXNAHR-UHFFFAOYSA-N 1 2 397.361 0.825 10 0 GCAELO COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC(=O)N2C)cc1 ZINC000116194529 1196795717 /nfs/dbraw/zinc/79/57/17/1196795717.db2.gz HWZGRDASBHBQFU-ZAAXVRCTSA-N 1 2 388.512 0.967 10 0 GCAELO c1c(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nnn1CC1CC1 ZINC000450428414 1196927385 /nfs/dbraw/zinc/92/73/85/1196927385.db2.gz WCKOWIBTXOSVCJ-UHFFFAOYSA-N 1 2 384.488 0.637 10 0 GCAELO CCOC(=O)[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC12COC2 ZINC000450572825 1196940883 /nfs/dbraw/zinc/94/08/83/1196940883.db2.gz VLSCKNDTEKIUFX-HUUCEWRRSA-N 1 2 376.457 0.844 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)CC12COC2 ZINC000451126718 1196974248 /nfs/dbraw/zinc/97/42/48/1196974248.db2.gz RLRXVRZWRFQCLL-CQSZACIVSA-N 1 2 376.409 0.908 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)CC12COC2 ZINC000451126718 1196974251 /nfs/dbraw/zinc/97/42/51/1196974251.db2.gz RLRXVRZWRFQCLL-CQSZACIVSA-N 1 2 376.409 0.908 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CC1 ZINC000451264409 1196984661 /nfs/dbraw/zinc/98/46/61/1196984661.db2.gz MZTSAAZEDVDDAJ-QSFXBCCZSA-N 1 2 377.460 0.866 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CC1 ZINC000451264409 1196984663 /nfs/dbraw/zinc/98/46/63/1196984663.db2.gz MZTSAAZEDVDDAJ-QSFXBCCZSA-N 1 2 377.460 0.866 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000451264411 1196984789 /nfs/dbraw/zinc/98/47/89/1196984789.db2.gz MZTSAAZEDVDDAJ-ZAAXVRCTSA-N 1 2 377.460 0.866 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000451264411 1196984790 /nfs/dbraw/zinc/98/47/90/1196984790.db2.gz MZTSAAZEDVDDAJ-ZAAXVRCTSA-N 1 2 377.460 0.866 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CC1 ZINC000451264405 1196984823 /nfs/dbraw/zinc/98/48/23/1196984823.db2.gz MZTSAAZEDVDDAJ-CVAIRZPRSA-N 1 2 377.460 0.866 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CC1 ZINC000451264405 1196984825 /nfs/dbraw/zinc/98/48/25/1196984825.db2.gz MZTSAAZEDVDDAJ-CVAIRZPRSA-N 1 2 377.460 0.866 10 0 GCAELO O=C(CN1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1)N1CCCC1 ZINC000122463349 1197036841 /nfs/dbraw/zinc/03/68/41/1197036841.db2.gz HCJWWDQOJQORJS-MOPGFXCFSA-N 1 2 392.544 0.787 10 0 GCAELO O=C(CN1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1)N1CCCC1 ZINC000122463349 1197036846 /nfs/dbraw/zinc/03/68/46/1197036846.db2.gz HCJWWDQOJQORJS-MOPGFXCFSA-N 1 2 392.544 0.787 10 0 GCAELO O=C(CN1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1)N1CCCC1 ZINC000122463827 1197036935 /nfs/dbraw/zinc/03/69/35/1197036935.db2.gz HCJWWDQOJQORJS-OALUTQOASA-N 1 2 392.544 0.787 10 0 GCAELO O=C(CN1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1)N1CCCC1 ZINC000122463827 1197036939 /nfs/dbraw/zinc/03/69/39/1197036939.db2.gz HCJWWDQOJQORJS-OALUTQOASA-N 1 2 392.544 0.787 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCO[C@H](c3ccccc3)C1)c(=O)n2C ZINC000025949255 1197089570 /nfs/dbraw/zinc/08/95/70/1197089570.db2.gz OQGLQSLOQDWWSD-INIZCTEOSA-N 1 2 383.452 0.897 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCO[C@H](c3ccccc3)C1)c(=O)n2C ZINC000025949255 1197089573 /nfs/dbraw/zinc/08/95/73/1197089573.db2.gz OQGLQSLOQDWWSD-INIZCTEOSA-N 1 2 383.452 0.897 10 0 GCAELO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649998 1197254078 /nfs/dbraw/zinc/25/40/78/1197254078.db2.gz MSOLUVLWVWZUQW-MRXNPFEDSA-N 1 2 398.467 0.565 10 0 GCAELO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649304 1197254746 /nfs/dbraw/zinc/25/47/46/1197254746.db2.gz WYKRHIKERUUTJB-INIZCTEOSA-N 1 2 382.472 0.126 10 0 GCAELO CC(=O)N1CCO[C@@H](C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000909673464 1197284096 /nfs/dbraw/zinc/28/40/96/1197284096.db2.gz XXFDZAZWNLVESR-MRXNPFEDSA-N 1 2 395.481 0.183 10 0 GCAELO C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000332810787 1197344443 /nfs/dbraw/zinc/34/44/43/1197344443.db2.gz XBULAAVKMCUFQU-YESZJQIVSA-N 1 2 382.505 0.376 10 0 GCAELO Cc1c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000532675905 1197378725 /nfs/dbraw/zinc/37/87/25/1197378725.db2.gz QXRDPVDUEZNNRB-UHFFFAOYSA-N 1 2 382.424 0.684 10 0 GCAELO CCOC(=O)[C@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC12COC2 ZINC000454250836 1197380144 /nfs/dbraw/zinc/38/01/44/1197380144.db2.gz ITFBGUYIUGTCMB-OAHLLOKOSA-N 1 2 376.457 0.983 10 0 GCAELO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000245779833 1197431511 /nfs/dbraw/zinc/43/15/11/1197431511.db2.gz QZFZGAMDEXGREV-DZKIICNBSA-N 1 2 391.497 0.952 10 0 GCAELO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246898113 1197474479 /nfs/dbraw/zinc/47/44/79/1197474479.db2.gz HNYVIXKTCIDYPN-LZQZEXGQSA-N 1 2 384.484 0.944 10 0 GCAELO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000248639908 1197479658 /nfs/dbraw/zinc/47/96/58/1197479658.db2.gz ZBCXZPPICPRZAO-RDBSUJKOSA-N 1 2 377.470 0.610 10 0 GCAELO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261651826 1197510450 /nfs/dbraw/zinc/51/04/50/1197510450.db2.gz HKSLTLPJJVYGSK-QGZVFWFLSA-N 1 2 395.506 0.961 10 0 GCAELO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000261739350 1197513062 /nfs/dbraw/zinc/51/30/62/1197513062.db2.gz PBBCBBGJLCZTBJ-OAHLLOKOSA-N 1 2 378.454 0.468 10 0 GCAELO COC(=O)Cn1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)cn1 ZINC000261779674 1197514577 /nfs/dbraw/zinc/51/45/77/1197514577.db2.gz TUCAUIIPUOGLPJ-HNNXBMFYSA-N 1 2 394.453 0.400 10 0 GCAELO CN1CCN(S(=O)(=O)N2CC[NH+](Cc3cccc4c3NCC4)CC2)CC1 ZINC000261991382 1197521581 /nfs/dbraw/zinc/52/15/81/1197521581.db2.gz SLFVOXLQVIZFQD-UHFFFAOYSA-N 1 2 379.530 0.264 10 0 GCAELO COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c1 ZINC000262012247 1197522178 /nfs/dbraw/zinc/52/21/78/1197522178.db2.gz MHPZJLRQMIOFFK-AWEZNQCLSA-N 1 2 396.444 0.989 10 0 GCAELO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333451031 1197522711 /nfs/dbraw/zinc/52/27/11/1197522711.db2.gz LUOMULQYLBFSIM-HOTGVXAUSA-N 1 2 390.488 0.224 10 0 GCAELO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000333451031 1197522712 /nfs/dbraw/zinc/52/27/12/1197522712.db2.gz LUOMULQYLBFSIM-HOTGVXAUSA-N 1 2 390.488 0.224 10 0 GCAELO O=C(CNC(=O)c1ccccn1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000172547555 1198978567 /nfs/dbraw/zinc/97/85/67/1198978567.db2.gz OLRRHHYHHNTVPC-SFHVURJKSA-N 1 2 382.464 0.871 10 0 GCAELO c1ncc(N2CC[NH+]([C@H]3CCOC3)CC2)nc1N1CCN([C@H]2CCOC2)CC1 ZINC000672240194 1199168593 /nfs/dbraw/zinc/16/85/93/1199168593.db2.gz JIAIEBFXQHEKNO-ROUUACIJSA-N 1 2 388.516 0.298 10 0 GCAELO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672530612 1199259292 /nfs/dbraw/zinc/25/92/92/1199259292.db2.gz PYPUWJLRMNDDJT-DLBZAZTESA-N 1 2 381.436 0.968 10 0 GCAELO Cc1cccn2cc(CCNC(=O)C(=O)N3CCSC[C@@H]3CCO)[nH+]c12 ZINC000672762942 1199330082 /nfs/dbraw/zinc/33/00/82/1199330082.db2.gz YXONLZVHXZJREC-HNNXBMFYSA-N 1 2 376.482 0.628 10 0 GCAELO Cc1nc(N2CCN(C(=O)C(=O)NCc3csc(N(C)C)n3)CC2)cc[nH+]1 ZINC000672809242 1199340229 /nfs/dbraw/zinc/34/02/29/1199340229.db2.gz STGNOCUODZUBEO-UHFFFAOYSA-N 1 2 389.485 0.273 10 0 GCAELO CC(C)C(=O)N[C@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000673872382 1199963463 /nfs/dbraw/zinc/96/34/63/1199963463.db2.gz NRDGOUBDTIJIOE-INIZCTEOSA-N 1 2 392.504 0.984 10 0 GCAELO O=C(CN1CCN2CCOC[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000543561207 1200126965 /nfs/dbraw/zinc/12/69/65/1200126965.db2.gz KBYKNCQCYOPHAE-FQEVSTJZSA-N 1 2 388.512 0.151 10 0 GCAELO COCCNC(=O)Cn1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000674284860 1200212303 /nfs/dbraw/zinc/21/23/03/1200212303.db2.gz OKQIMOBXWWIZRO-UHFFFAOYSA-N 1 2 375.433 0.780 10 0 GCAELO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccncc1 ZINC000676553283 1200567614 /nfs/dbraw/zinc/56/76/14/1200567614.db2.gz HHZIOOAGOVQDJK-HNNXBMFYSA-N 1 2 386.456 0.469 10 0 GCAELO CC(C)[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(F)(F)F ZINC000471202007 1200760177 /nfs/dbraw/zinc/76/01/77/1200760177.db2.gz JMTXAXIQJPDRIP-ZDUSSCGKSA-N 1 2 391.394 0.857 10 0 GCAELO O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000543682318 1201097101 /nfs/dbraw/zinc/09/71/01/1201097101.db2.gz JTHQSLAOWQNXFD-SFHVURJKSA-N 1 2 395.525 0.621 10 0 GCAELO CCc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)oc1CC ZINC000134927768 1201185516 /nfs/dbraw/zinc/18/55/16/1201185516.db2.gz MOFCODBLDTVFQE-UHFFFAOYSA-N 1 2 398.529 0.654 10 0 GCAELO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000052843782 1201331005 /nfs/dbraw/zinc/33/10/05/1201331005.db2.gz WLDQJEPGOFXMCR-UHFFFAOYSA-N 1 2 392.843 0.413 10 0 GCAELO CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000730311987 1201444002 /nfs/dbraw/zinc/44/40/02/1201444002.db2.gz NOJONCYJPZPVLC-HNNXBMFYSA-N 1 2 397.522 0.857 10 0 GCAELO CC(=O)N1CSC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165399 1201524851 /nfs/dbraw/zinc/52/48/51/1201524851.db2.gz LNFGZLQLFRAGCD-QZTJIDSGSA-N 1 2 377.510 0.968 10 0 GCAELO COC1(OC)CC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H]1O ZINC000824277610 1201640343 /nfs/dbraw/zinc/64/03/43/1201640343.db2.gz KMVNMKCRECXSMS-INIZCTEOSA-N 1 2 377.441 0.808 10 0 GCAELO COC1(OC)CC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H]1O ZINC000824277610 1201640349 /nfs/dbraw/zinc/64/03/49/1201640349.db2.gz KMVNMKCRECXSMS-INIZCTEOSA-N 1 2 377.441 0.808 10 0 GCAELO Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(C(=O)N4CCCC4)CC3)C2=O)cn1 ZINC000746374867 1201915690 /nfs/dbraw/zinc/91/56/90/1201915690.db2.gz QLFDZLBGIPDLRP-QGZVFWFLSA-N 1 2 387.484 0.630 10 0 GCAELO COc1cc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)cc(OC)c1OCC(N)=O ZINC000769523496 1202060985 /nfs/dbraw/zinc/06/09/85/1202060985.db2.gz CLBCWOJNLJWXMU-UHFFFAOYSA-N 1 2 388.486 0.823 10 0 GCAELO COc1cc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)cc(OC)c1OCC(N)=O ZINC000769523496 1202060988 /nfs/dbraw/zinc/06/09/88/1202060988.db2.gz CLBCWOJNLJWXMU-UHFFFAOYSA-N 1 2 388.486 0.823 10 0 GCAELO Cn1ncc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1C1CC1 ZINC000770755505 1202112411 /nfs/dbraw/zinc/11/24/11/1202112411.db2.gz FYPWEGULSIKYHU-GDBMZVCRSA-N 1 2 375.473 0.996 10 0 GCAELO Cn1ncc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1C1CC1 ZINC000770755508 1202112446 /nfs/dbraw/zinc/11/24/46/1202112446.db2.gz FYPWEGULSIKYHU-HOCLYGCPSA-N 1 2 375.473 0.996 10 0 GCAELO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCCn2cc[nH+]c2)C1=O ZINC000771274283 1202132717 /nfs/dbraw/zinc/13/27/17/1202132717.db2.gz JAOHMEOIXBIFFD-IBGZPJMESA-N 1 2 385.424 0.784 10 0 GCAELO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000805477001 1205537397 /nfs/dbraw/zinc/53/73/97/1205537397.db2.gz DNBUHHYEYZAAHU-CQSZACIVSA-N 1 2 388.417 0.432 10 0 GCAELO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000805477001 1205537399 /nfs/dbraw/zinc/53/73/99/1205537399.db2.gz DNBUHHYEYZAAHU-CQSZACIVSA-N 1 2 388.417 0.432 10 0 GCAELO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000806241222 1205552474 /nfs/dbraw/zinc/55/24/74/1205552474.db2.gz HZAMCQULYPQXPQ-QGZVFWFLSA-N 1 2 395.467 0.726 10 0 GCAELO O=C(CCNC(=O)[C@@H]1CCCC12OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000806717351 1205565329 /nfs/dbraw/zinc/56/53/29/1205565329.db2.gz GVGSUAHYUNWAEF-INIZCTEOSA-N 1 2 388.468 0.780 10 0 GCAELO C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)C[C@H]1CCS(=O)(=O)C1 ZINC000607157918 530121628 /nfs/dbraw/zinc/12/16/28/530121628.db2.gz CDKLLVZDFKDFOT-CYBMUJFWSA-N 1 2 376.500 0.931 10 0 GCAELO C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)C[C@H]1CCS(=O)(=O)C1 ZINC000607157918 530121633 /nfs/dbraw/zinc/12/16/33/530121633.db2.gz CDKLLVZDFKDFOT-CYBMUJFWSA-N 1 2 376.500 0.931 10 0 GCAELO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@@H]2CCCO2)C1 ZINC000536342466 530181249 /nfs/dbraw/zinc/18/12/49/530181249.db2.gz TZMJLTJWKMAJEC-LUKYLMHMSA-N 1 2 377.503 0.211 10 0 GCAELO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@@H]2CCCO2)C1 ZINC000536342466 530181252 /nfs/dbraw/zinc/18/12/52/530181252.db2.gz TZMJLTJWKMAJEC-LUKYLMHMSA-N 1 2 377.503 0.211 10 0 GCAELO COCCN1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)CC1=O ZINC000091832832 530235220 /nfs/dbraw/zinc/23/52/20/530235220.db2.gz NACDJWKZGPICLO-AWEZNQCLSA-N 1 2 387.274 0.979 10 0 GCAELO COCCN1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)CC1=O ZINC000091832832 530235222 /nfs/dbraw/zinc/23/52/22/530235222.db2.gz NACDJWKZGPICLO-AWEZNQCLSA-N 1 2 387.274 0.979 10 0 GCAELO Cn1cc(Br)cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1=O ZINC000124343681 530276054 /nfs/dbraw/zinc/27/60/54/530276054.db2.gz BPYCEHZSRCVCMX-UHFFFAOYSA-N 1 2 383.246 0.393 10 0 GCAELO COc1ccc(Br)cc1CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132485373 530290835 /nfs/dbraw/zinc/29/08/35/530290835.db2.gz QPTBJLJZEDQEHM-CQSZACIVSA-N 1 2 387.274 0.810 10 0 GCAELO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890869 530265979 /nfs/dbraw/zinc/26/59/79/530265979.db2.gz DNZRCDLVIVDZAR-NEPJUHHUSA-N 1 2 375.441 0.636 10 0 GCAELO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890869 530265981 /nfs/dbraw/zinc/26/59/81/530265981.db2.gz DNZRCDLVIVDZAR-NEPJUHHUSA-N 1 2 375.441 0.636 10 0 GCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000119855834 530268674 /nfs/dbraw/zinc/26/86/74/530268674.db2.gz SOBVHZDWGRJISC-LBPRGKRZSA-N 1 2 384.234 0.742 10 0 GCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000119855834 530268675 /nfs/dbraw/zinc/26/86/75/530268675.db2.gz SOBVHZDWGRJISC-LBPRGKRZSA-N 1 2 384.234 0.742 10 0 GCAELO Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)cn1 ZINC000153882863 530317287 /nfs/dbraw/zinc/31/72/87/530317287.db2.gz JZLHXWWKCJTZFJ-UHFFFAOYSA-N 1 2 384.893 0.947 10 0 GCAELO Cn1cc(C[N@H+]2CCCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)cn1 ZINC000153882863 530317289 /nfs/dbraw/zinc/31/72/89/530317289.db2.gz JZLHXWWKCJTZFJ-UHFFFAOYSA-N 1 2 384.893 0.947 10 0 GCAELO Cn1cnc(S(=O)(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1Cl ZINC000158892057 530327574 /nfs/dbraw/zinc/32/75/74/530327574.db2.gz CSJHUADFUXCYAG-AWEZNQCLSA-N 1 2 384.889 0.771 10 0 GCAELO Cn1cnc(S(=O)(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1Cl ZINC000158892057 530327576 /nfs/dbraw/zinc/32/75/76/530327576.db2.gz CSJHUADFUXCYAG-AWEZNQCLSA-N 1 2 384.889 0.771 10 0 GCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179488205 530366539 /nfs/dbraw/zinc/36/65/39/530366539.db2.gz XKHNORSGVMAZCC-LLVKDONJSA-N 1 2 391.287 0.913 10 0 GCAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179488205 530366540 /nfs/dbraw/zinc/36/65/40/530366540.db2.gz XKHNORSGVMAZCC-LLVKDONJSA-N 1 2 391.287 0.913 10 0 GCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1C ZINC000179724466 530367250 /nfs/dbraw/zinc/36/72/50/530367250.db2.gz IZJPPJFTKYIJRJ-LLVKDONJSA-N 1 2 385.262 0.962 10 0 GCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1C ZINC000179724466 530367252 /nfs/dbraw/zinc/36/72/52/530367252.db2.gz IZJPPJFTKYIJRJ-LLVKDONJSA-N 1 2 385.262 0.962 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C[C@@H]21 ZINC000284122386 530383649 /nfs/dbraw/zinc/38/36/49/530383649.db2.gz OTFIMADZQRTVRP-QWRGUYRKSA-N 1 2 381.234 0.432 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C[C@@H]21 ZINC000284122386 530383651 /nfs/dbraw/zinc/38/36/51/530383651.db2.gz OTFIMADZQRTVRP-QWRGUYRKSA-N 1 2 381.234 0.432 10 0 GCAELO CC(C)[N@H+](CCOCCO)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000582110063 530383982 /nfs/dbraw/zinc/38/39/82/530383982.db2.gz XXRJFCZLDSMSRX-UHFFFAOYSA-N 1 2 376.450 0.887 10 0 GCAELO CC(C)[N@@H+](CCOCCO)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000582110063 530383983 /nfs/dbraw/zinc/38/39/83/530383983.db2.gz XXRJFCZLDSMSRX-UHFFFAOYSA-N 1 2 376.450 0.887 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@@H]21 ZINC000284200108 530384253 /nfs/dbraw/zinc/38/42/53/530384253.db2.gz TWYHKGGUBSQVNQ-WDEREUQCSA-N 1 2 386.246 0.703 10 0 GCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@@H]21 ZINC000284200108 530384256 /nfs/dbraw/zinc/38/42/56/530384256.db2.gz TWYHKGGUBSQVNQ-WDEREUQCSA-N 1 2 386.246 0.703 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1[NH+]1CCOCC1 ZINC000193718302 530394070 /nfs/dbraw/zinc/39/40/70/530394070.db2.gz XVWJZKNIYBFFHP-WCQYABFASA-N 1 2 397.273 0.962 10 0 GCAELO Cc1nc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)ccc1Br ZINC000192919897 530391798 /nfs/dbraw/zinc/39/17/98/530391798.db2.gz VMOJZEXLKZPFNJ-JTQLQIEISA-N 1 2 385.262 0.928 10 0 GCAELO CC(=O)Nc1ncc(S(=O)(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)s1 ZINC000287461145 530408623 /nfs/dbraw/zinc/40/86/23/530408623.db2.gz ROTWQUGGGRHDRZ-ZDUSSCGKSA-N 1 2 388.515 0.833 10 0 GCAELO CC(=O)Nc1ncc(S(=O)(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000287461145 530408624 /nfs/dbraw/zinc/40/86/24/530408624.db2.gz ROTWQUGGGRHDRZ-ZDUSSCGKSA-N 1 2 388.515 0.833 10 0 GCAELO CNS(=O)(=O)CCC[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000111197679 530495520 /nfs/dbraw/zinc/49/55/20/530495520.db2.gz OLRQXBIXPVADKP-UHFFFAOYSA-N 1 2 385.515 0.855 10 0 GCAELO O=S(=O)(NCc1cn2cc(Cl)ccc2[nH+]1)C1CCS(=O)(=O)CC1 ZINC000328690670 530517505 /nfs/dbraw/zinc/51/75/05/530517505.db2.gz DLINHYLAHVDUFW-UHFFFAOYSA-N 1 2 377.875 0.984 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000330178655 530628209 /nfs/dbraw/zinc/62/82/09/530628209.db2.gz DWJZRCTWMVOIRC-HLLBOEOZSA-N 1 2 375.535 0.494 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000330178655 530628213 /nfs/dbraw/zinc/62/82/13/530628213.db2.gz DWJZRCTWMVOIRC-HLLBOEOZSA-N 1 2 375.535 0.494 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000330191474 530628960 /nfs/dbraw/zinc/62/89/60/530628960.db2.gz NDRZETIVPURBIQ-DOTOQJQBSA-N 1 2 375.535 0.760 10 0 GCAELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)CC1 ZINC000330201233 530629064 /nfs/dbraw/zinc/62/90/64/530629064.db2.gz XLIIEADBXSOTTP-SJORKVTESA-N 1 2 375.535 0.496 10 0 GCAELO COC(=O)c1nscc1S(=O)(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000577524388 530621857 /nfs/dbraw/zinc/62/18/57/530621857.db2.gz KMCQFFOOMUEVTC-UHFFFAOYSA-N 1 2 383.455 0.539 10 0 GCAELO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000367231010 530695483 /nfs/dbraw/zinc/69/54/83/530695483.db2.gz LVQPWJRFLROWBD-CVEARBPZSA-N 1 2 376.519 0.196 10 0 GCAELO CC(=O)N1CC[NH+](CCNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000477265996 530741938 /nfs/dbraw/zinc/74/19/38/530741938.db2.gz UDIAMZXGVOYIHU-UHFFFAOYSA-N 1 2 384.274 0.978 10 0 GCAELO Cn1cnc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1Cl ZINC000121316517 530775443 /nfs/dbraw/zinc/77/54/43/530775443.db2.gz MYRQBRLRFQUTLT-KBPBESRZSA-N 1 2 384.889 0.987 10 0 GCAELO Cn1cnc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1Cl ZINC000121316517 530775445 /nfs/dbraw/zinc/77/54/45/530775445.db2.gz MYRQBRLRFQUTLT-KBPBESRZSA-N 1 2 384.889 0.987 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000067717912 530830491 /nfs/dbraw/zinc/83/04/91/530830491.db2.gz DXXXETHYTDBUNN-NNXHMXCWSA-N 1 2 375.535 0.914 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000067717912 530830493 /nfs/dbraw/zinc/83/04/93/530830493.db2.gz DXXXETHYTDBUNN-NNXHMXCWSA-N 1 2 375.535 0.914 10 0 GCAELO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000492001193 530834877 /nfs/dbraw/zinc/83/48/77/530834877.db2.gz QNQXOFLSMGYPGH-UHFFFAOYSA-N 1 2 376.523 0.068 10 0 GCAELO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000492001193 530834884 /nfs/dbraw/zinc/83/48/84/530834884.db2.gz QNQXOFLSMGYPGH-UHFFFAOYSA-N 1 2 376.523 0.068 10 0 GCAELO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000376328007 530813036 /nfs/dbraw/zinc/81/30/36/530813036.db2.gz OMDOSDDLYLLFKU-AWEZNQCLSA-N 1 2 376.523 0.163 10 0 GCAELO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000376328007 530813039 /nfs/dbraw/zinc/81/30/39/530813039.db2.gz OMDOSDDLYLLFKU-AWEZNQCLSA-N 1 2 376.523 0.163 10 0 GCAELO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178963081 530851847 /nfs/dbraw/zinc/85/18/47/530851847.db2.gz LAGKIGPSDPTGJQ-ZDUSSCGKSA-N 1 2 381.274 0.812 10 0 GCAELO CN(CC(=O)NC[C@H]1C[NH+]2CCN1CC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000178642646 530851958 /nfs/dbraw/zinc/85/19/58/530851958.db2.gz FYJOXFIGXSYCEC-AWEZNQCLSA-N 1 2 386.905 0.077 10 0 GCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc(F)cc1Br ZINC000178962199 530852058 /nfs/dbraw/zinc/85/20/58/530852058.db2.gz SBFQPGIAKRKSHV-NSHDSACASA-N 1 2 385.237 0.643 10 0 GCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc(F)ccc1Br ZINC000178960426 530852302 /nfs/dbraw/zinc/85/23/02/530852302.db2.gz IZCLKRRCTWAFQS-LLVKDONJSA-N 1 2 385.237 0.643 10 0 GCAELO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000179438484 530852753 /nfs/dbraw/zinc/85/27/53/530852753.db2.gz KTHJXVIRKXAOMT-LBPRGKRZSA-N 1 2 381.274 0.812 10 0 GCAELO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000188140275 530864377 /nfs/dbraw/zinc/86/43/77/530864377.db2.gz LPHLMSQKKCSRQY-AWEZNQCLSA-N 1 2 381.274 0.812 10 0 GCAELO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000187925328 530864454 /nfs/dbraw/zinc/86/44/54/530864454.db2.gz FGHLODHLNSHJPX-LLVKDONJSA-N 1 2 399.264 0.951 10 0 GCAELO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000188140250 530864847 /nfs/dbraw/zinc/86/48/47/530864847.db2.gz LPHLMSQKKCSRQY-CQSZACIVSA-N 1 2 381.274 0.812 10 0 GCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cccc(I)c1 ZINC000154108405 530905757 /nfs/dbraw/zinc/90/57/57/530905757.db2.gz FKQNJZRQRVGXBD-ZDUSSCGKSA-N 1 2 390.221 0.714 10 0 GCAELO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000195464010 530950734 /nfs/dbraw/zinc/95/07/34/530950734.db2.gz LLUCERQILAEITN-AWEZNQCLSA-N 1 2 381.420 0.952 10 0 GCAELO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000195464010 530950737 /nfs/dbraw/zinc/95/07/37/530950737.db2.gz LLUCERQILAEITN-AWEZNQCLSA-N 1 2 381.420 0.952 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)NCCS(N)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247134152 530979611 /nfs/dbraw/zinc/97/96/11/530979611.db2.gz XAQGLNKMTLKHAT-CHWSQXEVSA-N 1 2 378.857 0.812 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)NCCS(N)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247134152 530979613 /nfs/dbraw/zinc/97/96/13/530979613.db2.gz XAQGLNKMTLKHAT-CHWSQXEVSA-N 1 2 378.857 0.812 10 0 GCAELO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262693032 530998630 /nfs/dbraw/zinc/99/86/30/530998630.db2.gz ASCYPUVHKXSPDF-LLVKDONJSA-N 1 2 395.453 0.382 10 0 GCAELO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cn1 ZINC000262271803 530995821 /nfs/dbraw/zinc/99/58/21/530995821.db2.gz KNPDUIZMICYJKL-AWEZNQCLSA-N 1 2 382.467 0.215 10 0 GCAELO COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263038703 531000258 /nfs/dbraw/zinc/00/02/58/531000258.db2.gz SPSZBLYVDAYQBW-ZDUSSCGKSA-N 1 2 377.413 0.225 10 0 GCAELO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000107301049 531036028 /nfs/dbraw/zinc/03/60/28/531036028.db2.gz YCLXHWIXXGHCSK-LBPRGKRZSA-N 1 2 388.456 0.538 10 0 GCAELO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000107301049 531036030 /nfs/dbraw/zinc/03/60/30/531036030.db2.gz YCLXHWIXXGHCSK-LBPRGKRZSA-N 1 2 388.456 0.538 10 0 GCAELO COCCN(C(=O)C[NH2+][C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000544475077 531079894 /nfs/dbraw/zinc/07/98/94/531079894.db2.gz ICSLXDRNIILCIH-CHWSQXEVSA-N 1 2 375.516 0.764 10 0 GCAELO COCCN(C(=O)C[NH2+][C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000544475079 531080076 /nfs/dbraw/zinc/08/00/76/531080076.db2.gz ICSLXDRNIILCIH-OLZOCXBDSA-N 1 2 375.516 0.764 10 0 GCAELO CC(=O)N1CC[NH+](CCNC(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC000630739826 531125461 /nfs/dbraw/zinc/12/54/61/531125461.db2.gz UKWRBILYOWJPGV-UHFFFAOYSA-N 1 2 385.262 0.752 10 0 GCAELO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[C@@H]1[NH2+]N2CCC1CC2 ZINC000019168093 212150324 /nfs/dbraw/zinc/15/03/24/212150324.db2.gz RYVUSCLBWGINKK-HNNXBMFYSA-N 1 2 382.486 0.451 10 0 GCAELO CC(C)NC(=O)CN1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000076649279 209112136 /nfs/dbraw/zinc/11/21/36/209112136.db2.gz URSWUOMPHYQYFG-AWEZNQCLSA-N 1 2 378.439 0.930 10 0 GCAELO Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C[N@H+](C)Cc2ccccc2)cn1 ZINC000328633965 206237008 /nfs/dbraw/zinc/23/70/08/206237008.db2.gz SYADIJYPWWEBFP-QGZVFWFLSA-N 1 2 376.482 0.850 10 0 GCAELO Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000328633965 206237011 /nfs/dbraw/zinc/23/70/11/206237011.db2.gz SYADIJYPWWEBFP-QGZVFWFLSA-N 1 2 376.482 0.850 10 0 GCAELO CC[NH+]1CCN(C2=NCCN2S(=O)(=O)c2cc(C)ccc2NC(C)=O)CC1 ZINC000064929844 222087651 /nfs/dbraw/zinc/08/76/51/222087651.db2.gz FDJHUIAFAYSDHM-UHFFFAOYSA-N 1 2 393.513 0.951 10 0 GCAELO C[N@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CCS(C)(=O)=O ZINC000795892615 641528832 /nfs/dbraw/zinc/52/88/32/641528832.db2.gz HZBVRMMLEXWBMO-UHFFFAOYSA-N 1 2 377.507 0.432 10 0 GCAELO C[N@@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CCS(C)(=O)=O ZINC000795892615 641528842 /nfs/dbraw/zinc/52/88/42/641528842.db2.gz HZBVRMMLEXWBMO-UHFFFAOYSA-N 1 2 377.507 0.432 10 0 GCAELO C/C(=C\C(=O)NCCN(C)S(=O)(=O)c1cccs1)C[NH+]1CCOCC1 ZINC000901149033 642124962 /nfs/dbraw/zinc/12/49/62/642124962.db2.gz GLSMZNBDYHPDON-WYMLVPIESA-N 1 2 387.527 0.763 10 0 GCAELO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[NH2+]C[C@H]3C(F)F)cc2C1 ZINC000850587507 642684340 /nfs/dbraw/zinc/68/43/40/642684340.db2.gz BTTIKGUBWZGWGJ-NSHDSACASA-N 1 2 379.454 0.880 10 0 GCAELO Cc1cnccc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000683124333 1184143926 /nfs/dbraw/zinc/14/39/26/1184143926.db2.gz JXUZZCWCTADPCR-MRXNPFEDSA-N 1 2 396.495 0.967 10 0 GCAELO Cc1ncccc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000683125451 1184144026 /nfs/dbraw/zinc/14/40/26/1184144026.db2.gz YKASIFGYFRUJSY-MRXNPFEDSA-N 1 2 396.495 0.967 10 0 GCAELO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cncs2)CC3)CC1 ZINC000683139612 1184165435 /nfs/dbraw/zinc/16/54/35/1184165435.db2.gz YMDZNSYJMZVSEA-CYBMUJFWSA-N 1 2 388.497 0.720 10 0 GCAELO CC[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCN1CC(F)F ZINC000179553795 1184395955 /nfs/dbraw/zinc/39/59/55/1184395955.db2.gz BHXGKDQXEHWOGI-HNNXBMFYSA-N 1 2 376.492 0.875 10 0 GCAELO Cn1cc[nH+]c1C[C@H](NC(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000683566542 1184778912 /nfs/dbraw/zinc/77/89/12/1184778912.db2.gz AIABNYXIRPNFJB-CABCVRRESA-N 1 2 377.470 0.776 10 0 GCAELO Cn1c(=O)ccc2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc21 ZINC000581344768 1185604631 /nfs/dbraw/zinc/60/46/31/1185604631.db2.gz GTCCEDVHQNKDGN-MRXNPFEDSA-N 1 2 398.463 0.658 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@@H]21 ZINC000581443543 1185690550 /nfs/dbraw/zinc/69/05/50/1185690550.db2.gz DOFBKVLOGFWOTD-JKSUJKDBSA-N 1 2 387.440 0.675 10 0 GCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@@H]21 ZINC000581443543 1185690553 /nfs/dbraw/zinc/69/05/53/1185690553.db2.gz DOFBKVLOGFWOTD-JKSUJKDBSA-N 1 2 387.440 0.675 10 0 GCAELO O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000684354489 1185801299 /nfs/dbraw/zinc/80/12/99/1185801299.db2.gz WCBPFQHNTRBPHP-ZFWWWQNUSA-N 1 2 377.445 0.380 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCO[C@H](c3cccs3)C1)c(=O)n2C ZINC000157423342 1186361132 /nfs/dbraw/zinc/36/11/32/1186361132.db2.gz RRJNQFHJVTWNQZ-ZDUSSCGKSA-N 1 2 389.481 0.959 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCO[C@H](c3cccs3)C1)c(=O)n2C ZINC000157423342 1186361136 /nfs/dbraw/zinc/36/11/36/1186361136.db2.gz RRJNQFHJVTWNQZ-ZDUSSCGKSA-N 1 2 389.481 0.959 10 0 GCAELO O=C(NCCNS(=O)(=O)c1cccs1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000582317926 1186494662 /nfs/dbraw/zinc/49/46/62/1186494662.db2.gz PSHJUQQBMFZXGS-UHFFFAOYSA-N 1 2 393.450 0.429 10 0 GCAELO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000559856227 1186498688 /nfs/dbraw/zinc/49/86/88/1186498688.db2.gz GVDDKWAVJPNODV-SJLPKXTDSA-N 1 2 392.475 0.748 10 0 GCAELO CCS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000582387635 1186511912 /nfs/dbraw/zinc/51/19/12/1186511912.db2.gz FLACFDZUDVTFHS-UHFFFAOYSA-N 1 2 393.469 0.451 10 0 GCAELO O=C(Cn1c(=O)[nH]c2ccccc21)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000127605438 1186522490 /nfs/dbraw/zinc/52/24/90/1186522490.db2.gz DMUCYVZPRHBJGF-UHFFFAOYSA-N 1 2 381.440 0.058 10 0 GCAELO CC1(C)CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@]2(CCOC2)O1 ZINC000582583576 1186576238 /nfs/dbraw/zinc/57/62/38/1186576238.db2.gz GCUWFTDJWWLPJK-LJQANCHMSA-N 1 2 393.488 1.017 10 0 GCAELO O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685025368 1186668097 /nfs/dbraw/zinc/66/80/97/1186668097.db2.gz LNHPZGCPLQSNKB-KRWDZBQOSA-N 1 2 386.452 0.685 10 0 GCAELO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(Cn3ccnn3)CC2)C1 ZINC000156000428 1186838063 /nfs/dbraw/zinc/83/80/63/1186838063.db2.gz POWYERZVBFAXFJ-SFHVURJKSA-N 1 2 378.521 0.463 10 0 GCAELO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(Cn3ccnn3)CC2)C1 ZINC000156000428 1186838072 /nfs/dbraw/zinc/83/80/72/1186838072.db2.gz POWYERZVBFAXFJ-SFHVURJKSA-N 1 2 378.521 0.463 10 0 GCAELO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2C2CC2)[C@H](C)C1 ZINC000785215751 1187310149 /nfs/dbraw/zinc/31/01/49/1187310149.db2.gz HUIVIENPLHUZSB-GFCCVEGCSA-N 1 2 377.445 0.332 10 0 GCAELO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2C2CC2)[C@H](C)C1 ZINC000785215751 1187310151 /nfs/dbraw/zinc/31/01/51/1187310151.db2.gz HUIVIENPLHUZSB-GFCCVEGCSA-N 1 2 377.445 0.332 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)C[C@H]21 ZINC000332783658 1187772319 /nfs/dbraw/zinc/77/23/19/1187772319.db2.gz LITOZFIMSXJPJU-CVEARBPZSA-N 1 2 386.456 0.998 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)C[C@H]21 ZINC000332783658 1187772324 /nfs/dbraw/zinc/77/23/24/1187772324.db2.gz LITOZFIMSXJPJU-CVEARBPZSA-N 1 2 386.456 0.998 10 0 GCAELO C[C@H]1CCCN1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000472600267 1187859819 /nfs/dbraw/zinc/85/98/19/1187859819.db2.gz XVSSTEUOWLIPII-HNNXBMFYSA-N 1 2 396.517 0.164 10 0 GCAELO C[C@H]1CCCN1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000472600267 1187859825 /nfs/dbraw/zinc/85/98/25/1187859825.db2.gz XVSSTEUOWLIPII-HNNXBMFYSA-N 1 2 396.517 0.164 10 0 GCAELO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCc3ccnn3C)cc2)CC1 ZINC000041881041 1189467361 /nfs/dbraw/zinc/46/73/61/1189467361.db2.gz DVCUOUXDFCEPTP-UHFFFAOYSA-N 1 2 384.484 0.813 10 0 GCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511569351 1189552194 /nfs/dbraw/zinc/55/21/94/1189552194.db2.gz ABXJPSWEDYRNBC-DLBZAZTESA-N 1 2 390.484 0.686 10 0 GCAELO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000511569351 1189552198 /nfs/dbraw/zinc/55/21/98/1189552198.db2.gz ABXJPSWEDYRNBC-DLBZAZTESA-N 1 2 390.484 0.686 10 0 GCAELO C1C[C@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4C[C@H]5CC[C@@H](C4)O5)n3)C[C@@H]1O2 ZINC000500291391 1189763485 /nfs/dbraw/zinc/76/34/85/1189763485.db2.gz YHAJGEVVNXUUFE-GEEKYZPCSA-N 1 2 388.472 0.443 10 0 GCAELO C1C[C@H]2CN(c3nc(N4CCOCC4)nc(N4C[C@H]5CC[C@@H](C4)O5)[nH+]3)C[C@@H]1O2 ZINC000500291391 1189763493 /nfs/dbraw/zinc/76/34/93/1189763493.db2.gz YHAJGEVVNXUUFE-GEEKYZPCSA-N 1 2 388.472 0.443 10 0 GCAELO CON(C)C(=O)[C@H](CCSC)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000785265645 1189945929 /nfs/dbraw/zinc/94/59/29/1189945929.db2.gz SKJIJRFPABYQMT-LBPRGKRZSA-N 1 2 379.442 0.531 10 0 GCAELO COC(=O)[C@H](N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000513452447 1193953536 /nfs/dbraw/zinc/95/35/36/1193953536.db2.gz MQZKBLRUHQMNBW-MAUKXSAKSA-N 1 2 375.473 0.823 10 0 GCAELO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1C(N)=O ZINC000261852806 1194394749 /nfs/dbraw/zinc/39/47/49/1194394749.db2.gz QIRNIKSUJDVDQO-HNNXBMFYSA-N 1 2 376.438 0.524 10 0 GCAELO CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000434797886 1194869617 /nfs/dbraw/zinc/86/96/17/1194869617.db2.gz UOKYVTCPTIMNJU-HXUWFJFHSA-N 1 2 388.468 0.902 10 0 GCAELO CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000434797886 1194869619 /nfs/dbraw/zinc/86/96/19/1194869619.db2.gz UOKYVTCPTIMNJU-HXUWFJFHSA-N 1 2 388.468 0.902 10 0 GCAELO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCCCOc1ccccc1F ZINC000434798787 1194871422 /nfs/dbraw/zinc/87/14/22/1194871422.db2.gz LRCQDTCMUNIJSH-GOSISDBHSA-N 1 2 378.404 0.385 10 0 GCAELO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCCCOc1ccccc1F ZINC000434798787 1194871426 /nfs/dbraw/zinc/87/14/26/1194871426.db2.gz LRCQDTCMUNIJSH-GOSISDBHSA-N 1 2 378.404 0.385 10 0 GCAELO COC(=O)c1cncc(S(=O)(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000515280260 1194964322 /nfs/dbraw/zinc/96/43/22/1194964322.db2.gz ODESJLJIYICMSF-UHFFFAOYSA-N 1 2 377.426 0.478 10 0 GCAELO