smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c2c1C ZINC001164408263 718853213 /nfs/dbraw/zinc/85/32/13/718853213.db2.gz RSPVWKXCUTXKBJ-MWTRTKDXSA-N 2 2 459.616 2.180 20 0 JEADLP Cc1cccc(CN2C(=O)COC3(CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC3)[C@H]2C)n1 ZINC001164428879 718951205 /nfs/dbraw/zinc/95/12/05/718951205.db2.gz LLWABLMPLOQUAK-OAQYLSRUSA-N 2 2 464.614 2.323 20 0 JEADLP Cc1nc(-n2cncn2)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164684559 719680570 /nfs/dbraw/zinc/68/05/70/719680570.db2.gz JGTKGZLNBVNOHK-HXUWFJFHSA-N 2 2 474.613 2.459 20 0 JEADLP Cc1nc(-n2cncn2)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164684556 719680681 /nfs/dbraw/zinc/68/06/81/719680681.db2.gz JGTKGZLNBVNOHK-FQEVSTJZSA-N 2 2 474.613 2.459 20 0 JEADLP O=C(c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164740359 720728554 /nfs/dbraw/zinc/72/85/54/720728554.db2.gz KGVHHBAPPWQLBM-DNQXCXABSA-N 2 2 499.619 2.172 20 0 JEADLP O=C(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164740359 720728559 /nfs/dbraw/zinc/72/85/59/720728559.db2.gz KGVHHBAPPWQLBM-DNQXCXABSA-N 2 2 499.619 2.172 20 0 JEADLP COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@H]2C1 ZINC001164851542 720864118 /nfs/dbraw/zinc/86/41/18/720864118.db2.gz ATBSLQGQRCCAFT-AHWVRZQESA-N 2 2 493.652 2.213 20 0 JEADLP COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@H]2C1 ZINC001164851542 720864120 /nfs/dbraw/zinc/86/41/20/720864120.db2.gz ATBSLQGQRCCAFT-AHWVRZQESA-N 2 2 493.652 2.213 20 0 JEADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)CC[C@H]2C1 ZINC001164862222 720880006 /nfs/dbraw/zinc/88/00/06/720880006.db2.gz RJLGOKFZBXRLHH-REWPJTCUSA-N 2 2 470.593 2.116 20 0 JEADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)CC[C@H]2C1 ZINC001164862222 720880010 /nfs/dbraw/zinc/88/00/10/720880010.db2.gz RJLGOKFZBXRLHH-REWPJTCUSA-N 2 2 470.593 2.116 20 0 JEADLP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164757769 720897394 /nfs/dbraw/zinc/89/73/94/720897394.db2.gz VOZRFHMYBYIVIA-OZXSUGGESA-N 2 2 464.614 2.463 20 0 JEADLP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164757769 720897396 /nfs/dbraw/zinc/89/73/96/720897396.db2.gz VOZRFHMYBYIVIA-OZXSUGGESA-N 2 2 464.614 2.463 20 0 JEADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(ccn5S(=O)(=O)c5ccccc5)c[nH+]4)C[C@@H]3C2)cn1 ZINC001164774436 721187335 /nfs/dbraw/zinc/18/73/35/721187335.db2.gz ZEHAKAXIZAPUAY-SFTDATJTSA-N 2 2 477.594 2.360 20 0 JEADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(ccn5S(=O)(=O)c5ccccc5)c[nH+]4)C[C@@H]3C2)cn1 ZINC001164774436 721187341 /nfs/dbraw/zinc/18/73/41/721187341.db2.gz ZEHAKAXIZAPUAY-SFTDATJTSA-N 2 2 477.594 2.360 20 0 JEADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164762036 721223773 /nfs/dbraw/zinc/22/37/73/721223773.db2.gz BYVSBRXAEHGCJY-PKTZIBPZSA-N 2 2 458.614 2.495 20 0 JEADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164762036 721223784 /nfs/dbraw/zinc/22/37/84/721223784.db2.gz BYVSBRXAEHGCJY-PKTZIBPZSA-N 2 2 458.614 2.495 20 0 JEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCn4c(=O)cc(CNC(=O)c5ccco5)nc4C3)c2)CC1 ZINC001164896705 721471251 /nfs/dbraw/zinc/47/12/51/721471251.db2.gz XIFUJJKEDSSDRB-UHFFFAOYSA-N 2 2 478.553 2.045 20 0 JEADLP COc1cccc(CN2C[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@@H]3S2(=O)=O)c1 ZINC001164806929 721592599 /nfs/dbraw/zinc/59/25/99/721592599.db2.gz NRFMNIIDWOGCDQ-GGAORHGYSA-N 2 2 485.654 2.273 20 0 JEADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001165014712 721765861 /nfs/dbraw/zinc/76/58/61/721765861.db2.gz HWOIELVBABTQBM-UHFFFAOYSA-N 2 2 468.993 2.254 20 0 JEADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cccc(OCC[NH+]5CCCC5)n4)CCO3)C2)c1 ZINC001164917537 721791771 /nfs/dbraw/zinc/79/17/71/721791771.db2.gz XZQDOHHAKSFZLP-VWLOTQADSA-N 2 2 453.587 2.059 20 0 JEADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cccc(OCC[NH+]5CCCC5)n4)CCO3)C2)c1 ZINC001164917537 721791772 /nfs/dbraw/zinc/79/17/72/721791772.db2.gz XZQDOHHAKSFZLP-VWLOTQADSA-N 2 2 453.587 2.059 20 0 JEADLP CCOC(=O)c1c[nH]c2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)[nH+]cc21 ZINC001164914368 721792169 /nfs/dbraw/zinc/79/21/69/721792169.db2.gz MLNHDRPNXISSAM-DEOSSOPVSA-N 2 2 451.527 2.242 20 0 JEADLP CCOC(=O)c1c[nH]c2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)[nH+]cc21 ZINC001164914368 721792172 /nfs/dbraw/zinc/79/21/72/721792172.db2.gz MLNHDRPNXISSAM-DEOSSOPVSA-N 2 2 451.527 2.242 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165038733 721914265 /nfs/dbraw/zinc/91/42/65/721914265.db2.gz PNCSUWQXQOBKFF-VQTJNVASSA-N 2 2 459.635 2.181 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165038733 721914267 /nfs/dbraw/zinc/91/42/67/721914267.db2.gz PNCSUWQXQOBKFF-VQTJNVASSA-N 2 2 459.635 2.181 20 0 JEADLP O=C(c1cccnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164966562 722073594 /nfs/dbraw/zinc/07/35/94/722073594.db2.gz BHIIHCCRSQJNBF-PSWAGMNNSA-N 2 2 461.610 2.339 20 0 JEADLP O=C(c1cccnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164966562 722073595 /nfs/dbraw/zinc/07/35/95/722073595.db2.gz BHIIHCCRSQJNBF-PSWAGMNNSA-N 2 2 461.610 2.339 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1C[NH+]1CC[C@H](CO)C1 ZINC001164967233 722074324 /nfs/dbraw/zinc/07/43/24/722074324.db2.gz PCOHRTPJTNQKDU-PCCBWWKXSA-N 2 2 471.646 2.180 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1C[NH+]1CC[C@H](CO)C1 ZINC001164967233 722074325 /nfs/dbraw/zinc/07/43/25/722074325.db2.gz PCOHRTPJTNQKDU-PCCBWWKXSA-N 2 2 471.646 2.180 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH+](CC4CC4)C[C@H](C2)O3)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164967233 722074326 /nfs/dbraw/zinc/07/43/26/722074326.db2.gz PCOHRTPJTNQKDU-PCCBWWKXSA-N 2 2 471.646 2.180 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH+](CC4CC4)C[C@H](C2)O3)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164967233 722074327 /nfs/dbraw/zinc/07/43/27/722074327.db2.gz PCOHRTPJTNQKDU-PCCBWWKXSA-N 2 2 471.646 2.180 20 0 JEADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164972678 722138696 /nfs/dbraw/zinc/13/86/96/722138696.db2.gz AGYSPCAVQNXFSW-FCHUYYIVSA-N 2 2 464.618 2.194 20 0 JEADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164972678 722138699 /nfs/dbraw/zinc/13/86/99/722138699.db2.gz AGYSPCAVQNXFSW-FCHUYYIVSA-N 2 2 464.618 2.194 20 0 JEADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164972687 722139142 /nfs/dbraw/zinc/13/91/42/722139142.db2.gz AGYSPCAVQNXFSW-VXKWHMMOSA-N 2 2 464.618 2.194 20 0 JEADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164972687 722139144 /nfs/dbraw/zinc/13/91/44/722139144.db2.gz AGYSPCAVQNXFSW-VXKWHMMOSA-N 2 2 464.618 2.194 20 0 JEADLP C[NH+](C)CCOCc1ncn2c1CN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)CCC2 ZINC001165001963 722255844 /nfs/dbraw/zinc/25/58/44/722255844.db2.gz KEAXMHVVMSVXFY-UHFFFAOYSA-N 2 2 495.609 2.353 20 0 JEADLP Cn1nnc2c1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164713002 720172091 /nfs/dbraw/zinc/17/20/91/720172091.db2.gz JGFSGBDAIKYTSB-VWLOTQADSA-N 2 2 488.640 2.380 20 0 JEADLP Cn1nnc2c1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164713002 720172101 /nfs/dbraw/zinc/17/21/01/720172101.db2.gz JGFSGBDAIKYTSB-VWLOTQADSA-N 2 2 488.640 2.380 20 0 JEADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]2)CC1 ZINC001164822055 720315493 /nfs/dbraw/zinc/31/54/93/720315493.db2.gz MMGHCOXIXUAQTD-DHIUTWEWSA-N 2 2 462.598 2.274 20 0 JEADLP O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164740361 720728588 /nfs/dbraw/zinc/72/85/88/720728588.db2.gz KGVHHBAPPWQLBM-ZEQRLZLVSA-N 2 2 499.619 2.172 20 0 JEADLP O=C(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164740361 720728597 /nfs/dbraw/zinc/72/85/97/720728597.db2.gz KGVHHBAPPWQLBM-ZEQRLZLVSA-N 2 2 