O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000516214081 1195034169 /nfs/dbraw/zinc/03/41/69/1195034169.db2.gz UCEBQLKPOZSONE-FJIDUMEYSA-N 1 2 379.501 0.774 10 0 GCAELO Cc1nc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCCCC4)CC2)cc[nH+]1 ZINC000550108847 1195436994 /nfs/dbraw/zinc/43/69/94/1195436994.db2.gz MJGMVZZAJFZWGM-UHFFFAOYSA-N 1 2 398.471 0.068 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000519860532 1195576579 /nfs/dbraw/zinc/57/65/79/1195576579.db2.gz WDZPNUHCZMKHCF-HMDCTGQHSA-N 1 2 379.501 0.485 10 0 GCAELO C[C@@H](c1cccc(NC(=O)C(=O)N2CC(n3ccnn3)C2)c1)[NH+]1CCOCC1 ZINC000441317576 1195621972 /nfs/dbraw/zinc/62/19/72/1195621972.db2.gz XVORKKHZKHSCIZ-AWEZNQCLSA-N 1 2 384.440 0.693 10 0 GCAELO Cc1cc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1C ZINC000328865571 1195672030 /nfs/dbraw/zinc/67/20/30/1195672030.db2.gz WLVOEOJZNCBTHH-OAHLLOKOSA-N 1 2 399.499 0.305 10 0 GCAELO O=C(C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000328887199 1195674127 /nfs/dbraw/zinc/67/41/27/1195674127.db2.gz OLTUVCHYMYCKFT-OKZBNKHCSA-N 1 2 379.501 0.870 10 0 GCAELO O=C(C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000328887199 1195674130 /nfs/dbraw/zinc/67/41/30/1195674130.db2.gz OLTUVCHYMYCKFT-OKZBNKHCSA-N 1 2 379.501 0.870 10 0 GCAELO CCc1nc(C(C)(C)NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)no1 ZINC000441712549 1195823281 /nfs/dbraw/zinc/82/32/81/1195823281.db2.gz FONDMBXGKUMHLY-AWEZNQCLSA-N 1 2 393.488 0.697 10 0 GCAELO CN(C)C(=O)c1cc(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cn1C ZINC000185432938 1195846631 /nfs/dbraw/zinc/84/66/31/1195846631.db2.gz LLEWXZDHTFNWHV-UHFFFAOYSA-N 1 2 399.561 0.421 10 0 GCAELO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000550549427 1196083601 /nfs/dbraw/zinc/08/36/01/1196083601.db2.gz DETMJJOISLMULG-KRWDZBQOSA-N 1 2 388.493 0.874 10 0 GCAELO CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H](C)C1 ZINC000550548997 1196084022 /nfs/dbraw/zinc/08/40/22/1196084022.db2.gz YIZVQBAYRGYPQX-OAHLLOKOSA-N 1 2 383.452 0.627 10 0 GCAELO CN(C)CC[NH+]1CCC(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000114380578 1196097595 /nfs/dbraw/zinc/09/75/95/1196097595.db2.gz WHEICMLCAMZXFE-UHFFFAOYSA-N 1 2 388.560 0.837 10 0 GCAELO C[NH+](C)CCN1CCC(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000114380578 1196097598 /nfs/dbraw/zinc/09/75/98/1196097598.db2.gz WHEICMLCAMZXFE-UHFFFAOYSA-N 1 2 388.560 0.837 10 0 GCAELO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329350922 1196187902 /nfs/dbraw/zinc/18/79/02/1196187902.db2.gz FGHONYHYBAFYLY-OAGGEKHMSA-N 1 2 385.530 0.355 10 0 GCAELO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329350922 1196187905 /nfs/dbraw/zinc/18/79/05/1196187905.db2.gz FGHONYHYBAFYLY-OAGGEKHMSA-N 1 2 385.530 0.355 10 0 GCAELO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329410368 1196193270 /nfs/dbraw/zinc/19/32/70/1196193270.db2.gz DRPVEJUCRRGWNK-MOPGFXCFSA-N 1 2 393.528 0.975 10 0 GCAELO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329410374 1196193490 /nfs/dbraw/zinc/19/34/90/1196193490.db2.gz DRPVEJUCRRGWNK-RTBURBONSA-N 1 2 393.528 0.975 10 0 GCAELO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329596498 1196207692 /nfs/dbraw/zinc/20/76/92/1196207692.db2.gz VTXINFVSAOKJGR-CVEARBPZSA-N 1 2 395.525 0.796 10 0 GCAELO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329596498 1196207693 /nfs/dbraw/zinc/20/76/93/1196207693.db2.gz VTXINFVSAOKJGR-CVEARBPZSA-N 1 2 395.525 0.796 10 0 GCAELO C[C@@]1(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCC(=O)NC1 ZINC000281100153 1196276920 /nfs/dbraw/zinc/27/69/20/1196276920.db2.gz AINJDHUMLKWASL-OXJNMPFZSA-N 1 2 375.469 0.487 10 0 GCAELO C[C@H](C1CC1)n1nccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000171499051 1196404172 /nfs/dbraw/zinc/40/41/72/1196404172.db2.gz STXVERCMTDYRMM-GDBMZVCRSA-N 1 2 375.473 0.973 10 0 GCAELO C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000447906296 1196756213 /nfs/dbraw/zinc/75/62/13/1196756213.db2.gz XBXOXNSDQBTXCP-NRFANRHFSA-N 1 2 385.464 0.823 10 0 GCAELO COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC(=O)N2C)cc1 ZINC000116194527 1196795487 /nfs/dbraw/zinc/79/54/87/1196795487.db2.gz HWZGRDASBHBQFU-XFQXTVEOSA-N 1 2 388.512 0.967 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC12COC2 ZINC000451128947 1196974277 /nfs/dbraw/zinc/97/42/77/1196974277.db2.gz CHHVEWWATLVVSX-MRXNPFEDSA-N 1 2 389.452 0.838 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC12COC2 ZINC000451128947 1196974281 /nfs/dbraw/zinc/97/42/81/1196974281.db2.gz CHHVEWWATLVVSX-MRXNPFEDSA-N 1 2 389.452 0.838 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1)C2 ZINC000530287380 1196975092 /nfs/dbraw/zinc/97/50/92/1196975092.db2.gz VPAPKBSNJUZZEG-OLZOCXBDSA-N 1 2 396.513 0.400 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1)CC2 ZINC000530287380 1196975093 /nfs/dbraw/zinc/97/50/93/1196975093.db2.gz VPAPKBSNJUZZEG-OLZOCXBDSA-N 1 2 396.513 0.400 10 0 GCAELO CC(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000531912209 1197104029 /nfs/dbraw/zinc/10/40/29/1197104029.db2.gz BELWTRCUGJMTRR-KRWDZBQOSA-N 1 2 388.512 0.688 10 0 GCAELO CS(=O)(=O)NCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000171829024 1197158834 /nfs/dbraw/zinc/15/88/34/1197158834.db2.gz MQTJRNHUPDGMLI-GFCCVEGCSA-N 1 2 390.456 0.778 10 0 GCAELO CS(=O)(=O)NCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000171829024 1197158836 /nfs/dbraw/zinc/15/88/36/1197158836.db2.gz MQTJRNHUPDGMLI-GFCCVEGCSA-N 1 2 390.456 0.778 10 0 GCAELO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(=O)[nH]c1=O ZINC000180858698 1197202398 /nfs/dbraw/zinc/20/23/98/1197202398.db2.gz RPWCCTMMMBQPCY-NSHDSACASA-N 1 2 387.444 0.127 10 0 GCAELO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(=O)[nH]c1=O ZINC000180858698 1197202400 /nfs/dbraw/zinc/20/24/00/1197202400.db2.gz RPWCCTMMMBQPCY-NSHDSACASA-N 1 2 387.444 0.127 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000187520794 1197231178 /nfs/dbraw/zinc/23/11/78/1197231178.db2.gz DUQSRBWHELTRFB-LBPRGKRZSA-N 1 2 390.456 0.778 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000187520794 1197231181 /nfs/dbraw/zinc/23/11/81/1197231181.db2.gz DUQSRBWHELTRFB-LBPRGKRZSA-N 1 2 390.456 0.778 10 0 GCAELO COCCN1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1=O ZINC000190764187 1197242332 /nfs/dbraw/zinc/24/23/32/1197242332.db2.gz RQXHMXBBGHJIHY-SFHVURJKSA-N 1 2 388.512 0.904 10 0 GCAELO COCCN1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1=O ZINC000190764187 1197242334 /nfs/dbraw/zinc/24/23/34/1197242334.db2.gz RQXHMXBBGHJIHY-SFHVURJKSA-N 1 2 388.512 0.904 10 0 GCAELO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649305 1197254823 /nfs/dbraw/zinc/25/48/23/1197254823.db2.gz WYKRHIKERUUTJB-MRXNPFEDSA-N 1 2 382.472 0.126 10 0 GCAELO CN(C)C(=O)Cn1cnc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000475840827 1197282349 /nfs/dbraw/zinc/28/23/49/1197282349.db2.gz NKRJHLXWBSSMPU-UHFFFAOYSA-N 1 2 382.428 0.933 10 0 GCAELO CC(=O)N1CCO[C@H](C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000909673463 1197284038 /nfs/dbraw/zinc/28/40/38/1197284038.db2.gz XXFDZAZWNLVESR-INIZCTEOSA-N 1 2 395.481 0.183 10 0 GCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000124197364 1197352432 /nfs/dbraw/zinc/35/24/32/1197352432.db2.gz NADBBXSEZPMFGL-INIZCTEOSA-N 1 2 386.496 0.960 10 0 GCAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000124197364 1197352435 /nfs/dbraw/zinc/35/24/35/1197352435.db2.gz NADBBXSEZPMFGL-INIZCTEOSA-N 1 2 386.496 0.960 10 0 GCAELO CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245615931 1197415307 /nfs/dbraw/zinc/41/53/07/1197415307.db2.gz VDVJSCBJZQEOOV-MAUKXSAKSA-N 1 2 398.866 0.983 10 0 GCAELO CC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245615931 1197415308 /nfs/dbraw/zinc/41/53/08/1197415308.db2.gz VDVJSCBJZQEOOV-MAUKXSAKSA-N 1 2 398.866 0.983 10 0 GCAELO Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000533151713 1197435663 /nfs/dbraw/zinc/43/56/63/1197435663.db2.gz HQQFKAQYBMPTEN-AWEZNQCLSA-N 1 2 399.499 0.697 10 0 GCAELO CC(=O)N1CCO[C@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000909677013 1197456961 /nfs/dbraw/zinc/45/69/61/1197456961.db2.gz YCFDXNUBVGAMSM-INIZCTEOSA-N 1 2 395.481 0.183 10 0 GCAELO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261671757 1197510798 /nfs/dbraw/zinc/51/07/98/1197510798.db2.gz JCJIVJSCJRKOSB-INIZCTEOSA-N 1 2 393.490 0.747 10 0 GCAELO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000533791641 1197566112 /nfs/dbraw/zinc/56/61/12/1197566112.db2.gz IORSKHAYSGJBRF-LBPRGKRZSA-N 1 2 391.453 0.283 10 0 GCAELO NC(=O)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000672706050 1199320374 /nfs/dbraw/zinc/32/03/74/1199320374.db2.gz AHBGNBNYPNBEFZ-OAHLLOKOSA-N 1 2 387.484 0.996 10 0 GCAELO CS(=O)(=O)NCC1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000672781524 1199335796 /nfs/dbraw/zinc/33/57/96/1199335796.db2.gz LGTPPIBUWMXQTB-UHFFFAOYSA-N 1 2 380.514 0.973 10 0 GCAELO NC(=O)C[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000672799846 1199337407 /nfs/dbraw/zinc/33/74/07/1199337407.db2.gz OIKMKJZGRVLNLT-HNNXBMFYSA-N 1 2 388.472 0.027 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000673484184 1199700581 /nfs/dbraw/zinc/70/05/81/1199700581.db2.gz OGALPYQDJCNPQG-VIPLHTEESA-N 1 2 395.500 0.010 10 0 GCAELO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)Nc3ccc4[nH+]ccn4c3)CC2=O)c1 ZINC000673668350 1199925638 /nfs/dbraw/zinc/92/56/38/1199925638.db2.gz LCGKZUBFKAJVIX-GFCCVEGCSA-N 1 2 399.432 0.973 10 0 GCAELO O=C(Nc1ccc(N2CCCC2)nc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781780 1199939899 /nfs/dbraw/zinc/93/98/99/1199939899.db2.gz IAXJVAUVQMYYNR-QGZVFWFLSA-N 1 2 387.484 0.944 10 0 GCAELO NC(=O)[C@H]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000675803882 1200460253 /nfs/dbraw/zinc/46/02/53/1200460253.db2.gz MEUOENHSEBOPBW-HOTGVXAUSA-N 1 2 387.484 0.671 10 0 GCAELO CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000544162529 1200662413 /nfs/dbraw/zinc/66/24/13/1200662413.db2.gz SQEYUSGBWLCCBL-MRXNPFEDSA-N 1 2 375.473 0.969 10 0 GCAELO CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)CC1 ZINC000611431252 1201238057 /nfs/dbraw/zinc/23/80/57/1201238057.db2.gz FCLBHLHIUBTPFU-CQSZACIVSA-N 1 2 392.504 0.421 10 0 GCAELO C[C@@H]1C[N@H+](CCNC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)CCO1 ZINC000727034673 1201331216 /nfs/dbraw/zinc/33/12/16/1201331216.db2.gz SCSLYTNHIVCYPZ-GFCCVEGCSA-N 1 2 380.411 0.950 10 0 GCAELO C[C@@H]1C[N@@H+](CCNC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)CCO1 ZINC000727034673 1201331221 /nfs/dbraw/zinc/33/12/21/1201331221.db2.gz SCSLYTNHIVCYPZ-GFCCVEGCSA-N 1 2 380.411 0.950 10 0 GCAELO COC[C@]1(C)NC(=O)N(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)C1=O ZINC000733296424 1201584990 /nfs/dbraw/zinc/58/49/90/1201584990.db2.gz FNYHWVQQWBQDGL-SFHVURJKSA-N 1 2 378.429 0.697 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000735197651 1201682498 /nfs/dbraw/zinc/68/24/98/1201682498.db2.gz GMVKANNKAVMMHF-PTFIGZPYSA-N 1 2 381.498 0.903 10 0 GCAELO O=C([C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827610840 1201704556 /nfs/dbraw/zinc/70/45/56/1201704556.db2.gz ACGUNPZZFKRUGJ-YQQAZPJKSA-N 1 2 388.386 0.731 10 0 GCAELO COC(=O)N1CCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000769491704 1202059575 /nfs/dbraw/zinc/05/95/75/1202059575.db2.gz PFZRANWNIMZQTN-UHFFFAOYSA-N 1 2 377.441 0.973 10 0 GCAELO COC(=O)N1CCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000769491704 1202059582 /nfs/dbraw/zinc/05/95/82/1202059582.db2.gz PFZRANWNIMZQTN-UHFFFAOYSA-N 1 2 377.441 0.973 10 0 GCAELO Cn1cc(O)c(=O)cc1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792216875 1205485394 /nfs/dbraw/zinc/48/53/94/1205485394.db2.gz YZVDXWOSZHOVDA-UHFFFAOYSA-N 1 2 394.472 0.650 10 0 GCAELO CC[C@H]1CN(C(=O)C(=O)NCC[S@](=O)CC)CC[N@@H+]1Cc1ccccc1 ZINC000805606710 1205540372 /nfs/dbraw/zinc/54/03/72/1205540372.db2.gz LIXVGRSXVZKXJU-MRDQGFSESA-N 1 2 379.526 0.994 10 0 GCAELO CC[C@H]1CN(C(=O)C(=O)NCC[S@](=O)CC)CC[N@H+]1Cc1ccccc1 ZINC000805606710 1205540374 /nfs/dbraw/zinc/54/03/74/1205540374.db2.gz LIXVGRSXVZKXJU-MRDQGFSESA-N 1 2 379.526 0.994 10 0 GCAELO CC[C@H]1CN(C(=O)C(=O)NCC[S@@](=O)CC)CC[N@@H+]1Cc1ccccc1 ZINC000805606711 1205540504 /nfs/dbraw/zinc/54/05/04/1205540504.db2.gz LIXVGRSXVZKXJU-QLXKLKPCSA-N 1 2 379.526 0.994 10 0 GCAELO CC[C@H]1CN(C(=O)C(=O)NCC[S@@](=O)CC)CC[N@H+]1Cc1ccccc1 ZINC000805606711 1205540505 /nfs/dbraw/zinc/54/05/05/1205540505.db2.gz LIXVGRSXVZKXJU-QLXKLKPCSA-N 1 2 379.526 0.994 10 0 GCAELO C[C@@H](O)C(=O)N1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000179544009 530132232 /nfs/dbraw/zinc/13/22/32/530132232.db2.gz YGYHDIIAWVBQOL-OCCSQVGLSA-N 1 2 387.274 0.714 10 0 GCAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@@H]1C ZINC000269765126 530189539 /nfs/dbraw/zinc/18/95/39/530189539.db2.gz CZWYUBAIRPZLLM-QWRGUYRKSA-N 1 2 378.292 0.920 10 0 GCAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@@H]1C ZINC000269765126 530189540 /nfs/dbraw/zinc/18/95/40/530189540.db2.gz CZWYUBAIRPZLLM-QWRGUYRKSA-N 1 2 378.292 0.920 10 0 GCAELO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177769390 530192004 /nfs/dbraw/zinc/19/20/04/530192004.db2.gz BKTLNPDJSZUFNF-SNVBAGLBSA-N 1 2 382.218 0.187 10 0 GCAELO CCS(=O)(=O)NCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000068807183 530195216 /nfs/dbraw/zinc/19/52/16/530195216.db2.gz PWUYMWMJCPUNMN-UHFFFAOYSA-N 1 2 377.308 0.905 10 0 GCAELO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000266382360 530200826 /nfs/dbraw/zinc/20/08/26/530200826.db2.gz TXGKURSOBDHNLL-HZSPNIEDSA-N 1 2 387.527 0.594 10 0 GCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000104797841 530250451 /nfs/dbraw/zinc/25/04/51/530250451.db2.gz DRLFLERTBNMMII-AWEZNQCLSA-N 1 2 399.289 0.809 10 0 GCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000104797841 530250453 /nfs/dbraw/zinc/25/04/53/530250453.db2.gz DRLFLERTBNMMII-AWEZNQCLSA-N 1 2 399.289 0.809 10 0 GCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(Br)cnc1Cl ZINC000132290761 530290429 /nfs/dbraw/zinc/29/04/29/530290429.db2.gz YWDDVLVZTPXWHR-SNVBAGLBSA-N 1 2 378.654 0.920 10 0 GCAELO O=C(Cc1cc(Br)ccc1F)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132564395 530290850 /nfs/dbraw/zinc/29/08/50/530290850.db2.gz VQWZSYQBIZKGJK-ZDUSSCGKSA-N 1 2 375.238 0.940 10 0 GCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cncc(I)c1 ZINC000132922717 530291462 /nfs/dbraw/zinc/29/14/62/530291462.db2.gz DNXGLRKEMWFBGY-LBPRGKRZSA-N 1 2 391.209 0.109 10 0 GCAELO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000298839753 530309341 /nfs/dbraw/zinc/30/93/41/530309341.db2.gz GZQBJBYNKPWCEB-AWEZNQCLSA-N 1 2 387.527 0.796 10 0 GCAELO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000298839753 530309343 /nfs/dbraw/zinc/30/93/43/530309343.db2.gz GZQBJBYNKPWCEB-AWEZNQCLSA-N 1 2 387.527 0.796 10 0 GCAELO O=C(COc1ccc(Br)cc1F)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154141979 530318151 /nfs/dbraw/zinc/31/81/51/530318151.db2.gz AHRRNNOYPDMBGX-GFCCVEGCSA-N 1 2 391.237 0.776 10 0 GCAELO O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@H](O)C[NH+]1CCOCC1 ZINC000156011151 530322313 /nfs/dbraw/zinc/32/23/13/530322313.db2.gz DSXVUFXXYPVSPQ-ZDUSSCGKSA-N 1 2 382.404 0.818 10 0 GCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1C ZINC000179724480 530367109 /nfs/dbraw/zinc/36/71/09/530367109.db2.gz IZJPPJFTKYIJRJ-NSHDSACASA-N 1 2 385.262 0.962 10 0 GCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1C ZINC000179724480 530367110 /nfs/dbraw/zinc/36/71/10/530367110.db2.gz IZJPPJFTKYIJRJ-NSHDSACASA-N 1 2 385.262 0.962 10 0 GCAELO NS(=O)(=O)c1cc(Br)cnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000408157027 530417834 /nfs/dbraw/zinc/41/78/34/530417834.db2.gz GGFGURCDEYMYRF-NSHDSACASA-N 1 2 391.291 0.402 10 0 GCAELO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CCn2cc[nH+]c2C1 ZINC000408167257 530426676 /nfs/dbraw/zinc/42/66/76/530426676.db2.gz XAFSZATXKSMAAR-UHFFFAOYSA-N 1 2 381.483 0.605 10 0 GCAELO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1 ZINC000408181422 530445058 /nfs/dbraw/zinc/44/50/58/530445058.db2.gz COWNSMRZLIXWDD-KBPBESRZSA-N 1 2 387.527 0.842 10 0 GCAELO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1 ZINC000408181422 530445062 /nfs/dbraw/zinc/44/50/62/530445062.db2.gz COWNSMRZLIXWDD-KBPBESRZSA-N 1 2 387.527 0.842 10 0 GCAELO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1 ZINC000408181425 530445177 /nfs/dbraw/zinc/44/51/77/530445177.db2.gz COWNSMRZLIXWDD-ZIAGYGMSSA-N 1 2 387.527 0.842 10 0 GCAELO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1 ZINC000408181425 530445179 /nfs/dbraw/zinc/44/51/79/530445179.db2.gz COWNSMRZLIXWDD-ZIAGYGMSSA-N 1 2 387.527 0.842 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CSc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328897419 530518635 /nfs/dbraw/zinc/51/86/35/530518635.db2.gz WDMDNRLWLQURET-NXEZZACHSA-N 1 2 380.396 0.259 10 0 GCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CSc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328897419 530518636 /nfs/dbraw/zinc/51/86/36/530518636.db2.gz WDMDNRLWLQURET-NXEZZACHSA-N 1 2 380.396 0.259 10 0 GCAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@H]1C ZINC000408432056 530523924 /nfs/dbraw/zinc/52/39/24/530523924.db2.gz DDOGBMXNKYSCSA-GHMZBOCLSA-N 1 2 378.292 0.920 10 0 GCAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@H]1C ZINC000408432056 530523926 /nfs/dbraw/zinc/52/39/26/530523926.db2.gz DDOGBMXNKYSCSA-GHMZBOCLSA-N 1 2 378.292 0.920 10 0 GCAELO CCS(=O)(=O)NCCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190303222 530554783 /nfs/dbraw/zinc/55/47/83/530554783.db2.gz GLWXSUNBVDHVMC-UHFFFAOYSA-N 1 2 388.921 0.937 10 0 GCAELO CCS(=O)(=O)NCCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190303222 530554784 /nfs/dbraw/zinc/55/47/84/530554784.db2.gz GLWXSUNBVDHVMC-UHFFFAOYSA-N 1 2 388.921 0.937 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@@H](C)O1 ZINC000329007419 530604620 /nfs/dbraw/zinc/60/46/20/530604620.db2.gz NKIPMWQGSLFXDM-KFWWJZLASA-N 1 2 379.548 0.138 10 0 GCAELO COCC[N@@H+]1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)C[C@@H]1C ZINC000330162398 530628337 /nfs/dbraw/zinc/62/83/37/530628337.db2.gz AHIBXQYJEWSAIA-DOTOQJQBSA-N 1 2 375.535 0.760 10 0 GCAELO COCC[N@H+]1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)C[C@@H]1C ZINC000330162398 530628341 /nfs/dbraw/zinc/62/83/41/530628341.db2.gz AHIBXQYJEWSAIA-DOTOQJQBSA-N 1 2 375.535 0.760 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000330191475 530629272 /nfs/dbraw/zinc/62/92/72/530629272.db2.gz NDRZETIVPURBIQ-NVXWUHKLSA-N 1 2 375.535 0.760 10 0 GCAELO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000470197437 530693052 /nfs/dbraw/zinc/69/30/52/530693052.db2.gz IIDMAIKTLFIMNH-AWEZNQCLSA-N 1 2 387.527 0.675 10 0 GCAELO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000470197437 530693055 /nfs/dbraw/zinc/69/30/55/530693055.db2.gz IIDMAIKTLFIMNH-AWEZNQCLSA-N 1 2 387.527 0.675 10 0 GCAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000374806312 530796757 /nfs/dbraw/zinc/79/67/57/530796757.db2.gz LQWOLAUOJRJZTP-CQSZACIVSA-N 1 2 377.507 0.638 10 0 GCAELO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000374806312 530796759 /nfs/dbraw/zinc/79/67/59/530796759.db2.gz LQWOLAUOJRJZTP-CQSZACIVSA-N 1 2 377.507 0.638 10 0 GCAELO O=C(CNC(=O)c1csc(Br)c1)NCC[NH+]1CCOCC1 ZINC000111074284 530831100 /nfs/dbraw/zinc/83/11/00/530831100.db2.gz WTFXTANJLPDOHL-UHFFFAOYSA-N 1 2 376.276 0.689 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1[NH+]1CCOCC1 ZINC000180251863 530853491 /nfs/dbraw/zinc/85/34/91/530853491.db2.gz UGQAWHPUWCYPMR-DGCLKSJQSA-N 1 2 397.273 0.962 10 0 GCAELO C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000171287268 530842833 /nfs/dbraw/zinc/84/28/33/530842833.db2.gz XDHMBPXGEKTDCN-VIFPVBQESA-N 1 2 376.276 0.687 10 0 GCAELO C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000171287268 530842837 /nfs/dbraw/zinc/84/28/37/530842837.db2.gz XDHMBPXGEKTDCN-VIFPVBQESA-N 1 2 376.276 0.687 10 0 GCAELO Cc1nc(C[N@@H+]2CCCN(C(=O)CCN3CCCS3(=O)=O)CC2)cs1 ZINC000171815836 530843573 /nfs/dbraw/zinc/84/35/73/530843573.db2.gz VPRBUUXPUQMNGM-UHFFFAOYSA-N 1 2 386.543 0.911 10 0 GCAELO Cc1nc(C[N@H+]2CCCN(C(=O)CCN3CCCS3(=O)=O)CC2)cs1 ZINC000171815836 530843575 /nfs/dbraw/zinc/84/35/75/530843575.db2.gz VPRBUUXPUQMNGM-UHFFFAOYSA-N 1 2 386.543 0.911 10 0 GCAELO NS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000171902128 530843692 /nfs/dbraw/zinc/84/36/92/530843692.db2.gz DUNMLUNUJRAAQA-LLVKDONJSA-N 1 2 376.429 0.517 10 0 GCAELO NS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000171902128 530843694 /nfs/dbraw/zinc/84/36/94/530843694.db2.gz DUNMLUNUJRAAQA-LLVKDONJSA-N 1 2 376.429 0.517 10 0 GCAELO O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164438 530933724 /nfs/dbraw/zinc/93/37/24/530933724.db2.gz ATSSBDJAZJYYPI-LLVKDONJSA-N 1 2 386.246 0.751 10 0 GCAELO O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000115164438 530933727 /nfs/dbraw/zinc/93/37/27/530933727.db2.gz ATSSBDJAZJYYPI-LLVKDONJSA-N 1 2 386.246 0.751 10 0 GCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194095395 530949597 /nfs/dbraw/zinc/94/95/97/530949597.db2.gz FDLUWYVSVIMVEU-HIFRSBDPSA-N 1 2 385.258 0.562 10 0 GCAELO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261804735 530989936 /nfs/dbraw/zinc/98/99/36/530989936.db2.gz WGHGGCYHJIRXSP-CQSZACIVSA-N 1 2 381.479 0.820 10 0 GCAELO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261771482 530990414 /nfs/dbraw/zinc/99/04/14/530990414.db2.gz SFMRDSGNCLULFJ-INIZCTEOSA-N 1 2 381.479 0.820 10 0 GCAELO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000261940758 530990811 /nfs/dbraw/zinc/99/08/11/530990811.db2.gz DPOLDJXZBRYQOM-LBPRGKRZSA-N 1 2 384.483 0.159 10 0 GCAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000263010774 530999879 /nfs/dbraw/zinc/99/98/79/530999879.db2.gz PSBDXLZDXJXYPP-ZDUSSCGKSA-N 1 2 377.388 0.656 10 0 GCAELO CC1=CC[N@H+](CCNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000545150542 531082966 /nfs/dbraw/zinc/08/29/66/531082966.db2.gz HDDUJAZKDQTLHW-AWEZNQCLSA-N 1 2 387.527 0.834 10 0 GCAELO CC1=CC[N@@H+](CCNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000545150542 531082972 /nfs/dbraw/zinc/08/29/72/531082972.db2.gz HDDUJAZKDQTLHW-AWEZNQCLSA-N 1 2 387.527 0.834 10 0 GCAELO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)s1 ZINC000676846122 531140653 /nfs/dbraw/zinc/14/06/53/531140653.db2.gz MKNSKKVRRPOSBV-GFCCVEGCSA-N 1 2 375.516 0.634 10 0 GCAELO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)s1 ZINC000676846122 531140656 /nfs/dbraw/zinc/14/06/56/531140656.db2.gz MKNSKKVRRPOSBV-GFCCVEGCSA-N 1 2 375.516 0.634 10 0 GCAELO Cn1cc[nH+]c1CN1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000680331866 531160184 /nfs/dbraw/zinc/16/01/84/531160184.db2.gz BIXNJHMKMOPPII-UHFFFAOYSA-N 1 2 379.262 0.999 10 0 GCAELO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[C@H]1[NH2+]N2CCC1CC2 ZINC000019168095 212149188 /nfs/dbraw/zinc/14/91/88/212149188.db2.gz RYVUSCLBWGINKK-OAHLLOKOSA-N 1 2 382.486 0.451 10 0 GCAELO CCOC(=O)N1CCN(S(=O)(=O)c2ccc3[nH+]c(N)nc(N)c3c2)CC1 ZINC000029462085 206303287 /nfs/dbraw/zinc/30/32/87/206303287.db2.gz WNURERGSLOPXLN-UHFFFAOYSA-N 1 2 380.430 0.257 10 0 GCAELO Cc1[nH+]c[nH]c1CN1CCN(C(=O)CCC(F)(F)F)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072476619 222265192 /nfs/dbraw/zinc/26/51/92/222265192.db2.gz QEIIMSPURRKRGD-OLZOCXBDSA-N 1 2 394.419 0.870 10 0 GCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000770261863 640801238 /nfs/dbraw/zinc/80/12/38/640801238.db2.gz FQALWCUXSJHUPW-ZIAGYGMSSA-N 1 2 376.523 0.856 10 0 GCAELO C[C@@H]1CCCN1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000770261863 640801242 /nfs/dbraw/zinc/80/12/42/640801242.db2.gz FQALWCUXSJHUPW-ZIAGYGMSSA-N 1 2 376.523 0.856 10 0 GCAELO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCSC[C@H]2CCO)CC1 ZINC000775430268 641076239 /nfs/dbraw/zinc/07/62/39/641076239.db2.gz NJGLDFPFCYARPY-CQSZACIVSA-N 1 2 379.548 0.005 10 0 GCAELO CCOC(=O)[C@]1(C)CC(=O)N(C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000795670492 641524152 /nfs/dbraw/zinc/52/41/52/641524152.db2.gz KTHMFPMBIVAXKS-MRXNPFEDSA-N 1 2 375.491 0.007 10 0 GCAELO CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000278868710 1192309290 /nfs/dbraw/zinc/30/92/90/1192309290.db2.gz FMVGLKCCWIEUEY-QGZVFWFLSA-N 1 2 388.468 0.332 10 0 GCAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279434648 1192540619 /nfs/dbraw/zinc/54/06/19/1192540619.db2.gz DSMACFXBIOCMNF-IKGGRYGDSA-N 1 2 393.511 0.671 10 0 GCAELO CC(=O)CCCC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000549704056 1192852345 /nfs/dbraw/zinc/85/23/45/1192852345.db2.gz KIGYZVBXPMQRNM-MRXNPFEDSA-N 1 2 389.500 0.709 10 0 GCAELO COc1cc(NC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc(OC)c1 ZINC000510266672 1184705583 /nfs/dbraw/zinc/70/55/83/1184705583.db2.gz JPMKDKJXRYMOOA-UHFFFAOYSA-N 1 2 385.486 0.904 10 0 GCAELO CC1=CC[N@H+](CCNC(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)CC1 ZINC000580024260 1184933187 /nfs/dbraw/zinc/93/31/87/1184933187.db2.gz PIMPDQFUFCGVKM-INIZCTEOSA-N 1 2 381.502 0.553 10 0 GCAELO CC1=CC[N@@H+](CCNC(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)CC1 ZINC000580024260 1184933193 /nfs/dbraw/zinc/93/31/93/1184933193.db2.gz PIMPDQFUFCGVKM-INIZCTEOSA-N 1 2 381.502 0.553 10 0 GCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000581028922 1185473191 /nfs/dbraw/zinc/47/31/91/1185473191.db2.gz NOUDQAPWMZAARF-NSHDSACASA-N 1 2 383.330 0.942 10 0 GCAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000581028919 1185473284 /nfs/dbraw/zinc/47/32/84/1185473284.db2.gz NOUDQAPWMZAARF-LLVKDONJSA-N 1 2 383.330 0.942 10 0 GCAELO Cn1ccnc(N2CCC[C@@H](NC(=O)NCc3cn4c([nH+]3)CCCC4)C2)c1=O ZINC000276343883 1185747894 /nfs/dbraw/zinc/74/78/94/1185747894.db2.gz HGWGZNWUVRTVEL-CQSZACIVSA-N 1 2 385.472 0.781 10 0 GCAELO O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000684354487 1185800762 /nfs/dbraw/zinc/80/07/62/1185800762.db2.gz WCBPFQHNTRBPHP-HIFRSBDPSA-N 1 2 377.445 0.380 10 0 GCAELO CNS(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1 ZINC000471757780 1185928564 /nfs/dbraw/zinc/92/85/64/1185928564.db2.gz SMPFGYZHTLCFAH-ZDUSSCGKSA-N 1 2 383.470 0.304 10 0 GCAELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](NC(N)=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000535681274 1186198960 /nfs/dbraw/zinc/19/89/60/1186198960.db2.gz RZFMEHAFCQTNCK-KBPBESRZSA-N 1 2 386.456 0.554 10 0 GCAELO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](NC(N)=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000535681274 1186198969 /nfs/dbraw/zinc/19/89/69/1186198969.db2.gz RZFMEHAFCQTNCK-KBPBESRZSA-N 1 2 386.456 0.554 10 0 GCAELO C[C@H](C(=O)NC[C@H](O)Cn1ccnn1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000458129979 1186204808 /nfs/dbraw/zinc/20/48/08/1186204808.db2.gz FKBVVVGAKYJWHA-PBHICJAKSA-N 1 2 376.436 0.105 10 0 GCAELO C[C@@H](C(=O)NC[C@@H](O)Cn1ccnn1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000458129985 1186205181 /nfs/dbraw/zinc/20/51/81/1186205181.db2.gz FKBVVVGAKYJWHA-WMLDXEAASA-N 1 2 376.436 0.105 10 0 GCAELO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000151398199 1186285912 /nfs/dbraw/zinc/28/59/12/1186285912.db2.gz PLOYVJDBOSOBDT-UKRRQHHQSA-N 1 2 380.412 0.907 10 0 GCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000151358733 1186286817 /nfs/dbraw/zinc/28/68/17/1186286817.db2.gz NWYDMIHQKJAUOI-HUUCEWRRSA-N 1 2 398.454 0.878 10 0 GCAELO CO[C@@H]1CC[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000472101054 1186351812 /nfs/dbraw/zinc/35/18/12/1186351812.db2.gz AAXCZSFVGIPECJ-HZPDHXFCSA-N 1 2 375.473 0.987 10 0 GCAELO CO[C@H]1CC[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000472101052 1186352163 /nfs/dbraw/zinc/35/21/63/1186352163.db2.gz AAXCZSFVGIPECJ-CVEARBPZSA-N 1 2 375.473 0.987 10 0 GCAELO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152396148 1186496134 /nfs/dbraw/zinc/49/61/34/1186496134.db2.gz ARMPCOLHUQTRFW-RHSMWYFYSA-N 1 2 384.839 0.593 10 0 GCAELO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152396148 1186496135 /nfs/dbraw/zinc/49/61/35/1186496135.db2.gz ARMPCOLHUQTRFW-RHSMWYFYSA-N 1 2 384.839 0.593 10 0 GCAELO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000066878835 1186589280 /nfs/dbraw/zinc/58/92/80/1186589280.db2.gz NVHFLHUKOYTODA-DLBZAZTESA-N 1 2 387.546 0.902 10 0 GCAELO COC[C@H](NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)c1ccccc1 ZINC000582682095 1186607203 /nfs/dbraw/zinc/60/72/03/1186607203.db2.gz FUKBYQQAHMDTLV-RDJZCZTQSA-N 1 2 391.468 0.586 10 0 GCAELO COC[C@H](NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)c1ccccc1 ZINC000582682095 1186607205 /nfs/dbraw/zinc/60/72/05/1186607205.db2.gz FUKBYQQAHMDTLV-RDJZCZTQSA-N 1 2 391.468 0.586 10 0 GCAELO O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685025369 1186668226 /nfs/dbraw/zinc/66/82/26/1186668226.db2.gz LNHPZGCPLQSNKB-QGZVFWFLSA-N 1 2 386.452 0.685 10 0 GCAELO O=C(CNC(=O)c1cccnc1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000125188987 1186809719 /nfs/dbraw/zinc/80/97/19/1186809719.db2.gz MSZWCCAEAYYPEX-LJQANCHMSA-N 1 2 382.464 0.871 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCO[C@@H](c3ccsc3)C1)c(=O)n2C ZINC000125788673 1186822138 /nfs/dbraw/zinc/82/21/38/1186822138.db2.gz REZXQSIMLPWFSE-CQSZACIVSA-N 1 2 389.481 0.959 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCO[C@@H](c3ccsc3)C1)c(=O)n2C ZINC000125788673 1186822143 /nfs/dbraw/zinc/82/21/43/1186822143.db2.gz REZXQSIMLPWFSE-CQSZACIVSA-N 1 2 389.481 0.959 10 0 GCAELO O=C(NCCOC[C@H]1CCCO1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000584424955 1187057955 /nfs/dbraw/zinc/05/79/55/1187057955.db2.gz APEMGJKJUXWEOB-GOSISDBHSA-N 1 2 386.452 0.859 10 0 GCAELO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000685854168 1187679861 /nfs/dbraw/zinc/67/98/61/1187679861.db2.gz XVEZZXHAZNEKBA-CQSZACIVSA-N 1 2 376.438 0.495 10 0 GCAELO C[C@H](C(=O)N1CCN2CCOC[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000363847730 1189521989 /nfs/dbraw/zinc/52/19/89/1189521989.db2.gz DTQPXAZEBYTGNF-VQIMIIECSA-N 1 2 376.476 0.879 10 0 GCAELO CC(=O)N1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C(C)(C)C1 ZINC000408102423 1189819777 /nfs/dbraw/zinc/81/97/77/1189819777.db2.gz FRADZWNENOVPJB-UHFFFAOYSA-N 1 2 392.525 0.975 10 0 GCAELO CC(=O)N1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C(C)(C)C1 ZINC000408102423 1189819785 /nfs/dbraw/zinc/81/97/85/1189819785.db2.gz FRADZWNENOVPJB-UHFFFAOYSA-N 1 2 392.525 0.975 10 0 GCAELO C[C@@H]1CCc2nc(NC(=O)C(=O)NC[C@@H](O)C[NH+]3CCOCC3)sc2C1 ZINC000434967809 1194880181 /nfs/dbraw/zinc/88/01/81/1194880181.db2.gz ISHHEMQPUOTOTH-VXGBXAGGSA-N 1 2 382.486 0.016 10 0 GCAELO C[C@](O)(Cn1ccccc1=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436299393 1194995323 /nfs/dbraw/zinc/99/53/23/1194995323.db2.gz FVKQBPWSQVVMGA-RXVVDRJESA-N 1 2 385.464 0.617 10 0 GCAELO C[C@](O)(Cn1ccccc1=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436299393 1194995326 /nfs/dbraw/zinc/99/53/26/1194995326.db2.gz FVKQBPWSQVVMGA-RXVVDRJESA-N 1 2 385.464 0.617 10 0 GCAELO O=C(NCCc1ccccc1O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000438871502 1195263475 /nfs/dbraw/zinc/26/34/75/1195263475.db2.gz GLDCCCAMZPGWAG-UHFFFAOYSA-N 1 2 387.440 0.218 10 0 GCAELO O=C(NCCOCC1CCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000519251523 1195387134 /nfs/dbraw/zinc/38/71/34/1195387134.db2.gz YUBUHJRJOXKJTN-UHFFFAOYSA-N 1 2 379.461 0.087 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000519860534 1195576456 /nfs/dbraw/zinc/57/64/56/1195576456.db2.gz WDZPNUHCZMKHCF-ZHCJQAHYSA-N 1 2 379.501 0.485 10 0 GCAELO CC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000440979912 1195593887 /nfs/dbraw/zinc/59/38/87/1195593887.db2.gz DEAGFAHMZFDSRW-CQSZACIVSA-N 1 2 397.859 0.633 10 0 GCAELO CC(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000330419379 1195687791 /nfs/dbraw/zinc/68/77/91/1195687791.db2.gz FTLWQLZEZMQTDM-MRXNPFEDSA-N 1 2 376.482 0.351 10 0 GCAELO Cn1ncc2c1ncn(CC(=O)N1CC[NH+](C/C=C/c3ccccc3)CC1)c2=O ZINC000248029334 1195712076 /nfs/dbraw/zinc/71/20/76/1195712076.db2.gz KNBJJAHEWZHPMJ-VMPITWQZSA-N 1 2 392.463 0.988 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)nn1-c1ccc(C)cc1 ZINC000190035782 1195755895 /nfs/dbraw/zinc/75/58/95/1195755895.db2.gz RYUWBSIGWBTRKF-MRXNPFEDSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)nn1-c1ccc(C)cc1 ZINC000190035782 1195755898 /nfs/dbraw/zinc/75/58/98/1195755898.db2.gz RYUWBSIGWBTRKF-MRXNPFEDSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)o1 ZINC000190050256 1195756455 /nfs/dbraw/zinc/75/64/55/1195756455.db2.gz PTDCWRLFHMYKCH-CYBMUJFWSA-N 1 2 375.429 0.296 10 0 GCAELO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)o1 ZINC000190050256 1195756460 /nfs/dbraw/zinc/75/64/60/1195756460.db2.gz PTDCWRLFHMYKCH-CYBMUJFWSA-N 1 2 375.429 0.296 10 0 GCAELO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)o1 ZINC000190050276 1195756598 /nfs/dbraw/zinc/75/65/98/1195756598.db2.gz PTDCWRLFHMYKCH-ZDUSSCGKSA-N 1 2 375.429 0.296 10 0 GCAELO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)o1 ZINC000190050276 1195756600 /nfs/dbraw/zinc/75/66/00/1195756600.db2.gz PTDCWRLFHMYKCH-ZDUSSCGKSA-N 1 2 375.429 0.296 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2-c2ccc(Cl)cc2)CC[N@@H+]1CCO ZINC000190053176 1195756779 /nfs/dbraw/zinc/75/67/79/1195756779.db2.gz SCDILUFPIFBXQL-ZDUSSCGKSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2-c2ccc(Cl)cc2)CC[N@H+]1CCO ZINC000190053176 1195756784 /nfs/dbraw/zinc/75/67/84/1195756784.db2.gz SCDILUFPIFBXQL-ZDUSSCGKSA-N 1 2 391.859 0.989 10 0 GCAELO Cc1cc(N2CCC[C@H]([NH+]3CCN(c4ncnc5n[nH]cc54)CC3)C2=O)n(C)n1 ZINC000507916403 1195872038 /nfs/dbraw/zinc/87/20/38/1195872038.db2.gz BEOZDIOZQUSLGY-HNNXBMFYSA-N 1 2 395.471 0.712 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)CCCO)CC1 ZINC000443344015 1196040415 /nfs/dbraw/zinc/04/04/15/1196040415.db2.gz HNFFYANSIDQWQM-UHFFFAOYSA-N 1 2 376.457 0.130 10 0 GCAELO NS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000443492665 1196061337 /nfs/dbraw/zinc/06/13/37/1196061337.db2.gz PEICBBRWPRLVCE-MRXNPFEDSA-N 1 2 377.470 0.894 10 0 GCAELO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000329219938 1196177488 /nfs/dbraw/zinc/17/74/88/1196177488.db2.gz AEIXYIZAPSEYIW-SJORKVTESA-N 1 2 387.546 0.761 10 0 GCAELO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000329219936 1196177711 /nfs/dbraw/zinc/17/77/11/1196177711.db2.gz AEIXYIZAPSEYIW-IAGOWNOFSA-N 1 2 387.546 0.761 10 0 GCAELO Cn1c(CC[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2ccccc21 ZINC000329559139 1196205430 /nfs/dbraw/zinc/20/54/30/1196205430.db2.gz FMTMUCOKKWGAES-UHFFFAOYSA-N 1 2 393.513 0.310 10 0 GCAELO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000329715567 1196225968 /nfs/dbraw/zinc/22/59/68/1196225968.db2.gz VDYJGHPZDHLCAT-AWEZNQCLSA-N 1 2 381.440 0.430 10 0 GCAELO CCO[C@@H]1C[C@](NCC(=O)NCC(C)(C)[NH+]2CCOCC2)(C(=O)OC)C1(C)C ZINC000444785165 1196522751 /nfs/dbraw/zinc/52/27/51/1196522751.db2.gz PWNVUEDLXVIZIX-QRWLVFNGSA-N 1 2 399.532 0.550 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCc3ccn(C)n3)c2)CC1 ZINC000445105357 1196545514 /nfs/dbraw/zinc/54/55/14/1196545514.db2.gz DHNORPRDVFVXHF-UHFFFAOYSA-N 1 2 398.467 0.339 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)Cc2cc[nH]n2)CC1 ZINC000445094839 1196547057 /nfs/dbraw/zinc/54/70/57/1196547057.db2.gz RIAVWYRSIWICBM-UHFFFAOYSA-N 1 2 398.467 0.671 10 0 GCAELO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc(-n4cnnn4)cc3)cc2C1 ZINC000447683049 1196740201 /nfs/dbraw/zinc/74/02/01/1196740201.db2.gz MPIGMKAAXLZFJX-UHFFFAOYSA-N 1 2 377.408 0.758 10 0 GCAELO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc(-n4cnnn4)cc3)cc2C1 ZINC000447683049 1196740205 /nfs/dbraw/zinc/74/02/05/1196740205.db2.gz MPIGMKAAXLZFJX-UHFFFAOYSA-N 1 2 377.408 0.758 10 0 GCAELO Cc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n1 ZINC000174161013 1197180001 /nfs/dbraw/zinc/18/00/01/1197180001.db2.gz UJRDWMTUTKIRJD-LBPRGKRZSA-N 1 2 380.518 0.484 10 0 GCAELO Cc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n1 ZINC000174161013 1197180004 /nfs/dbraw/zinc/18/00/04/1197180004.db2.gz UJRDWMTUTKIRJD-LBPRGKRZSA-N 1 2 380.518 0.484 10 0 GCAELO C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+]1CCO ZINC000187725378 1197232155 /nfs/dbraw/zinc/23/21/55/1197232155.db2.gz UOTDZTAOHLRHSW-GOSISDBHSA-N 1 2 382.549 0.136 10 0 GCAELO C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCN1CCO ZINC000187725378 1197232163 /nfs/dbraw/zinc/23/21/63/1197232163.db2.gz UOTDZTAOHLRHSW-GOSISDBHSA-N 1 2 382.549 0.136 10 0 GCAELO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1csc(C(F)(F)F)n1 ZINC000189899276 1197239253 /nfs/dbraw/zinc/23/92/53/1197239253.db2.gz IFYXLSWOSBTHIR-SNVBAGLBSA-N 1 2 392.403 0.825 10 0 GCAELO O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064024415 1197241611 /nfs/dbraw/zinc/24/16/11/1197241611.db2.gz LMLRIPFCAQQDQP-GOSISDBHSA-N 1 2 397.479 0.669 10 0 GCAELO CN(C)C(=O)Cn1cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)nn1 ZINC000188765061 1197385602 /nfs/dbraw/zinc/38/56/02/1197385602.db2.gz QZPZGFAICIBVHL-UHFFFAOYSA-N 1 2 390.875 0.808 10 0 GCAELO CN(C)C(=O)Cn1cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)nn1 ZINC000188765061 1197385603 /nfs/dbraw/zinc/38/56/03/1197385603.db2.gz QZPZGFAICIBVHL-UHFFFAOYSA-N 1 2 390.875 0.808 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247055989 1197475084 /nfs/dbraw/zinc/47/50/84/1197475084.db2.gz VIXABXVOGHUONJ-IUODEOHRSA-N 1 2 380.811 0.731 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247055989 1197475085 /nfs/dbraw/zinc/47/50/85/1197475085.db2.gz VIXABXVOGHUONJ-IUODEOHRSA-N 1 2 380.811 0.731 10 0 GCAELO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1=O ZINC000247225666 1197475824 /nfs/dbraw/zinc/47/58/24/1197475824.db2.gz ZENUMJLGCRHOTR-YOEHRIQHSA-N 1 2 394.834 0.901 10 0 GCAELO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1=O ZINC000247225666 1197475827 /nfs/dbraw/zinc/47/58/27/1197475827.db2.gz ZENUMJLGCRHOTR-YOEHRIQHSA-N 1 2 394.834 0.901 10 0 GCAELO CNC(=O)[C@@H](NC(=O)CN1CCCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000247590007 1197476813 /nfs/dbraw/zinc/47/68/13/1197476813.db2.gz NBDGNNZQFRHUET-ICSRJNTNSA-N 1 2 388.512 0.777 10 0 GCAELO CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261669545 1197510980 /nfs/dbraw/zinc/51/09/80/1197510980.db2.gz IYJZLZAUXHQDBH-CQSZACIVSA-N 1 2 394.453 0.930 10 0 GCAELO COc1cc(OC)c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c(OC)c1 ZINC000261682316 1197511475 /nfs/dbraw/zinc/51/14/75/1197511475.db2.gz LXIFQFOFFATAFA-ZDUSSCGKSA-N 1 2 396.469 0.781 10 0 GCAELO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261712423 1197512497 /nfs/dbraw/zinc/51/24/97/1197512497.db2.gz PREHVLQMZIBOFP-GFCCVEGCSA-N 1 2 382.442 0.752 10 0 GCAELO COCCn1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)cn1 ZINC000261789825 1197513383 /nfs/dbraw/zinc/51/33/83/1197513383.db2.gz UWTCDJMEZZPGFN-INIZCTEOSA-N 1 2 380.470 0.873 10 0 GCAELO Cn1c2ccc(S(=O)(=O)N3CC[NH2+]C[C@H]3c3cccnc3)cc2n(C)c1=O ZINC000261822552 1197515587 /nfs/dbraw/zinc/51/55/87/1197515587.db2.gz NOKVQJZYKXIHAY-KRWDZBQOSA-N 1 2 387.465 0.607 10 0 GCAELO O=C(CN1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1)N1CCc2ccccc21 ZINC000263042988 1197540611 /nfs/dbraw/zinc/54/06/11/1197540611.db2.gz SZTMRBAHWSZYOB-OAHLLOKOSA-N 1 2 378.423 0.717 10 0 GCAELO O=C(CNC(=O)c1ccccn1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000172547558 1198978544 /nfs/dbraw/zinc/97/85/44/1198978544.db2.gz OLRRHHYHHNTVPC-GOSISDBHSA-N 1 2 382.464 0.871 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)N2CCC(O)(C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000921720212 1199066456 /nfs/dbraw/zinc/06/64/56/1199066456.db2.gz ZOEXQJFLIWIOJZ-LSDHHAIUSA-N 1 2 382.411 0.732 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)N2CCC(O)(C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000921720212 1199066462 /nfs/dbraw/zinc/06/64/62/1199066462.db2.gz ZOEXQJFLIWIOJZ-LSDHHAIUSA-N 1 2 382.411 0.732 10 0 GCAELO CS(=O)(=O)N1CCC[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000067644418 1199136116 /nfs/dbraw/zinc/13/61/16/1199136116.db2.gz ZZHPHCPBZJRZBI-HNNXBMFYSA-N 1 2 381.502 0.774 10 0 GCAELO O=C(N[C@H]1CCN(c2ccccc2)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672530614 1199259575 /nfs/dbraw/zinc/25/95/75/1199259575.db2.gz PYPUWJLRMNDDJT-IRXDYDNUSA-N 1 2 381.436 0.968 10 0 GCAELO COC(=O)c1c(OC)ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c1OC ZINC000542986337 1199272698 /nfs/dbraw/zinc/27/26/98/1199272698.db2.gz QWZOMKXLOHFMQM-UHFFFAOYSA-N 1 2 381.410 0.933 10 0 GCAELO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000673291677 1199523201 /nfs/dbraw/zinc/52/32/01/1199523201.db2.gz XUZNPQCPLJXAIY-AWEZNQCLSA-N 1 2 376.438 0.495 10 0 GCAELO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274437829 1199971651 /nfs/dbraw/zinc/97/16/51/1199971651.db2.gz RRXSPBZJMZQGDV-KXBFYZLASA-N 1 2 377.441 0.444 10 0 GCAELO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274437829 1199971653 /nfs/dbraw/zinc/97/16/53/1199971653.db2.gz RRXSPBZJMZQGDV-KXBFYZLASA-N 1 2 377.441 0.444 10 0 GCAELO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675623714 1200446407 /nfs/dbraw/zinc/44/64/07/1200446407.db2.gz VOLMODROTMJOPU-NSHDSACASA-N 1 2 387.421 0.739 10 0 GCAELO O=C(Cn1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1)N1CCOCC1 ZINC000530945665 1200771085 /nfs/dbraw/zinc/77/10/85/1200771085.db2.gz VEOQISWOWGJJGE-UHFFFAOYSA-N 1 2 387.444 0.877 10 0 GCAELO Cc1nc(NCc2cccc(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)c2)cc[nH+]1 ZINC000569661358 1201038020 /nfs/dbraw/zinc/03/80/20/1201038020.db2.gz JFLUSAQGUXQPQQ-FQEVSTJZSA-N 1 2 394.435 1.211 10 0 GCAELO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)C1 ZINC000611431345 1201237080 /nfs/dbraw/zinc/23/70/80/1201237080.db2.gz RPSYDCIRHUHJMT-GOEBONIOSA-N 1 2 392.504 0.421 10 0 GCAELO O=C(CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1)N1CCNC(=O)C1 ZINC000022848715 1201388270 /nfs/dbraw/zinc/38/82/70/1201388270.db2.gz JGIGRVJGIQJQQQ-UHFFFAOYSA-N 1 2 380.876 0.295 10 0 GCAELO CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000730311990 1201444053 /nfs/dbraw/zinc/44/40/53/1201444053.db2.gz NOJONCYJPZPVLC-OAHLLOKOSA-N 1 2 397.522 0.857 10 0 GCAELO CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)cn1C ZINC000731780534 1201503202 /nfs/dbraw/zinc/50/32/02/1201503202.db2.gz FNTXDCIRFUIRTM-UHFFFAOYSA-N 1 2 391.497 0.937 10 0 GCAELO COC(OC)C(=O)N1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000824230145 1201639893 /nfs/dbraw/zinc/63/98/93/1201639893.db2.gz DWDPCYHHRXSUNG-UHFFFAOYSA-N 1 2 396.394 0.913 10 0 GCAELO Cc1nn(CCS(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)c(=O)o1 ZINC000825284879 1201658817 /nfs/dbraw/zinc/65/88/17/1201658817.db2.gz YIOSRUYRIFNCBZ-UHFFFAOYSA-N 1 2 380.470 0.335 10 0 GCAELO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[S@](=O)CC)cc2)CC1 ZINC000735197646 1201682722 /nfs/dbraw/zinc/68/27/22/1201682722.db2.gz GMIWFKGXZQUMHO-HHHXNRCGSA-N 1 2 394.541 0.647 10 0 GCAELO O=C(N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000827771415 1201708018 /nfs/dbraw/zinc/70/80/18/1201708018.db2.gz WVULUIVZNFWGHA-RISCZKNCSA-N 1 2 380.811 0.919 10 0 GCAELO CN(C)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(Cl)n1 ZINC000736150670 1201710346 /nfs/dbraw/zinc/71/03/46/1201710346.db2.gz AABOKJDXQHGAFE-CQSZACIVSA-N 1 2 395.891 0.464 10 0 GCAELO CC[S@@](=O)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000741082869 1201757334 /nfs/dbraw/zinc/75/73/34/1201757334.db2.gz PMXNRPUSLZMYFR-AREMUKBSSA-N 1 2 381.502 0.188 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000805620024 1205541488 /nfs/dbraw/zinc/54/14/88/1205541488.db2.gz MGUCLEAIDNBTAA-AREMUKBSSA-N 1 2 379.526 0.994 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000805620024 1205541490 /nfs/dbraw/zinc/54/14/90/1205541490.db2.gz MGUCLEAIDNBTAA-AREMUKBSSA-N 1 2 379.526 0.994 10 0 GCAELO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000806241221 1205552528 /nfs/dbraw/zinc/55/25/28/1205552528.db2.gz HZAMCQULYPQXPQ-KRWDZBQOSA-N 1 2 395.467 0.726 10 0 GCAELO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCCc2c[nH+]cn2C)C1=O ZINC000773854689 1205823608 /nfs/dbraw/zinc/82/36/08/1205823608.db2.gz WDXZKYNMJUSHFN-FQEVSTJZSA-N 1 2 399.451 0.863 10 0 GCAELO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000266382363 530200716 /nfs/dbraw/zinc/20/07/16/530200716.db2.gz TXGKURSOBDHNLL-IHRRRGAJSA-N 1 2 387.527 0.594 10 0 GCAELO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000116892272 530265819 /nfs/dbraw/zinc/26/58/19/530265819.db2.gz LKUJHLQTBCULJD-GFCCVEGCSA-N 1 2 382.511 0.579 10 0 GCAELO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000116892272 530265821 /nfs/dbraw/zinc/26/58/21/530265821.db2.gz LKUJHLQTBCULJD-GFCCVEGCSA-N 1 2 382.511 0.579 10 0 GCAELO O=C(CN1CC[NH+]([C@@H]2CCNC2=O)CC1)Nc1ccc(Br)cc1 ZINC000178211603 530363507 /nfs/dbraw/zinc/36/35/07/530363507.db2.gz QBHUTHRYZHFHSM-CQSZACIVSA-N 1 2 381.274 0.894 10 0 GCAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179488219 530366643 /nfs/dbraw/zinc/36/66/43/530366643.db2.gz XKHNORSGVMAZCC-NSHDSACASA-N 1 2 391.287 0.913 10 0 GCAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179488219 530366646 /nfs/dbraw/zinc/36/66/46/530366646.db2.gz XKHNORSGVMAZCC-NSHDSACASA-N 1 2 391.287 0.913 10 0 GCAELO Cn1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc(Br)c1=O ZINC000179595258 530367192 /nfs/dbraw/zinc/36/71/92/530367192.db2.gz YULFSSHVAQKOHO-UHFFFAOYSA-N 1 2 383.246 0.393 10 0 GCAELO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2ncn(C)c2Cl)nc[nH+]1 ZINC000173899451 530353015 /nfs/dbraw/zinc/35/30/15/530353015.db2.gz IULDAYBSICCOQS-JTQLQIEISA-N 1 2 385.881 0.853 10 0 GCAELO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2ncn(C)c2Cl)[nH+]cn1 ZINC000173899451 530353016 /nfs/dbraw/zinc/35/30/16/530353016.db2.gz IULDAYBSICCOQS-JTQLQIEISA-N 1 2 385.881 0.853 10 0 GCAELO O=C(C[N@H+]1CCC(CO)(CO)C1)Nc1cccc(I)c1 ZINC000595798581 530449645 /nfs/dbraw/zinc/44/96/45/530449645.db2.gz FUBGYUITEHEJDO-UHFFFAOYSA-N 1 2 390.221 0.906 10 0 GCAELO O=C(C[N@@H+]1CCC(CO)(CO)C1)Nc1cccc(I)c1 ZINC000595798581 530449646 /nfs/dbraw/zinc/44/96/46/530449646.db2.gz FUBGYUITEHEJDO-UHFFFAOYSA-N 1 2 390.221 0.906 10 0 GCAELO CN(C)C(=O)C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000613263947 530456273 /nfs/dbraw/zinc/45/62/73/530456273.db2.gz GIEIFGXNARDJIB-UHFFFAOYSA-N 1 2 375.214 0.291 10 0 GCAELO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000111634156 530498090 /nfs/dbraw/zinc/49/80/90/530498090.db2.gz ZTNFTYFNWKIOBN-NWDGAFQWSA-N 1 2 375.441 0.983 10 0 GCAELO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000111634156 530498092 /nfs/dbraw/zinc/49/80/92/530498092.db2.gz ZTNFTYFNWKIOBN-NWDGAFQWSA-N 1 2 375.441 0.983 10 0 GCAELO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000408242238 530492446 /nfs/dbraw/zinc/49/24/46/530492446.db2.gz RONMJUXGGJESEB-LLVKDONJSA-N 1 2 386.440 0.306 10 0 GCAELO C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC[N@@H+]1CCO ZINC000408366935 530509427 /nfs/dbraw/zinc/50/94/27/530509427.db2.gz PTTVFTZAEOYPOK-NSHDSACASA-N 1 2 376.862 0.798 10 0 GCAELO C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC[N@H+]1CCO ZINC000408366935 530509429 /nfs/dbraw/zinc/50/94/29/530509429.db2.gz PTTVFTZAEOYPOK-NSHDSACASA-N 1 2 376.862 0.798 10 0 GCAELO O=S(=O)(c1c(F)cccc1F)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000408403207 530517852 /nfs/dbraw/zinc/51/78/52/530517852.db2.gz UAWBDXMBBBVYMY-UHFFFAOYSA-N 1 2 376.425 0.813 10 0 GCAELO COCC(=O)N1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000047997300 530522062 /nfs/dbraw/zinc/52/20/62/530522062.db2.gz SNJLNTSMNNWIOY-CQSZACIVSA-N 1 2 387.274 0.979 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC[N@@H+]1CCO ZINC000190051795 530553715 /nfs/dbraw/zinc/55/37/15/530553715.db2.gz CJQZORBVQXUTAL-GFCCVEGCSA-N 1 2 396.285 0.863 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC[N@H+]1CCO ZINC000190051795 530553718 /nfs/dbraw/zinc/55/37/18/530553718.db2.gz CJQZORBVQXUTAL-GFCCVEGCSA-N 1 2 396.285 0.863 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC[N@@H+]1CCO ZINC000190051813 530554096 /nfs/dbraw/zinc/55/40/96/530554096.db2.gz CJQZORBVQXUTAL-LBPRGKRZSA-N 1 2 396.285 0.863 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC[N@H+]1CCO ZINC000190051813 530554097 /nfs/dbraw/zinc/55/40/97/530554097.db2.gz CJQZORBVQXUTAL-LBPRGKRZSA-N 1 2 396.285 0.863 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330180043 530628735 /nfs/dbraw/zinc/62/87/35/530628735.db2.gz FRRUSRVAEFWKLF-YQQAZPJKSA-N 1 2 375.535 0.494 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330180043 530628736 /nfs/dbraw/zinc/62/87/36/530628736.db2.gz FRRUSRVAEFWKLF-YQQAZPJKSA-N 1 2 375.535 0.494 10 0 GCAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)CC1 ZINC000330177613 530628799 /nfs/dbraw/zinc/62/87/99/530628799.db2.gz DBQSNQYKWPHUNO-DLBZAZTESA-N 1 2 375.535 0.496 10 0 GCAELO Cn1ncc2c1nc(NCCNS(=O)(=O)c1cccc(Cl)c1)[nH+]c2N ZINC000302826070 530682788 /nfs/dbraw/zinc/68/27/88/530682788.db2.gz HDBDCRYUNDRHSC-UHFFFAOYSA-N 1 2 381.849 0.989 10 0 GCAELO NS(=O)(=O)c1cnc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)s1 ZINC000301653301 530679839 /nfs/dbraw/zinc/67/98/39/530679839.db2.gz RDIRYMUHPUPEAZ-ZIAGYGMSSA-N 1 2 380.495 0.880 10 0 GCAELO NS(=O)(=O)c1cnc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)s1 ZINC000301653301 530679842 /nfs/dbraw/zinc/67/98/42/530679842.db2.gz RDIRYMUHPUPEAZ-ZIAGYGMSSA-N 1 2 380.495 0.880 10 0 GCAELO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H]1C ZINC000472680840 530707187 /nfs/dbraw/zinc/70/71/87/530707187.db2.gz BLERUWDUGNHMQE-LSDHHAIUSA-N 1 2 381.564 0.546 10 0 GCAELO O=C(c1nc2ncc(Br)cn2n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172753141 530847154 /nfs/dbraw/zinc/84/71/54/530847154.db2.gz XSDBEROSQAMQGU-LLVKDONJSA-N 1 2 381.234 0.434 10 0 GCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000178962742 530852080 /nfs/dbraw/zinc/85/20/80/530852080.db2.gz JWESZLNCJKNBQK-NSHDSACASA-N 1 2 377.495 0.926 10 0 GCAELO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178958531 530852327 /nfs/dbraw/zinc/85/23/27/530852327.db2.gz FNIYPRCISPHHGV-ZDUSSCGKSA-N 1 2 381.274 0.812 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000185098024 530855480 /nfs/dbraw/zinc/85/54/80/530855480.db2.gz ZCXITNCLGOTWFF-YPMHNXCESA-N 1 2 382.408 0.787 10 0 GCAELO C[C@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000493936679 530840965 /nfs/dbraw/zinc/84/09/65/530840965.db2.gz ZAESKJJNRVLULZ-KBPBESRZSA-N 1 2 376.523 0.066 10 0 GCAELO CN(CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)S(C)(=O)=O ZINC000110980276 530932365 /nfs/dbraw/zinc/93/23/65/530932365.db2.gz DAXXOORABHSSDC-LBPRGKRZSA-N 1 2 375.441 0.937 10 0 GCAELO CN(CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)S(C)(=O)=O ZINC000110980276 530932371 /nfs/dbraw/zinc/93/23/71/530932371.db2.gz DAXXOORABHSSDC-LBPRGKRZSA-N 1 2 375.441 0.937 10 0 GCAELO O=C(Cc1ccc(F)c(Br)c1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000125499794 530921437 /nfs/dbraw/zinc/92/14/37/530921437.db2.gz SKYHDHJCQYGKHL-GFCCVEGCSA-N 1 2 375.238 0.940 10 0 GCAELO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000042146458 530928453 /nfs/dbraw/zinc/92/84/53/530928453.db2.gz ZSDGLFJJANIZQM-LLVKDONJSA-N 1 2 385.262 0.644 10 0 GCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194095367 530949628 /nfs/dbraw/zinc/94/96/28/530949628.db2.gz FDLUWYVSVIMVEU-ZFWWWQNUSA-N 1 2 385.258 0.562 10 0 GCAELO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ncc1Br ZINC000193609776 530949925 /nfs/dbraw/zinc/94/99/25/530949925.db2.gz QURVBUAJMMJFJD-LLVKDONJSA-N 1 2 382.262 0.207 10 0 GCAELO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262975523 531000085 /nfs/dbraw/zinc/00/00/85/531000085.db2.gz MGJFFOSNTTZWCB-NSHDSACASA-N 1 2 378.401 0.122 10 0 GCAELO COC(=O)[C@@H](c1c(F)cccc1Cl)N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000542213317 531064195 /nfs/dbraw/zinc/06/41/95/531064195.db2.gz YKUMNQAARMWNTB-CQSZACIVSA-N 1 2 393.868 0.599 10 0 GCAELO CC(C)(CNc1ccc2nnc(C(F)(F)F)n2n1)[NH+]1CCS(=O)CC1 ZINC000329529730 531055949 /nfs/dbraw/zinc/05/59/49/531055949.db2.gz UAYFBRVRVZHMBW-UHFFFAOYSA-N 1 2 376.408 1.398 10 0 GCAELO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000671686470 531081999 /nfs/dbraw/zinc/08/19/99/531081999.db2.gz DFYNKCWOAHXWQJ-HNNXBMFYSA-N 1 2 375.516 0.784 10 0 GCAELO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000671686470 531082001 /nfs/dbraw/zinc/08/20/01/531082001.db2.gz DFYNKCWOAHXWQJ-HNNXBMFYSA-N 1 2 375.516 0.784 10 0 GCAELO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000671686471 531082189 /nfs/dbraw/zinc/08/21/89/531082189.db2.gz DFYNKCWOAHXWQJ-OAHLLOKOSA-N 1 2 375.516 0.784 10 0 GCAELO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000671686471 531082193 /nfs/dbraw/zinc/08/21/93/531082193.db2.gz DFYNKCWOAHXWQJ-OAHLLOKOSA-N 1 2 375.516 0.784 10 0 GCAELO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000368646771 531087591 /nfs/dbraw/zinc/08/75/91/531087591.db2.gz WEORCIXRTDAXBX-RBSFLKMASA-N 1 2 375.535 0.829 10 0 GCAELO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000368646771 531087595 /nfs/dbraw/zinc/08/75/95/531087595.db2.gz WEORCIXRTDAXBX-RBSFLKMASA-N 1 2 375.535 0.829 10 0 GCAELO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)[O-] ZINC000255967758 212137303 /nfs/dbraw/zinc/13/73/03/212137303.db2.gz CSFVADKICPDRRF-SOUVJXGZSA-N 1 2 381.477 0.426 10 0 GCAELO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)[O-] ZINC000255967758 212137307 /nfs/dbraw/zinc/13/73/07/212137307.db2.gz CSFVADKICPDRRF-SOUVJXGZSA-N 1 2 381.477 0.426 10 0 GCAELO O=C(NCC[NH+]1CCOCC1)C1CCN(c2cncnc2N2CCCC2)CC1 ZINC000065226331 136160245 /nfs/dbraw/zinc/16/02/45/136160245.db2.gz YMTSUDAUGDRNMS-UHFFFAOYSA-N 1 2 388.516 0.742 10 0 GCAELO CC(C)S(=O)(=O)N1CCC(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000332758721 570699832 /nfs/dbraw/zinc/69/98/32/570699832.db2.gz OGIVZZOABVZEPJ-HZPDHXFCSA-N 1 2 388.534 0.304 10 0 GCAELO CC(C)S(=O)(=O)N1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000332758721 570699835 /nfs/dbraw/zinc/69/98/35/570699835.db2.gz OGIVZZOABVZEPJ-HZPDHXFCSA-N 1 2 388.534 0.304 10 0 GCAELO C[C@H]1CCCN1S(=O)(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000770261861 640801328 /nfs/dbraw/zinc/80/13/28/640801328.db2.gz FQALWCUXSJHUPW-UONOGXRCSA-N 1 2 376.523 0.856 10 0 GCAELO C[C@H]1CCCN1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000770261861 640801332 /nfs/dbraw/zinc/80/13/32/640801332.db2.gz FQALWCUXSJHUPW-UONOGXRCSA-N 1 2 376.523 0.856 10 0 GCAELO COC(=O)c1cccc(NC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000510249978 1184658292 /nfs/dbraw/zinc/65/82/92/1184658292.db2.gz BXSLBUACBBQATM-UHFFFAOYSA-N 1 2 383.470 0.673 10 0 GCAELO Cn1ccnc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)c1=O ZINC000275799417 1185075592 /nfs/dbraw/zinc/07/55/92/1185075592.db2.gz URGFEWJSAIZAES-JKSUJKDBSA-N 1 2 397.483 0.722 10 0 GCAELO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000580767240 1185351164 /nfs/dbraw/zinc/35/11/64/1185351164.db2.gz HIQXVUXZUBAQRG-UHFFFAOYSA-N 1 2 398.510 0.726 10 0 GCAELO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1C(N)=O ZINC000261852810 1185506986 /nfs/dbraw/zinc/50/69/86/1185506986.db2.gz QIRNIKSUJDVDQO-OAHLLOKOSA-N 1 2 376.438 0.524 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@@H]21 ZINC000581443541 1185690926 /nfs/dbraw/zinc/69/09/26/1185690926.db2.gz DOFBKVLOGFWOTD-HOTGVXAUSA-N 1 2 387.440 0.675 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@@H]21 ZINC000581443541 1185690934 /nfs/dbraw/zinc/69/09/34/1185690934.db2.gz DOFBKVLOGFWOTD-HOTGVXAUSA-N 1 2 387.440 0.675 10 0 GCAELO CNS(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1 ZINC000471757779 1185928513 /nfs/dbraw/zinc/92/85/13/1185928513.db2.gz SMPFGYZHTLCFAH-CYBMUJFWSA-N 1 2 383.470 0.304 10 0 GCAELO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](NC(N)=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000535681277 1186199104 /nfs/dbraw/zinc/19/91/04/1186199104.db2.gz RZFMEHAFCQTNCK-KGLIPLIRSA-N 1 2 386.456 0.554 10 0 GCAELO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](NC(N)=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000535681277 1186199106 /nfs/dbraw/zinc/19/91/06/1186199106.db2.gz RZFMEHAFCQTNCK-KGLIPLIRSA-N 1 2 386.456 0.554 10 0 GCAELO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000151213359 1186284428 /nfs/dbraw/zinc/28/44/28/1186284428.db2.gz QZFZGAMDEXGREV-OFQRWUPVSA-N 1 2 391.497 0.952 10 0 GCAELO CCN(C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1)S(C)(=O)=O ZINC000066882756 1186589191 /nfs/dbraw/zinc/58/91/91/1186589191.db2.gz WOVRPJTYORTMCJ-IRXDYDNUSA-N 1 2 387.546 0.902 10 0 GCAELO COc1cccc([C@@H]2C[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)c1 ZINC000120319504 1186711099 /nfs/dbraw/zinc/71/10/99/1186711099.db2.gz CHLMEZDUGJJVBE-INIZCTEOSA-N 1 2 399.451 0.516 10 0 GCAELO COc1cccc([C@@H]2C[N@@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)c1 ZINC000120319504 1186711102 /nfs/dbraw/zinc/71/11/02/1186711102.db2.gz CHLMEZDUGJJVBE-INIZCTEOSA-N 1 2 399.451 0.516 10 0 GCAELO Cc1cc(N2CC[NH+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n2ncnc2n1 ZINC000159054507 1187007676 /nfs/dbraw/zinc/00/76/76/1187007676.db2.gz GGTLJSIZPZGTPP-MRXNPFEDSA-N 1 2 395.471 0.484 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000685408073 1187124440 /nfs/dbraw/zinc/12/44/40/1187124440.db2.gz UMOTVIIBUONJBO-ICUGJSFKSA-N 1 2 391.512 0.629 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)C[C@@H]21 ZINC000332783660 1187772290 /nfs/dbraw/zinc/77/22/90/1187772290.db2.gz LITOZFIMSXJPJU-HOTGVXAUSA-N 1 2 386.456 0.998 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)C[C@@H]21 ZINC000332783660 1187772295 /nfs/dbraw/zinc/77/22/95/1187772295.db2.gz LITOZFIMSXJPJU-HOTGVXAUSA-N 1 2 386.456 0.998 10 0 GCAELO C[C@@H]1CCCN1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000472600277 1187862509 /nfs/dbraw/zinc/86/25/09/1187862509.db2.gz XVSSTEUOWLIPII-OAHLLOKOSA-N 1 2 396.517 0.164 10 0 GCAELO C[C@@H]1CCCN1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000472600277 1187862510 /nfs/dbraw/zinc/86/25/10/1187862510.db2.gz XVSSTEUOWLIPII-OAHLLOKOSA-N 1 2 396.517 0.164 10 0 GCAELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000181173338 1187996833 /nfs/dbraw/zinc/99/68/33/1187996833.db2.gz QLLAGXLWZMWGNT-CQSZACIVSA-N 1 2 398.504 0.946 10 0 GCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000549386875 1189400490 /nfs/dbraw/zinc/40/04/90/1189400490.db2.gz VQXVCXOLTVWIFX-CYBMUJFWSA-N 1 2 380.445 0.197 10 0 GCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000549386877 1189400950 /nfs/dbraw/zinc/40/09/50/1189400950.db2.gz VQXVCXOLTVWIFX-ZDUSSCGKSA-N 1 2 380.445 0.197 10 0 GCAELO Cc1cc(C)cc([C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000173521297 1189587858 /nfs/dbraw/zinc/58/78/58/1189587858.db2.gz BPCUWLQQBFZXIH-IBGZPJMESA-N 1 2 396.557 0.447 10 0 GCAELO c1cn(C[C@H]2CCN(c3cc(N4CC[C@H](Cn5ccnn5)C4)[nH+]cn3)C2)nn1 ZINC000664170057 1193934564 /nfs/dbraw/zinc/93/45/64/1193934564.db2.gz ZYTMEEFDFKJFLW-HOTGVXAUSA-N 1 2 380.460 0.713 10 0 GCAELO CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000434797885 1194869485 /nfs/dbraw/zinc/86/94/85/1194869485.db2.gz UOKYVTCPTIMNJU-FQEVSTJZSA-N 1 2 388.468 0.902 10 0 GCAELO CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000434797885 1194869488 /nfs/dbraw/zinc/86/94/88/1194869488.db2.gz UOKYVTCPTIMNJU-FQEVSTJZSA-N 1 2 388.468 0.902 10 0 GCAELO COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434787544 1194869859 /nfs/dbraw/zinc/86/98/59/1194869859.db2.gz RBTOZKHHHFUQJX-LJQANCHMSA-N 1 2 390.440 0.037 10 0 GCAELO COc1ccc(CCNC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434787544 1194869861 /nfs/dbraw/zinc/86/98/61/1194869861.db2.gz RBTOZKHHHFUQJX-LJQANCHMSA-N 1 2 390.440 0.037 10 0 GCAELO CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000434794175 1194870313 /nfs/dbraw/zinc/87/03/13/1194870313.db2.gz CYZKMWCBWPOMOE-FQEVSTJZSA-N 1 2 388.468 0.902 10 0 GCAELO CC(C)OCc1cccc(CNC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000434794175 1194870315 /nfs/dbraw/zinc/87/03/15/1194870315.db2.gz CYZKMWCBWPOMOE-FQEVSTJZSA-N 1 2 388.468 0.902 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000514962200 1194931934 /nfs/dbraw/zinc/93/19/34/1194931934.db2.gz HCJCPAYHPAVDAA-CWQOZTLDSA-N 1 2 393.528 0.875 10 0 GCAELO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000516214082 1195034347 /nfs/dbraw/zinc/03/43/47/1195034347.db2.gz UCEBQLKPOZSONE-MLHJIOFPSA-N 1 2 379.501 0.774 10 0 GCAELO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000549994676 1195147107 /nfs/dbraw/zinc/14/71/07/1195147107.db2.gz AOJGOYGTGYIMKG-KURKYZTESA-N 1 2 375.469 0.687 10 0 GCAELO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000549994676 1195147109 /nfs/dbraw/zinc/14/71/09/1195147109.db2.gz AOJGOYGTGYIMKG-KURKYZTESA-N 1 2 375.469 0.687 10 0 GCAELO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000517594566 1195196908 /nfs/dbraw/zinc/19/69/08/1195196908.db2.gz CYRNZQOMBQFCSZ-UHFFFAOYSA-N 1 2 389.374 0.992 10 0 GCAELO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[NH2+]C[C@](C)(F)C3)cc2CC1 ZINC000519548736 1195429093 /nfs/dbraw/zinc/42/90/93/1195429093.db2.gz YNOUUDBRYXIAJD-SFHVURJKSA-N 1 2 383.489 0.956 10 0 GCAELO Cc1ccc2[nH]c(CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)nc2c1 ZINC000550277653 1195476553 /nfs/dbraw/zinc/47/65/53/1195476553.db2.gz CEUBRZSDXQSLNP-KRWDZBQOSA-N 1 2 387.484 0.961 10 0 GCAELO CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)ccc21 ZINC000427434509 1195539861 /nfs/dbraw/zinc/53/98/61/1195539861.db2.gz IHBNXKJUHAAFID-AWEZNQCLSA-N 1 2 388.468 0.449 10 0 GCAELO CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)ccc21 ZINC000427434509 1195539864 /nfs/dbraw/zinc/53/98/64/1195539864.db2.gz IHBNXKJUHAAFID-AWEZNQCLSA-N 1 2 388.468 0.449 10 0 GCAELO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)Nc1cccc2c1OCCC2 ZINC000440715922 1195578816 /nfs/dbraw/zinc/57/88/16/1195578816.db2.gz UBHJYLZTJOOXKL-UHFFFAOYSA-N 1 2 399.451 1.118 10 0 GCAELO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(c3cc[nH+]c(C)n3)CC1)C2 ZINC000550333971 1195635196 /nfs/dbraw/zinc/63/51/96/1195635196.db2.gz IJKSKCONNFIDJJ-MRXNPFEDSA-N 1 2 395.467 0.206 10 0 GCAELO Cn1ncc2c1ncn(CC(=O)NC[C@@H]1C[N@H+](Cc3ccccc3)CCO1)c2=O ZINC000248035265 1195740791 /nfs/dbraw/zinc/74/07/91/1195740791.db2.gz MMPUDFHHIUHPNZ-MRXNPFEDSA-N 1 2 396.451 0.147 10 0 GCAELO Cn1ncc2c1ncn(CC(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)c2=O ZINC000248035265 1195740794 /nfs/dbraw/zinc/74/07/94/1195740794.db2.gz MMPUDFHHIUHPNZ-MRXNPFEDSA-N 1 2 396.451 0.147 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)CC[N@@H+]1CCO ZINC000190036919 1195755791 /nfs/dbraw/zinc/75/57/91/1195755791.db2.gz PJVVOZFFRQZKTN-ZDUSSCGKSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)CC[N@H+]1CCO ZINC000190036919 1195755795 /nfs/dbraw/zinc/75/57/95/1195755795.db2.gz PJVVOZFFRQZKTN-ZDUSSCGKSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC[N@@H+]1CCO ZINC000190038442 1195755840 /nfs/dbraw/zinc/75/58/40/1195755840.db2.gz OIDAZQBKNKAGJV-SNVBAGLBSA-N 1 2 381.383 0.964 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC[N@H+]1CCO ZINC000190038442 1195755843 /nfs/dbraw/zinc/75/58/43/1195755843.db2.gz OIDAZQBKNKAGJV-SNVBAGLBSA-N 1 2 381.383 0.964 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC[N@@H+]1CCO ZINC000190038462 1195756004 /nfs/dbraw/zinc/75/60/04/1195756004.db2.gz OIDAZQBKNKAGJV-JTQLQIEISA-N 1 2 381.383 0.964 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC[N@H+]1CCO ZINC000190038462 1195756007 /nfs/dbraw/zinc/75/60/07/1195756007.db2.gz OIDAZQBKNKAGJV-JTQLQIEISA-N 1 2 381.383 0.964 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)CC[N@@H+]1CCO ZINC000190040422 1195756030 /nfs/dbraw/zinc/75/60/30/1195756030.db2.gz QXGYGOMDJDZOSD-ZDUSSCGKSA-N 1 2 375.404 0.475 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)CC[N@H+]1CCO ZINC000190040422 1195756031 /nfs/dbraw/zinc/75/60/31/1195756031.db2.gz QXGYGOMDJDZOSD-ZDUSSCGKSA-N 1 2 375.404 0.475 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)CC[N@@H+]1CCO ZINC000190039729 1195756036 /nfs/dbraw/zinc/75/60/36/1195756036.db2.gz XHKLOTUEIRMWKT-MRXNPFEDSA-N 1 2 385.468 0.589 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)CC[N@H+]1CCO ZINC000190039729 1195756039 /nfs/dbraw/zinc/75/60/39/1195756039.db2.gz XHKLOTUEIRMWKT-MRXNPFEDSA-N 1 2 385.468 0.589 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H](C)[C@H](C)CO)CC1 ZINC000445154304 1196554044 /nfs/dbraw/zinc/55/40/44/1196554044.db2.gz ZRRKTNWZWUPPFE-HUUCEWRRSA-N 1 2 390.484 0.422 10 0 GCAELO COc1ccc([C@@H]2[C@H](C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC(=O)N2C)cc1 ZINC000116194525 1196795924 /nfs/dbraw/zinc/79/59/24/1196795924.db2.gz HWZGRDASBHBQFU-QKYXUNIQSA-N 1 2 388.512 0.967 10 0 GCAELO CC(=O)[C@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000450324849 1196924705 /nfs/dbraw/zinc/92/47/05/1196924705.db2.gz RKLRZEMIPOIKLS-GOSISDBHSA-N 1 2 398.481 0.494 10 0 GCAELO CC(=O)[C@](C)(O)C[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000450324849 1196924708 /nfs/dbraw/zinc/92/47/08/1196924708.db2.gz RKLRZEMIPOIKLS-GOSISDBHSA-N 1 2 398.481 0.494 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)N(C)c2ccccc2C(=O)OC)CC12COC2 ZINC000451131936 1196974198 /nfs/dbraw/zinc/97/41/98/1196974198.db2.gz HVTDYHFRLSWWRU-OAHLLOKOSA-N 1 2 390.436 0.948 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N(C)c2ccccc2C(=O)OC)CC12COC2 ZINC000451131936 1196974201 /nfs/dbraw/zinc/97/42/01/1196974201.db2.gz HVTDYHFRLSWWRU-OAHLLOKOSA-N 1 2 390.436 0.948 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC12COC2 ZINC000451133967 1196974609 /nfs/dbraw/zinc/97/46/09/1196974609.db2.gz KEIJLCPTXDYVRR-UONOGXRCSA-N 1 2 387.436 0.872 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC12COC2 ZINC000451133967 1196974610 /nfs/dbraw/zinc/97/46/10/1196974610.db2.gz KEIJLCPTXDYVRR-UONOGXRCSA-N 1 2 387.436 0.872 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC12COC2 ZINC000451138179 1196975345 /nfs/dbraw/zinc/97/53/45/1196975345.db2.gz QDFHZMZVOROSNP-WBVHZDCISA-N 1 2 389.452 0.101 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC12COC2 ZINC000451138179 1196975346 /nfs/dbraw/zinc/97/53/46/1196975346.db2.gz QDFHZMZVOROSNP-WBVHZDCISA-N 1 2 389.452 0.101 10 0 GCAELO O=C(CN1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1)N1CCCC1 ZINC000122463108 1197036887 /nfs/dbraw/zinc/03/68/87/1197036887.db2.gz HCJWWDQOJQORJS-RTBURBONSA-N 1 2 392.544 0.787 10 0 GCAELO O=C(CN1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1)N1CCCC1 ZINC000122463108 1197036891 /nfs/dbraw/zinc/03/68/91/1197036891.db2.gz HCJWWDQOJQORJS-RTBURBONSA-N 1 2 392.544 0.787 10 0 GCAELO CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181092928 1197203336 /nfs/dbraw/zinc/20/33/36/1197203336.db2.gz VDVJSCBJZQEOOV-QAPCUYQASA-N 1 2 398.866 0.983 10 0 GCAELO CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181092928 1197203339 /nfs/dbraw/zinc/20/33/39/1197203339.db2.gz VDVJSCBJZQEOOV-QAPCUYQASA-N 1 2 398.866 0.983 10 0 GCAELO CCOC(=O)[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC12COC2 ZINC000454250834 1197380302 /nfs/dbraw/zinc/38/03/02/1197380302.db2.gz ITFBGUYIUGTCMB-HNNXBMFYSA-N 1 2 376.457 0.983 10 0 GCAELO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000246985110 1197474525 /nfs/dbraw/zinc/47/45/25/1197474525.db2.gz HKQXNSZRGBBPRJ-LZLYRXPVSA-N 1 2 379.526 0.885 10 0 GCAELO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000246985110 1197474527 /nfs/dbraw/zinc/47/45/27/1197474527.db2.gz HKQXNSZRGBBPRJ-LZLYRXPVSA-N 1 2 379.526 0.885 10 0 GCAELO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000248639904 1197479540 /nfs/dbraw/zinc/47/95/40/1197479540.db2.gz ZBCXZPPICPRZAO-IHRRRGAJSA-N 1 2 377.470 0.610 10 0 GCAELO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000261763395 1197514323 /nfs/dbraw/zinc/51/43/23/1197514323.db2.gz RLOMBISUPFMDIT-INIZCTEOSA-N 1 2 397.497 0.725 10 0 GCAELO O=C(CN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1)N1CCc2ccccc21 ZINC000263042987 1197540538 /nfs/dbraw/zinc/54/05/38/1197540538.db2.gz SZTMRBAHWSZYOB-HNNXBMFYSA-N 1 2 378.423 0.717 10 0 GCAELO Cn1c2[nH]c(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)nc2c(=O)n(C)c1=O ZINC000162788660 1197571166 /nfs/dbraw/zinc/57/11/66/1197571166.db2.gz VZQUZDLMALRQNO-VXGBXAGGSA-N 1 2 379.486 0.447 10 0 GCAELO Cn1c2[nH]c(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)nc2c(=O)n(C)c1=O ZINC000162788660 1197571169 /nfs/dbraw/zinc/57/11/69/1197571169.db2.gz VZQUZDLMALRQNO-VXGBXAGGSA-N 1 2 379.486 0.447 10 0 GCAELO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672146317 1199137821 /nfs/dbraw/zinc/13/78/21/1199137821.db2.gz IKOQOVZYXUIJGE-HNNXBMFYSA-N 1 2 390.465 0.885 10 0 GCAELO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672146318 1199137898 /nfs/dbraw/zinc/13/78/98/1199137898.db2.gz IKOQOVZYXUIJGE-OAHLLOKOSA-N 1 2 390.465 0.885 10 0 GCAELO COC(=O)[C@@H](C1CC1)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000542916852 1199155177 /nfs/dbraw/zinc/15/51/77/1199155177.db2.gz YATPAXSKVLEYGS-GOSISDBHSA-N 1 2 375.469 0.994 10 0 GCAELO c1ncc(N2CC[NH+]([C@@H]3CCOC3)CC2)nc1N1CCN([C@@H]2CCOC2)CC1 ZINC000672240193 1199168634 /nfs/dbraw/zinc/16/86/34/1199168634.db2.gz JIAIEBFXQHEKNO-QZTJIDSGSA-N 1 2 388.516 0.298 10 0 GCAELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000672530619 1199259666 /nfs/dbraw/zinc/25/96/66/1199259666.db2.gz QCWRCWFWDTWHAK-ZBFHGGJFSA-N 1 2 381.436 0.658 10 0 GCAELO Cc1ccc2[nH]c(CNC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000672751545 1199326247 /nfs/dbraw/zinc/32/62/47/1199326247.db2.gz DPHOLZBZLDCVNN-HNNXBMFYSA-N 1 2 385.468 0.811 10 0 GCAELO CC1CC[NH+](Cc2csc(NC(=O)CN(C)Cc3nnnn3C)n2)CC1 ZINC000466486438 1199741818 /nfs/dbraw/zinc/74/18/18/1199741818.db2.gz MGHUDQLJTFPDFH-UHFFFAOYSA-N 1 2 378.506 0.969 10 0 GCAELO CO[C@@H](C)[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000466487005 1199744816 /nfs/dbraw/zinc/74/48/16/1199744816.db2.gz VWVUFIPYUCYBGN-GJZGRUSLSA-N 1 2 399.517 0.256 10 0 GCAELO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000274437823 1199971657 /nfs/dbraw/zinc/97/16/57/1199971657.db2.gz RRXSPBZJMZQGDV-DNVCBOLYSA-N 1 2 377.441 0.444 10 0 GCAELO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000274437823 1199971658 /nfs/dbraw/zinc/97/16/58/1199971658.db2.gz RRXSPBZJMZQGDV-DNVCBOLYSA-N 1 2 377.441 0.444 10 0 GCAELO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000674501791 1200256795 /nfs/dbraw/zinc/25/67/95/1200256795.db2.gz RAKLFSORIOUOLN-QGZVFWFLSA-N 1 2 395.463 0.862 10 0 GCAELO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000674501791 1200256802 /nfs/dbraw/zinc/25/68/02/1200256802.db2.gz RAKLFSORIOUOLN-QGZVFWFLSA-N 1 2 395.463 0.862 10 0 GCAELO NC(=O)[C@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000675803884 1200460540 /nfs/dbraw/zinc/46/05/40/1200460540.db2.gz MEUOENHSEBOPBW-JKSUJKDBSA-N 1 2 387.484 0.671 10 0 GCAELO Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000676266705 1200523363 /nfs/dbraw/zinc/52/33/63/1200523363.db2.gz WBMGYKSWHYXYEM-UHFFFAOYSA-N 1 2 382.490 0.032 10 0 GCAELO C[C@H](c1cccc(NC(=O)C(=O)N(C)Cc2nnnn2C)c1)[NH+]1CCOCC1 ZINC000466675903 1200843018 /nfs/dbraw/zinc/84/30/18/1200843018.db2.gz CTFBCWZGNVMMAA-CYBMUJFWSA-N 1 2 387.444 0.200 10 0 GCAELO CCCCCCOCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000730829360 1201465458 /nfs/dbraw/zinc/46/54/58/1201465458.db2.gz DDAZKUGZWSZCNB-UHFFFAOYSA-N 1 2 390.550 0.220 10 0 GCAELO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)C1=O ZINC000733296423 1201585100 /nfs/dbraw/zinc/58/51/00/1201585100.db2.gz FNYHWVQQWBQDGL-GOSISDBHSA-N 1 2 378.429 0.697 10 0 GCAELO Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(C(=O)N4CCCC4)CC3)C2=O)cn1 ZINC000746374856 1201915545 /nfs/dbraw/zinc/91/55/45/1201915545.db2.gz QLFDZLBGIPDLRP-KRWDZBQOSA-N 1 2 387.484 0.630 10 0 GCAELO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCCc2[nH]cc[nH+]2)C1=O ZINC000771484968 1202143733 /nfs/dbraw/zinc/14/37/33/1202143733.db2.gz GTETYLDYIOQAGK-LJQANCHMSA-N 1 2 385.424 0.853 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)NCC[S@](=O)CC)CC[N@@H+]1Cc1ccccc1 ZINC000805606713 1205540280 /nfs/dbraw/zinc/54/02/80/1205540280.db2.gz LIXVGRSXVZKXJU-WGDIFIGCSA-N 1 2 379.526 0.994 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)NCC[S@](=O)CC)CC[N@H+]1Cc1ccccc1 ZINC000805606713 1205540282 /nfs/dbraw/zinc/54/02/82/1205540282.db2.gz LIXVGRSXVZKXJU-WGDIFIGCSA-N 1 2 379.526 0.994 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000805606846 1205540437 /nfs/dbraw/zinc/54/04/37/1205540437.db2.gz BLDSCVVGOARMGZ-AREMUKBSSA-N 1 2 380.514 0.810 10 0 GCAELO CC[S@@](=O)CCNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000805608234 1205540635 /nfs/dbraw/zinc/54/06/35/1205540635.db2.gz BQOMJOLBEACISC-HHHXNRCGSA-N 1 2 395.529 0.442 10 0 GCAELO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCCc2c[nH+]cn2C)C1=O ZINC000773854690 1205823618 /nfs/dbraw/zinc/82/36/18/1205823618.db2.gz WDXZKYNMJUSHFN-HXUWFJFHSA-N 1 2 399.451 0.863 10 0 GCAELO C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)C[C@@H]1CCS(=O)(=O)C1 ZINC000607157919 530121711 /nfs/dbraw/zinc/12/17/11/530121711.db2.gz CDKLLVZDFKDFOT-ZDUSSCGKSA-N 1 2 376.500 0.931 10 0 GCAELO C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)C[C@@H]1CCS(=O)(=O)C1 ZINC000607157919 530121715 /nfs/dbraw/zinc/12/17/15/530121715.db2.gz CDKLLVZDFKDFOT-ZDUSSCGKSA-N 1 2 376.500 0.931 10 0 GCAELO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000179544034 530132386 /nfs/dbraw/zinc/13/23/86/530132386.db2.gz YGYHDIIAWVBQOL-TZMCWYRMSA-N 1 2 387.274 0.714 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C[C@@H]21 ZINC000286475212 530150202 /nfs/dbraw/zinc/15/02/02/530150202.db2.gz SDPHEZVTNXGZAE-VHSXEESVSA-N 1 2 379.891 0.594 10 0 GCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C[C@@H]21 ZINC000286475212 530150205 /nfs/dbraw/zinc/15/02/05/530150205.db2.gz SDPHEZVTNXGZAE-VHSXEESVSA-N 1 2 379.891 0.594 10 0 GCAELO O=C(c1csc(S(=O)(=O)N2CCOCC2)c1)N1CCn2cc[nH+]c2C1 ZINC000329700120 530294101 /nfs/dbraw/zinc/29/41/01/530294101.db2.gz GLORBFZYXDYNFF-UHFFFAOYSA-N 1 2 382.467 0.622 10 0 GCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(I)c[nH]1 ZINC000132850754 530291759 /nfs/dbraw/zinc/29/17/59/530291759.db2.gz XCWKCXVBNHSIMF-JTQLQIEISA-N 1 2 379.198 0.042 10 0 GCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(I)cc1 ZINC000154106381 530317533 /nfs/dbraw/zinc/31/75/33/530317533.db2.gz FVQIJJNXUSXHPQ-ZDUSSCGKSA-N 1 2 390.221 0.714 10 0 GCAELO O=C(COc1ccc(Br)cc1F)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154141876 530318066 /nfs/dbraw/zinc/31/80/66/530318066.db2.gz AHRRNNOYPDMBGX-LBPRGKRZSA-N 1 2 391.237 0.776 10 0 GCAELO CCC(CC)[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000332902164 530331395 /nfs/dbraw/zinc/33/13/95/530331395.db2.gz RXFILVKNVCNLGM-GOEBONIOSA-N 1 2 375.535 0.952 10 0 GCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1[nH]nc2ccc(Br)cc21 ZINC000179477257 530366327 /nfs/dbraw/zinc/36/63/27/530366327.db2.gz YOMTZSPDEUSNQC-NSHDSACASA-N 1 2 383.246 0.748 10 0 GCAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1cccc(I)c1 ZINC000185138444 530377268 /nfs/dbraw/zinc/37/72/68/530377268.db2.gz YLTRCKATLXHAGK-VXGBXAGGSA-N 1 2 376.194 0.657 10 0 GCAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1cccc(I)c1 ZINC000185138444 530377269 /nfs/dbraw/zinc/37/72/69/530377269.db2.gz YLTRCKATLXHAGK-VXGBXAGGSA-N 1 2 376.194 0.657 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000187694565 530381426 /nfs/dbraw/zinc/38/14/26/530381426.db2.gz QHWJCLAEUGEOCB-UONOGXRCSA-N 1 2 376.429 0.558 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000187694565 530381427 /nfs/dbraw/zinc/38/14/27/530381427.db2.gz QHWJCLAEUGEOCB-UONOGXRCSA-N 1 2 376.429 0.558 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C[C@H]21 ZINC000284122379 530383776 /nfs/dbraw/zinc/38/37/76/530383776.db2.gz OTFIMADZQRTVRP-GHMZBOCLSA-N 1 2 381.234 0.432 10 0 GCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C[C@H]21 ZINC000284122379 530383778 /nfs/dbraw/zinc/38/37/78/530383778.db2.gz OTFIMADZQRTVRP-GHMZBOCLSA-N 1 2 381.234 0.432 10 0 GCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1C ZINC000193277083 530392885 /nfs/dbraw/zinc/39/28/85/530392885.db2.gz CXMIGNSCXJLJTG-LLVKDONJSA-N 1 2 385.262 0.962 10 0 GCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1C ZINC000193277083 530392887 /nfs/dbraw/zinc/39/28/87/530392887.db2.gz CXMIGNSCXJLJTG-LLVKDONJSA-N 1 2 385.262 0.962 10 0 GCAELO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)[C@@H]2C1 ZINC000408147122 530411473 /nfs/dbraw/zinc/41/14/73/530411473.db2.gz ZVOPIDYIBZWWIK-BXUZGUMPSA-N 1 2 391.490 0.912 10 0 GCAELO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)[C@@H]2C1 ZINC000408147122 530411475 /nfs/dbraw/zinc/41/14/75/530411475.db2.gz ZVOPIDYIBZWWIK-BXUZGUMPSA-N 1 2 391.490 0.912 10 0 GCAELO CNS(=O)(=O)CCC[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000408130550 530408942 /nfs/dbraw/zinc/40/89/42/530408942.db2.gz VMLLKCZLDQOTMF-UHFFFAOYSA-N 1 2 396.579 0.053 10 0 GCAELO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000051795287 530474545 /nfs/dbraw/zinc/47/45/45/530474545.db2.gz KOAPHESUCQPQCY-GFCCVEGCSA-N 1 2 384.278 0.608 10 0 GCAELO O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000299300799 530489408 /nfs/dbraw/zinc/48/94/08/530489408.db2.gz ACFBDNPPTXYPRL-UHFFFAOYSA-N 1 2 385.511 0.596 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CSc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328897424 530518489 /nfs/dbraw/zinc/51/84/89/530518489.db2.gz WDMDNRLWLQURET-UWVGGRQHSA-N 1 2 380.396 0.259 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CSc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328897424 530518490 /nfs/dbraw/zinc/51/84/90/530518490.db2.gz WDMDNRLWLQURET-UWVGGRQHSA-N 1 2 380.396 0.259 10 0 GCAELO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCSC[C@@H]2CCO)ccc1C ZINC000470213197 530692771 /nfs/dbraw/zinc/69/27/71/530692771.db2.gz FIYKELFRIGVJSX-AWEZNQCLSA-N 1 2 387.527 0.641 10 0 GCAELO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCSC[C@@H]2CCO)ccc1C ZINC000470213197 530692772 /nfs/dbraw/zinc/69/27/72/530692772.db2.gz FIYKELFRIGVJSX-AWEZNQCLSA-N 1 2 387.527 0.641 10 0 GCAELO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H]1C ZINC000472680838 530707018 /nfs/dbraw/zinc/70/70/18/530707018.db2.gz BLERUWDUGNHMQE-GJZGRUSLSA-N 1 2 381.564 0.546 10 0 GCAELO O[C@H](Cn1nnc(Cc2cccc(Br)c2)n1)C[NH+]1CCOCC1 ZINC000193430422 530749242 /nfs/dbraw/zinc/74/92/42/530749242.db2.gz JCZCKFCXDKBGOU-AWEZNQCLSA-N 1 2 382.262 0.720 10 0 GCAELO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)s1 ZINC000373764451 530784984 /nfs/dbraw/zinc/78/49/84/530784984.db2.gz BZGILEIILGZXGD-UHFFFAOYSA-N 1 2 391.515 0.335 10 0 GCAELO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)s1 ZINC000373764451 530784986 /nfs/dbraw/zinc/78/49/86/530784986.db2.gz BZGILEIILGZXGD-UHFFFAOYSA-N 1 2 391.515 0.335 10 0 GCAELO O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000174037947 530847746 /nfs/dbraw/zinc/84/77/46/530847746.db2.gz INLKVXSZNVWFRK-LLVKDONJSA-N 1 2 386.246 0.705 10 0 GCAELO CN(CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000178642633 530851888 /nfs/dbraw/zinc/85/18/88/530851888.db2.gz FYJOXFIGXSYCEC-CQSZACIVSA-N 1 2 386.905 0.077 10 0 GCAELO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178965462 530852004 /nfs/dbraw/zinc/85/20/04/530852004.db2.gz XFKZDSMGUQVBHV-LBPRGKRZSA-N 1 2 381.274 0.812 10 0 GCAELO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c(Br)c1 ZINC000178957506 530852194 /nfs/dbraw/zinc/85/21/94/530852194.db2.gz GGMMRONNNBCGQM-LBPRGKRZSA-N 1 2 381.274 0.812 10 0 GCAELO Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1Br ZINC000178963282 530852266 /nfs/dbraw/zinc/85/22/66/530852266.db2.gz PDSPUWWFPZJSSK-ZDUSSCGKSA-N 1 2 381.274 0.812 10 0 GCAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc(Br)cc1F ZINC000178959165 530852273 /nfs/dbraw/zinc/85/22/73/530852273.db2.gz AFSZXPZOYRFGCZ-NSHDSACASA-N 1 2 385.237 0.643 10 0 GCAELO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(Br)c1 ZINC000178957494 530852392 /nfs/dbraw/zinc/85/23/92/530852392.db2.gz GGMMRONNNBCGQM-GFCCVEGCSA-N 1 2 381.274 0.812 10 0 GCAELO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178963070 530852449 /nfs/dbraw/zinc/85/24/49/530852449.db2.gz LAGKIGPSDPTGJQ-CYBMUJFWSA-N 1 2 381.274 0.812 10 0 GCAELO Cc1cc(I)ccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185143287 530855489 /nfs/dbraw/zinc/85/54/89/530855489.db2.gz RMECMRJLVIUYTN-NEPJUHHUSA-N 1 2 390.221 0.966 10 0 GCAELO Cc1cc(I)ccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185143287 530855490 /nfs/dbraw/zinc/85/54/90/530855490.db2.gz RMECMRJLVIUYTN-NEPJUHHUSA-N 1 2 390.221 0.966 10 0 GCAELO NS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000171902127 530843423 /nfs/dbraw/zinc/84/34/23/530843423.db2.gz DUNMLUNUJRAAQA-NSHDSACASA-N 1 2 376.429 0.517 10 0 GCAELO NS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000171902127 530843425 /nfs/dbraw/zinc/84/34/25/530843425.db2.gz DUNMLUNUJRAAQA-NSHDSACASA-N 1 2 376.429 0.517 10 0 GCAELO CN(CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)S(C)(=O)=O ZINC000110980272 530932377 /nfs/dbraw/zinc/93/23/77/530932377.db2.gz DAXXOORABHSSDC-GFCCVEGCSA-N 1 2 375.441 0.937 10 0 GCAELO CN(CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)S(C)(=O)=O ZINC000110980272 530932379 /nfs/dbraw/zinc/93/23/79/530932379.db2.gz DAXXOORABHSSDC-GFCCVEGCSA-N 1 2 375.441 0.937 10 0 GCAELO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000042146457 530928622 /nfs/dbraw/zinc/92/86/22/530928622.db2.gz ZSDGLFJJANIZQM-NSHDSACASA-N 1 2 385.262 0.644 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000245696278 530958042 /nfs/dbraw/zinc/95/80/42/530958042.db2.gz PUPGBINKENIICD-UONOGXRCSA-N 1 2 376.429 0.558 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000245696278 530958046 /nfs/dbraw/zinc/95/80/46/530958046.db2.gz PUPGBINKENIICD-UONOGXRCSA-N 1 2 376.429 0.558 10 0 GCAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1nc2ncc(Br)cn2n1 ZINC000127187632 530938401 /nfs/dbraw/zinc/93/84/01/530938401.db2.gz BPNLXLCRUSJPNK-NSHDSACASA-N 1 2 381.234 0.480 10 0 GCAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1nc2ncc(Br)cn2n1 ZINC000127187632 530938405 /nfs/dbraw/zinc/93/84/05/530938405.db2.gz BPNLXLCRUSJPNK-NSHDSACASA-N 1 2 381.234 0.480 10 0 GCAELO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1coc(Br)c1 ZINC000172323976 530970930 /nfs/dbraw/zinc/97/09/30/530970930.db2.gz UBAZMQUMJRFHHA-LBPRGKRZSA-N 1 2 386.246 0.705 10 0 GCAELO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCSC[C@H]1CCO ZINC000538187706 531031000 /nfs/dbraw/zinc/03/10/00/531031000.db2.gz LBAAGRDNYGIILF-ZBFHGGJFSA-N 1 2 375.560 0.704 10 0 GCAELO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC000368202511 531047293 /nfs/dbraw/zinc/04/72/93/531047293.db2.gz OYOLXUOTUBZOLO-RBSFLKMASA-N 1 2 375.535 0.829 10 0 GCAELO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC000368202511 531047295 /nfs/dbraw/zinc/04/72/95/531047295.db2.gz OYOLXUOTUBZOLO-RBSFLKMASA-N 1 2 375.535 0.829 10 0 GCAELO CNS(=O)(=O)c1csc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000673992043 531120707 /nfs/dbraw/zinc/12/07/07/531120707.db2.gz WZOFROSZPRABHZ-ZDUSSCGKSA-N 1 2 387.527 0.983 10 0 GCAELO C[N@H+](C[C@@H](O)CN1CCCC1=O)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245907648 531132233 /nfs/dbraw/zinc/13/22/33/531132233.db2.gz VBOZQUQKQBJXEU-UKRRQHHQSA-N 1 2 384.274 0.891 10 0 GCAELO C[N@@H+](C[C@@H](O)CN1CCCC1=O)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245907648 531132235 /nfs/dbraw/zinc/13/22/35/531132235.db2.gz VBOZQUQKQBJXEU-UKRRQHHQSA-N 1 2 384.274 0.891 10 0 GCAELO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCSC[C@@H]2CCO)c1C ZINC000438652425 531154865 /nfs/dbraw/zinc/15/48/65/531154865.db2.gz PEOLVXWQHLHKFA-ZDUSSCGKSA-N 1 2 387.527 0.689 10 0 GCAELO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCSC[C@@H]2CCO)c1C ZINC000438652425 531154869 /nfs/dbraw/zinc/15/48/69/531154869.db2.gz PEOLVXWQHLHKFA-ZDUSSCGKSA-N 1 2 387.527 0.689 10 0 GCAELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000681147146 531164043 /nfs/dbraw/zinc/16/40/43/531164043.db2.gz WTWKORSPVFADRQ-SNVBAGLBSA-N 1 2 396.289 0.732 10 0 GCAELO CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2nonc2C)C[N@@H+]1Cc1ccc(C)o1 ZINC000095512751 222342265 /nfs/dbraw/zinc/34/22/65/222342265.db2.gz BOMPBJDDIGZJJT-CJNGLKHVSA-N 1 2 375.429 0.717 10 0 GCAELO CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2nonc2C)C[N@H+]1Cc1ccc(C)o1 ZINC000095512751 222342266 /nfs/dbraw/zinc/34/22/66/222342266.db2.gz BOMPBJDDIGZJJT-CJNGLKHVSA-N 1 2 375.429 0.717 10 0 GCAELO CN(CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(Cl)cn1 ZINC000731650890 639770486 /nfs/dbraw/zinc/77/04/86/639770486.db2.gz PDONYJFKRHECDR-UHFFFAOYSA-N 1 2 388.921 0.796 10 0 GCAELO CON(C)C(=O)CC[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000799109469 641601206 /nfs/dbraw/zinc/60/12/06/641601206.db2.gz FSXOBLULTBAZQX-UHFFFAOYSA-N 1 2 376.523 0.523 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cnc1Br ZINC000190031028 642054538 /nfs/dbraw/zinc/05/45/38/642054538.db2.gz DWDZYHPKFNIVKC-NSHDSACASA-N 1 2 385.262 0.616 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cnc1Br ZINC000190031028 642054545 /nfs/dbraw/zinc/05/45/45/642054545.db2.gz DWDZYHPKFNIVKC-NSHDSACASA-N 1 2 385.262 0.616 10 0 GCAELO C/C(=C/C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1)C[NH+]1CCOCC1 ZINC000900438933 642087587 /nfs/dbraw/zinc/08/75/87/642087587.db2.gz JKILODFNMGOBRS-BAAYTWLHSA-N 1 2 385.555 0.742 10 0 GCAELO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[NH2+]C[C@@H]3C(F)F)cc2C1 ZINC000850587506 642684253 /nfs/dbraw/zinc/68/42/53/642684253.db2.gz BTTIKGUBWZGWGJ-LLVKDONJSA-N 1 2 379.454 0.880 10 0 GCAELO C[C@H](O)C1CCN(CCS(=O)(=O)CC[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000111288258 642795843 /nfs/dbraw/zinc/79/58/43/642795843.db2.gz HDSZHVQHAUFLEO-HOTGVXAUSA-N 1 2 376.563 0.587 10 0 GCAELO Cc1cc(N2CCN(C(=O)CN3CCN(C)C(=O)[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000186991437 1192298491 /nfs/dbraw/zinc/29/84/91/1192298491.db2.gz ZMOHDBFNSIFVMG-MRXNPFEDSA-N 1 2 388.516 0.720 10 0 GCAELO CCc1ccc(C[NH+]2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)CC2)s1 ZINC000128625395 1192317207 /nfs/dbraw/zinc/31/72/07/1192317207.db2.gz DQOCXEYZQFRIPG-UHFFFAOYSA-N 1 2 390.513 0.948 10 0 GCAELO CCc1ccc(C[NH+]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)CC2)s1 ZINC000128698650 1192335729 /nfs/dbraw/zinc/33/57/29/1192335729.db2.gz QBPUQQSKKVJREI-UHFFFAOYSA-N 1 2 376.482 0.515 10 0 GCAELO Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000408285199 1192371306 /nfs/dbraw/zinc/37/13/06/1192371306.db2.gz DDNCEVVSFKUOKH-UHFFFAOYSA-N 1 2 384.502 0.157 10 0 GCAELO Cn1cc(/C=C\C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(=O)n(C)c1=O ZINC000254957977 1184327684 /nfs/dbraw/zinc/32/76/84/1184327684.db2.gz GVVXZOISCGMVRD-YVMONPNESA-N 1 2 384.436 0.568 10 0 GCAELO C[C@@H]1CN(c2nc(N3CC(=O)N(C)[C@@H](C)C3)c3c([nH+]2)CCS3)CC(=O)N1C ZINC000286519111 1184724268 /nfs/dbraw/zinc/72/42/68/1184724268.db2.gz RLRGRKSPAVIJBC-NWDGAFQWSA-N 1 2 390.513 0.459 10 0 GCAELO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000683566549 1184779306 /nfs/dbraw/zinc/77/93/06/1184779306.db2.gz AIABNYXIRPNFJB-HUUCEWRRSA-N 1 2 377.470 0.776 10 0 GCAELO Cn1ccc(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000580221362 1185121509 /nfs/dbraw/zinc/12/15/09/1185121509.db2.gz HSSVBRYVNARGBR-UHFFFAOYSA-N 1 2 388.447 0.114 10 0 GCAELO Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000581184340 1185524114 /nfs/dbraw/zinc/52/41/14/1185524114.db2.gz KSNXVEASTPUGLT-SFHVURJKSA-N 1 2 376.482 0.877 10 0 GCAELO Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000581184340 1185524120 /nfs/dbraw/zinc/52/41/20/1185524120.db2.gz KSNXVEASTPUGLT-SFHVURJKSA-N 1 2 376.482 0.877 10 0 GCAELO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000581374586 1185624294 /nfs/dbraw/zinc/62/42/94/1185624294.db2.gz SGCSOKRJYOXALE-MGPUTAFESA-N 1 2 388.468 0.573 10 0 GCAELO CO[C@@H]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000472146000 1186389195 /nfs/dbraw/zinc/38/91/95/1186389195.db2.gz PHGRXDZTMXJZNT-HZPDHXFCSA-N 1 2 390.488 0.712 10 0 GCAELO CO[C@@H]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000472146000 1186389202 /nfs/dbraw/zinc/38/92/02/1186389202.db2.gz PHGRXDZTMXJZNT-HZPDHXFCSA-N 1 2 390.488 0.712 10 0 GCAELO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000119832353 1186539556 /nfs/dbraw/zinc/53/95/56/1186539556.db2.gz IQEIYQHOFUCIKK-HNNXBMFYSA-N 1 2 376.432 0.874 10 0 GCAELO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000119832353 1186539561 /nfs/dbraw/zinc/53/95/61/1186539561.db2.gz IQEIYQHOFUCIKK-HNNXBMFYSA-N 1 2 376.432 0.874 10 0 GCAELO COC[C@@H](NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)c1ccccc1 ZINC000582682093 1186606944 /nfs/dbraw/zinc/60/69/44/1186606944.db2.gz FUKBYQQAHMDTLV-DOTOQJQBSA-N 1 2 391.468 0.586 10 0 GCAELO COC[C@@H](NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)c1ccccc1 ZINC000582682093 1186606947 /nfs/dbraw/zinc/60/69/47/1186606947.db2.gz FUKBYQQAHMDTLV-DOTOQJQBSA-N 1 2 391.468 0.586 10 0 GCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000548784304 1186753675 /nfs/dbraw/zinc/75/36/75/1186753675.db2.gz DVCPTGNGSSTFOM-GJZGRUSLSA-N 1 2 388.534 0.211 10 0 GCAELO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000548784304 1186753678 /nfs/dbraw/zinc/75/36/78/1186753678.db2.gz DVCPTGNGSSTFOM-GJZGRUSLSA-N 1 2 388.534 0.211 10 0 GCAELO CC1(C)CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCS1(=O)=O ZINC000163005315 1186850770 /nfs/dbraw/zinc/85/07/70/1186850770.db2.gz QFUFMFKMYFJLRX-UHFFFAOYSA-N 1 2 380.514 0.629 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3nn(C)cc3C)cc2)CC1 ZINC000657863087 1187067495 /nfs/dbraw/zinc/06/74/95/1187067495.db2.gz FCAMPXXWVCCYIP-UHFFFAOYSA-N 1 2 398.467 0.970 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000685406690 1187123037 /nfs/dbraw/zinc/12/30/37/1187123037.db2.gz KZYNMCVXARWKED-JJTUDDRGSA-N 1 2 377.485 0.239 10 0 GCAELO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2C2CC2)[C@@H](C)C1 ZINC000785215754 1187310221 /nfs/dbraw/zinc/31/02/21/1187310221.db2.gz HUIVIENPLHUZSB-LBPRGKRZSA-N 1 2 377.445 0.332 10 0 GCAELO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2C2CC2)[C@@H](C)C1 ZINC000785215754 1187310225 /nfs/dbraw/zinc/31/02/25/1187310225.db2.gz HUIVIENPLHUZSB-LBPRGKRZSA-N 1 2 377.445 0.332 10 0 GCAELO NC(=O)C[C@@H]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000376616998 1188011145 /nfs/dbraw/zinc/01/11/45/1188011145.db2.gz CBASJBQHIMDWQD-KRWDZBQOSA-N 1 2 390.484 0.805 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)ccc21 ZINC000416652628 1189564725 /nfs/dbraw/zinc/56/47/25/1189564725.db2.gz BPNFVNMXLOAZCQ-ZIAGYGMSSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)ccc21 ZINC000416652628 1189564730 /nfs/dbraw/zinc/56/47/30/1189564730.db2.gz BPNFVNMXLOAZCQ-ZIAGYGMSSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CC[NH+](CCNC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000729315339 1193911404 /nfs/dbraw/zinc/91/14/04/1193911404.db2.gz APYSKNJJKAVGSQ-YVMONPNESA-N 1 2 394.497 0.352 10 0 GCAELO c1cn(C[C@@H]2CCN(c3cc(N4CC[C@H](Cn5ccnn5)C4)nc[nH+]3)C2)nn1 ZINC000664170059 1193934641 /nfs/dbraw/zinc/93/46/41/1193934641.db2.gz ZYTMEEFDFKJFLW-IYBDPMFKSA-N 1 2 380.460 0.713 10 0 GCAELO c1cn(C[C@@H]2CCN(c3cc(N4CC[C@H](Cn5ccnn5)C4)[nH+]cn3)C2)nn1 ZINC000664170059 1193934643 /nfs/dbraw/zinc/93/46/43/1193934643.db2.gz ZYTMEEFDFKJFLW-IYBDPMFKSA-N 1 2 380.460 0.713 10 0 GCAELO COC(=O)[C@H](N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000513452445 1193953464 /nfs/dbraw/zinc/95/34/64/1193953464.db2.gz MQZKBLRUHQMNBW-CRAIPNDOSA-N 1 2 375.473 0.823 10 0 GCAELO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1F ZINC000434784774 1194869582 /nfs/dbraw/zinc/86/95/82/1194869582.db2.gz MOTYYZIIZVAWNO-SFHVURJKSA-N 1 2 378.404 0.467 10 0 GCAELO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1F ZINC000434784774 1194869585 /nfs/dbraw/zinc/86/95/85/1194869585.db2.gz MOTYYZIIZVAWNO-SFHVURJKSA-N 1 2 378.404 0.467 10 0 GCAELO CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434794340 1194870182 /nfs/dbraw/zinc/87/01/82/1194870182.db2.gz MSEDCWWAWCGQDI-FQEVSTJZSA-N 1 2 388.468 0.902 10 0 GCAELO CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434794340 1194870183 /nfs/dbraw/zinc/87/01/83/1194870183.db2.gz MSEDCWWAWCGQDI-FQEVSTJZSA-N 1 2 388.468 0.902 10 0 GCAELO C[C@@H]1CCc2nc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)sc2C1 ZINC000435047684 1194884891 /nfs/dbraw/zinc/88/48/91/1194884891.db2.gz CCHPMQHNUVQGJJ-CHWSQXEVSA-N 1 2 396.513 0.358 10 0 GCAELO O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000516214084 1195034672 /nfs/dbraw/zinc/03/46/72/1195034672.db2.gz UCEBQLKPOZSONE-XDNAFOTISA-N 1 2 379.501 0.774 10 0 GCAELO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000438642518 1195233002 /nfs/dbraw/zinc/23/30/02/1195233002.db2.gz ACLLRTRQUHOAEB-CQSZACIVSA-N 1 2 381.498 0.858 10 0 GCAELO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000438642518 1195233006 /nfs/dbraw/zinc/23/30/06/1195233006.db2.gz ACLLRTRQUHOAEB-CQSZACIVSA-N 1 2 381.498 0.858 10 0 GCAELO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NCc1nnc2ccccn21 ZINC000550196110 1195458548 /nfs/dbraw/zinc/45/85/48/1195458548.db2.gz JXABVUWRMUNMER-UHFFFAOYSA-N 1 2 384.465 0.582 10 0 GCAELO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NCc1nnc2ccccn21 ZINC000550196110 1195458552 /nfs/dbraw/zinc/45/85/52/1195458552.db2.gz JXABVUWRMUNMER-UHFFFAOYSA-N 1 2 384.465 0.582 10 0 GCAELO Cc1ccccc1-c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n(C)n1 ZINC000190034163 1195755667 /nfs/dbraw/zinc/75/56/67/1195755667.db2.gz IXXSFYVXPUZGTR-HNNXBMFYSA-N 1 2 385.468 0.859 10 0 GCAELO Cc1ccccc1-c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)n(C)n1 ZINC000190034163 1195755671 /nfs/dbraw/zinc/75/56/71/1195755671.db2.gz IXXSFYVXPUZGTR-HNNXBMFYSA-N 1 2 385.468 0.859 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)CC[N@@H+]1CCO ZINC000190032226 1195755683 /nfs/dbraw/zinc/75/56/83/1195755683.db2.gz VIINETFLRDAKFG-ZDUSSCGKSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)CC[N@H+]1CCO ZINC000190032226 1195755686 /nfs/dbraw/zinc/75/56/86/1195755686.db2.gz VIINETFLRDAKFG-ZDUSSCGKSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)CC[N@@H+]1CCO ZINC000190032207 1195755762 /nfs/dbraw/zinc/75/57/62/1195755762.db2.gz VIINETFLRDAKFG-CYBMUJFWSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)CC[N@H+]1CCO ZINC000190032207 1195755767 /nfs/dbraw/zinc/75/57/67/1195755767.db2.gz VIINETFLRDAKFG-CYBMUJFWSA-N 1 2 391.859 0.989 10 0 GCAELO CCc1nc(C(C)(C)NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)no1 ZINC000441664029 1195813252 /nfs/dbraw/zinc/81/32/52/1195813252.db2.gz AMRYFOIOSOGUQL-UHFFFAOYSA-N 1 2 377.449 1.218 10 0 GCAELO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000441675275 1195815079 /nfs/dbraw/zinc/81/50/79/1195815079.db2.gz PMVHRNXCTMLDFE-UHFFFAOYSA-N 1 2 399.451 0.907 10 0 GCAELO CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC000185436149 1195846323 /nfs/dbraw/zinc/84/63/23/1195846323.db2.gz TXBMQGBCQRAJQZ-UHFFFAOYSA-N 1 2 382.530 0.741 10 0 GCAELO CNC(=O)[C@H]1CN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCO1 ZINC000190866066 1195881776 /nfs/dbraw/zinc/88/17/76/1195881776.db2.gz SERABXSSYVHONX-MRXNPFEDSA-N 1 2 380.876 0.855 10 0 GCAELO CNC(=O)[C@H]1CN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCO1 ZINC000190866066 1195881779 /nfs/dbraw/zinc/88/17/79/1195881779.db2.gz SERABXSSYVHONX-MRXNPFEDSA-N 1 2 380.876 0.855 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC(CCO)C3)cc2)CC1 ZINC000442034043 1195945879 /nfs/dbraw/zinc/94/58/79/1195945879.db2.gz QEGJRKCKNYOMDU-UHFFFAOYSA-N 1 2 388.468 0.130 10 0 GCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442054895 1195947233 /nfs/dbraw/zinc/94/72/33/1195947233.db2.gz SXFLTWXDOSQNPC-AWEZNQCLSA-N 1 2 394.497 0.492 10 0 GCAELO C[C@@]1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCC(=O)NC1 ZINC000281100155 1196277099 /nfs/dbraw/zinc/27/70/99/1196277099.db2.gz AINJDHUMLKWASL-OXQOHEQNSA-N 1 2 375.469 0.487 10 0 GCAELO O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000282007819 1196472385 /nfs/dbraw/zinc/47/23/85/1196472385.db2.gz WOHRZIADGSKGGG-GDBMZVCRSA-N 1 2 375.473 0.911 10 0 GCAELO O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000282007819 1196472388 /nfs/dbraw/zinc/47/23/88/1196472388.db2.gz WOHRZIADGSKGGG-GDBMZVCRSA-N 1 2 375.473 0.911 10 0 GCAELO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000445062569 1196539993 /nfs/dbraw/zinc/53/99/93/1196539993.db2.gz WMTNVHFGZWSABB-UHFFFAOYSA-N 1 2 399.495 0.600 10 0 GCAELO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000527249595 1196774572 /nfs/dbraw/zinc/77/45/72/1196774572.db2.gz ZBCSSPHLOLEAMM-UHFFFAOYSA-N 1 2 391.497 0.610 10 0 GCAELO CCOC(=O)[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC12COC2 ZINC000449356977 1196870863 /nfs/dbraw/zinc/87/08/63/1196870863.db2.gz DCIRDDXUGUCHLS-MRXNPFEDSA-N 1 2 375.473 0.240 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)CC12COC2 ZINC000449356977 1196870868 /nfs/dbraw/zinc/87/08/68/1196870868.db2.gz DCIRDDXUGUCHLS-MRXNPFEDSA-N 1 2 375.473 0.240 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)CC12COC2 ZINC000449356977 1196870875 /nfs/dbraw/zinc/87/08/75/1196870875.db2.gz DCIRDDXUGUCHLS-MRXNPFEDSA-N 1 2 375.473 0.240 10 0 GCAELO COc1cc2c(cc1OC)CN(CC(=O)NCC[N@@H+]1CCOC[C@H]1C)CC2 ZINC000449845454 1196901327 /nfs/dbraw/zinc/90/13/27/1196901327.db2.gz PPFJWODDDXUXMH-OAHLLOKOSA-N 1 2 377.485 0.899 10 0 GCAELO COc1cc2c(cc1OC)CN(CC(=O)NCC[N@H+]1CCOC[C@H]1C)CC2 ZINC000449845454 1196901331 /nfs/dbraw/zinc/90/13/31/1196901331.db2.gz PPFJWODDDXUXMH-OAHLLOKOSA-N 1 2 377.485 0.899 10 0 GCAELO CCOC(=O)[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC12COC2 ZINC000450569584 1196940494 /nfs/dbraw/zinc/94/04/94/1196940494.db2.gz OFMJJOBGRPNSDQ-CABCVRRESA-N 1 2 376.457 0.701 10 0 GCAELO C/C=C/C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OCC ZINC000450914014 1196961025 /nfs/dbraw/zinc/96/10/25/1196961025.db2.gz NBXLUHSJFDSEIW-TVKHYIBRSA-N 1 2 381.473 0.181 10 0 GCAELO C/C=C/C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OCC ZINC000450914012 1196961182 /nfs/dbraw/zinc/96/11/82/1196961182.db2.gz NBXLUHSJFDSEIW-CFSAUIFESA-N 1 2 381.473 0.181 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1)C2 ZINC000530287382 1196975402 /nfs/dbraw/zinc/97/54/02/1196975402.db2.gz VPAPKBSNJUZZEG-STQMWFEESA-N 1 2 396.513 0.400 10 0 GCAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1)CC2 ZINC000530287382 1196975405 /nfs/dbraw/zinc/97/54/05/1196975405.db2.gz VPAPKBSNJUZZEG-STQMWFEESA-N 1 2 396.513 0.400 10 0 GCAELO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000530682875 1197005499 /nfs/dbraw/zinc/00/54/99/1197005499.db2.gz DKEZACMHNSOUCL-UHFFFAOYSA-N 1 2 376.457 0.252 10 0 GCAELO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC12CCC2 ZINC000531202317 1197053070 /nfs/dbraw/zinc/05/30/70/1197053070.db2.gz CFENGMHZYRSWFR-UHFFFAOYSA-N 1 2 393.513 0.871 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCO[C@@H](c3ccccc3)C1)c(=O)n2C ZINC000025949251 1197089317 /nfs/dbraw/zinc/08/93/17/1197089317.db2.gz OQGLQSLOQDWWSD-MRXNPFEDSA-N 1 2 383.452 0.897 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCO[C@@H](c3ccccc3)C1)c(=O)n2C ZINC000025949251 1197089320 /nfs/dbraw/zinc/08/93/20/1197089320.db2.gz OQGLQSLOQDWWSD-MRXNPFEDSA-N 1 2 383.452 0.897 10 0 GCAELO CCc1cnc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000173036428 1197175642 /nfs/dbraw/zinc/17/56/42/1197175642.db2.gz BGOOOTNBFKGBGY-CQSZACIVSA-N 1 2 380.514 0.545 10 0 GCAELO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000174009571 1197180328 /nfs/dbraw/zinc/18/03/28/1197180328.db2.gz AALKAJGXIAOQIT-WMLDXEAASA-N 1 2 391.516 0.265 10 0 GCAELO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000174009597 1197180690 /nfs/dbraw/zinc/18/06/90/1197180690.db2.gz AALKAJGXIAOQIT-YOEHRIQHSA-N 1 2 391.516 0.265 10 0 GCAELO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000475730806 1197194454 /nfs/dbraw/zinc/19/44/54/1197194454.db2.gz AQOJLSWSCWZUFZ-QGZVFWFLSA-N 1 2 390.509 0.907 10 0 GCAELO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000475730806 1197194455 /nfs/dbraw/zinc/19/44/55/1197194455.db2.gz AQOJLSWSCWZUFZ-QGZVFWFLSA-N 1 2 390.509 0.907 10 0 GCAELO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000116889735 1197338025 /nfs/dbraw/zinc/33/80/25/1197338025.db2.gz XZYDZKWYYIQCTL-ZDUSSCGKSA-N 1 2 376.482 0.676 10 0 GCAELO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000116889735 1197338030 /nfs/dbraw/zinc/33/80/30/1197338030.db2.gz XZYDZKWYYIQCTL-ZDUSSCGKSA-N 1 2 376.482 0.676 10 0 GCAELO O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000124151702 1197352337 /nfs/dbraw/zinc/35/23/37/1197352337.db2.gz OVDJSFMBGSILHG-GOSISDBHSA-N 1 2 376.482 0.654 10 0 GCAELO CC(C)Cn1ccnc1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000131475239 1197377037 /nfs/dbraw/zinc/37/70/37/1197377037.db2.gz TZUALKWLWHNRBI-INIZCTEOSA-N 1 2 377.489 0.336 10 0 GCAELO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000532995234 1197425281 /nfs/dbraw/zinc/42/52/81/1197425281.db2.gz DQAVITFMWFXKIA-CYBMUJFWSA-N 1 2 385.415 0.848 10 0 GCAELO O=C(NCc1cnn(-c2ccccc2)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069255819 1197468630 /nfs/dbraw/zinc/46/86/30/1197468630.db2.gz LMLRIPFCAQQDQP-SFHVURJKSA-N 1 2 397.479 0.669 10 0 GCAELO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000246985129 1197474424 /nfs/dbraw/zinc/47/44/24/1197474424.db2.gz HKQXNSZRGBBPRJ-NUJGCVRESA-N 1 2 379.526 0.885 10 0 GCAELO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000246985129 1197474425 /nfs/dbraw/zinc/47/44/25/1197474425.db2.gz HKQXNSZRGBBPRJ-NUJGCVRESA-N 1 2 379.526 0.885 10 0 GCAELO Cc1nsc(N2CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n1 ZINC000247645751 1197476959 /nfs/dbraw/zinc/47/69/59/1197476959.db2.gz UJRDWMTUTKIRJD-GFCCVEGCSA-N 1 2 380.518 0.484 10 0 GCAELO Cc1nsc(N2CCC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n1 ZINC000247645751 1197476962 /nfs/dbraw/zinc/47/69/62/1197476962.db2.gz UJRDWMTUTKIRJD-GFCCVEGCSA-N 1 2 380.518 0.484 10 0 GCAELO CN(C)C(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cn1C ZINC000261623239 1197510949 /nfs/dbraw/zinc/51/09/49/1197510949.db2.gz CDIYKBZZIOIKJV-MRXNPFEDSA-N 1 2 377.470 0.457 10 0 GCAELO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000261739349 1197513103 /nfs/dbraw/zinc/51/31/03/1197513103.db2.gz PBBCBBGJLCZTBJ-HNNXBMFYSA-N 1 2 378.454 0.468 10 0 GCAELO Cn1c2ccc(S(=O)(=O)N3CC[NH2+]C[C@@H]3c3cccnc3)cc2n(C)c1=O ZINC000261822553 1197515937 /nfs/dbraw/zinc/51/59/37/1197515937.db2.gz NOKVQJZYKXIHAY-QGZVFWFLSA-N 1 2 387.465 0.607 10 0 GCAELO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000262048363 1197523799 /nfs/dbraw/zinc/52/37/99/1197523799.db2.gz PZSBAAVVEVPEDF-CQSZACIVSA-N 1 2 378.454 0.850 10 0 GCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000269255939 1199111783 /nfs/dbraw/zinc/11/17/83/1199111783.db2.gz GDKNKMXXSOJPJX-CYBMUJFWSA-N 1 2 383.474 0.382 10 0 GCAELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000672530616 1199259532 /nfs/dbraw/zinc/25/95/32/1199259532.db2.gz QCWRCWFWDTWHAK-GDBMZVCRSA-N 1 2 381.436 0.658 10 0 GCAELO CNS(=O)(=O)c1cccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000672637029 1199289284 /nfs/dbraw/zinc/28/92/84/1199289284.db2.gz QFYQCXUKPKWDLV-ZFWWWQNUSA-N 1 2 382.486 0.922 10 0 GCAELO NC(=O)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000672706049 1199320399 /nfs/dbraw/zinc/32/03/99/1199320399.db2.gz AHBGNBNYPNBEFZ-HNNXBMFYSA-N 1 2 387.484 0.996 10 0 GCAELO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000672763628 1199329589 /nfs/dbraw/zinc/32/95/89/1199329589.db2.gz AYCMTNGCNXBLCF-HNNXBMFYSA-N 1 2 385.468 0.819 10 0 GCAELO O=S(=O)(N1CCOCC1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000129756461 1199335687 /nfs/dbraw/zinc/33/56/87/1199335687.db2.gz PEDDSZYCSIPHEL-UHFFFAOYSA-N 1 2 391.497 0.771 10 0 GCAELO CN(Cc1nnnn1C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000466287814 1199604979 /nfs/dbraw/zinc/60/49/79/1199604979.db2.gz LFXUKBREADCSHZ-UHFFFAOYSA-N 1 2 389.460 0.263 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000673481394 1199702322 /nfs/dbraw/zinc/70/23/22/1199702322.db2.gz MPCHQLKOCKFBOV-ZACQAIPSSA-N 1 2 379.501 0.774 10 0 GCAELO Cc1cc(N2CCN(C(=O)CN3CCCC[C@H]3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000154892153 1199837340 /nfs/dbraw/zinc/83/73/40/1199837340.db2.gz VXQFMWTYCJZVIA-INIZCTEOSA-N 1 2 388.516 0.897 10 0 GCAELO O=C(NCCCN1CCCS1(=O)=O)c1ccccc1C[NH+]1CCOCC1 ZINC000673657232 1199920801 /nfs/dbraw/zinc/92/08/01/1199920801.db2.gz YPYMJEFUBGYWFW-UHFFFAOYSA-N 1 2 381.498 0.674 10 0 GCAELO Cc1cccn2cc(CCNC(=O)NCCCN3CCCS3(=O)=O)[nH+]c12 ZINC000673773759 1199938282 /nfs/dbraw/zinc/93/82/82/1199938282.db2.gz VUTMDRCPXFDQJV-UHFFFAOYSA-N 1 2 379.486 0.910 10 0 GCAELO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673785017 1199941311 /nfs/dbraw/zinc/94/13/11/1199941311.db2.gz MSTFGDLBFIAFSF-SFHVURJKSA-N 1 2 388.468 0.931 10 0 GCAELO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675623713 1200446487 /nfs/dbraw/zinc/44/64/87/1200446487.db2.gz VOLMODROTMJOPU-LLVKDONJSA-N 1 2 387.421 0.739 10 0 GCAELO CC(C)(C)n1cnc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000542345254 1200681016 /nfs/dbraw/zinc/68/10/16/1200681016.db2.gz GCFCNEHYPIYBBW-UONOGXRCSA-N 1 2 378.477 0.731 10 0 GCAELO C[C@@H](c1cccc(NC(=O)C(=O)N(C)Cc2nnnn2C)c1)[NH+]1CCOCC1 ZINC000466675904 1200842919 /nfs/dbraw/zinc/84/29/19/1200842919.db2.gz CTFBCWZGNVMMAA-ZDUSSCGKSA-N 1 2 387.444 0.200 10 0 GCAELO C/C(=C/C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000820540603 1201514307 /nfs/dbraw/zinc/51/43/07/1201514307.db2.gz RJTUYKIWANCVDO-SDXDJHTJSA-N 1 2 378.517 0.422 10 0 GCAELO CCCCS(=O)(=O)N1CCC(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC1 ZINC000822877756 1201585068 /nfs/dbraw/zinc/58/50/68/1201585068.db2.gz YPPXOZXCOZTHAD-INIZCTEOSA-N 1 2 383.518 0.725 10 0 GCAELO CC[S@](=O)CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000735095677 1201676405 /nfs/dbraw/zinc/67/64/05/1201676405.db2.gz IUSWYXBVOKAGFS-SANMLTNESA-N 1 2 383.514 0.965 10 0 GCAELO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cn2c3ccccc3n(C)c2=O)CC1 ZINC000738169845 1201735594 /nfs/dbraw/zinc/73/55/94/1201735594.db2.gz MLOFXGPSJZRSGV-INIZCTEOSA-N 1 2 389.500 0.456 10 0 GCAELO O=C(CCC(=O)N1CCOc2ccccc21)N1CC[NH+](CCn2cncn2)CC1 ZINC000740739056 1201749330 /nfs/dbraw/zinc/74/93/30/1201749330.db2.gz TZABSXKPEJDEOR-UHFFFAOYSA-N 1 2 398.467 0.628 10 0 GCAELO COc1ccc(C[NH+]2CCN(C(=O)CN3CCOC[C@@H]3CCO)CC2)cc1 ZINC000767589389 1201978279 /nfs/dbraw/zinc/97/82/79/1201978279.db2.gz BXUQCZVXVZOIBF-SFHVURJKSA-N 1 2 377.485 0.423 10 0 GCAELO COCCCS(=O)(=O)N1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000770250386 1202092109 /nfs/dbraw/zinc/09/21/09/1202092109.db2.gz HDJLNENGDWYRPW-UHFFFAOYSA-N 1 2 381.458 0.850 10 0 GCAELO CC(=O)c1ccc(N2CC[NH+](CCC(=O)N(C)C)CC2)c(S(N)(=O)=O)c1 ZINC000804554474 1205517540 /nfs/dbraw/zinc/51/75/40/1205517540.db2.gz XVXOKPLGMMIXHS-UHFFFAOYSA-N 1 2 382.486 0.137 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000805616702 1205541444 /nfs/dbraw/zinc/54/14/44/1205541444.db2.gz JNWZRRNNJDEHPC-MHZLTWQESA-N 1 2 395.525 0.614 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000805616702 1205541446 /nfs/dbraw/zinc/54/14/46/1205541446.db2.gz JNWZRRNNJDEHPC-MHZLTWQESA-N 1 2 395.525 0.614 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000805622691 1205541573 /nfs/dbraw/zinc/54/15/73/1205541573.db2.gz ZJRMKWUITYHHFH-DBFUXIHBSA-N 1 2 379.526 0.993 10 0 GCAELO CC[S@](=O)CCNC(=O)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000805622691 1205541575 /nfs/dbraw/zinc/54/15/75/1205541575.db2.gz ZJRMKWUITYHHFH-DBFUXIHBSA-N 1 2 379.526 0.993 10 0 GCAELO CC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000747375403 1205577008 /nfs/dbraw/zinc/57/70/08/1205577008.db2.gz MXSUPGAHYPTHSH-MRXNPFEDSA-N 1 2 376.482 0.934 10 0 GCAELO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000057593496 530195755 /nfs/dbraw/zinc/19/57/55/530195755.db2.gz CIFAJWVNKKPOBT-UHFFFAOYSA-N 1 2 378.483 0.931 10 0 GCAELO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000298839764 530309105 /nfs/dbraw/zinc/30/91/05/530309105.db2.gz GZQBJBYNKPWCEB-CQSZACIVSA-N 1 2 387.527 0.796 10 0 GCAELO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000298839764 530309107 /nfs/dbraw/zinc/30/91/07/530309107.db2.gz GZQBJBYNKPWCEB-CQSZACIVSA-N 1 2 387.527 0.796 10 0 GCAELO O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000299391137 530310218 /nfs/dbraw/zinc/31/02/18/530310218.db2.gz YNEIYFKXMVXZGC-UHFFFAOYSA-N 1 2 385.511 0.689 10 0 GCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1C ZINC000154138260 530317625 /nfs/dbraw/zinc/31/76/25/530317625.db2.gz FPZHCNOYJVEHRG-LLVKDONJSA-N 1 2 385.262 0.962 10 0 GCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1C ZINC000154138260 530317626 /nfs/dbraw/zinc/31/76/26/530317626.db2.gz FPZHCNOYJVEHRG-LLVKDONJSA-N 1 2 385.262 0.962 10 0 GCAELO C[N@@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000332756471 530329248 /nfs/dbraw/zinc/32/92/48/530329248.db2.gz LRKRKHSRCJCEDQ-NVXWUHKLSA-N 1 2 385.917 0.932 10 0 GCAELO C[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000332756471 530329249 /nfs/dbraw/zinc/32/92/49/530329249.db2.gz LRKRKHSRCJCEDQ-NVXWUHKLSA-N 1 2 385.917 0.932 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000180257138 530369261 /nfs/dbraw/zinc/36/92/61/530369261.db2.gz OFCCWYOXHUBDNZ-YPMHNXCESA-N 1 2 397.273 0.962 10 0 GCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000178632257 530364390 /nfs/dbraw/zinc/36/43/90/530364390.db2.gz FFXVFCLQCBJRSJ-GFCCVEGCSA-N 1 2 377.388 0.710 10 0 GCAELO NS(=O)(=O)c1cc(F)c(N2CC[NH+](CCCO)CC2)c(Br)c1 ZINC000460419920 530353235 /nfs/dbraw/zinc/35/32/35/530353235.db2.gz MPNGAPPNGLWQLF-UHFFFAOYSA-N 1 2 396.282 0.740 10 0 GCAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(Br)ncc1Cl ZINC000187277727 530380560 /nfs/dbraw/zinc/38/05/60/530380560.db2.gz NEHYWYUMARAEAM-VIFPVBQESA-N 1 2 378.654 0.920 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000187694548 530381423 /nfs/dbraw/zinc/38/14/23/530381423.db2.gz QHWJCLAEUGEOCB-ZIAGYGMSSA-N 1 2 376.429 0.558 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000187694548 530381424 /nfs/dbraw/zinc/38/14/24/530381424.db2.gz QHWJCLAEUGEOCB-ZIAGYGMSSA-N 1 2 376.429 0.558 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C[C@H]21 ZINC000284122383 530383848 /nfs/dbraw/zinc/38/38/48/530383848.db2.gz OTFIMADZQRTVRP-MNOVXSKESA-N 1 2 381.234 0.432 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C[C@H]21 ZINC000284122383 530383851 /nfs/dbraw/zinc/38/38/51/530383851.db2.gz OTFIMADZQRTVRP-MNOVXSKESA-N 1 2 381.234 0.432 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@H]21 ZINC000284200091 530384043 /nfs/dbraw/zinc/38/40/43/530384043.db2.gz TWYHKGGUBSQVNQ-MNOVXSKESA-N 1 2 386.246 0.703 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@H]21 ZINC000284200091 530384044 /nfs/dbraw/zinc/38/40/44/530384044.db2.gz TWYHKGGUBSQVNQ-MNOVXSKESA-N 1 2 386.246 0.703 10 0 GCAELO Cc1nc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)ccc1Br ZINC000192919889 530392001 /nfs/dbraw/zinc/39/20/01/530392001.db2.gz VMOJZEXLKZPFNJ-SNVBAGLBSA-N 1 2 385.262 0.928 10 0 GCAELO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531431809 530458000 /nfs/dbraw/zinc/45/80/00/530458000.db2.gz NSFBPQQSWUMEBS-UHFFFAOYSA-N 1 2 386.499 0.290 10 0 GCAELO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249585055 530528864 /nfs/dbraw/zinc/52/88/64/530528864.db2.gz SQZSSMSYXOQJRG-BVUBDWEXSA-N 1 2 386.539 0.790 10 0 GCAELO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249585055 530528865 /nfs/dbraw/zinc/52/88/65/530528865.db2.gz SQZSSMSYXOQJRG-BVUBDWEXSA-N 1 2 386.539 0.790 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000330178654 530628464 /nfs/dbraw/zinc/62/84/64/530628464.db2.gz DWJZRCTWMVOIRC-BFYDXBDKSA-N 1 2 375.535 0.494 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000330178654 530628468 /nfs/dbraw/zinc/62/84/68/530628468.db2.gz DWJZRCTWMVOIRC-BFYDXBDKSA-N 1 2 375.535 0.494 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330180044 530628667 /nfs/dbraw/zinc/62/86/67/530628667.db2.gz FRRUSRVAEFWKLF-ZMSDIMECSA-N 1 2 375.535 0.494 10 0 GCAELO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330180044 530628670 /nfs/dbraw/zinc/62/86/70/530628670.db2.gz FRRUSRVAEFWKLF-ZMSDIMECSA-N 1 2 375.535 0.494 10 0 GCAELO CCS(=O)(=O)N1CC(CNc2[nH+]cnc3c2c(Br)nn3C)C1 ZINC000302589397 530681847 /nfs/dbraw/zinc/68/18/47/530681847.db2.gz VYUMUFJNPHIANM-UHFFFAOYSA-N 1 2 389.279 0.819 10 0 GCAELO CNS(=O)(=O)CCC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000104096240 530667930 /nfs/dbraw/zinc/66/79/30/530667930.db2.gz JCVYPQXFUPDHEI-UHFFFAOYSA-N 1 2 388.921 0.835 10 0 GCAELO COc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178956870 530852098 /nfs/dbraw/zinc/85/20/98/530852098.db2.gz KNHYVZOCKYWFQN-LBPRGKRZSA-N 1 2 397.273 0.512 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1[NH+]1CCOCC1 ZINC000180251880 530853722 /nfs/dbraw/zinc/85/37/22/530853722.db2.gz UGQAWHPUWCYPMR-WCQYABFASA-N 1 2 397.273 0.962 10 0 GCAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000104798029 530930814 /nfs/dbraw/zinc/93/08/14/530930814.db2.gz NMCPJOVSZMBHOU-AWEZNQCLSA-N 1 2 399.289 0.809 10 0 GCAELO C[N@H+]1CCO[C@@H](CNC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000104798029 530930817 /nfs/dbraw/zinc/93/08/17/530930817.db2.gz NMCPJOVSZMBHOU-AWEZNQCLSA-N 1 2 399.289 0.809 10 0 GCAELO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000261940755 530991272 /nfs/dbraw/zinc/99/12/72/530991272.db2.gz DPOLDJXZBRYQOM-GFCCVEGCSA-N 1 2 384.483 0.159 10 0 GCAELO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261783534 530990158 /nfs/dbraw/zinc/99/01/58/530990158.db2.gz UENKCGYSDSVOST-OAHLLOKOSA-N 1 2 382.467 0.064 10 0 GCAELO C[NH+](C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccnc2)cc1 ZINC000538454274 531032872 /nfs/dbraw/zinc/03/28/72/531032872.db2.gz UYKKDUFZRSTCBF-UHFFFAOYSA-N 1 2 384.483 0.722 10 0 GCAELO C[C@H](C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)CS(C)(=O)=O ZINC000119151850 531042737 /nfs/dbraw/zinc/04/27/37/531042737.db2.gz NKQBRRFXUWXOPD-LLVKDONJSA-N 1 2 394.481 0.955 10 0 GCAELO C[N@H+](C[C@@H](O)CN1CCCC1=O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000121511871 531048618 /nfs/dbraw/zinc/04/86/18/531048618.db2.gz VBOZQUQKQBJXEU-HIFRSBDPSA-N 1 2 384.274 0.891 10 0 GCAELO C[N@@H+](C[C@@H](O)CN1CCCC1=O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000121511871 531048619 /nfs/dbraw/zinc/04/86/19/531048619.db2.gz VBOZQUQKQBJXEU-HIFRSBDPSA-N 1 2 384.274 0.891 10 0 GCAELO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CC[NH+](CCCO)CC1 ZINC000544664110 531081113 /nfs/dbraw/zinc/08/11/13/531081113.db2.gz BONKJXMHEXRHGQ-UHFFFAOYSA-N 1 2 383.392 0.711 10 0 GCAELO CC1=CC[N@H+](CCNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000545150543 531083333 /nfs/dbraw/zinc/08/33/33/531083333.db2.gz HDDUJAZKDQTLHW-CQSZACIVSA-N 1 2 387.527 0.834 10 0 GCAELO CC1=CC[N@@H+](CCNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000545150543 531083336 /nfs/dbraw/zinc/08/33/36/531083336.db2.gz HDDUJAZKDQTLHW-CQSZACIVSA-N 1 2 387.527 0.834 10 0 GCAELO Cc1ncc(C[NH+]2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)s1 ZINC000264669157 531195450 /nfs/dbraw/zinc/19/54/50/531195450.db2.gz GEBWTCDHBQBANW-UHFFFAOYSA-N 1 2 387.531 0.011 10 0 GCAELO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000264739906 531198316 /nfs/dbraw/zinc/19/83/16/531198316.db2.gz KHDXXQAPUMHKTP-LLVKDONJSA-N 1 2 375.878 0.635 10 0 GCAELO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000264739906 531198318 /nfs/dbraw/zinc/19/83/18/531198318.db2.gz KHDXXQAPUMHKTP-LLVKDONJSA-N 1 2 375.878 0.635 10 0 GCAELO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NC(C)(C)CO)c(C)c1C ZINC000055576065 207744520 /nfs/dbraw/zinc/74/45/20/207744520.db2.gz OQMFYBHCSVWEAB-MRXNPFEDSA-N 1 2 377.485 0.890 10 0 GCAELO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NC(C)(C)CO)c(C)c1C ZINC000055576065 207744524 /nfs/dbraw/zinc/74/45/24/207744524.db2.gz OQMFYBHCSVWEAB-MRXNPFEDSA-N 1 2 377.485 0.890 10 0 GCAELO COc1cc2c(cc1OC)CN(C(=O)Cn1nnnc1C[NH+]1CCCC1)CC2 ZINC000012209969 221168428 /nfs/dbraw/zinc/16/84/28/221168428.db2.gz AQXWJYDOLMCWLG-UHFFFAOYSA-N 1 2 386.456 0.871 10 0 GCAELO CC(C)S(=O)(=O)N1CCC(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000332758722 570699851 /nfs/dbraw/zinc/69/98/51/570699851.db2.gz OGIVZZOABVZEPJ-JKSUJKDBSA-N 1 2 388.534 0.304 10 0 GCAELO CC(C)S(=O)(=O)N1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000332758722 570699856 /nfs/dbraw/zinc/69/98/56/570699856.db2.gz OGIVZZOABVZEPJ-JKSUJKDBSA-N 1 2 388.534 0.304 10 0 GCAELO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)o1 ZINC000796252480 641540778 /nfs/dbraw/zinc/54/07/78/641540778.db2.gz BUEFHGNZKNHAJN-UHFFFAOYSA-N 1 2 379.504 0.291 10 0 GCAELO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(Br)n1 ZINC000187539122 642047954 /nfs/dbraw/zinc/04/79/54/642047954.db2.gz YWMFXQKZSUOELT-LLVKDONJSA-N 1 2 385.262 0.616 10 0 GCAELO Cn1c2c(nc(Br)n2Cc2c[nH+]c3ccccn23)c(=O)n(C)c1=O ZINC000155901899 642050169 /nfs/dbraw/zinc/05/01/69/642050169.db2.gz YKAZORMKKMKRJG-UHFFFAOYSA-N 1 2 389.213 0.892 10 0 GCAELO CC(=O)[C@@](C)(O)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852532579 642767017 /nfs/dbraw/zinc/76/70/17/642767017.db2.gz MWHHQJORXBXKIE-LBPRGKRZSA-N 1 2 378.214 0.860 10 0 GCAELO C[C@@H](O)C1CCN(CCS(=O)(=O)CC[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000111288256 642795363 /nfs/dbraw/zinc/79/53/63/642795363.db2.gz HDSZHVQHAUFLEO-HZPDHXFCSA-N 1 2 376.563 0.587 10 0 GCAELO COC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)CC1 ZINC000585791069 1192412686 /nfs/dbraw/zinc/41/26/86/1192412686.db2.gz IZRUCVUYYCZXTL-HOTGVXAUSA-N 1 2 381.473 0.110 10 0 GCAELO COC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)CC1 ZINC000585791069 1192412695 /nfs/dbraw/zinc/41/26/95/1192412695.db2.gz IZRUCVUYYCZXTL-HOTGVXAUSA-N 1 2 381.473 0.110 10 0 GCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000547775846 1184546984 /nfs/dbraw/zinc/54/69/84/1184546984.db2.gz FGQKLAPQZJHGHR-OAHLLOKOSA-N 1 2 377.445 0.331 10 0 GCAELO C[C@H]1CN(c2nc(N3CC(=O)N(C)[C@@H](C)C3)c3c([nH+]2)CCS3)CC(=O)N1C ZINC000286519114 1184724109 /nfs/dbraw/zinc/72/41/09/1184724109.db2.gz RLRGRKSPAVIJBC-RYUDHWBXSA-N 1 2 390.513 0.459 10 0 GCAELO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000548054840 1185032848 /nfs/dbraw/zinc/03/28/48/1185032848.db2.gz GFVOQNJIEXCGRA-OAHLLOKOSA-N 1 2 375.433 1.434 10 0 GCAELO COc1c(C)cc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000091811725 1185659864 /nfs/dbraw/zinc/65/98/64/1185659864.db2.gz RSQDJIUNURJRJU-UHFFFAOYSA-N 1 2 396.557 0.922 10 0 GCAELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 ZINC000276198362 1185677133 /nfs/dbraw/zinc/67/71/33/1185677133.db2.gz JDDXXUMKQFIURA-QGZVFWFLSA-N 1 2 387.484 0.201 10 0 GCAELO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 ZINC000276198362 1185677137 /nfs/dbraw/zinc/67/71/37/1185677137.db2.gz JDDXXUMKQFIURA-QGZVFWFLSA-N 1 2 387.484 0.201 10 0 GCAELO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000548414304 1186080611 /nfs/dbraw/zinc/08/06/11/1186080611.db2.gz HDGHVVCPJXHNHN-UHFFFAOYSA-N 1 2 388.453 0.971 10 0 GCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000151358798 1186286850 /nfs/dbraw/zinc/28/68/50/1186286850.db2.gz NWYDMIHQKJAUOI-GJZGRUSLSA-N 1 2 398.454 0.878 10 0 GCAELO CO[C@@H]1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000472101055 1186352032 /nfs/dbraw/zinc/35/20/32/1186352032.db2.gz AAXCZSFVGIPECJ-JKSUJKDBSA-N 1 2 375.473 0.987 10 0 GCAELO Cc1cnc(CC[N@@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)s1 ZINC000157385526 1186359928 /nfs/dbraw/zinc/35/99/28/1186359928.db2.gz GDOJPFASFJXKSQ-UHFFFAOYSA-N 1 2 379.486 0.897 10 0 GCAELO Cc1cnc(CC[N@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)s1 ZINC000157385526 1186359936 /nfs/dbraw/zinc/35/99/36/1186359936.db2.gz GDOJPFASFJXKSQ-UHFFFAOYSA-N 1 2 379.486 0.897 10 0 GCAELO COCCN1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000559884954 1186502688 /nfs/dbraw/zinc/50/26/88/1186502688.db2.gz CECWRGPRCYTOHS-UHFFFAOYSA-N 1 2 385.468 0.338 10 0 GCAELO COC[C@H](NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)c1ccccc1 ZINC000582682096 1186607308 /nfs/dbraw/zinc/60/73/08/1186607308.db2.gz FUKBYQQAHMDTLV-WBVHZDCISA-N 1 2 391.468 0.586 10 0 GCAELO COC[C@H](NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)c1ccccc1 ZINC000582682096 1186607311 /nfs/dbraw/zinc/60/73/11/1186607311.db2.gz FUKBYQQAHMDTLV-WBVHZDCISA-N 1 2 391.468 0.586 10 0 GCAELO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458437538 1186800252 /nfs/dbraw/zinc/80/02/52/1186800252.db2.gz PRLAVALTBDBFHX-HDICACEKSA-N 1 2 393.532 0.093 10 0 GCAELO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458437538 1186800256 /nfs/dbraw/zinc/80/02/56/1186800256.db2.gz PRLAVALTBDBFHX-HDICACEKSA-N 1 2 393.532 0.093 10 0 GCAELO CCc1n[nH]cc1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000785168463 1186917559 /nfs/dbraw/zinc/91/75/59/1186917559.db2.gz FXYKGLUFYWFSBI-UHFFFAOYSA-N 1 2 398.427 0.154 10 0 GCAELO O=C(Nc1cc(C2CC2)nn1-c1ncccn1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000133890071 1187000399 /nfs/dbraw/zinc/00/03/99/1187000399.db2.gz UXCVVBKXNWONFA-UHFFFAOYSA-N 1 2 381.440 0.785 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000685408072 1187124821 /nfs/dbraw/zinc/12/48/21/1187124821.db2.gz UMOTVIIBUONJBO-DISONHOPSA-N 1 2 391.512 0.629 10 0 GCAELO COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000612731158 1187568175 /nfs/dbraw/zinc/56/81/75/1187568175.db2.gz BXNPKMATICHJNL-UHFFFAOYSA-N 1 2 386.412 0.495 10 0 GCAELO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000685854167 1187679997 /nfs/dbraw/zinc/67/99/97/1187679997.db2.gz XVEZZXHAZNEKBA-AWEZNQCLSA-N 1 2 376.438 0.495 10 0 GCAELO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)cc21 ZINC000174801246 1187766417 /nfs/dbraw/zinc/76/64/17/1187766417.db2.gz OPOLNPULROULLS-UHFFFAOYSA-N 1 2 383.452 0.632 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCCOC3)cc2)CC1 ZINC000511755182 1189852783 /nfs/dbraw/zinc/85/27/83/1189852783.db2.gz RIKOAAUMPIKFQV-SFHVURJKSA-N 1 2 388.468 0.584 10 0 GCAELO Cc1nc(N2CCN(C(=O)Nc3ccn(CCS(C)(=O)=O)n3)CC2)cc[nH+]1 ZINC000759987837 1193725527 /nfs/dbraw/zinc/72/55/27/1193725527.db2.gz XIDLMLDHGSTEBC-UHFFFAOYSA-N 1 2 393.473 0.380 10 0 GCAELO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246988066 1193730952 /nfs/dbraw/zinc/73/09/52/1193730952.db2.gz FWSLKXFQWCCXGG-HZPDHXFCSA-N 1 2 380.514 0.347 10 0 GCAELO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246988066 1193730956 /nfs/dbraw/zinc/73/09/56/1193730956.db2.gz FWSLKXFQWCCXGG-HZPDHXFCSA-N 1 2 380.514 0.347 10 0 GCAELO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC2(CC2)c2ccccc21 ZINC000434541725 1194850692 /nfs/dbraw/zinc/85/06/92/1194850692.db2.gz GWTDNQKFUZYJDS-UHFFFAOYSA-N 1 2 395.463 1.232 10 0 GCAELO COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1OC ZINC000434784460 1194869643 /nfs/dbraw/zinc/86/96/43/1194869643.db2.gz NKEMMHFHYHTBKS-LJQANCHMSA-N 1 2 390.440 0.336 10 0 GCAELO COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1OC ZINC000434784460 1194869646 /nfs/dbraw/zinc/86/96/46/1194869646.db2.gz NKEMMHFHYHTBKS-LJQANCHMSA-N 1 2 390.440 0.336 10 0 GCAELO CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434794341 1194870408 /nfs/dbraw/zinc/87/04/08/1194870408.db2.gz MSEDCWWAWCGQDI-HXUWFJFHSA-N 1 2 388.468 0.902 10 0 GCAELO CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434794341 1194870411 /nfs/dbraw/zinc/87/04/11/1194870411.db2.gz MSEDCWWAWCGQDI-HXUWFJFHSA-N 1 2 388.468 0.902 10 0 GCAELO COc1cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc(Cl)c1OCC(N)=O ZINC000435028084 1194884433 /nfs/dbraw/zinc/88/44/33/1194884433.db2.gz SJFSLGNRHBZTKU-KRWDZBQOSA-N 1 2 396.831 0.387 10 0 GCAELO COc1cc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc(Cl)c1OCC(N)=O ZINC000435028084 1194884435 /nfs/dbraw/zinc/88/44/35/1194884435.db2.gz SJFSLGNRHBZTKU-KRWDZBQOSA-N 1 2 396.831 0.387 10 0 GCAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]3(O)CCCN(C(C)=O)C3)CC2)cn1 ZINC000285022686 1194974339 /nfs/dbraw/zinc/97/43/39/1194974339.db2.gz VBLYSKMPGWUTEI-HXUWFJFHSA-N 1 2 391.516 0.701 10 0 GCAELO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@]3(O)CCCN(C(C)=O)C3)CC2)cn1 ZINC000285022686 1194974342 /nfs/dbraw/zinc/97/43/42/1194974342.db2.gz VBLYSKMPGWUTEI-HXUWFJFHSA-N 1 2 391.516 0.701 10 0 GCAELO Cc1sc2ncn(CCC(=O)NC[C@H]3C[NH+]4CCN3CC4)c(=O)c2c1C ZINC000437343530 1195101306 /nfs/dbraw/zinc/10/13/06/1195101306.db2.gz GMDQLDOULBJDMW-AWEZNQCLSA-N 1 2 375.498 0.581 10 0 GCAELO COC[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000437396919 1195105763 /nfs/dbraw/zinc/10/57/63/1195105763.db2.gz YHKNEUUJUGIGFF-FUHWJXTLSA-N 1 2 393.459 0.810 10 0 GCAELO CO[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000549994680 1195147255 /nfs/dbraw/zinc/14/72/55/1195147255.db2.gz AOJGOYGTGYIMKG-RCCFBDPRSA-N 1 2 375.469 0.687 10 0 GCAELO CO[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000549994680 1195147257 /nfs/dbraw/zinc/14/72/57/1195147257.db2.gz AOJGOYGTGYIMKG-RCCFBDPRSA-N 1 2 375.469 0.687 10 0 GCAELO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000438642517 1195233307 /nfs/dbraw/zinc/23/33/07/1195233307.db2.gz ACLLRTRQUHOAEB-AWEZNQCLSA-N 1 2 381.498 0.858 10 0 GCAELO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000438642517 1195233311 /nfs/dbraw/zinc/23/33/11/1195233311.db2.gz ACLLRTRQUHOAEB-AWEZNQCLSA-N 1 2 381.498 0.858 10 0 GCAELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000550279327 1195490668 /nfs/dbraw/zinc/49/06/68/1195490668.db2.gz HQBZRTFVRXDBLH-NRFANRHFSA-N 1 2 399.495 0.817 10 0 GCAELO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC[C@H](O)Cn1ccnn1 ZINC000458890495 1195656376 /nfs/dbraw/zinc/65/63/76/1195656376.db2.gz UGZZIIYDNVSQAA-LBPRGKRZSA-N 1 2 375.820 0.978 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CC[N@@H+]1CCO ZINC000190036799 1195755968 /nfs/dbraw/zinc/75/59/68/1195755968.db2.gz XMGPYYXHZPNLTA-CYBMUJFWSA-N 1 2 385.468 0.914 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CC[N@H+]1CCO ZINC000190036799 1195755969 /nfs/dbraw/zinc/75/59/69/1195755969.db2.gz XMGPYYXHZPNLTA-CYBMUJFWSA-N 1 2 385.468 0.914 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)n(-c2ccc(F)cc2)n1 ZINC000190030489 1195756089 /nfs/dbraw/zinc/75/60/89/1195756089.db2.gz IGZQDOICFBNIMG-CQSZACIVSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n(-c2ccc(F)cc2)n1 ZINC000190030489 1195756091 /nfs/dbraw/zinc/75/60/91/1195756091.db2.gz IGZQDOICFBNIMG-CQSZACIVSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1cc(N2CCC[C@@H]([NH+]3CCN(c4ncnc5n[nH]cc54)CC3)C2=O)n(C)n1 ZINC000507916404 1195872045 /nfs/dbraw/zinc/87/20/45/1195872045.db2.gz BEOZDIOZQUSLGY-OAHLLOKOSA-N 1 2 395.471 0.712 10 0 GCAELO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CN2CCOCC2=O)[C@H](C)C1 ZINC000508330448 1195917803 /nfs/dbraw/zinc/91/78/03/1195917803.db2.gz FRDBQNAUOWUXFE-MRXNPFEDSA-N 1 2 375.469 0.977 10 0 GCAELO CCOc1ccccc1C[N@H+]1CCN(C(=O)CN2CCOCC2=O)[C@H](C)C1 ZINC000508330448 1195917810 /nfs/dbraw/zinc/91/78/10/1195917810.db2.gz FRDBQNAUOWUXFE-MRXNPFEDSA-N 1 2 375.469 0.977 10 0 GCAELO CCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000443378396 1196043430 /nfs/dbraw/zinc/04/34/30/1196043430.db2.gz VCYIMAHFHRIGAO-ZDUSSCGKSA-N 1 2 379.461 0.164 10 0 GCAELO NS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000443493350 1196061350 /nfs/dbraw/zinc/06/13/50/1196061350.db2.gz RIHISTXGYIFOKS-MRXNPFEDSA-N 1 2 377.470 0.894 10 0 GCAELO O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000329218345 1196176852 /nfs/dbraw/zinc/17/68/52/1196176852.db2.gz RPHGOVLIMSIAJK-UHFFFAOYSA-N 1 2 379.482 0.628 10 0 GCAELO CCOC(Cn1cc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)nn1)OCC ZINC000760094862 1196257690 /nfs/dbraw/zinc/25/76/90/1196257690.db2.gz ONXGFOMRPXCTMD-UHFFFAOYSA-N 1 2 389.460 0.738 10 0 GCAELO C[C@]1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCC(=O)NC1 ZINC000281100158 1196277166 /nfs/dbraw/zinc/27/71/66/1196277166.db2.gz AINJDHUMLKWASL-UZLBHIALSA-N 1 2 375.469 0.487 10 0 GCAELO O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000282007841 1196472448 /nfs/dbraw/zinc/47/24/48/1196472448.db2.gz WOHRZIADGSKGGG-HOCLYGCPSA-N 1 2 375.473 0.911 10 0 GCAELO O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000282007841 1196472451 /nfs/dbraw/zinc/47/24/51/1196472451.db2.gz WOHRZIADGSKGGG-HOCLYGCPSA-N 1 2 375.473 0.911 10 0 GCAELO O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000282007854 1196472799 /nfs/dbraw/zinc/47/27/99/1196472799.db2.gz WOHRZIADGSKGGG-ZBFHGGJFSA-N 1 2 375.473 0.911 10 0 GCAELO O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000282007854 1196472802 /nfs/dbraw/zinc/47/28/02/1196472802.db2.gz WOHRZIADGSKGGG-ZBFHGGJFSA-N 1 2 375.473 0.911 10 0 GCAELO COCCCn1ccc(NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000444505475 1196499146 /nfs/dbraw/zinc/49/91/46/1196499146.db2.gz HAOPJXGLOUQHRD-UHFFFAOYSA-N 1 2 396.451 1.419 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCc2ccnn2C)CC1 ZINC000445038032 1196538604 /nfs/dbraw/zinc/53/86/04/1196538604.db2.gz HJBWGOQKWZWPTO-UHFFFAOYSA-N 1 2 398.467 0.339 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC000445110643 1196550085 /nfs/dbraw/zinc/55/00/85/1196550085.db2.gz KGTUGMRTSYRWMP-UHFFFAOYSA-N 1 2 398.467 0.339 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H](C)[C@H](C)CO)CC1 ZINC000445154302 1196553758 /nfs/dbraw/zinc/55/37/58/1196553758.db2.gz ZRRKTNWZWUPPFE-CABCVRRESA-N 1 2 390.484 0.422 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H](O)Cc3cnn(C)c3)c2)CC1 ZINC000527048559 1196760909 /nfs/dbraw/zinc/76/09/09/1196760909.db2.gz JAEZMOAUECFSPX-IBGZPJMESA-N 1 2 385.468 0.626 10 0 GCAELO CCNc1nc(NC(C)(C)C)nc(N2C[C@@H](C(=O)OCC)C3(COC3)C2)[nH+]1 ZINC000450569049 1196940454 /nfs/dbraw/zinc/94/04/54/1196940454.db2.gz NPHZJIAZEHSBAQ-LBPRGKRZSA-N 1 2 378.477 0.952 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCO[C@@H](c3cccc(O)c3)C1)c(=O)n2C ZINC000121571302 1196968799 /nfs/dbraw/zinc/96/87/99/1196968799.db2.gz ANYLWHJPHGWQGP-MRXNPFEDSA-N 1 2 399.451 0.603 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCO[C@@H](c3cccc(O)c3)C1)c(=O)n2C ZINC000121571302 1196968801 /nfs/dbraw/zinc/96/88/01/1196968801.db2.gz ANYLWHJPHGWQGP-MRXNPFEDSA-N 1 2 399.451 0.603 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CCOc2cccc(S(C)(=O)=O)c2)CC12COC2 ZINC000451142312 1196972857 /nfs/dbraw/zinc/97/28/57/1196972857.db2.gz WGPZSBLIBUOQPN-INIZCTEOSA-N 1 2 383.466 0.980 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)CC12COC2 ZINC000451142312 1196972860 /nfs/dbraw/zinc/97/28/60/1196972860.db2.gz WGPZSBLIBUOQPN-INIZCTEOSA-N 1 2 383.466 0.980 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)CC12COC2 ZINC000451127790 1196973892 /nfs/dbraw/zinc/97/38/92/1196973892.db2.gz ASKKIQDTEDYSQZ-INIZCTEOSA-N 1 2 383.466 0.980 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)CC12COC2 ZINC000451127790 1196973896 /nfs/dbraw/zinc/97/38/96/1196973896.db2.gz ASKKIQDTEDYSQZ-INIZCTEOSA-N 1 2 383.466 0.980 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)CC12COC2 ZINC000451127791 1196974172 /nfs/dbraw/zinc/97/41/72/1196974172.db2.gz ASKKIQDTEDYSQZ-MRXNPFEDSA-N 1 2 383.466 0.980 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)CC12COC2 ZINC000451127791 1196974174 /nfs/dbraw/zinc/97/41/74/1196974174.db2.gz ASKKIQDTEDYSQZ-MRXNPFEDSA-N 1 2 383.466 0.980 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC12COC2 ZINC000451133968 1196974682 /nfs/dbraw/zinc/97/46/82/1196974682.db2.gz KEIJLCPTXDYVRR-ZIAGYGMSSA-N 1 2 387.436 0.872 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC12COC2 ZINC000451133968 1196974685 /nfs/dbraw/zinc/97/46/85/1196974685.db2.gz KEIJLCPTXDYVRR-ZIAGYGMSSA-N 1 2 387.436 0.872 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451137279 1196975178 /nfs/dbraw/zinc/97/51/78/1196975178.db2.gz OQYYPHXFHVEGNX-GJZGRUSLSA-N 1 2 381.473 0.015 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451137279 1196975180 /nfs/dbraw/zinc/97/51/80/1196975180.db2.gz OQYYPHXFHVEGNX-GJZGRUSLSA-N 1 2 381.473 0.015 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC12COC2 ZINC000451138173 1196975336 /nfs/dbraw/zinc/97/53/36/1196975336.db2.gz QDFHZMZVOROSNP-DOTOQJQBSA-N 1 2 389.452 0.101 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC12COC2 ZINC000451138173 1196975338 /nfs/dbraw/zinc/97/53/38/1196975338.db2.gz QDFHZMZVOROSNP-DOTOQJQBSA-N 1 2 389.452 0.101 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451137259 1196975471 /nfs/dbraw/zinc/97/54/71/1196975471.db2.gz OQYYPHXFHVEGNX-CABCVRRESA-N 1 2 381.473 0.015 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451137259 1196975473 /nfs/dbraw/zinc/97/54/73/1196975473.db2.gz OQYYPHXFHVEGNX-CABCVRRESA-N 1 2 381.473 0.015 10 0 GCAELO CCc1cnc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000173036432 1197175556 /nfs/dbraw/zinc/17/55/56/1197175556.db2.gz BGOOOTNBFKGBGY-AWEZNQCLSA-N 1 2 380.514 0.545 10 0 GCAELO O=C(CN1CCN(Cc2ccccc2)CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174166773 1197179600 /nfs/dbraw/zinc/17/96/00/1197179600.db2.gz UMWOCCLYQQAFOJ-NRFANRHFSA-N 1 2 386.540 0.985 10 0 GCAELO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000174009585 1197180506 /nfs/dbraw/zinc/18/05/06/1197180506.db2.gz AALKAJGXIAOQIT-PBHICJAKSA-N 1 2 391.516 0.265 10 0 GCAELO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000475730805 1197194392 /nfs/dbraw/zinc/19/43/92/1197194392.db2.gz AQOJLSWSCWZUFZ-KRWDZBQOSA-N 1 2 390.509 0.907 10 0 GCAELO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000475730805 1197194394 /nfs/dbraw/zinc/19/43/94/1197194394.db2.gz AQOJLSWSCWZUFZ-KRWDZBQOSA-N 1 2 390.509 0.907 10 0 GCAELO COCCn1c(N)c(C(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c(=O)[nH]c1=O ZINC000186231252 1197227214 /nfs/dbraw/zinc/22/72/14/1197227214.db2.gz GXCNLLUVVAOUSC-UHFFFAOYSA-N 1 2 384.436 0.495 10 0 GCAELO COCCn1c(N)c(C(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)c(=O)[nH]c1=O ZINC000186231252 1197227217 /nfs/dbraw/zinc/22/72/17/1197227217.db2.gz GXCNLLUVVAOUSC-UHFFFAOYSA-N 1 2 384.436 0.495 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)CC[N@@H+]1CCO ZINC000190039249 1197239857 /nfs/dbraw/zinc/23/98/57/1197239857.db2.gz SKUDKNMYDYSIIP-ZDUSSCGKSA-N 1 2 375.404 0.475 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)CC[N@H+]1CCO ZINC000190039249 1197239860 /nfs/dbraw/zinc/23/98/60/1197239860.db2.gz SKUDKNMYDYSIIP-ZDUSSCGKSA-N 1 2 375.404 0.475 10 0 GCAELO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN1c1nccs1 ZINC000332889611 1197346149 /nfs/dbraw/zinc/34/61/49/1197346149.db2.gz SFEQFHVEHWWYTJ-CABCVRRESA-N 1 2 393.513 0.161 10 0 GCAELO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246898086 1197474611 /nfs/dbraw/zinc/47/46/11/1197474611.db2.gz HNYVIXKTCIDYPN-IPELMVKDSA-N 1 2 384.484 0.944 10 0 GCAELO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000261974164 1197520780 /nfs/dbraw/zinc/52/07/80/1197520780.db2.gz IOMCZEVQDHEXBC-AWEZNQCLSA-N 1 2 396.494 0.085 10 0 GCAELO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000262178615 1197527141 /nfs/dbraw/zinc/52/71/41/1197527141.db2.gz BGGQYGJAUJWCBV-MRXNPFEDSA-N 1 2 396.494 0.325 10 0 GCAELO COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)c(OC)c1 ZINC000262968871 1197539660 /nfs/dbraw/zinc/53/96/60/1197539660.db2.gz LODLXLGGYZRHFK-CQSZACIVSA-N 1 2 383.395 0.985 10 0 GCAELO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263102530 1197541425 /nfs/dbraw/zinc/54/14/25/1197541425.db2.gz ZOPPZKINIJLTLI-AWEZNQCLSA-N 1 2 394.488 0.637 10 0 GCAELO Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000298714385 1199083707 /nfs/dbraw/zinc/08/37/07/1199083707.db2.gz LVTPXHYFEKSUHJ-UHFFFAOYSA-N 1 2 395.529 0.043 10 0 GCAELO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000672145033 1199134696 /nfs/dbraw/zinc/13/46/96/1199134696.db2.gz SMGANVVXZLZISE-OAHLLOKOSA-N 1 2 390.465 0.885 10 0 GCAELO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672553544 1199265258 /nfs/dbraw/zinc/26/52/58/1199265258.db2.gz DLLLUJWIFZAYRS-QGZVFWFLSA-N 1 2 398.467 0.595 10 0 GCAELO CNS(=O)(=O)c1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000672637026 1199288301 /nfs/dbraw/zinc/28/83/01/1199288301.db2.gz QFYQCXUKPKWDLV-DZGCQCFKSA-N 1 2 382.486 0.922 10 0 GCAELO O=C(Nc1ccc(N2CCCC2)nc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781779 1199939775 /nfs/dbraw/zinc/93/97/75/1199939775.db2.gz IAXJVAUVQMYYNR-KRWDZBQOSA-N 1 2 387.484 0.944 10 0 GCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435047683 1200661843 /nfs/dbraw/zinc/66/18/43/1200661843.db2.gz CCDTXHRIWKUJNR-CQSZACIVSA-N 1 2 394.472 0.596 10 0 GCAELO CC(C)(C)n1cnc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000542345253 1200680950 /nfs/dbraw/zinc/68/09/50/1200680950.db2.gz GCFCNEHYPIYBBW-KGLIPLIRSA-N 1 2 378.477 0.731 10 0 GCAELO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000533454058 1200875216 /nfs/dbraw/zinc/87/52/16/1200875216.db2.gz NFQJDEWCCKRFNI-CYBMUJFWSA-N 1 2 385.415 0.848 10 0 GCAELO O=C([C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827610841 1201704701 /nfs/dbraw/zinc/70/47/01/1201704701.db2.gz ACGUNPZZFKRUGJ-ZOBUZTSGSA-N 1 2 388.386 0.731 10 0 GCAELO O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000827748311 1201707368 /nfs/dbraw/zinc/70/73/68/1201707368.db2.gz QVWWETYTNNVDFD-KBPBESRZSA-N 1 2 395.510 0.797 10 0 GCAELO O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000827748312 1201707417 /nfs/dbraw/zinc/70/74/17/1201707417.db2.gz QVWWETYTNNVDFD-KGLIPLIRSA-N 1 2 395.510 0.797 10 0 GCAELO Cc1cn(C(C)(C)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c[nH+]1 ZINC000827957159 1201711269 /nfs/dbraw/zinc/71/12/69/1201711269.db2.gz VSTOSKHQZHMLSV-UHFFFAOYSA-N 1 2 385.472 0.572 10 0 GCAELO COC(=O)c1ccc(=O)n(CN2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1 ZINC000739833971 1201743229 /nfs/dbraw/zinc/74/32/29/1201743229.db2.gz YBNNLCHPZJCLMD-UHFFFAOYSA-N 1 2 390.415 0.953 10 0 GCAELO CC(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000804325327 1201948167 /nfs/dbraw/zinc/94/81/67/1201948167.db2.gz SVWNKSUOICGFJM-INIZCTEOSA-N 1 2 379.482 0.946 10 0 GCAELO O=C(CN1CCOC[C@H]1CCO)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000767588978 1201979641 /nfs/dbraw/zinc/97/96/41/1201979641.db2.gz MFYVQYAJOLWIOX-LJQANCHMSA-N 1 2 389.496 0.349 10 0 GCAELO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCO1 ZINC000806666079 1205563578 /nfs/dbraw/zinc/56/35/78/1205563578.db2.gz SONIRWDEDPCNJD-CABCVRRESA-N 1 2 388.534 0.211 10 0 GCAELO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCO1 ZINC000806666079 1205563579 /nfs/dbraw/zinc/56/35/79/1205563579.db2.gz SONIRWDEDPCNJD-CABCVRRESA-N 1 2 388.534 0.211 10 0 GCAELO Cn1cc(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 ZINC000805275066 1205573897 /nfs/dbraw/zinc/57/38/97/1205573897.db2.gz GRYBFBSFAFMUKS-HNNXBMFYSA-N 1 2 393.492 0.652 10 0 GCAELO C[C@H](O)C(=O)N1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000179544022 530132038 /nfs/dbraw/zinc/13/20/38/530132038.db2.gz YGYHDIIAWVBQOL-GXTWGEPZSA-N 1 2 387.274 0.714 10 0 GCAELO C[C@H](O)C(=O)N1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000179543999 530132193 /nfs/dbraw/zinc/13/21/93/530132193.db2.gz YGYHDIIAWVBQOL-JSGCOSHPSA-N 1 2 387.274 0.714 10 0 GCAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000118115131 530266900 /nfs/dbraw/zinc/26/69/00/530266900.db2.gz ZKDVGBDGJBROFJ-ZDUSSCGKSA-N 1 2 382.258 0.785 10 0 GCAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000118115131 530266902 /nfs/dbraw/zinc/26/69/02/530266902.db2.gz ZKDVGBDGJBROFJ-ZDUSSCGKSA-N 1 2 382.258 0.785 10 0 GCAELO NC(=O)c1c(F)cc(Br)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000094132238 530297533 /nfs/dbraw/zinc/29/75/33/530297533.db2.gz TYTAIRVUDAZELG-SNVBAGLBSA-N 1 2 376.226 0.792 10 0 GCAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1C ZINC000154138371 530317553 /nfs/dbraw/zinc/31/75/53/530317553.db2.gz FPZHCNOYJVEHRG-NSHDSACASA-N 1 2 385.262 0.962 10 0 GCAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1C ZINC000154138371 530317554 /nfs/dbraw/zinc/31/75/54/530317554.db2.gz FPZHCNOYJVEHRG-NSHDSACASA-N 1 2 385.262 0.962 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000180257085 530369207 /nfs/dbraw/zinc/36/92/07/530369207.db2.gz IUNWFCAJALKYNJ-BXUZGUMPSA-N 1 2 397.273 0.962 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000180257108 530369451 /nfs/dbraw/zinc/36/94/51/530369451.db2.gz IUNWFCAJALKYNJ-SMDDNHRTSA-N 1 2 397.273 0.962 10 0 GCAELO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)cnc1Br ZINC000182680594 530373246 /nfs/dbraw/zinc/37/32/46/530373246.db2.gz YZEVKWPASFYSEE-NSHDSACASA-N 1 2 385.262 0.928 10 0 GCAELO C[C@@H]1CN(S(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@@H](C)O1 ZINC000042169269 530374375 /nfs/dbraw/zinc/37/43/75/530374375.db2.gz NKIPMWQGSLFXDM-RBSFLKMASA-N 1 2 379.548 0.138 10 0 GCAELO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000283036566 530376505 /nfs/dbraw/zinc/37/65/05/530376505.db2.gz GKXZWDYRYFHFHP-OLZOCXBDSA-N 1 2 388.511 0.956 10 0 GCAELO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000283036566 530376506 /nfs/dbraw/zinc/37/65/06/530376506.db2.gz GKXZWDYRYFHFHP-OLZOCXBDSA-N 1 2 388.511 0.956 10 0 GCAELO CC(=O)Nc1ncc(S(=O)(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)s1 ZINC000287461138 530408748 /nfs/dbraw/zinc/40/87/48/530408748.db2.gz ROTWQUGGGRHDRZ-CYBMUJFWSA-N 1 2 388.515 0.833 10 0 GCAELO CC(=O)Nc1ncc(S(=O)(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)s1 ZINC000287461138 530408750 /nfs/dbraw/zinc/40/87/50/530408750.db2.gz ROTWQUGGGRHDRZ-CYBMUJFWSA-N 1 2 388.515 0.833 10 0 GCAELO Cn1ncc(I)c1-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000291849100 530443397 /nfs/dbraw/zinc/44/33/97/530443397.db2.gz GOTKJOQPUMRWFH-VIFPVBQESA-N 1 2 386.197 0.747 10 0 GCAELO COCC(=O)N1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000047997299 530522079 /nfs/dbraw/zinc/52/20/79/530522079.db2.gz SNJLNTSMNNWIOY-AWEZNQCLSA-N 1 2 387.274 0.979 10 0 GCAELO CN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H]1CCS(=O)(=O)C1 ZINC000329587268 530615693 /nfs/dbraw/zinc/61/56/93/530615693.db2.gz RXCCTQGTONLFSZ-MRXNPFEDSA-N 1 2 385.555 0.759 10 0 GCAELO O=C(CNC(=O)Cc1ccc(Br)s1)NCC[NH+]1CCOCC1 ZINC000114333981 530587067 /nfs/dbraw/zinc/58/70/67/530587067.db2.gz FHGQRDCQWJZJFV-UHFFFAOYSA-N 1 2 390.303 0.618 10 0 GCAELO COCC[N@@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)C[C@H]1C ZINC000330162403 530628221 /nfs/dbraw/zinc/62/82/21/530628221.db2.gz AHIBXQYJEWSAIA-WBVHZDCISA-N 1 2 375.535 0.760 10 0 GCAELO COCC[N@H+]1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)C[C@H]1C ZINC000330162403 530628224 /nfs/dbraw/zinc/62/82/24/530628224.db2.gz AHIBXQYJEWSAIA-WBVHZDCISA-N 1 2 375.535 0.760 10 0 GCAELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)CC1 ZINC000330201230 530629277 /nfs/dbraw/zinc/62/92/77/530629277.db2.gz XLIIEADBXSOTTP-DLBZAZTESA-N 1 2 375.535 0.496 10 0 GCAELO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)CC1 ZINC000302750073 530682548 /nfs/dbraw/zinc/68/25/48/530682548.db2.gz GZLVLLNTOOZKPH-UHFFFAOYSA-N 1 2 399.464 0.776 10 0 GCAELO CN(Cc1cn(C)nc1C(F)(F)F)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463881650 530660294 /nfs/dbraw/zinc/66/02/94/530660294.db2.gz VVRGMYZAJDKMPI-UHFFFAOYSA-N 1 2 384.424 0.923 10 0 GCAELO NS(=O)(=O)c1cnc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)s1 ZINC000301653299 530679941 /nfs/dbraw/zinc/67/99/41/530679941.db2.gz RDIRYMUHPUPEAZ-UONOGXRCSA-N 1 2 380.495 0.880 10 0 GCAELO NS(=O)(=O)c1cnc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)s1 ZINC000301653299 530679943 /nfs/dbraw/zinc/67/99/43/530679943.db2.gz RDIRYMUHPUPEAZ-UONOGXRCSA-N 1 2 380.495 0.880 10 0 GCAELO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CCSC[C@H]1CCO ZINC000478889909 530754235 /nfs/dbraw/zinc/75/42/35/530754235.db2.gz WCGNPBLWNXAZHW-CQSZACIVSA-N 1 2 383.539 0.549 10 0 GCAELO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CCSC[C@H]1CCO ZINC000478889909 530754238 /nfs/dbraw/zinc/75/42/38/530754238.db2.gz WCGNPBLWNXAZHW-CQSZACIVSA-N 1 2 383.539 0.549 10 0 GCAELO O=C(Cn1cc(Br)cn1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000477821205 530747157 /nfs/dbraw/zinc/74/71/57/530747157.db2.gz QTJMXJYUARHJGO-UHFFFAOYSA-N 1 2 398.305 0.706 10 0 GCAELO O=C(C[NH+]1CCN(c2ccc(Br)cn2)CC1)NC(=O)NC1CC1 ZINC000106119946 530804685 /nfs/dbraw/zinc/80/46/85/530804685.db2.gz OGXGTGUEGUMFCV-UHFFFAOYSA-N 1 2 382.262 0.954 10 0 GCAELO O=S(=O)(c1ccc(F)cc1F)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000269348931 530822440 /nfs/dbraw/zinc/82/24/40/530822440.db2.gz FJCIRAJHOPAVEP-UHFFFAOYSA-N 1 2 376.425 0.813 10 0 GCAELO C[C@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)C[C@@H]1[NH+]1CCOCC1 ZINC000173865937 530848047 /nfs/dbraw/zinc/84/80/47/530848047.db2.gz ONWJMAGUNRAMRB-JQWIXIFHSA-N 1 2 395.261 0.680 10 0 GCAELO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178965454 530852187 /nfs/dbraw/zinc/85/21/87/530852187.db2.gz XFKZDSMGUQVBHV-GFCCVEGCSA-N 1 2 381.274 0.812 10 0 GCAELO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000187241793 530864120 /nfs/dbraw/zinc/86/41/20/530864120.db2.gz DQJWNWYABAAMNP-NSHDSACASA-N 1 2 399.264 0.951 10 0 GCAELO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2C1 ZINC000657021667 530868298 /nfs/dbraw/zinc/86/82/98/530868298.db2.gz CYKGIDYUJUFGKW-UONOGXRCSA-N 1 2 385.511 0.092 10 0 GCAELO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2C1 ZINC000657021667 530868302 /nfs/dbraw/zinc/86/83/02/530868302.db2.gz CYKGIDYUJUFGKW-UONOGXRCSA-N 1 2 385.511 0.092 10 0 GCAELO O=C(CNC(=O)C[N@@H+]1CCNC(=O)CC1)Nc1ccccc1Br ZINC000054258646 530947780 /nfs/dbraw/zinc/94/77/80/530947780.db2.gz PHKCXYQGSPLSAG-UHFFFAOYSA-N 1 2 383.246 0.326 10 0 GCAELO O=C(CNC(=O)C[N@H+]1CCNC(=O)CC1)Nc1ccccc1Br ZINC000054258646 530947782 /nfs/dbraw/zinc/94/77/82/530947782.db2.gz PHKCXYQGSPLSAG-UHFFFAOYSA-N 1 2 383.246 0.326 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000251890507 530983892 /nfs/dbraw/zinc/98/38/92/530983892.db2.gz QHWJCLAEUGEOCB-KGLIPLIRSA-N 1 2 376.429 0.558 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000251890507 530983894 /nfs/dbraw/zinc/98/38/94/530983894.db2.gz QHWJCLAEUGEOCB-KGLIPLIRSA-N 1 2 376.429 0.558 10 0 GCAELO NS(=O)(=O)CCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000525120359 530992832 /nfs/dbraw/zinc/99/28/32/530992832.db2.gz OSUBPDDXKBZNLW-UHFFFAOYSA-N 1 2 375.878 0.542 10 0 GCAELO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262975501 530999964 /nfs/dbraw/zinc/99/99/64/530999964.db2.gz MGJFFOSNTTZWCB-LLVKDONJSA-N 1 2 378.401 0.122 10 0 GCAELO Brc1c(NC2COCCOC2)nc[nH+]c1NC1COCCOC1 ZINC000663931815 531037920 /nfs/dbraw/zinc/03/79/20/531037920.db2.gz GUVZAQFFWUUEHQ-UHFFFAOYSA-N 1 2 389.250 0.894 10 0 GCAELO NC(=O)C[NH+]1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000612401373 531041686 /nfs/dbraw/zinc/04/16/86/531041686.db2.gz JREKNYJGVKBHNQ-UHFFFAOYSA-N 1 2 397.220 0.842 10 0 GCAELO CC(=O)N1CC[NH+](CCNc2ncc(I)cn2)CC1 ZINC000545915416 531051097 /nfs/dbraw/zinc/05/10/97/531051097.db2.gz VMCPXXKMQVFOMR-UHFFFAOYSA-N 1 2 375.214 0.657 10 0 GCAELO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@H]21 ZINC000333633590 531056145 /nfs/dbraw/zinc/05/61/45/531056145.db2.gz HUIIUDOSWBDNSM-MNOVXSKESA-N 1 2 381.234 1.039 10 0 GCAELO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@H]21 ZINC000333633590 531056149 /nfs/dbraw/zinc/05/61/49/531056149.db2.gz HUIIUDOSWBDNSM-MNOVXSKESA-N 1 2 381.234 1.039 10 0 GCAELO CC(C)Cn1cc[nH+]c1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000130860368 531074029 /nfs/dbraw/zinc/07/40/29/531074029.db2.gz CSOVDAKATLBEHM-UHFFFAOYSA-N 1 2 384.234 0.468 10 0 GCAELO COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263219888 531104256 /nfs/dbraw/zinc/10/42/56/531104256.db2.gz LRBSUHHCLCEZNS-CYBMUJFWSA-N 1 2 377.413 0.225 10 0 GCAELO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncc(I)cn1 ZINC000547328703 531096672 /nfs/dbraw/zinc/09/66/72/531096672.db2.gz PPARJLHFFVZENS-NSHDSACASA-N 1 2 378.214 0.211 10 0 GCAELO CC(C)NC(=O)C[NH+]1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000680330185 531160143 /nfs/dbraw/zinc/16/01/43/531160143.db2.gz KFRHFSLOBXTLKA-UHFFFAOYSA-N 1 2 384.278 0.590 10 0 GCAELO O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000256011635 212140726 /nfs/dbraw/zinc/14/07/26/212140726.db2.gz XQHGISDMVBTGAL-ZACQAIPSSA-N 1 2 399.451 0.001 10 0 GCAELO O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000256011635 212140727 /nfs/dbraw/zinc/14/07/27/212140727.db2.gz XQHGISDMVBTGAL-ZACQAIPSSA-N 1 2 399.451 0.001 10 0 GCAELO COCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000032536424 207397630 /nfs/dbraw/zinc/39/76/30/207397630.db2.gz ZPKHEPVVQMBWSM-HOTGVXAUSA-N 1 2 391.511 0.649 10 0 GCAELO CC(=O)N[C@@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)c1cccc(Br)c1 ZINC000913558858 639638601 /nfs/dbraw/zinc/63/86/01/639638601.db2.gz ZDZGVMYKVDEOFY-LSDHHAIUSA-N 1 2 384.274 0.761 10 0 GCAELO CC(=O)N[C@@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)c1cccc(Br)c1 ZINC000913558858 639638607 /nfs/dbraw/zinc/63/86/07/639638607.db2.gz ZDZGVMYKVDEOFY-LSDHHAIUSA-N 1 2 384.274 0.761 10 0 GCAELO C[C@@H](CO)C[NH+]1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000766915231 640709174 /nfs/dbraw/zinc/70/91/74/640709174.db2.gz BEJWDPBKKNSMJI-CYBMUJFWSA-N 1 2 377.507 0.182 10 0 GCAELO C[C@@H]1C[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C[C@@H](C(N)=O)O1 ZINC000124311255 641496670 /nfs/dbraw/zinc/49/66/70/641496670.db2.gz UTUVUIPOVQQIPM-SKDRFNHKSA-N 1 2 381.230 0.691 10 0 GCAELO C[C@@H]1C[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C[C@@H](C(N)=O)O1 ZINC000124311255 641496674 /nfs/dbraw/zinc/49/66/74/641496674.db2.gz UTUVUIPOVQQIPM-SKDRFNHKSA-N 1 2 381.230 0.691 10 0 GCAELO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000626254034 1192296066 /nfs/dbraw/zinc/29/60/66/1192296066.db2.gz MDRMIQRGAKKEMQ-AWEZNQCLSA-N 1 2 375.473 0.586 10 0 GCAELO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)Cc2ccoc2)CC3)CC1 ZINC000683123639 1184142869 /nfs/dbraw/zinc/14/28/69/1184142869.db2.gz AIPGDSCRTYWQHM-HNNXBMFYSA-N 1 2 385.468 0.785 10 0 GCAELO Cc1cnccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000683124332 1184144237 /nfs/dbraw/zinc/14/42/37/1184144237.db2.gz JXUZZCWCTADPCR-INIZCTEOSA-N 1 2 396.495 0.967 10 0 GCAELO Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(C)[nH+]c3N(C)C)CC2)[nH]1 ZINC000784956935 1184520955 /nfs/dbraw/zinc/52/09/55/1184520955.db2.gz NJLAKVACBHMBDV-UHFFFAOYSA-N 1 2 386.460 0.165 10 0 GCAELO CS(=O)(=O)NCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000510206819 1184610672 /nfs/dbraw/zinc/61/06/72/1184610672.db2.gz BZQVXCTVJCNKBD-UHFFFAOYSA-N 1 2 383.470 0.658 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)[C@H]3CCOC3)c2)CC1 ZINC000275663001 1184887905 /nfs/dbraw/zinc/88/79/05/1184887905.db2.gz NUSRDYCTKKQBAV-SFHVURJKSA-N 1 2 388.468 0.537 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)CO)c2)CC1 ZINC000275681254 1184919538 /nfs/dbraw/zinc/91/95/38/1184919538.db2.gz PJXDOSVTZSLTLB-CABCVRRESA-N 1 2 390.484 0.422 10 0 GCAELO Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cc21 ZINC000683863866 1185155090 /nfs/dbraw/zinc/15/50/90/1185155090.db2.gz UPZMHICPHNGMOQ-QGZVFWFLSA-N 1 2 398.463 0.800 10 0 GCAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@H]21 ZINC000581443540 1185690670 /nfs/dbraw/zinc/69/06/70/1185690670.db2.gz DOFBKVLOGFWOTD-CVEARBPZSA-N 1 2 387.440 0.675 10 0 GCAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C[C@H]21 ZINC000581443540 1185690674 /nfs/dbraw/zinc/69/06/74/1185690674.db2.gz DOFBKVLOGFWOTD-CVEARBPZSA-N 1 2 387.440 0.675 10 0 GCAELO O=C(N[C@H]1CCOC2(CCC2)C1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000581514875 1185735326 /nfs/dbraw/zinc/73/53/26/1185735326.db2.gz MXKFGGPBTUWPEU-DLBZAZTESA-N 1 2 379.501 0.918 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000581752769 1185878561 /nfs/dbraw/zinc/87/85/61/1185878561.db2.gz SFXSMTZLYOIMQM-ICUGJSFKSA-N 1 2 391.512 0.629 10 0 GCAELO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130900768 1185992787 /nfs/dbraw/zinc/99/27/87/1185992787.db2.gz IABRHWFGXMVTBS-UHFFFAOYSA-N 1 2 394.431 0.740 10 0 GCAELO Cn1c[nH+]cc1CCC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000684490827 1186007375 /nfs/dbraw/zinc/00/73/75/1186007375.db2.gz SOTBEJHNEMRTKQ-UHFFFAOYSA-N 1 2 377.470 0.349 10 0 GCAELO CNS(=O)(=O)c1ccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)nc1 ZINC000276823949 1186092694 /nfs/dbraw/zinc/09/26/94/1186092694.db2.gz OQLPCPIWPXQRGW-AWEZNQCLSA-N 1 2 397.501 0.564 10 0 GCAELO CNS(=O)(=O)c1ccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC000276823949 1186092696 /nfs/dbraw/zinc/09/26/96/1186092696.db2.gz OQLPCPIWPXQRGW-AWEZNQCLSA-N 1 2 397.501 0.564 10 0 GCAELO COc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1CO ZINC000535707033 1186202822 /nfs/dbraw/zinc/20/28/22/1186202822.db2.gz AWBQQICSLUPSNV-AWEZNQCLSA-N 1 2 377.441 0.307 10 0 GCAELO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000151213421 1186284136 /nfs/dbraw/zinc/28/41/36/1186284136.db2.gz QZFZGAMDEXGREV-IJEWVQPXSA-N 1 2 391.497 0.952 10 0 GCAELO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151398078 1186285733 /nfs/dbraw/zinc/28/57/33/1186285733.db2.gz PLOYVJDBOSOBDT-HIFRSBDPSA-N 1 2 380.412 0.907 10 0 GCAELO CC(C)(C)OC(=O)NCCN(CCO)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000785100816 1186289289 /nfs/dbraw/zinc/28/92/89/1186289289.db2.gz GJGCPUJIRBEDDZ-UHFFFAOYSA-N 1 2 391.428 0.618 10 0 GCAELO Cc1cnc(CC[N@@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)s1 ZINC000157509851 1186362732 /nfs/dbraw/zinc/36/27/32/1186362732.db2.gz HPUMMYKBQJZNMD-UHFFFAOYSA-N 1 2 393.513 0.907 10 0 GCAELO Cc1cnc(CC[N@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)s1 ZINC000157509851 1186362737 /nfs/dbraw/zinc/36/27/37/1186362737.db2.gz HPUMMYKBQJZNMD-UHFFFAOYSA-N 1 2 393.513 0.907 10 0 GCAELO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000785113850 1186385556 /nfs/dbraw/zinc/38/55/56/1186385556.db2.gz AGMDLIMOZFXHGO-UHFFFAOYSA-N 1 2 391.472 0.490 10 0 GCAELO CN(C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1)S(C)(=O)=O ZINC000511095484 1186481707 /nfs/dbraw/zinc/48/17/07/1186481707.db2.gz KFXRPVPBFBSCBN-CYBMUJFWSA-N 1 2 383.470 0.957 10 0 GCAELO CN(C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1)S(C)(=O)=O ZINC000511095484 1186481709 /nfs/dbraw/zinc/48/17/09/1186481709.db2.gz KFXRPVPBFBSCBN-CYBMUJFWSA-N 1 2 383.470 0.957 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152402922 1186500917 /nfs/dbraw/zinc/50/09/17/1186500917.db2.gz SWUWSMYIMYJADT-BBRMVZONSA-N 1 2 380.807 0.891 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152402922 1186500924 /nfs/dbraw/zinc/50/09/24/1186500924.db2.gz SWUWSMYIMYJADT-BBRMVZONSA-N 1 2 380.807 0.891 10 0 GCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000548784305 1186753330 /nfs/dbraw/zinc/75/33/30/1186753330.db2.gz DVCPTGNGSSTFOM-HUUCEWRRSA-N 1 2 388.534 0.211 10 0 GCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000548784305 1186753333 /nfs/dbraw/zinc/75/33/33/1186753333.db2.gz DVCPTGNGSSTFOM-HUUCEWRRSA-N 1 2 388.534 0.211 10 0 GCAELO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000685358498 1187115680 /nfs/dbraw/zinc/11/56/80/1187115680.db2.gz IDYXLRLFCOWTKM-PNRVRQOCSA-N 1 2 382.468 0.985 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)Nc3nn(C)cc3C)c2)CC1 ZINC000658992339 1187832924 /nfs/dbraw/zinc/83/29/24/1187832924.db2.gz OQRKKXRWWGSTLP-UHFFFAOYSA-N 1 2 398.467 0.970 10 0 GCAELO CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)cc2C1 ZINC000659980495 1189500756 /nfs/dbraw/zinc/50/07/56/1189500756.db2.gz WFNHDNSDCCOACI-UONOGXRCSA-N 1 2 381.498 0.624 10 0 GCAELO CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@H](C)[N@H+](CCO)C[C@H]3C)cc2C1 ZINC000659980495 1189500760 /nfs/dbraw/zinc/50/07/60/1189500760.db2.gz WFNHDNSDCCOACI-UONOGXRCSA-N 1 2 381.498 0.624 10 0 GCAELO CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)cc2C1 ZINC000659980496 1189500928 /nfs/dbraw/zinc/50/09/28/1189500928.db2.gz WFNHDNSDCCOACI-ZIAGYGMSSA-N 1 2 381.498 0.624 10 0 GCAELO CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)cc2C1 ZINC000659980496 1189500931 /nfs/dbraw/zinc/50/09/31/1189500931.db2.gz WFNHDNSDCCOACI-ZIAGYGMSSA-N 1 2 381.498 0.624 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)ccc21 ZINC000416652627 1189564845 /nfs/dbraw/zinc/56/48/45/1189564845.db2.gz BPNFVNMXLOAZCQ-UONOGXRCSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H](C)[N@H+](CCO)C[C@H]3C)ccc21 ZINC000416652627 1189564848 /nfs/dbraw/zinc/56/48/48/1189564848.db2.gz BPNFVNMXLOAZCQ-UONOGXRCSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)ccc21 ZINC000416652623 1189564939 /nfs/dbraw/zinc/56/49/39/1189564939.db2.gz BPNFVNMXLOAZCQ-KBPBESRZSA-N 1 2 381.498 0.671 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)ccc21 ZINC000416652623 1189564943 /nfs/dbraw/zinc/56/49/43/1189564943.db2.gz BPNFVNMXLOAZCQ-KBPBESRZSA-N 1 2 381.498 0.671 10 0 GCAELO Cc1nc(N2CCN(C(=O)[C@@H](C)N3C(=O)NC4(CCCC4)C3=O)CC2)cc[nH+]1 ZINC000363974488 1189599894 /nfs/dbraw/zinc/59/98/94/1189599894.db2.gz OJZQJIVPZKVKLG-CYBMUJFWSA-N 1 2 386.456 0.687 10 0 GCAELO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000408112513 1189908307 /nfs/dbraw/zinc/90/83/07/1189908307.db2.gz NVHFLHUKOYTODA-IAGOWNOFSA-N 1 2 387.546 0.902 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCN=C4C3=NNN4C)c2)CC1 ZINC000613765332 1189972241 /nfs/dbraw/zinc/97/22/41/1189972241.db2.gz BKNUHWOECUCFCR-QGZVFWFLSA-N 1 2 397.483 0.514 10 0 GCAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2CCN=C3C2=NNN3C)CC1 ZINC000613766455 1189978678 /nfs/dbraw/zinc/97/86/78/1189978678.db2.gz SHQWKNJQYZBVQG-INIZCTEOSA-N 1 2 397.483 0.514 10 0 GCAELO O=C(C(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1)N1CCCC1 ZINC000272185643 1194440701 /nfs/dbraw/zinc/44/07/01/1194440701.db2.gz DRESFNAPELKOME-UHFFFAOYSA-N 1 2 382.424 0.174 10 0 GCAELO C[C@H](C[NH+]1CCOCC1)N(C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000434712841 1194861494 /nfs/dbraw/zinc/86/14/94/1194861494.db2.gz DUDOGVWCAVWGLI-CYBMUJFWSA-N 1 2 387.477 0.820 10 0 GCAELO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000516214083 1195034765 /nfs/dbraw/zinc/03/47/65/1195034765.db2.gz UCEBQLKPOZSONE-TVFCKZIOSA-N 1 2 379.501 0.774 10 0 GCAELO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000549994678 1195147064 /nfs/dbraw/zinc/14/70/64/1195147064.db2.gz AOJGOYGTGYIMKG-KZNAEPCWSA-N 1 2 375.469 0.687 10 0 GCAELO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000549994678 1195147066 /nfs/dbraw/zinc/14/70/66/1195147066.db2.gz AOJGOYGTGYIMKG-KZNAEPCWSA-N 1 2 375.469 0.687 10 0 GCAELO CC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000440979910 1195593979 /nfs/dbraw/zinc/59/39/79/1195593979.db2.gz DEAGFAHMZFDSRW-AWEZNQCLSA-N 1 2 397.859 0.633 10 0 GCAELO Cc1cccc(Cn2nccc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000190038398 1195755812 /nfs/dbraw/zinc/75/58/12/1195755812.db2.gz PRAVGJABHGRVIR-INIZCTEOSA-N 1 2 385.468 0.703 10 0 GCAELO Cc1cccc(Cn2nccc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000190038398 1195755814 /nfs/dbraw/zinc/75/58/14/1195755814.db2.gz PRAVGJABHGRVIR-INIZCTEOSA-N 1 2 385.468 0.703 10 0 GCAELO Cc1cccc(Cn2nccc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000190038377 1195756060 /nfs/dbraw/zinc/75/60/60/1195756060.db2.gz PRAVGJABHGRVIR-MRXNPFEDSA-N 1 2 385.468 0.703 10 0 GCAELO Cc1cccc(Cn2nccc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000190038377 1195756062 /nfs/dbraw/zinc/75/60/62/1195756062.db2.gz PRAVGJABHGRVIR-MRXNPFEDSA-N 1 2 385.468 0.703 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CC[N@@H+]1CCO ZINC000190047324 1195756718 /nfs/dbraw/zinc/75/67/18/1195756718.db2.gz ZCBSYYNEXYHGPM-CQSZACIVSA-N 1 2 389.431 0.534 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CC[N@H+]1CCO ZINC000190047324 1195756722 /nfs/dbraw/zinc/75/67/22/1195756722.db2.gz ZCBSYYNEXYHGPM-CQSZACIVSA-N 1 2 389.431 0.534 10 0 GCAELO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190046961 1195756729 /nfs/dbraw/zinc/75/67/29/1195756729.db2.gz KVNHHCKSXOAQAL-CQSZACIVSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190046961 1195756731 /nfs/dbraw/zinc/75/67/31/1195756731.db2.gz KVNHHCKSXOAQAL-CQSZACIVSA-N 1 2 385.468 0.953 10 0 GCAELO CNC(=O)[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCO1 ZINC000190866051 1195881925 /nfs/dbraw/zinc/88/19/25/1195881925.db2.gz SERABXSSYVHONX-INIZCTEOSA-N 1 2 380.876 0.855 10 0 GCAELO CNC(=O)[C@@H]1CN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCO1 ZINC000190866051 1195881929 /nfs/dbraw/zinc/88/19/29/1195881929.db2.gz SERABXSSYVHONX-INIZCTEOSA-N 1 2 380.876 0.855 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)CCCO)c2)CC1 ZINC000443273974 1196033837 /nfs/dbraw/zinc/03/38/37/1196033837.db2.gz PIUREWJJNLQJOI-UHFFFAOYSA-N 1 2 376.457 0.130 10 0 GCAELO Cc1cc(N2CCN(C(=O)CN(C)CC(=O)NC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000051589392 1196085966 /nfs/dbraw/zinc/08/59/66/1196085966.db2.gz QAWKVCAMTFOHRP-UHFFFAOYSA-N 1 2 388.516 0.767 10 0 GCAELO Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000113640668 1196087984 /nfs/dbraw/zinc/08/79/84/1196087984.db2.gz OLZWEDONGUDTSK-UHFFFAOYSA-N 1 2 393.451 0.889 10 0 GCAELO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000281278931 1196286629 /nfs/dbraw/zinc/28/66/29/1196286629.db2.gz RVWRKFQHEOCABK-STQMWFEESA-N 1 2 397.476 0.716 10 0 GCAELO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000281278931 1196286632 /nfs/dbraw/zinc/28/66/32/1196286632.db2.gz RVWRKFQHEOCABK-STQMWFEESA-N 1 2 397.476 0.716 10 0 GCAELO CC(=O)N(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522804987 1196335025 /nfs/dbraw/zinc/33/50/25/1196335025.db2.gz CWZZPOJPYWHYLM-MRXNPFEDSA-N 1 2 388.468 0.789 10 0 GCAELO Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)c1=O ZINC000281826639 1196338794 /nfs/dbraw/zinc/33/87/94/1196338794.db2.gz LPHKUOZZHSNLAK-WBVHZDCISA-N 1 2 389.500 0.509 10 0 GCAELO Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)c1=O ZINC000281826639 1196338798 /nfs/dbraw/zinc/33/87/98/1196338798.db2.gz LPHKUOZZHSNLAK-WBVHZDCISA-N 1 2 389.500 0.509 10 0 GCAELO CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524574797 1196607899 /nfs/dbraw/zinc/60/78/99/1196607899.db2.gz YQECVJNXPAXVSM-HOTGVXAUSA-N 1 2 381.473 0.110 10 0 GCAELO O=C(Nc1cccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1)[C@@H]1CCCO1 ZINC000525341921 1196674798 /nfs/dbraw/zinc/67/47/98/1196674798.db2.gz HOHCZTYHLOGPPR-SFHVURJKSA-N 1 2 398.467 0.854 10 0 GCAELO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000525488258 1196685096 /nfs/dbraw/zinc/68/50/96/1196685096.db2.gz IAHORNBTCSPQKW-INIZCTEOSA-N 1 2 383.514 0.912 10 0 GCAELO O=C(NCCCc1nnc2ccccn21)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000447073281 1196691573 /nfs/dbraw/zinc/69/15/73/1196691573.db2.gz SVLLLKBVBKMUDU-UHFFFAOYSA-N 1 2 398.471 1.012 10 0 GCAELO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525941582 1196728275 /nfs/dbraw/zinc/72/82/75/1196728275.db2.gz KQNLQKVCXGNQON-MGPQQGTHSA-N 1 2 377.407 0.966 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H](O)Cc3cnn(C)c3)c2)CC1 ZINC000527048560 1196760636 /nfs/dbraw/zinc/76/06/36/1196760636.db2.gz JAEZMOAUECFSPX-LJQANCHMSA-N 1 2 385.468 0.626 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC12COC2 ZINC000451133965 1196974708 /nfs/dbraw/zinc/97/47/08/1196974708.db2.gz KEIJLCPTXDYVRR-KBPBESRZSA-N 1 2 387.436 0.872 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC12COC2 ZINC000451133965 1196974709 /nfs/dbraw/zinc/97/47/09/1196974709.db2.gz KEIJLCPTXDYVRR-KBPBESRZSA-N 1 2 387.436 0.872 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC12COC2 ZINC000451138177 1196975448 /nfs/dbraw/zinc/97/54/48/1196975448.db2.gz QDFHZMZVOROSNP-RDJZCZTQSA-N 1 2 389.452 0.101 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC12COC2 ZINC000451138177 1196975454 /nfs/dbraw/zinc/97/54/54/1196975454.db2.gz QDFHZMZVOROSNP-RDJZCZTQSA-N 1 2 389.452 0.101 10 0 GCAELO Cc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)CC2)cc[nH+]1 ZINC000451395430 1196991520 /nfs/dbraw/zinc/99/15/20/1196991520.db2.gz NPWPNDMDKIXVQN-UHFFFAOYSA-N 1 2 387.465 0.815 10 0 GCAELO CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC12COC2 ZINC000453794315 1197133166 /nfs/dbraw/zinc/13/31/66/1197133166.db2.gz FKTWQMNLPWFKBV-INIZCTEOSA-N 1 2 398.419 0.849 10 0 GCAELO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1cn(-c2ccccc2)nn1 ZINC000185469377 1197214369 /nfs/dbraw/zinc/21/43/69/1197214369.db2.gz OTYOQNZSPVLHRR-OAHLLOKOSA-N 1 2 382.468 0.999 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)nn1-c1cccc(F)c1 ZINC000190042167 1197239765 /nfs/dbraw/zinc/23/97/65/1197239765.db2.gz BWKDCDVWIQQVOR-AWEZNQCLSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)nn1-c1cccc(F)c1 ZINC000190042167 1197239767 /nfs/dbraw/zinc/23/97/67/1197239767.db2.gz BWKDCDVWIQQVOR-AWEZNQCLSA-N 1 2 389.431 0.783 10 0 GCAELO O=C(C[N@@H+]1CCCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1)N1CCCC1 ZINC000122492423 1197350014 /nfs/dbraw/zinc/35/00/14/1197350014.db2.gz HMXBRQWSHNTWHK-UHFFFAOYSA-N 1 2 383.452 0.693 10 0 GCAELO O=C(C[N@H+]1CCCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1)N1CCCC1 ZINC000122492423 1197350016 /nfs/dbraw/zinc/35/00/16/1197350016.db2.gz HMXBRQWSHNTWHK-UHFFFAOYSA-N 1 2 383.452 0.693 10 0 GCAELO Cn1c(=O)c2cc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cnc2n(C)c1=O ZINC000046619985 1197364363 /nfs/dbraw/zinc/36/43/63/1197364363.db2.gz YKMXMPCULCFSDW-UHFFFAOYSA-N 1 2 394.435 0.426 10 0 GCAELO CC(=O)N1CCO[C@@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000909677015 1197458621 /nfs/dbraw/zinc/45/86/21/1197458621.db2.gz YCFDXNUBVGAMSM-MRXNPFEDSA-N 1 2 395.481 0.183 10 0 GCAELO Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261672058 1197510938 /nfs/dbraw/zinc/51/09/38/1197510938.db2.gz JGQCBFHEQXUCPX-INIZCTEOSA-N 1 2 385.453 0.607 10 0 GCAELO COCCn1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)cn1 ZINC000261789828 1197513392 /nfs/dbraw/zinc/51/33/92/1197513392.db2.gz UWTCDJMEZZPGFN-MRXNPFEDSA-N 1 2 380.470 0.873 10 0 GCAELO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000262048362 1197523496 /nfs/dbraw/zinc/52/34/96/1197523496.db2.gz PZSBAAVVEVPEDF-AWEZNQCLSA-N 1 2 378.454 0.850 10 0 GCAELO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262977101 1197539793 /nfs/dbraw/zinc/53/97/93/1197539793.db2.gz MJYZAAUKHBYQBW-AWEZNQCLSA-N 1 2 389.424 0.321 10 0 GCAELO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000672530618 1199259336 /nfs/dbraw/zinc/25/93/36/1199259336.db2.gz QCWRCWFWDTWHAK-HOCLYGCPSA-N 1 2 381.436 0.658 10 0 GCAELO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672553543 1199265419 /nfs/dbraw/zinc/26/54/19/1199265419.db2.gz DLLLUJWIFZAYRS-KRWDZBQOSA-N 1 2 398.467 0.595 10 0 GCAELO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673785015 1199941049 /nfs/dbraw/zinc/94/10/49/1199941049.db2.gz MSTFGDLBFIAFSF-GOSISDBHSA-N 1 2 388.468 0.931 10 0 GCAELO CNC(=O)c1cc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cn1C ZINC000673825410 1199949761 /nfs/dbraw/zinc/94/97/61/1199949761.db2.gz WOWMJMHVNUTOHQ-UHFFFAOYSA-N 1 2 375.454 0.862 10 0 GCAELO CC(=O)C(C)(C)CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000676475554 1200559767 /nfs/dbraw/zinc/55/97/67/1200559767.db2.gz CNNQKEXFCQDUAQ-UHFFFAOYSA-N 1 2 388.534 0.018 10 0 GCAELO C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccncc1 ZINC000676553284 1200567634 /nfs/dbraw/zinc/56/76/34/1200567634.db2.gz HHZIOOAGOVQDJK-OAHLLOKOSA-N 1 2 386.456 0.469 10 0 GCAELO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000533454059 1200874612 /nfs/dbraw/zinc/87/46/12/1200874612.db2.gz NFQJDEWCCKRFNI-ZDUSSCGKSA-N 1 2 385.415 0.848 10 0 GCAELO CCn1nc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1C1CC1 ZINC000546806930 1201052186 /nfs/dbraw/zinc/05/21/86/1201052186.db2.gz VBGIOBHRFNJQTH-UHFFFAOYSA-N 1 2 383.456 1.166 10 0 GCAELO COC(=O)C(C)(C)[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000611405751 1201235628 /nfs/dbraw/zinc/23/56/28/1201235628.db2.gz PVBRZCWXFJNDRP-OAHLLOKOSA-N 1 2 399.451 0.990 10 0 GCAELO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)C1 ZINC000611431346 1201237171 /nfs/dbraw/zinc/23/71/71/1201237171.db2.gz RPSYDCIRHUHJMT-HOCLYGCPSA-N 1 2 392.504 0.421 10 0 GCAELO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1=COCCC1 ZINC000730745835 1201462794 /nfs/dbraw/zinc/46/27/94/1201462794.db2.gz UANYSDSEYZHDTH-UHFFFAOYSA-N 1 2 380.470 0.344 10 0 GCAELO C/C(=C/C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000820540355 1201514001 /nfs/dbraw/zinc/51/40/01/1201514001.db2.gz KUDIOBMLSUZYTK-PEZBUJJGSA-N 1 2 380.489 0.298 10 0 GCAELO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165406 1201524886 /nfs/dbraw/zinc/52/48/86/1201524886.db2.gz LNFGZLQLFRAGCD-ZWKOTPCHSA-N 1 2 377.510 0.968 10 0 GCAELO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000823784283 1201608591 /nfs/dbraw/zinc/60/85/91/1201608591.db2.gz IHJLDCVQPRQZKW-YDHLFZDLSA-N 1 2 386.493 0.243 10 0 GCAELO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000823784283 1201608593 /nfs/dbraw/zinc/60/85/93/1201608593.db2.gz IHJLDCVQPRQZKW-YDHLFZDLSA-N 1 2 386.493 0.243 10 0 GCAELO O=C(CCC(=O)N1CCOC[C@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000769048360 1202042424 /nfs/dbraw/zinc/04/24/24/1202042424.db2.gz SXDZWPZCYRERQI-MRXNPFEDSA-N 1 2 376.457 0.120 10 0 GCAELO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCCn2cc[nH+]c2)C1=O ZINC000771274285 1202132537 /nfs/dbraw/zinc/13/25/37/1202132537.db2.gz JAOHMEOIXBIFFD-LJQANCHMSA-N 1 2 385.424 0.784 10 0 GCAELO Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCn2cc[nH+]c2)[C@H](C)O)cc1C ZINC000771850486 1202167005 /nfs/dbraw/zinc/16/70/05/1202167005.db2.gz LWLKUFAFLATYRN-HOCLYGCPSA-N 1 2 381.454 0.771 10 0 GCAELO CC(=O)c1ccc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(S(N)(=O)=O)c1 ZINC000804613359 1205519008 /nfs/dbraw/zinc/51/90/08/1205519008.db2.gz GRLKAGMUAYQQAR-UHFFFAOYSA-N 1 2 375.454 0.962 10 0 GCAELO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCO1 ZINC000806666085 1205563520 /nfs/dbraw/zinc/56/35/20/1205563520.db2.gz SONIRWDEDPCNJD-LSDHHAIUSA-N 1 2 388.534 0.211 10 0 GCAELO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCO1 ZINC000806666085 1205563522 /nfs/dbraw/zinc/56/35/22/1205563522.db2.gz SONIRWDEDPCNJD-LSDHHAIUSA-N 1 2 388.534 0.211 10 0 GCAELO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCc3cn4c([nH+]3)CCCC4)cnc21 ZINC000264107926 231044196 /nfs/dbraw/zinc/04/41/96/231044196.db2.gz SMHARDDYFCGMPZ-UHFFFAOYSA-N 1 2 390.425 0.045 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C[C@H]21 ZINC000286475184 530150059 /nfs/dbraw/zinc/15/00/59/530150059.db2.gz SDPHEZVTNXGZAE-NXEZZACHSA-N 1 2 379.891 0.594 10 0 GCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C[C@H]21 ZINC000286475184 530150061 /nfs/dbraw/zinc/15/00/61/530150061.db2.gz SDPHEZVTNXGZAE-NXEZZACHSA-N 1 2 379.891 0.594 10 0 GCAELO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000266382370 530200508 /nfs/dbraw/zinc/20/05/08/530200508.db2.gz TXGKURSOBDHNLL-RDBSUJKOSA-N 1 2 387.527 0.594 10 0 GCAELO O=C(Nc1cncc(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000154259995 530275304 /nfs/dbraw/zinc/27/53/04/530275304.db2.gz FICRECLJXJAXBR-CYBMUJFWSA-N 1 2 383.246 0.716 10 0 GCAELO O=S(=O)(N1CCOCC1)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000329546879 530289264 /nfs/dbraw/zinc/28/92/64/530289264.db2.gz DNSCZURWWSWZMY-UHFFFAOYSA-N 1 2 375.535 0.920 10 0 GCAELO O=C(Cc1cc(Br)ccc1F)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132564637 530290870 /nfs/dbraw/zinc/29/08/70/530290870.db2.gz VQWZSYQBIZKGJK-CYBMUJFWSA-N 1 2 375.238 0.940 10 0 GCAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000119855672 530268653 /nfs/dbraw/zinc/26/86/53/530268653.db2.gz SOBVHZDWGRJISC-GFCCVEGCSA-N 1 2 384.234 0.742 10 0 GCAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000119855672 530268655 /nfs/dbraw/zinc/26/86/55/530268655.db2.gz SOBVHZDWGRJISC-GFCCVEGCSA-N 1 2 384.234 0.742 10 0 GCAELO C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1Br ZINC000120538060 530270017 /nfs/dbraw/zinc/27/00/17/530270017.db2.gz VBPHLSGJKLBSLO-VIFPVBQESA-N 1 2 395.257 0.962 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)CC1 ZINC000569978297 530313728 /nfs/dbraw/zinc/31/37/28/530313728.db2.gz DINMSFFMSDJGTQ-GHMZBOCLSA-N 1 2 384.278 0.969 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000180257049 530369330 /nfs/dbraw/zinc/36/93/30/530369330.db2.gz IUNWFCAJALKYNJ-RISCZKNCSA-N 1 2 397.273 0.962 10 0 GCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1[nH]nc2ccc(Br)cc21 ZINC000179477266 530366739 /nfs/dbraw/zinc/36/67/39/530366739.db2.gz YOMTZSPDEUSNQC-LLVKDONJSA-N 1 2 383.246 0.748 10 0 GCAELO C[C@H](C(F)(F)F)S(=O)(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000184158489 530375392 /nfs/dbraw/zinc/37/53/92/530375392.db2.gz ZOSPZFPAHCXWKG-SECBINFHSA-N 1 2 378.380 0.766 10 0 GCAELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185931647 530377787 /nfs/dbraw/zinc/37/77/87/530377787.db2.gz LREGQBZWOLRHAX-LBPRGKRZSA-N 1 2 391.287 0.993 10 0 GCAELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185931647 530377790 /nfs/dbraw/zinc/37/77/90/530377790.db2.gz LREGQBZWOLRHAX-LBPRGKRZSA-N 1 2 391.287 0.993 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@H]21 ZINC000284200077 530384037 /nfs/dbraw/zinc/38/40/37/530384037.db2.gz TWYHKGGUBSQVNQ-GHMZBOCLSA-N 1 2 386.246 0.703 10 0 GCAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@H]21 ZINC000284200077 530384039 /nfs/dbraw/zinc/38/40/39/530384039.db2.gz TWYHKGGUBSQVNQ-GHMZBOCLSA-N 1 2 386.246 0.703 10 0 GCAELO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)c(Br)n1 ZINC000181443476 530371000 /nfs/dbraw/zinc/37/10/00/530371000.db2.gz KFPHNPRGNBQESC-NSHDSACASA-N 1 2 385.262 0.928 10 0 GCAELO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)[C@H]2C1 ZINC000408147124 530411578 /nfs/dbraw/zinc/41/15/78/530411578.db2.gz ZVOPIDYIBZWWIK-RISCZKNCSA-N 1 2 391.490 0.912 10 0 GCAELO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)[C@H]2C1 ZINC000408147124 530411579 /nfs/dbraw/zinc/41/15/79/530411579.db2.gz ZVOPIDYIBZWWIK-RISCZKNCSA-N 1 2 391.490 0.912 10 0 GCAELO NS(=O)(=O)c1cc(Br)cnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000408157026 530417882 /nfs/dbraw/zinc/41/78/82/530417882.db2.gz GGFGURCDEYMYRF-LLVKDONJSA-N 1 2 391.291 0.402 10 0 GCAELO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000111634160 530498439 /nfs/dbraw/zinc/49/84/39/530498439.db2.gz ZTNFTYFNWKIOBN-RYUDHWBXSA-N 1 2 375.441 0.983 10 0 GCAELO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000111634160 530498440 /nfs/dbraw/zinc/49/84/40/530498440.db2.gz ZTNFTYFNWKIOBN-RYUDHWBXSA-N 1 2 375.441 0.983 10 0 GCAELO CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000330191476 530628923 /nfs/dbraw/zinc/62/89/23/530628923.db2.gz NDRZETIVPURBIQ-RDJZCZTQSA-N 1 2 375.535 0.760 10 0 GCAELO CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000330191477 530629365 /nfs/dbraw/zinc/62/93/65/530629365.db2.gz NDRZETIVPURBIQ-WBVHZDCISA-N 1 2 375.535 0.760 10 0 GCAELO NS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000671243776 530674551 /nfs/dbraw/zinc/67/45/51/530674551.db2.gz YBFUFPACHBWHEL-CQSZACIVSA-N 1 2 387.527 0.281 10 0 GCAELO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000470214041 530692868 /nfs/dbraw/zinc/69/28/68/530692868.db2.gz MKFSJLSYXKHQSI-NSHDSACASA-N 1 2 389.499 0.081 10 0 GCAELO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000470214041 530692870 /nfs/dbraw/zinc/69/28/70/530692870.db2.gz MKFSJLSYXKHQSI-NSHDSACASA-N 1 2 389.499 0.081 10 0 GCAELO Cc1nc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000269718676 530824886 /nfs/dbraw/zinc/82/48/86/530824886.db2.gz STHDYHODWLBCRX-UHFFFAOYSA-N 1 2 387.531 0.010 10 0 GCAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000178962734 530852335 /nfs/dbraw/zinc/85/23/35/530852335.db2.gz JWESZLNCJKNBQK-LLVKDONJSA-N 1 2 377.495 0.926 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180251846 530853570 /nfs/dbraw/zinc/85/35/70/530853570.db2.gz UGQAWHPUWCYPMR-AAEUAGOBSA-N 1 2 397.273 0.962 10 0 GCAELO C[C@@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000493936687 530841112 /nfs/dbraw/zinc/84/11/12/530841112.db2.gz ZAESKJJNRVLULZ-KGLIPLIRSA-N 1 2 376.523 0.066 10 0 GCAELO O=C(Cc1ccc(F)c(Br)c1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000125499554 530921128 /nfs/dbraw/zinc/92/11/28/530921128.db2.gz SKYHDHJCQYGKHL-LBPRGKRZSA-N 1 2 375.238 0.940 10 0 GCAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)cs1 ZINC000171815813 530960797 /nfs/dbraw/zinc/96/07/97/530960797.db2.gz IEOKBUORPUJXGQ-HNNXBMFYSA-N 1 2 386.543 0.910 10 0 GCAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)cs1 ZINC000171815813 530960799 /nfs/dbraw/zinc/96/07/99/530960799.db2.gz IEOKBUORPUJXGQ-HNNXBMFYSA-N 1 2 386.543 0.910 10 0 GCAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194095383 530949784 /nfs/dbraw/zinc/94/97/84/530949784.db2.gz FDLUWYVSVIMVEU-UKRRQHHQSA-N 1 2 385.258 0.562 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[N@@H+](C)C[C@@H]3CO)c(Cl)cc21 ZINC000632575892 530975979 /nfs/dbraw/zinc/97/59/79/530975979.db2.gz DBULBSTYCRCGSH-CYBMUJFWSA-N 1 2 387.889 0.546 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[N@H+](C)C[C@@H]3CO)c(Cl)cc21 ZINC000632575892 530975982 /nfs/dbraw/zinc/97/59/82/530975982.db2.gz DBULBSTYCRCGSH-CYBMUJFWSA-N 1 2 387.889 0.546 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[N@@H+](C)C[C@H]3CO)c(Cl)cc21 ZINC000632575893 530976121 /nfs/dbraw/zinc/97/61/21/530976121.db2.gz DBULBSTYCRCGSH-ZDUSSCGKSA-N 1 2 387.889 0.546 10 0 GCAELO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[N@H+](C)C[C@H]3CO)c(Cl)cc21 ZINC000632575893 530976122 /nfs/dbraw/zinc/97/61/22/530976122.db2.gz DBULBSTYCRCGSH-ZDUSSCGKSA-N 1 2 387.889 0.546 10 0 GCAELO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261804733 530990459 /nfs/dbraw/zinc/99/04/59/530990459.db2.gz WGHGGCYHJIRXSP-AWEZNQCLSA-N 1 2 381.479 0.820 10 0 GCAELO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261771486 530990492 /nfs/dbraw/zinc/99/04/92/530990492.db2.gz SFMRDSGNCLULFJ-MRXNPFEDSA-N 1 2 381.479 0.820 10 0 GCAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@@H]21 ZINC000333163530 531056002 /nfs/dbraw/zinc/05/60/02/531056002.db2.gz HUIIUDOSWBDNSM-WDEREUQCSA-N 1 2 381.234 1.039 10 0 GCAELO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@@H]21 ZINC000333163530 531056006 /nfs/dbraw/zinc/05/60/06/531056006.db2.gz HUIIUDOSWBDNSM-WDEREUQCSA-N 1 2 381.234 1.039 10 0 GCAELO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263244750 531109240 /nfs/dbraw/zinc/10/92/40/531109240.db2.gz PDEFANBQJFGAOH-JTQLQIEISA-N 1 2 393.378 0.799 10 0 GCAELO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679824276 531157996 /nfs/dbraw/zinc/15/79/96/531157996.db2.gz OYKWELZVCONHGC-OAHLLOKOSA-N 1 2 375.516 0.832 10 0 GCAELO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679824276 531157999 /nfs/dbraw/zinc/15/79/99/531157999.db2.gz OYKWELZVCONHGC-OAHLLOKOSA-N 1 2 375.516 0.832 10 0 GCAELO CN(C)C(=O)C[NH+]1CCC2(CC1)CN(S(C)(=O)=O)Cc1ccccc1O2 ZINC000012365550 221185072 /nfs/dbraw/zinc/18/50/72/221185072.db2.gz BKJZWVOHGMAHAA-UHFFFAOYSA-N 1 2 381.498 0.763 10 0 GCAELO CCCCS(=O)(=O)N1CCN(Cc2[nH]c[nH+]c2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000077390595 222281546 /nfs/dbraw/zinc/28/15/46/222281546.db2.gz CIEQYHHTDXTTEL-CABCVRRESA-N 1 2 390.531 0.131 10 0 GCAELO CC(C)N(Cc1[nH+]ccn1C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccnc1 ZINC000011663532 570270969 /nfs/dbraw/zinc/27/09/69/570270969.db2.gz CGJNFASFOCXWAG-QGZVFWFLSA-N 1 2 384.484 0.943 10 0 GCAELO CC(=O)N[C@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)c1cccc(Br)c1 ZINC000913558856 639638683 /nfs/dbraw/zinc/63/86/83/639638683.db2.gz ZDZGVMYKVDEOFY-GJZGRUSLSA-N 1 2 384.274 0.761 10 0 GCAELO CC(=O)N[C@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)c1cccc(Br)c1 ZINC000913558856 639638688 /nfs/dbraw/zinc/63/86/88/639638688.db2.gz ZDZGVMYKVDEOFY-GJZGRUSLSA-N 1 2 384.274 0.761 10 0 GCAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1cnn(C)c1I ZINC000709338667 640130065 /nfs/dbraw/zinc/13/00/65/640130065.db2.gz KSNALFATZGFFGC-SECBINFHSA-N 1 2 378.214 0.427 10 0 GCAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnn(C)c1I ZINC000709338667 640130069 /nfs/dbraw/zinc/13/00/69/640130069.db2.gz KSNALFATZGFFGC-SECBINFHSA-N 1 2 378.214 0.427 10 0 GCAELO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773131939 640857346 /nfs/dbraw/zinc/85/73/46/640857346.db2.gz MTFWAALQZVOZNX-GFCCVEGCSA-N 1 2 386.499 0.997 10 0 GCAELO CC(=O)[C@](C)(O)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852532578 642767119 /nfs/dbraw/zinc/76/71/19/642767119.db2.gz MWHHQJORXBXKIE-GFCCVEGCSA-N 1 2 378.214 0.860 10 0 GCAELO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000549576733 1192193367 /nfs/dbraw/zinc/19/33/67/1192193367.db2.gz WQXNQARTCUCAOA-UHFFFAOYSA-N 1 2 377.426 0.402 10 0 GCAELO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cncs2)CC3)CC1 ZINC000683139613 1184165809 /nfs/dbraw/zinc/16/58/09/1184165809.db2.gz YMDZNSYJMZVSEA-ZDUSSCGKSA-N 1 2 388.497 0.720 10 0 GCAELO C[C@H](NC(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000276681794 1185960699 /nfs/dbraw/zinc/96/06/99/1185960699.db2.gz ZTZILVWHTVREMC-YESZJQIVSA-N 1 2 376.505 0.802 10 0 GCAELO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](NC(N)=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000535681284 1186199066 /nfs/dbraw/zinc/19/90/66/1186199066.db2.gz RZFMEHAFCQTNCK-ZIAGYGMSSA-N 1 2 386.456 0.554 10 0 GCAELO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](NC(N)=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000535681284 1186199071 /nfs/dbraw/zinc/19/90/71/1186199071.db2.gz RZFMEHAFCQTNCK-ZIAGYGMSSA-N 1 2 386.456 0.554 10 0 GCAELO C[C@H](C(=O)NC[C@@H](O)Cn1ccnn1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000458129982 1186205169 /nfs/dbraw/zinc/20/51/69/1186205169.db2.gz FKBVVVGAKYJWHA-RHSMWYFYSA-N 1 2 376.436 0.105 10 0 GCAELO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151398127 1186285619 /nfs/dbraw/zinc/28/56/19/1186285619.db2.gz PLOYVJDBOSOBDT-ZFWWWQNUSA-N 1 2 380.412 0.907 10 0 GCAELO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000151398274 1186285945 /nfs/dbraw/zinc/28/59/45/1186285945.db2.gz PLOYVJDBOSOBDT-DZGCQCFKSA-N 1 2 380.412 0.907 10 0 GCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000151358669 1186286493 /nfs/dbraw/zinc/28/64/93/1186286493.db2.gz NWYDMIHQKJAUOI-CABCVRRESA-N 1 2 398.454 0.878 10 0 GCAELO CN1CC[NH+](Cc2cccc(NC(=O)[C@](C)(O)Cn3ccccc3=O)c2)CC1 ZINC000548716306 1186478300 /nfs/dbraw/zinc/47/83/00/1186478300.db2.gz UBOLTUNHHKVWMN-OAQYLSRUSA-N 1 2 384.480 0.985 10 0 GCAELO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000119850624 1186546195 /nfs/dbraw/zinc/54/61/95/1186546195.db2.gz FGJZIELDGJSGMZ-SFHVURJKSA-N 1 2 386.496 0.658 10 0 GCAELO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000119850624 1186546198 /nfs/dbraw/zinc/54/61/98/1186546198.db2.gz FGJZIELDGJSGMZ-SFHVURJKSA-N 1 2 386.496 0.658 10 0 GCAELO Cc1cc(N2CC[NH+]([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n2ncnc2n1 ZINC000159054652 1187007698 /nfs/dbraw/zinc/00/76/98/1187007698.db2.gz GGTLJSIZPZGTPP-INIZCTEOSA-N 1 2 395.471 0.484 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000685406689 1187123157 /nfs/dbraw/zinc/12/31/57/1187123157.db2.gz KZYNMCVXARWKED-HMDCTGQHSA-N 1 2 377.485 0.239 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000685408074 1187124514 /nfs/dbraw/zinc/12/45/14/1187124514.db2.gz UMOTVIIBUONJBO-ILOCAZANSA-N 1 2 391.512 0.629 10 0 GCAELO Cc1cc(N2CCC[C@H]([NH+]3CCN(c4ncnc5nc[nH]c54)CC3)C2=O)n(C)n1 ZINC000472475548 1187624032 /nfs/dbraw/zinc/62/40/32/1187624032.db2.gz GYKIQVPNDFIULS-AWEZNQCLSA-N 1 2 395.471 0.712 10 0 GCAELO NC(=O)C[C@H]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000376617003 1188010938 /nfs/dbraw/zinc/01/09/38/1188010938.db2.gz CBASJBQHIMDWQD-QGZVFWFLSA-N 1 2 390.484 0.805 10 0 GCAELO Cc1nc(N2CCN(C(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)CC2)cc[nH+]1 ZINC000363974489 1189600228 /nfs/dbraw/zinc/60/02/28/1189600228.db2.gz OJZQJIVPZKVKLG-ZDUSSCGKSA-N 1 2 386.456 0.687 10 0 GCAELO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247178502 1193733783 /nfs/dbraw/zinc/73/37/83/1193733783.db2.gz ROYJYHZCBTURMA-DZGCQCFKSA-N 1 2 378.498 0.839 10 0 GCAELO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247178502 1193733787 /nfs/dbraw/zinc/73/37/87/1193733787.db2.gz ROYJYHZCBTURMA-DZGCQCFKSA-N 1 2 378.498 0.839 10 0 GCAELO c1cn(C[C@@H]2CCN(c3cc(N4CC[C@@H](Cn5ccnn5)C4)[nH+]cn3)C2)nn1 ZINC000664170058 1193934795 /nfs/dbraw/zinc/93/47/95/1193934795.db2.gz ZYTMEEFDFKJFLW-HZPDHXFCSA-N 1 2 380.460 0.713 10 0 GCAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000280018056 1193974119 /nfs/dbraw/zinc/97/41/19/1193974119.db2.gz QORARIMRNFUEJY-PMPSAXMXSA-N 1 2 380.468 0.756 10 0 GCAELO Cn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2cc(F)ccc21 ZINC000366606038 1194868371 /nfs/dbraw/zinc/86/83/71/1194868371.db2.gz FKDOQHASNRFDGT-HNNXBMFYSA-N 1 2 388.443 0.980 10 0 GCAELO COC[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000437396916 1195105927 /nfs/dbraw/zinc/10/59/27/1195105927.db2.gz YHKNEUUJUGIGFF-AEFFLSMTSA-N 1 2 393.459 0.810 10 0 GCAELO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000517974100 1195233742 /nfs/dbraw/zinc/23/37/42/1195233742.db2.gz VCFXJOPYEJEIBO-CQSZACIVSA-N 1 2 392.481 0.439 10 0 GCAELO C[C@@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000112114157 1195463651 /nfs/dbraw/zinc/46/36/51/1195463651.db2.gz OIOWSGPKEGZYLQ-KRWDZBQOSA-N 1 2 394.541 0.502 10 0 GCAELO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@H+](C)CCCO)nc(=O)c12 ZINC000440938994 1195590219 /nfs/dbraw/zinc/59/02/19/1195590219.db2.gz BAGQBRYCDVRRNV-UHFFFAOYSA-N 1 2 383.426 0.301 10 0 GCAELO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@@H+](C)CCCO)nc(=O)c12 ZINC000440938994 1195590223 /nfs/dbraw/zinc/59/02/23/1195590223.db2.gz BAGQBRYCDVRRNV-UHFFFAOYSA-N 1 2 383.426 0.301 10 0 GCAELO C[C@H](c1cccc(NC(=O)C(=O)N2CC(n3ccnn3)C2)c1)[NH+]1CCOCC1 ZINC000441317577 1195622182 /nfs/dbraw/zinc/62/21/82/1195622182.db2.gz XVORKKHZKHSCIZ-CQSZACIVSA-N 1 2 384.440 0.693 10 0 GCAELO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC[C@@H](O)Cn1ccnn1 ZINC000458890494 1195656163 /nfs/dbraw/zinc/65/61/63/1195656163.db2.gz UGZZIIYDNVSQAA-GFCCVEGCSA-N 1 2 375.820 0.978 10 0 GCAELO Cc1cc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1C ZINC000328865567 1195672057 /nfs/dbraw/zinc/67/20/57/1195672057.db2.gz WLVOEOJZNCBTHH-HNNXBMFYSA-N 1 2 399.499 0.305 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CS(=O)(=O)N(C)C)c2)CC1 ZINC000331268457 1195724746 /nfs/dbraw/zinc/72/47/46/1195724746.db2.gz DPAWZLPJDDFHMH-UHFFFAOYSA-N 1 2 382.486 0.181 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n(-c2ccccc2F)n1 ZINC000190034630 1195755802 /nfs/dbraw/zinc/75/58/02/1195755802.db2.gz RVLUWGUNWJBIGO-AWEZNQCLSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)n(-c2ccccc2F)n1 ZINC000190034630 1195755805 /nfs/dbraw/zinc/75/58/05/1195755805.db2.gz RVLUWGUNWJBIGO-AWEZNQCLSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)c2)n1 ZINC000190045500 1195756045 /nfs/dbraw/zinc/75/60/45/1195756045.db2.gz RQDWJHILQOBXHO-MRXNPFEDSA-N 1 2 385.468 0.953 10 0 GCAELO Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)c2)n1 ZINC000190045500 1195756047 /nfs/dbraw/zinc/75/60/47/1195756047.db2.gz RQDWJHILQOBXHO-MRXNPFEDSA-N 1 2 385.468 0.953 10 0 GCAELO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 ZINC000520932042 1195939086 /nfs/dbraw/zinc/93/90/86/1195939086.db2.gz YJWCRVNOMPKCFL-OAHLLOKOSA-N 1 2 395.481 0.352 10 0 GCAELO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000522023279 1196035312 /nfs/dbraw/zinc/03/53/12/1196035312.db2.gz IHOFTKSGWYPSGE-QZTJIDSGSA-N 1 2 394.431 0.983 10 0 GCAELO CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000550548996 1196083937 /nfs/dbraw/zinc/08/39/37/1196083937.db2.gz YIZVQBAYRGYPQX-HNNXBMFYSA-N 1 2 383.452 0.627 10 0 GCAELO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000329219935 1196177610 /nfs/dbraw/zinc/17/76/10/1196177610.db2.gz AEIXYIZAPSEYIW-DLBZAZTESA-N 1 2 387.546 0.761 10 0 GCAELO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329596501 1196207774 /nfs/dbraw/zinc/20/77/74/1196207774.db2.gz VTXINFVSAOKJGR-JKSUJKDBSA-N 1 2 395.525 0.796 10 0 GCAELO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329596501 1196207777 /nfs/dbraw/zinc/20/77/77/1196207777.db2.gz VTXINFVSAOKJGR-JKSUJKDBSA-N 1 2 395.525 0.796 10 0 GCAELO CCOC(=O)[C@](C)(O)C[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000475040190 1196230359 /nfs/dbraw/zinc/23/03/59/1196230359.db2.gz RSGPLXVOGCYQEI-QGZVFWFLSA-N 1 2 385.486 0.031 10 0 GCAELO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CN1CCC(=O)NC1=O ZINC000281160195 1196281697 /nfs/dbraw/zinc/28/16/97/1196281697.db2.gz IZFNLTMOWJWUSV-STQMWFEESA-N 1 2 397.476 0.764 10 0 GCAELO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CN1CCC(=O)NC1=O ZINC000281160195 1196281700 /nfs/dbraw/zinc/28/17/00/1196281700.db2.gz IZFNLTMOWJWUSV-STQMWFEESA-N 1 2 397.476 0.764 10 0 GCAELO Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)c1=O ZINC000281826636 1196338388 /nfs/dbraw/zinc/33/83/88/1196338388.db2.gz LPHKUOZZHSNLAK-RDJZCZTQSA-N 1 2 389.500 0.509 10 0 GCAELO Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)c1=O ZINC000281826636 1196338392 /nfs/dbraw/zinc/33/83/92/1196338392.db2.gz LPHKUOZZHSNLAK-RDJZCZTQSA-N 1 2 389.500 0.509 10 0 GCAELO CCO[C@@H]1C[C@@](NCC(=O)NCC(C)(C)[NH+]2CCOCC2)(C(=O)OC)C1(C)C ZINC000444785163 1196522450 /nfs/dbraw/zinc/52/24/50/1196522450.db2.gz PWNVUEDLXVIZIX-FOIQADDNSA-N 1 2 399.532 0.550 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCc3ccnn3C)c2)CC1 ZINC000445042839 1196540268 /nfs/dbraw/zinc/54/02/68/1196540268.db2.gz UHFQLKAKUCRRAV-UHFFFAOYSA-N 1 2 398.467 0.339 10 0 GCAELO Cc1nc(N2CCN(C(=O)C(=O)Nc3cnn(C)c3C(F)(F)F)CC2)cc[nH+]1 ZINC000445123241 1196551884 /nfs/dbraw/zinc/55/18/84/1196551884.db2.gz WAJOGCDVZOJVOC-UHFFFAOYSA-N 1 2 397.361 0.825 10 0 GCAELO O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000543910718 1196572084 /nfs/dbraw/zinc/57/20/84/1196572084.db2.gz SOHBLYHOUPCOJK-UHFFFAOYSA-N 1 2 396.494 0.913 10 0 GCAELO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000524274218 1196585438 /nfs/dbraw/zinc/58/54/38/1196585438.db2.gz OQKMDVCCJMACSB-HNNXBMFYSA-N 1 2 399.517 0.787 10 0 GCAELO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000524274219 1196585714 /nfs/dbraw/zinc/58/57/14/1196585714.db2.gz OQKMDVCCJMACSB-OAHLLOKOSA-N 1 2 399.517 0.787 10 0 GCAELO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000525488259 1196685298 /nfs/dbraw/zinc/68/52/98/1196685298.db2.gz IAHORNBTCSPQKW-MRXNPFEDSA-N 1 2 383.514 0.912 10 0 GCAELO CCOC(=O)[C@@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC12COC2 ZINC000449356976 1196870444 /nfs/dbraw/zinc/87/04/44/1196870444.db2.gz DCIRDDXUGUCHLS-INIZCTEOSA-N 1 2 375.473 0.240 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)CC12COC2 ZINC000449356976 1196870449 /nfs/dbraw/zinc/87/04/49/1196870449.db2.gz DCIRDDXUGUCHLS-INIZCTEOSA-N 1 2 375.473 0.240 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)CC12COC2 ZINC000449356976 1196870454 /nfs/dbraw/zinc/87/04/54/1196870454.db2.gz DCIRDDXUGUCHLS-INIZCTEOSA-N 1 2 375.473 0.240 10 0 GCAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000168515222 1196880832 /nfs/dbraw/zinc/88/08/32/1196880832.db2.gz DZETTYYAZDDFFO-AWEZNQCLSA-N 1 2 394.439 0.816 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC12COC2 ZINC000451133966 1196974836 /nfs/dbraw/zinc/97/48/36/1196974836.db2.gz KEIJLCPTXDYVRR-KGLIPLIRSA-N 1 2 387.436 0.872 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC12COC2 ZINC000451133966 1196974840 /nfs/dbraw/zinc/97/48/40/1196974840.db2.gz KEIJLCPTXDYVRR-KGLIPLIRSA-N 1 2 387.436 0.872 10 0 GCAELO Cc1nc(CN2CCN(C(=O)c3cccc(CN4CC[NH+](C)CC4)c3)CC2)n[nH]1 ZINC000530585410 1196998070 /nfs/dbraw/zinc/99/80/70/1196998070.db2.gz BDACXENKGLKRBY-UHFFFAOYSA-N 1 2 397.527 0.819 10 0 GCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000530722798 1197012197 /nfs/dbraw/zinc/01/21/97/1197012197.db2.gz KSVVMWLPQKRZKZ-GOSISDBHSA-N 1 2 378.473 0.680 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc(C(N)=O)c1 ZINC000453687649 1197120238 /nfs/dbraw/zinc/12/02/38/1197120238.db2.gz KSRRICJEORNBGC-UHFFFAOYSA-N 1 2 382.424 0.480 10 0 GCAELO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(=O)[nH]c1=O ZINC000180858715 1197202334 /nfs/dbraw/zinc/20/23/34/1197202334.db2.gz RPWCCTMMMBQPCY-LLVKDONJSA-N 1 2 387.444 0.127 10 0 GCAELO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(=O)[nH]c1=O ZINC000180858715 1197202339 /nfs/dbraw/zinc/20/23/39/1197202339.db2.gz RPWCCTMMMBQPCY-LLVKDONJSA-N 1 2 387.444 0.127 10 0 GCAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000189709246 1197238087 /nfs/dbraw/zinc/23/80/87/1197238087.db2.gz GVNBZRFNGNUKAW-UHFFFAOYSA-N 1 2 380.452 0.812 10 0 GCAELO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1csc(C(F)(F)F)n1 ZINC000189899297 1197239038 /nfs/dbraw/zinc/23/90/38/1197239038.db2.gz IFYXLSWOSBTHIR-JTQLQIEISA-N 1 2 392.403 0.825 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)CC[N@@H+]1CCO ZINC000190029047 1197239772 /nfs/dbraw/zinc/23/97/72/1197239772.db2.gz FQLVXCICASFFDW-CYBMUJFWSA-N 1 2 375.404 0.475 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)CC[N@H+]1CCO ZINC000190029047 1197239774 /nfs/dbraw/zinc/23/97/74/1197239774.db2.gz FQLVXCICASFFDW-CYBMUJFWSA-N 1 2 375.404 0.475 10 0 GCAELO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cnn1-c1ccccc1F ZINC000190049855 1197240291 /nfs/dbraw/zinc/24/02/91/1197240291.db2.gz ALZRDKJLWWLZER-ZDUSSCGKSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cnn1-c1ccccc1F ZINC000190049855 1197240293 /nfs/dbraw/zinc/24/02/93/1197240293.db2.gz ALZRDKJLWWLZER-ZDUSSCGKSA-N 1 2 389.431 0.783 10 0 GCAELO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN1c1nccs1 ZINC000332889614 1197345966 /nfs/dbraw/zinc/34/59/66/1197345966.db2.gz SFEQFHVEHWWYTJ-HUUCEWRRSA-N 1 2 393.513 0.161 10 0 GCAELO CC(C)NC(=O)CN1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000048229575 1197371502 /nfs/dbraw/zinc/37/15/02/1197371502.db2.gz VSZRUAVDSTVKDD-UHFFFAOYSA-N 1 2 390.532 0.301 10 0 GCAELO CCOC(=O)CN1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000195188136 1197400918 /nfs/dbraw/zinc/40/09/18/1197400918.db2.gz QMFCDJNNIUVDLV-UHFFFAOYSA-N 1 2 391.516 0.730 10 0 GCAELO O=C(c1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c[nH]1)N1CCCC1 ZINC000261612539 1197510501 /nfs/dbraw/zinc/51/05/01/1197510501.db2.gz CFUMETWTFMEZBO-KRWDZBQOSA-N 1 2 389.481 0.981 10 0 GCAELO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261671764 1197511106 /nfs/dbraw/zinc/51/11/06/1197511106.db2.gz JCJIVJSCJRKOSB-MRXNPFEDSA-N 1 2 393.490 0.747 10 0 GCAELO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000261712426 1197512579 /nfs/dbraw/zinc/51/25/79/1197512579.db2.gz PREHVLQMZIBOFP-LBPRGKRZSA-N 1 2 382.442 0.752 10 0 GCAELO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000261974165 1197521049 /nfs/dbraw/zinc/52/10/49/1197521049.db2.gz IOMCZEVQDHEXBC-CQSZACIVSA-N 1 2 396.494 0.085 10 0 GCAELO COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cc1OC ZINC000262953467 1197539355 /nfs/dbraw/zinc/53/93/55/1197539355.db2.gz JXQIVXBFKQENSA-ZDUSSCGKSA-N 1 2 383.395 0.985 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@]2(CCCOC2)O1 ZINC000672138845 1199132113 /nfs/dbraw/zinc/13/21/13/1199132113.db2.gz DVVZTTPEEHAAQJ-KUHUBIRLSA-N 1 2 376.457 0.632 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000673484182 1199700822 /nfs/dbraw/zinc/70/08/22/1199700822.db2.gz OGALPYQDJCNPQG-PDOICOKGSA-N 1 2 395.500 0.010 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CCCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000673481393 1199702405 /nfs/dbraw/zinc/70/24/05/1199702405.db2.gz MPCHQLKOCKFBOV-IXDOHACOSA-N 1 2 379.501 0.774 10 0 GCAELO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000674501787 1200256955 /nfs/dbraw/zinc/25/69/55/1200256955.db2.gz RAKLFSORIOUOLN-KRWDZBQOSA-N 1 2 395.463 0.862 10 0 GCAELO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000674501787 1200256957 /nfs/dbraw/zinc/25/69/57/1200256957.db2.gz RAKLFSORIOUOLN-KRWDZBQOSA-N 1 2 395.463 0.862 10 0 GCAELO CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000544162528 1200663413 /nfs/dbraw/zinc/66/34/13/1200663413.db2.gz SQEYUSGBWLCCBL-INIZCTEOSA-N 1 2 375.473 0.969 10 0 GCAELO CC(C)(C)n1cnc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000542345252 1200681547 /nfs/dbraw/zinc/68/15/47/1200681547.db2.gz GCFCNEHYPIYBBW-KBPBESRZSA-N 1 2 378.477 0.731 10 0 GCAELO Cc1nc(NCc2cccc(C(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)c2)cc[nH+]1 ZINC000569661361 1201038394 /nfs/dbraw/zinc/03/83/94/1201038394.db2.gz JFLUSAQGUXQPQQ-HXUWFJFHSA-N 1 2 394.435 1.211 10 0 GCAELO CCc1cc(C)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000134927739 1201185310 /nfs/dbraw/zinc/18/53/10/1201185310.db2.gz HCCNVEPCLYKJFW-UHFFFAOYSA-N 1 2 384.502 0.400 10 0 GCAELO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)[C@H]1CN(C)CC[N@@H+]1C ZINC000823784282 1201608869 /nfs/dbraw/zinc/60/88/69/1201608869.db2.gz IHJLDCVQPRQZKW-VNHYZAJKSA-N 1 2 386.493 0.243 10 0 GCAELO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)[C@H]1CN(C)CC[N@H+]1C ZINC000823784282 1201608872 /nfs/dbraw/zinc/60/88/72/1201608872.db2.gz IHJLDCVQPRQZKW-VNHYZAJKSA-N 1 2 386.493 0.243 10 0 GCAELO CCNS(=O)(=O)CCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743602062 1201821203 /nfs/dbraw/zinc/82/12/03/1201821203.db2.gz CTIIRZNADZVODN-HNNXBMFYSA-N 1 2 379.486 0.942 10 0 GCAELO O=C(CN1CCOC[C@@H]1CCO)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000767588976 1201979738 /nfs/dbraw/zinc/97/97/38/1201979738.db2.gz MFYVQYAJOLWIOX-IBGZPJMESA-N 1 2 389.496 0.349 10 0 GCAELO O=C(CN1CCOC[C@H]1CCO)NCc1ccccc1C[NH+]1CCOCC1 ZINC000767614577 1201981435 /nfs/dbraw/zinc/98/14/35/1201981435.db2.gz VTLYCJIHAHOIRJ-LJQANCHMSA-N 1 2 377.485 0.218 10 0 GCAELO Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCn2cc[nH+]c2)[C@@H](C)O)cc1C ZINC000771850487 1202167312 /nfs/dbraw/zinc/16/73/12/1202167312.db2.gz LWLKUFAFLATYRN-ZBFHGGJFSA-N 1 2 381.454 0.771 10 0 GCAELO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@@H]2CCCO2)C1 ZINC000536342469 530181870 /nfs/dbraw/zinc/18/18/70/530181870.db2.gz TZMJLTJWKMAJEC-QAETUUGQSA-N 1 2 377.503 0.211 10 0 GCAELO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@@H]2CCCO2)C1 ZINC000536342469 530181871 /nfs/dbraw/zinc/18/18/71/530181871.db2.gz TZMJLTJWKMAJEC-QAETUUGQSA-N 1 2 377.503 0.211 10 0 GCAELO Cc1ccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000057043371 530248788 /nfs/dbraw/zinc/24/87/88/530248788.db2.gz LESTWWFZWOOPNN-UHFFFAOYSA-N 1 2 386.543 0.235 10 0 GCAELO Cc1ncc(C[NH+]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)s1 ZINC000110944891 530258518 /nfs/dbraw/zinc/25/85/18/530258518.db2.gz DFNRGRJWTQCXLX-UHFFFAOYSA-N 1 2 386.543 0.767 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000180257176 530369100 /nfs/dbraw/zinc/36/91/00/530369100.db2.gz OFCCWYOXHUBDNZ-DGCLKSJQSA-N 1 2 397.273 0.962 10 0 GCAELO O=C(CN1CC[NH+]([C@H]2CCNC2=O)CC1)Nc1ccc(Br)cc1 ZINC000178211616 530363542 /nfs/dbraw/zinc/36/35/42/530363542.db2.gz QBHUTHRYZHFHSM-AWEZNQCLSA-N 1 2 381.274 0.894 10 0 GCAELO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[NH2+]C[C@@](C)(F)C3)cc2C1 ZINC000658380124 530382131 /nfs/dbraw/zinc/38/21/31/530382131.db2.gz GRIRNFXGWNALPS-OAHLLOKOSA-N 1 2 375.491 0.975 10 0 GCAELO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000284790612 530387113 /nfs/dbraw/zinc/38/71/13/530387113.db2.gz MDSLKGQFBJKSHJ-STQMWFEESA-N 1 2 388.515 0.271 10 0 GCAELO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000284790612 530387114 /nfs/dbraw/zinc/38/71/14/530387114.db2.gz MDSLKGQFBJKSHJ-STQMWFEESA-N 1 2 388.515 0.271 10 0 GCAELO NC(=O)Cn1cc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)nn1 ZINC000459310735 530636113 /nfs/dbraw/zinc/63/61/13/530636113.db2.gz XENYDKJIQYXKLH-UHFFFAOYSA-N 1 2 393.289 0.844 10 0 GCAELO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCSC[C@H]2CCO)ccc1C ZINC000470213198 530692979 /nfs/dbraw/zinc/69/29/79/530692979.db2.gz FIYKELFRIGVJSX-CQSZACIVSA-N 1 2 387.527 0.641 10 0 GCAELO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCSC[C@H]2CCO)ccc1C ZINC000470213198 530692982 /nfs/dbraw/zinc/69/29/82/530692982.db2.gz FIYKELFRIGVJSX-CQSZACIVSA-N 1 2 387.527 0.641 10 0 GCAELO COC(=O)CCNC(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000193070915 530749904 /nfs/dbraw/zinc/74/99/04/530749904.db2.gz VJDMMLMSRVTOPA-UHFFFAOYSA-N 1 2 385.262 0.645 10 0 GCAELO Cc1ncc(CNC(=O)C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000479418942 530757751 /nfs/dbraw/zinc/75/77/51/530757751.db2.gz IGOVKTMGARTIJL-INIZCTEOSA-N 1 2 384.527 0.392 10 0 GCAELO O[C@@H](Cn1nnc(Cc2cccc(Br)c2)n1)C[NH+]1CCOCC1 ZINC000193430406 530748987 /nfs/dbraw/zinc/74/89/87/530748987.db2.gz JCZCKFCXDKBGOU-CQSZACIVSA-N 1 2 382.262 0.720 10 0 GCAELO Cn1cnc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1Cl ZINC000121316674 530775410 /nfs/dbraw/zinc/77/54/10/530775410.db2.gz MYRQBRLRFQUTLT-KGLIPLIRSA-N 1 2 384.889 0.987 10 0 GCAELO Cn1cnc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1Cl ZINC000121316674 530775413 /nfs/dbraw/zinc/77/54/13/530775413.db2.gz MYRQBRLRFQUTLT-KGLIPLIRSA-N 1 2 384.889 0.987 10 0 GCAELO O=C(c1nc2ncc(Br)cn2n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172753137 530847516 /nfs/dbraw/zinc/84/75/16/530847516.db2.gz XSDBEROSQAMQGU-NSHDSACASA-N 1 2 381.234 0.434 10 0 GCAELO COc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178956862 530852309 /nfs/dbraw/zinc/85/23/09/530852309.db2.gz KNHYVZOCKYWFQN-GFCCVEGCSA-N 1 2 397.273 0.512 10 0 GCAELO O=C(Nc1ccc(Br)cn1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000193368353 530869632 /nfs/dbraw/zinc/86/96/32/530869632.db2.gz PTCDKSFLYTXTKY-LBPRGKRZSA-N 1 2 383.246 0.716 10 0 GCAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000104798027 530931150 /nfs/dbraw/zinc/93/11/50/530931150.db2.gz NMCPJOVSZMBHOU-CQSZACIVSA-N 1 2 399.289 0.809 10 0 GCAELO C[N@H+]1CCO[C@H](CNC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000104798027 530931153 /nfs/dbraw/zinc/93/11/53/530931153.db2.gz NMCPJOVSZMBHOU-CQSZACIVSA-N 1 2 399.289 0.809 10 0 GCAELO O=C(CNC(=O)c1ccc(Br)o1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164439 530933714 /nfs/dbraw/zinc/93/37/14/530933714.db2.gz ATSSBDJAZJYYPI-NSHDSACASA-N 1 2 386.246 0.751 10 0 GCAELO O=C(CNC(=O)c1ccc(Br)o1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000115164439 530933718 /nfs/dbraw/zinc/93/37/18/530933718.db2.gz ATSSBDJAZJYYPI-NSHDSACASA-N 1 2 386.246 0.751 10 0 GCAELO CS(=O)(=O)NCC1CC[NH+](CC(=O)Nc2cccc3nsnc32)CC1 ZINC000510208329 530924804 /nfs/dbraw/zinc/92/48/04/530924804.db2.gz MPEJFXYFAVZVEJ-UHFFFAOYSA-N 1 2 383.499 0.891 10 0 GCAELO Cc1nc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1Br ZINC000193609659 530949677 /nfs/dbraw/zinc/94/96/77/530949677.db2.gz ZAKRVIXVEGOTLE-LLVKDONJSA-N 1 2 382.262 0.207 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000251890504 530983299 /nfs/dbraw/zinc/98/32/99/530983299.db2.gz QHWJCLAEUGEOCB-KBPBESRZSA-N 1 2 376.429 0.558 10 0 GCAELO CNS(=O)(=O)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000251890504 530983303 /nfs/dbraw/zinc/98/33/03/530983303.db2.gz QHWJCLAEUGEOCB-KBPBESRZSA-N 1 2 376.429 0.558 10 0 GCAELO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000261710737 530989391 /nfs/dbraw/zinc/98/93/91/530989391.db2.gz PMYAHKPNZOSOGX-OAHLLOKOSA-N 1 2 388.511 0.549 10 0 GCAELO CS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261660954 530989808 /nfs/dbraw/zinc/98/98/08/530989808.db2.gz IHKUAJGJAZCGHF-INIZCTEOSA-N 1 2 381.479 0.820 10 0 GCAELO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000541861141 531061354 /nfs/dbraw/zinc/06/13/54/531061354.db2.gz MQSWCCYUDJLZMT-UHFFFAOYSA-N 1 2 384.483 0.683 10 0 GCAELO O=c1c2cc(Br)cc(F)c2ncn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000134619337 531097955 /nfs/dbraw/zinc/09/79/55/531097955.db2.gz SJHVOOIIUICNQB-NSHDSACASA-N 1 2 386.221 0.991 10 0 GCAELO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000679830690 531158344 /nfs/dbraw/zinc/15/83/44/531158344.db2.gz STIGZDPSMSZTRW-INIZCTEOSA-N 1 2 387.527 0.928 10 0 GCAELO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000679830690 531158346 /nfs/dbraw/zinc/15/83/46/531158346.db2.gz STIGZDPSMSZTRW-INIZCTEOSA-N 1 2 387.527 0.928 10 0 GCAELO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000681147145 531164056 /nfs/dbraw/zinc/16/40/56/531164056.db2.gz WTWKORSPVFADRQ-JTQLQIEISA-N 1 2 396.289 0.732 10 0 GCAELO O=C(COc1ccc(C2=NNC(=O)CC2)cc1Cl)NCC[NH+]1CCOCC1 ZINC000031415921 207382379 /nfs/dbraw/zinc/38/23/79/207382379.db2.gz BJDABAAESZGWTK-UHFFFAOYSA-N 1 2 394.859 0.781 10 0 GCAELO CC(=O)OC[C@H]1O[C@@H](n2cc[nH+]c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000091301228 208115323 /nfs/dbraw/zinc/11/53/23/208115323.db2.gz WTICWOCDMOSFLJ-NQNKBUKLSA-N 1 2 398.368 0.139 10 0 GCAELO CC(C)N(Cc1[nH+]ccn1C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccnc1 ZINC000011663533 221119948 /nfs/dbraw/zinc/11/99/48/221119948.db2.gz CGJNFASFOCXWAG-KRWDZBQOSA-N 1 2 384.484 0.943 10 0 GCAELO O=C(CCc1cc[nH+]c(N2CCOCC2)c1)N1CCN(c2ncccn2)CC1 ZINC000065269727 136162281 /nfs/dbraw/zinc/16/22/81/136162281.db2.gz RBIMVHVVDKTWLF-UHFFFAOYSA-N 1 2 382.468 0.990 10 0 GCAELO Cc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1C ZINC000575766028 570419682 /nfs/dbraw/zinc/41/96/82/570419682.db2.gz KLPDHNKPFBUQJN-MRXNPFEDSA-N 1 2 398.511 0.910 10 0 GCAELO COCCN1CCC[C@](O)(C[N@@H+]2CCN(c3cc(C)cc(C)c3)C(=O)C2)C1=O ZINC000067878797 570795936 /nfs/dbraw/zinc/79/59/36/570795936.db2.gz BBDICBKKXCYWPV-NRFANRHFSA-N 1 2 389.496 0.952 10 0 GCAELO COCCN1CCC[C@](O)(C[N@H+]2CCN(c3cc(C)cc(C)c3)C(=O)C2)C1=O ZINC000067878797 570795939 /nfs/dbraw/zinc/79/59/39/570795939.db2.gz BBDICBKKXCYWPV-NRFANRHFSA-N 1 2 389.496 0.952 10 0 GCAELO C/C(=C\C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C[NH+]1CCOCC1 ZINC000908125919 639440137 /nfs/dbraw/zinc/44/01/37/639440137.db2.gz SGQMSJJPNNNIKA-OBIHZWKSSA-N 1 2 387.424 0.203 10 0 GCAELO C#CC[NH+]1CCN(Cn2ncc(Br)c(Br)c2=O)CC1 ZINC000044756756 639585962 /nfs/dbraw/zinc/58/59/62/639585962.db2.gz CPPHUNNDQHZBOT-UHFFFAOYSA-N 1 2 390.079 0.977 10 0 GCAELO CC(=O)N[C@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)c1cccc(Br)c1 ZINC000913558855 639638580 /nfs/dbraw/zinc/63/85/80/639638580.db2.gz ZDZGVMYKVDEOFY-CABCVRRESA-N 1 2 384.274 0.761 10 0 GCAELO CC(=O)N[C@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)c1cccc(Br)c1 ZINC000913558855 639638585 /nfs/dbraw/zinc/63/85/85/639638585.db2.gz ZDZGVMYKVDEOFY-CABCVRRESA-N 1 2 384.274 0.761 10 0 GCAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnn(C)c1I ZINC000709338671 640130097 /nfs/dbraw/zinc/13/00/97/640130097.db2.gz KSNALFATZGFFGC-VIFPVBQESA-N 1 2 378.214 0.427 10 0 GCAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnn(C)c1I ZINC000709338671 640130102 /nfs/dbraw/zinc/13/01/02/640130102.db2.gz KSNALFATZGFFGC-VIFPVBQESA-N 1 2 378.214 0.427 10 0 GCAELO O=C(CN1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1)N1CCOCC1 ZINC000188585036 1192286418 /nfs/dbraw/zinc/28/64/18/1192286418.db2.gz TXPINOUZSUBWPJ-UHFFFAOYSA-N 1 2 389.365 0.677 10 0 GCAELO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000636890842 1192335352 /nfs/dbraw/zinc/33/53/52/1192335352.db2.gz BQGFEOKKGYTERG-MRXNPFEDSA-N 1 2 396.532 0.509 10 0 GCAELO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000544729146 1192591602 /nfs/dbraw/zinc/59/16/02/1192591602.db2.gz CUVGOQNIDHCWGZ-HNNXBMFYSA-N 1 2 397.501 0.427 10 0 GCAELO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000332737091 1184745818 /nfs/dbraw/zinc/74/58/18/1184745818.db2.gz ZERNYDCGXHKTTM-UGFHNGPFSA-N 1 2 388.440 0.782 10 0 GCAELO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000332737091 1184745819 /nfs/dbraw/zinc/74/58/19/1184745819.db2.gz ZERNYDCGXHKTTM-UGFHNGPFSA-N 1 2 388.440 0.782 10 0 GCAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)[C@@H]3CCOC3)c2)CC1 ZINC000275662998 1184888053 /nfs/dbraw/zinc/88/80/53/1184888053.db2.gz NUSRDYCTKKQBAV-GOSISDBHSA-N 1 2 388.468 0.537 10 0 GCAELO Cn1ccnc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)c1=O ZINC000275799410 1185075805 /nfs/dbraw/zinc/07/58/05/1185075805.db2.gz URGFEWJSAIZAES-HZPDHXFCSA-N 1 2 397.483 0.722 10 0 GCAELO CN(CCN1CCOCC1)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000580295338 1185143621 /nfs/dbraw/zinc/14/36/21/1185143621.db2.gz OZJBBSPAMXYOIE-UHFFFAOYSA-N 1 2 385.468 0.338 10 0 GCAELO Cc1cc(CN(C)C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000580846978 1185393783 /nfs/dbraw/zinc/39/37/83/1185393783.db2.gz IWJQIFPTYJONDP-UHFFFAOYSA-N 1 2 385.468 0.880 10 0 GCAELO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000581752767 1185878957 /nfs/dbraw/zinc/87/89/57/1185878957.db2.gz SFXSMTZLYOIMQM-CWQOZTLDSA-N 1 2 391.512 0.629 10 0 GCAELO CNS(=O)(=O)c1ccc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)nc1 ZINC000276823953 1186092804 /nfs/dbraw/zinc/09/28/04/1186092804.db2.gz OQLPCPIWPXQRGW-CQSZACIVSA-N 1 2 397.501 0.564 10 0 GCAELO CNS(=O)(=O)c1ccc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)nc1 ZINC000276823953 1186092810 /nfs/dbraw/zinc/09/28/10/1186092810.db2.gz OQLPCPIWPXQRGW-CQSZACIVSA-N 1 2 397.501 0.564 10 0 GCAELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(N)=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000535681279 1186199085 /nfs/dbraw/zinc/19/90/85/1186199085.db2.gz RZFMEHAFCQTNCK-UONOGXRCSA-N 1 2 386.456 0.554 10 0 GCAELO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](NC(N)=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000535681279 1186199086 /nfs/dbraw/zinc/19/90/86/1186199086.db2.gz RZFMEHAFCQTNCK-UONOGXRCSA-N 1 2 386.456 0.554 10 0 GCAELO COc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1CO ZINC000535707042 1186202562 /nfs/dbraw/zinc/20/25/62/1186202562.db2.gz AWBQQICSLUPSNV-CQSZACIVSA-N 1 2 377.441 0.307 10 0 GCAELO C[C@@H](C(=O)NC[C@H](O)Cn1ccnn1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000458129987 1186205053 /nfs/dbraw/zinc/20/50/53/1186205053.db2.gz FKBVVVGAKYJWHA-YOEHRIQHSA-N 1 2 376.436 0.105 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCO[C@@H](c3cccs3)C1)c(=O)n2C ZINC000157423500 1186361323 /nfs/dbraw/zinc/36/13/23/1186361323.db2.gz RRJNQFHJVTWNQZ-CYBMUJFWSA-N 1 2 389.481 0.959 10 0 GCAELO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCO[C@@H](c3cccs3)C1)c(=O)n2C ZINC000157423500 1186361329 /nfs/dbraw/zinc/36/13/29/1186361329.db2.gz RRJNQFHJVTWNQZ-CYBMUJFWSA-N 1 2 389.481 0.959 10 0 GCAELO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000548784306 1186753218 /nfs/dbraw/zinc/75/32/18/1186753218.db2.gz DVCPTGNGSSTFOM-LSDHHAIUSA-N 1 2 388.534 0.211 10 0 GCAELO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000548784306 1186753223 /nfs/dbraw/zinc/75/32/23/1186753223.db2.gz DVCPTGNGSSTFOM-LSDHHAIUSA-N 1 2 388.534 0.211 10 0 GCAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000548784303 1186753579 /nfs/dbraw/zinc/75/35/79/1186753579.db2.gz DVCPTGNGSSTFOM-CABCVRRESA-N 1 2 388.534 0.211 10 0 GCAELO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000548784303 1186753581 /nfs/dbraw/zinc/75/35/81/1186753581.db2.gz DVCPTGNGSSTFOM-CABCVRRESA-N 1 2 388.534 0.211 10 0 GCAELO CCOC1CC(CNC(=O)N2CCC[C@@H](NC(=O)CC)C2)([NH+]2CCOCC2)C1 ZINC000583479734 1186865966 /nfs/dbraw/zinc/86/59/66/1186865966.db2.gz LTSRWFKXZKEBQD-ZRZPHAQCSA-N 1 2 396.532 0.957 10 0 GCAELO C[C@H]1CN(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000329245633 1186883491 /nfs/dbraw/zinc/88/34/91/1186883491.db2.gz VGYOZVSVSQDWQK-HOTGVXAUSA-N 1 2 383.514 0.962 10 0 GCAELO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000584487383 1187518114 /nfs/dbraw/zinc/51/81/14/1187518114.db2.gz BJXNYCVURRPCQC-INIZCTEOSA-N 1 2 377.404 0.872 10 0 GCAELO CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)cc2C1 ZINC000659980494 1189501019 /nfs/dbraw/zinc/50/10/19/1189501019.db2.gz WFNHDNSDCCOACI-KGLIPLIRSA-N 1 2 381.498 0.624 10 0 GCAELO CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)cc2C1 ZINC000659980494 1189501021 /nfs/dbraw/zinc/50/10/21/1189501021.db2.gz WFNHDNSDCCOACI-KGLIPLIRSA-N 1 2 381.498 0.624 10 0 GCAELO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccnc(C)n3)CC2)CC1 ZINC000759903221 1189818584 /nfs/dbraw/zinc/81/85/84/1189818584.db2.gz UYQNDKYHPIVZGJ-OAHLLOKOSA-N 1 2 390.488 0.596 10 0 GCAELO C[C@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CCN1S(C)(=O)=O ZINC000408120504 1189916441 /nfs/dbraw/zinc/91/64/41/1189916441.db2.gz XECFBDPXVXVPDH-AWEZNQCLSA-N 1 2 383.518 0.124 10 0 GCAELO CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000434794177 1194870422 /nfs/dbraw/zinc/87/04/22/1194870422.db2.gz CYZKMWCBWPOMOE-HXUWFJFHSA-N 1 2 388.468 0.902 10 0 GCAELO CC(C)OCc1cccc(CNC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000434794177 1194870425 /nfs/dbraw/zinc/87/04/25/1194870425.db2.gz CYZKMWCBWPOMOE-HXUWFJFHSA-N 1 2 388.468 0.902 10 0 GCAELO COC(=O)c1cn(CCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)nn1 ZINC000514803656 1194912510 /nfs/dbraw/zinc/91/25/10/1194912510.db2.gz HPDTYUOUARFJGL-UHFFFAOYSA-N 1 2 383.412 0.809 10 0 GCAELO CO[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000549994671 1195147121 /nfs/dbraw/zinc/14/71/21/1195147121.db2.gz AOJGOYGTGYIMKG-KSZLIROESA-N 1 2 375.469 0.687 10 0 GCAELO CO[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000549994671 1195147123 /nfs/dbraw/zinc/14/71/23/1195147123.db2.gz AOJGOYGTGYIMKG-KSZLIROESA-N 1 2 375.469 0.687 10 0 GCAELO COC(=O)Cn1cc(CC[NH+]2CCN(C(=O)NC3CCCCC3)CC2)nn1 ZINC000438700062 1195239308 /nfs/dbraw/zinc/23/93/08/1195239308.db2.gz VPBIXVYTGHLFAI-UHFFFAOYSA-N 1 2 378.477 0.654 10 0 GCAELO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000519369149 1195396315 /nfs/dbraw/zinc/39/63/15/1195396315.db2.gz ZZBKJDYNLIWHEA-HMDCTGQHSA-N 1 2 379.501 0.485 10 0 GCAELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000440998237 1195595268 /nfs/dbraw/zinc/59/52/68/1195595268.db2.gz MNJNPSIXPRAHCL-MRXNPFEDSA-N 1 2 377.441 0.102 10 0 GCAELO O=C(C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000328887197 1195674164 /nfs/dbraw/zinc/67/41/64/1195674164.db2.gz OLTUVCHYMYCKFT-BZSNNMDCSA-N 1 2 379.501 0.870 10 0 GCAELO O=C(C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000328887197 1195674166 /nfs/dbraw/zinc/67/41/66/1195674166.db2.gz OLTUVCHYMYCKFT-BZSNNMDCSA-N 1 2 379.501 0.870 10 0 GCAELO COc1cccc(CCNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000441463202 1195744050 /nfs/dbraw/zinc/74/40/50/1195744050.db2.gz FCYQVSRTYHAYHA-UHFFFAOYSA-N 1 2 396.455 0.841 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CC[N@@H+]1CCO ZINC000190036813 1195755888 /nfs/dbraw/zinc/75/58/88/1195755888.db2.gz XMGPYYXHZPNLTA-ZDUSSCGKSA-N 1 2 385.468 0.914 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CC[N@H+]1CCO ZINC000190036813 1195755890 /nfs/dbraw/zinc/75/58/90/1195755890.db2.gz XMGPYYXHZPNLTA-ZDUSSCGKSA-N 1 2 385.468 0.914 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CC[N@@H+]1CCO ZINC000190032587 1195755936 /nfs/dbraw/zinc/75/59/36/1195755936.db2.gz YKAXUQZVTOHZPI-HNNXBMFYSA-N 1 2 397.479 0.825 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CC[N@H+]1CCO ZINC000190032587 1195755938 /nfs/dbraw/zinc/75/59/38/1195755938.db2.gz YKAXUQZVTOHZPI-HNNXBMFYSA-N 1 2 397.479 0.825 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC[N@@H+]1CCO ZINC000190027664 1195756022 /nfs/dbraw/zinc/75/60/22/1195756022.db2.gz DEKVXRDERYAZOR-ZDUSSCGKSA-N 1 2 391.859 0.989 10 0 GCAELO C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC[N@H+]1CCO ZINC000190027664 1195756024 /nfs/dbraw/zinc/75/60/24/1195756024.db2.gz DEKVXRDERYAZOR-ZDUSSCGKSA-N 1 2 391.859 0.989 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)n(Cc2ccccc2)n1 ZINC000190052245 1195756385 /nfs/dbraw/zinc/75/63/85/1195756385.db2.gz OAICVMIUJSYYCU-MRXNPFEDSA-N 1 2 385.468 0.703 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n(Cc2ccccc2)n1 ZINC000190052245 1195756388 /nfs/dbraw/zinc/75/63/88/1195756388.db2.gz OAICVMIUJSYYCU-MRXNPFEDSA-N 1 2 385.468 0.703 10 0 GCAELO CCc1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000443378395 1196043478 /nfs/dbraw/zinc/04/34/78/1196043478.db2.gz VCYIMAHFHRIGAO-CYBMUJFWSA-N 1 2 379.461 0.164 10 0 GCAELO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329350920 1196187579 /nfs/dbraw/zinc/18/75/79/1196187579.db2.gz FGHONYHYBAFYLY-BZUAXINKSA-N 1 2 385.530 0.355 10 0 GCAELO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329350920 1196187580 /nfs/dbraw/zinc/18/75/80/1196187580.db2.gz FGHONYHYBAFYLY-BZUAXINKSA-N 1 2 385.530 0.355 10 0 GCAELO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329350928 1196187907 /nfs/dbraw/zinc/18/79/07/1196187907.db2.gz FGHONYHYBAFYLY-PMPSAXMXSA-N 1 2 385.530 0.355 10 0 GCAELO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329350928 1196187910 /nfs/dbraw/zinc/18/79/10/1196187910.db2.gz FGHONYHYBAFYLY-PMPSAXMXSA-N 1 2 385.530 0.355 10 0 GCAELO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000475040184 1196230332 /nfs/dbraw/zinc/23/03/32/1196230332.db2.gz RSGPLXVOGCYQEI-KRWDZBQOSA-N 1 2 385.486 0.031 10 0 GCAELO C[C@H]1C[N@H+](CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 ZINC000523436111 1196525013 /nfs/dbraw/zinc/52/50/13/1196525013.db2.gz WUBGEUPYQKVLDG-INIZCTEOSA-N 1 2 395.525 0.924 10 0 GCAELO C[C@H]1C[N@@H+](CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 ZINC000523436111 1196525017 /nfs/dbraw/zinc/52/50/17/1196525017.db2.gz WUBGEUPYQKVLDG-INIZCTEOSA-N 1 2 395.525 0.924 10 0 GCAELO CCOC1CC(CNC(=O)N2CCSC[C@H]2CCO)([NH+]2CCOCC2)C1 ZINC000446938155 1196684228 /nfs/dbraw/zinc/68/42/28/1196684228.db2.gz VKTIEYITAVAVEZ-KLHKWILBSA-N 1 2 387.546 0.766 10 0 GCAELO COc1cc2c(cc1OC)CN(CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)CC2 ZINC000449845453 1196901345 /nfs/dbraw/zinc/90/13/45/1196901345.db2.gz PPFJWODDDXUXMH-HNNXBMFYSA-N 1 2 377.485 0.899 10 0 GCAELO COc1cc2c(cc1OC)CN(CC(=O)NCC[N@H+]1CCOC[C@@H]1C)CC2 ZINC000449845453 1196901346 /nfs/dbraw/zinc/90/13/46/1196901346.db2.gz PPFJWODDDXUXMH-HNNXBMFYSA-N 1 2 377.485 0.899 10 0 GCAELO CCOC(=O)[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC12COC2 ZINC000450569586 1196940092 /nfs/dbraw/zinc/94/00/92/1196940092.db2.gz OFMJJOBGRPNSDQ-HUUCEWRRSA-N 1 2 376.457 0.701 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)CC12COC2 ZINC000451126717 1196973918 /nfs/dbraw/zinc/97/39/18/1196973918.db2.gz RLRXVRZWRFQCLL-AWEZNQCLSA-N 1 2 376.409 0.908 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)CC12COC2 ZINC000451126717 1196973923 /nfs/dbraw/zinc/97/39/23/1196973923.db2.gz RLRXVRZWRFQCLL-AWEZNQCLSA-N 1 2 376.409 0.908 10 0 GCAELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)OC)c2)CC12COC2 ZINC000451133618 1196974652 /nfs/dbraw/zinc/97/46/52/1196974652.db2.gz JZIJRDVVOHBKHG-HNNXBMFYSA-N 1 2 376.409 0.923 10 0 GCAELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)OC)c2)CC12COC2 ZINC000451133618 1196974653 /nfs/dbraw/zinc/97/46/53/1196974653.db2.gz JZIJRDVVOHBKHG-HNNXBMFYSA-N 1 2 376.409 0.923 10 0 GCAELO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)OC)c2)CC12COC2 ZINC000451133619 1196974771 /nfs/dbraw/zinc/97/47/71/1196974771.db2.gz JZIJRDVVOHBKHG-OAHLLOKOSA-N 1 2 376.409 0.923 10 0 GCAELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)OC)c2)CC12COC2 ZINC000451133619 1196974772 /nfs/dbraw/zinc/97/47/72/1196974772.db2.gz JZIJRDVVOHBKHG-OAHLLOKOSA-N 1 2 376.409 0.923 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000451264407 1196984576 /nfs/dbraw/zinc/98/45/76/1196984576.db2.gz MZTSAAZEDVDDAJ-QKYXUNIQSA-N 1 2 377.460 0.866 10 0 GCAELO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000451264407 1196984579 /nfs/dbraw/zinc/98/45/79/1196984579.db2.gz MZTSAAZEDVDDAJ-QKYXUNIQSA-N 1 2 377.460 0.866 10 0 GCAELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000530722799 1197011951 /nfs/dbraw/zinc/01/19/51/1197011951.db2.gz KSVVMWLPQKRZKZ-SFHVURJKSA-N 1 2 378.473 0.680 10 0 GCAELO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000531439066 1197075411 /nfs/dbraw/zinc/07/54/11/1197075411.db2.gz BBNOHDXIXHGEMC-UHFFFAOYSA-N 1 2 376.461 0.380 10 0 GCAELO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000531439066 1197075415 /nfs/dbraw/zinc/07/54/15/1197075415.db2.gz BBNOHDXIXHGEMC-UHFFFAOYSA-N 1 2 376.461 0.380 10 0 GCAELO CC(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H](C)C1 ZINC000531912210 1197104092 /nfs/dbraw/zinc/10/40/92/1197104092.db2.gz BELWTRCUGJMTRR-QGZVFWFLSA-N 1 2 388.512 0.688 10 0 GCAELO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000174009559 1197180486 /nfs/dbraw/zinc/18/04/86/1197180486.db2.gz AALKAJGXIAOQIT-RHSMWYFYSA-N 1 2 391.516 0.265 10 0 GCAELO COc1c(F)cc(CC(=O)NCc2ccn3cc[nH+]c3c2)cc1S(N)(=O)=O ZINC000475715949 1197185922 /nfs/dbraw/zinc/18/59/22/1197185922.db2.gz FYZDQIAMBNQXJN-UHFFFAOYSA-N 1 2 392.412 0.988 10 0 GCAELO CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181092903 1197203346 /nfs/dbraw/zinc/20/33/46/1197203346.db2.gz VDVJSCBJZQEOOV-YJBOKZPZSA-N 1 2 398.866 0.983 10 0 GCAELO CC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181092903 1197203348 /nfs/dbraw/zinc/20/33/48/1197203348.db2.gz VDVJSCBJZQEOOV-YJBOKZPZSA-N 1 2 398.866 0.983 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)nn1-c1cccc(F)c1 ZINC000190042148 1197239800 /nfs/dbraw/zinc/23/98/00/1197239800.db2.gz BWKDCDVWIQQVOR-CQSZACIVSA-N 1 2 389.431 0.783 10 0 GCAELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)nn1-c1cccc(F)c1 ZINC000190042148 1197239802 /nfs/dbraw/zinc/23/98/02/1197239802.db2.gz BWKDCDVWIQQVOR-CQSZACIVSA-N 1 2 389.431 0.783 10 0 GCAELO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000190366843 1197240919 /nfs/dbraw/zinc/24/09/19/1197240919.db2.gz WJRMEBFMVWUNKJ-INIZCTEOSA-N 1 2 397.501 0.948 10 0 GCAELO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000190366843 1197240921 /nfs/dbraw/zinc/24/09/21/1197240921.db2.gz WJRMEBFMVWUNKJ-INIZCTEOSA-N 1 2 397.501 0.948 10 0 GCAELO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCNC(=O)CC3)CC2)c(F)c1 ZINC000054259384 1197388678 /nfs/dbraw/zinc/38/86/78/1197388678.db2.gz ZIBIZZVQXMFUIL-UHFFFAOYSA-N 1 2 376.432 0.499 10 0 GCAELO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCNC(=O)CC3)CC2)c(F)c1 ZINC000054259384 1197388681 /nfs/dbraw/zinc/38/86/81/1197388681.db2.gz ZIBIZZVQXMFUIL-UHFFFAOYSA-N 1 2 376.432 0.499 10 0 GCAELO Cc1nn(C)c(C)c1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000532816674 1197414264 /nfs/dbraw/zinc/41/42/64/1197414264.db2.gz KAFHUNBGYUQZKT-UHFFFAOYSA-N 1 2 384.484 0.914 10 0 GCAELO Nc1c(C(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000532901386 1197420605 /nfs/dbraw/zinc/42/06/05/1197420605.db2.gz WQVXJTQWUPBBIN-UHFFFAOYSA-N 1 2 389.456 0.383 10 0 GCAELO Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000533151718 1197435547 /nfs/dbraw/zinc/43/55/47/1197435547.db2.gz HQQFKAQYBMPTEN-CQSZACIVSA-N 1 2 399.499 0.697 10 0 GCAELO O=C(c1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c[nH]1)N1CCCC1 ZINC000261612544 1197510493 /nfs/dbraw/zinc/51/04/93/1197510493.db2.gz CFUMETWTFMEZBO-QGZVFWFLSA-N 1 2 389.481 0.981 10 0 GCAELO COc1cc(OC)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c(OC)c1 ZINC000261682315 1197511543 /nfs/dbraw/zinc/51/15/43/1197511543.db2.gz LXIFQFOFFATAFA-CYBMUJFWSA-N 1 2 396.469 0.781 10 0 GCAELO COC(=O)COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261783759 1197514453 /nfs/dbraw/zinc/51/44/53/1197514453.db2.gz UGSWZSDJVMCGCC-QGZVFWFLSA-N 1 2 391.449 0.969 10 0 GCAELO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333451029 1197522592 /nfs/dbraw/zinc/52/25/92/1197522592.db2.gz LUOMULQYLBFSIM-CVEARBPZSA-N 1 2 390.488 0.224 10 0 GCAELO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000333451029 1197522594 /nfs/dbraw/zinc/52/25/94/1197522594.db2.gz LUOMULQYLBFSIM-CVEARBPZSA-N 1 2 390.488 0.224 10 0 GCAELO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333451033 1197522690 /nfs/dbraw/zinc/52/26/90/1197522690.db2.gz LUOMULQYLBFSIM-HZPDHXFCSA-N 1 2 390.488 0.224 10 0 GCAELO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000333451033 1197522693 /nfs/dbraw/zinc/52/26/93/1197522693.db2.gz LUOMULQYLBFSIM-HZPDHXFCSA-N 1 2 390.488 0.224 10 0 GCAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000263060437 1197541040 /nfs/dbraw/zinc/54/10/40/1197541040.db2.gz VJCMGWPLIUNWRY-GFCCVEGCSA-N 1 2 399.423 0.393 10 0 GCAELO NC(=O)C[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000672799847 1199337262 /nfs/dbraw/zinc/33/72/62/1199337262.db2.gz OIKMKJZGRVLNLT-OAHLLOKOSA-N 1 2 388.472 0.027 10 0 GCAELO CN(Cc1nnnn1C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000466270855 1199593360 /nfs/dbraw/zinc/59/33/60/1199593360.db2.gz ZJIFAIOGJXGDFS-UHFFFAOYSA-N 1 2 389.460 0.263 10 0 GCAELO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000673883595 1199967511 /nfs/dbraw/zinc/96/75/11/1199967511.db2.gz MDMBFFQBQVMBJJ-SJORKVTESA-N 1 2 380.489 0.273 10 0 GCAELO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000274437826 1199971431 /nfs/dbraw/zinc/97/14/31/1199971431.db2.gz RRXSPBZJMZQGDV-HNAYVOBHSA-N 1 2 377.441 0.444 10 0 GCAELO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000274437826 1199971435 /nfs/dbraw/zinc/97/14/35/1199971435.db2.gz RRXSPBZJMZQGDV-HNAYVOBHSA-N 1 2 377.441 0.444 10 0 GCAELO CCOc1cccc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000675488044 1200418779 /nfs/dbraw/zinc/41/87/79/1200418779.db2.gz HZSWJMPTZVGSEK-INIZCTEOSA-N 1 2 390.484 0.320 10 0 GCAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCCN1CCCS1(=O)=O ZINC000676271517 1200524481 /nfs/dbraw/zinc/52/44/81/1200524481.db2.gz SRGNGOOTRBEQTQ-UHFFFAOYSA-N 1 2 397.501 0.774 10 0 GCAELO CC[C@H](C)n1nc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1C ZINC000546097283 1201009917 /nfs/dbraw/zinc/00/99/17/1201009917.db2.gz WTLMAQQFHHJWEA-ZDUSSCGKSA-N 1 2 385.472 1.548 10 0 GCAELO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)CC1 ZINC000611431288 1201236922 /nfs/dbraw/zinc/23/69/22/1201236922.db2.gz JFOYXPZBZKRKNE-ZDUSSCGKSA-N 1 2 378.477 0.031 10 0 GCAELO CC(=O)N1CSC[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165397 1201525089 /nfs/dbraw/zinc/52/50/89/1201525089.db2.gz LNFGZLQLFRAGCD-MSOLQXFVSA-N 1 2 377.510 0.968 10 0 GCAELO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000823784281 1201608696 /nfs/dbraw/zinc/60/86/96/1201608696.db2.gz IHJLDCVQPRQZKW-KCQAQPDRSA-N 1 2 386.493 0.243 10 0 GCAELO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000823784281 1201608698 /nfs/dbraw/zinc/60/86/98/1201608698.db2.gz IHJLDCVQPRQZKW-KCQAQPDRSA-N 1 2 386.493 0.243 10 0 GCAELO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000827748314 1201707950 /nfs/dbraw/zinc/70/79/50/1201707950.db2.gz QVWWETYTNNVDFD-ZIAGYGMSSA-N 1 2 395.510 0.797 10 0 GCAELO O=C(N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000827771408 1201708098 /nfs/dbraw/zinc/70/80/98/1201708098.db2.gz WVULUIVZNFWGHA-BXUZGUMPSA-N 1 2 380.811 0.919 10 0 GCAELO Cc1cn(C(C)(C)C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c[nH+]1 ZINC000828087007 1201714319 /nfs/dbraw/zinc/71/43/19/1201714319.db2.gz REMCOVIGYQXQIR-UHFFFAOYSA-N 1 2 377.474 0.561 10 0 GCAELO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCO1 ZINC000806666081 1205563560 /nfs/dbraw/zinc/56/35/60/1205563560.db2.gz SONIRWDEDPCNJD-GJZGRUSLSA-N 1 2 388.534 0.211 10 0 GCAELO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCO1 ZINC000806666081 1205563561 /nfs/dbraw/zinc/56/35/61/1205563561.db2.gz SONIRWDEDPCNJD-GJZGRUSLSA-N 1 2 388.534 0.211 10 0 GCAELO Cc1ccc(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)c(N(C)C)[nH+]1 ZINC000773878419 1205832817 /nfs/dbraw/zinc/83/28/17/1205832817.db2.gz RHIJRRSPUFPBFJ-UHFFFAOYSA-N 1 2 398.467 0.943 10 0 GCAELO