499.619 2.172 20 0 JEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744590 720845586 /nfs/dbraw/zinc/84/55/86/720845586.db2.gz KUOAAQQHSUEAIH-FDFHNCONSA-N 2 2 478.649 2.043 20 0 JEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744590 720845588 /nfs/dbraw/zinc/84/55/88/720845588.db2.gz KUOAAQQHSUEAIH-FDFHNCONSA-N 2 2 478.649 2.043 20 0 JEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)CC[C@H]2C1 ZINC001164862217 720879255 /nfs/dbraw/zinc/87/92/55/720879255.db2.gz RJLGOKFZBXRLHH-NZQKXSOJSA-N 2 2 470.593 2.116 20 0 JEADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)CC[C@H]2C1 ZINC001164862217 720879260 /nfs/dbraw/zinc/87/92/60/720879260.db2.gz RJLGOKFZBXRLHH-NZQKXSOJSA-N 2 2 470.593 2.116 20 0 JEADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)C1 ZINC001164783785 721359031 /nfs/dbraw/zinc/35/90/31/721359031.db2.gz PJZLHJRDCUVHKE-DEOSSOPVSA-N 3 2 455.607 2.128 20 0 JEADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)C1 ZINC001164783785 721359033 /nfs/dbraw/zinc/35/90/33/721359033.db2.gz PJZLHJRDCUVHKE-DEOSSOPVSA-N 3 2 455.607 2.128 20 0 JEADLP COc1cccc(CN2C[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@H]3S2(=O)=O)c1 ZINC001164806933 721592642 /nfs/dbraw/zinc/59/26/42/721592642.db2.gz NRFMNIIDWOGCDQ-JTHBVZDNSA-N 2 2 485.654 2.273 20 0 JEADLP CCOC(=O)c1c[nH]c2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)[nH+]cc21 ZINC001164914370 721792601 /nfs/dbraw/zinc/79/26/01/721792601.db2.gz MLNHDRPNXISSAM-XMMPIXPASA-N 2 2 451.527 2.242 20 0 JEADLP CCOC(=O)c1c[nH]c2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)[nH+]cc21 ZINC001164914370 721792604 /nfs/dbraw/zinc/79/26/04/721792604.db2.gz MLNHDRPNXISSAM-XMMPIXPASA-N 2 2 451.527 2.242 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165038732 721914494 /nfs/dbraw/zinc/91/44/94/721914494.db2.gz PNCSUWQXQOBKFF-UXHICEINSA-N 2 2 459.635 2.181 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165038732 721914497 /nfs/dbraw/zinc/91/44/97/721914497.db2.gz PNCSUWQXQOBKFF-UXHICEINSA-N 2 2 459.635 2.181 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165038731 721914605 /nfs/dbraw/zinc/91/46/05/721914605.db2.gz PNCSUWQXQOBKFF-PMACEKPBSA-N 2 2 459.635 2.181 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165038731 721914608 /nfs/dbraw/zinc/91/46/08/721914608.db2.gz PNCSUWQXQOBKFF-PMACEKPBSA-N 2 2 459.635 2.181 20 0 JEADLP CN(CC1CC[NH+](C)CC1)c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001165042816 721936092 /nfs/dbraw/zinc/93/60/92/721936092.db2.gz MDVOOXSZLMHHLH-UHFFFAOYSA-N 2 2 473.691 2.053 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(CC(C(=O)NCc5ccc(F)cc5)=NO4)C3)[nH+]2)CC1 ZINC001164654577 719322396 /nfs/dbraw/zinc/32/23/96/719322396.db2.gz SCLAESBREHURCN-XMMPIXPASA-N 2 2 452.534 2.014 20 0 JEADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)C1 ZINC001164721379 720309482 /nfs/dbraw/zinc/30/94/82/720309482.db2.gz GSAQPIFEBKKGED-JOCHJYFZSA-N 2 2 483.991 2.321 20 0 JEADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)C1 ZINC001164721379 720309486 /nfs/dbraw/zinc/30/94/86/720309486.db2.gz GSAQPIFEBKKGED-JOCHJYFZSA-N 2 2 483.991 2.321 20 0 JEADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]2)CC1 ZINC001164822061 720315811 /nfs/dbraw/zinc/31/58/11/720315811.db2.gz MMGHCOXIXUAQTD-PKTZIBPZSA-N 2 2 462.598 2.274 20 0 JEADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164836424 720720241 /nfs/dbraw/zinc/72/02/41/720720241.db2.gz AFSRSGYGWXFTLM-SFTDATJTSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164836424 720720251 /nfs/dbraw/zinc/72/02/51/720720251.db2.gz AFSRSGYGWXFTLM-SFTDATJTSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164836424 720720259 /nfs/dbraw/zinc/72/02/59/720720259.db2.gz AFSRSGYGWXFTLM-SFTDATJTSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164836424 720720263 /nfs/dbraw/zinc/72/02/63/720720263.db2.gz AFSRSGYGWXFTLM-SFTDATJTSA-N 2 2 450.587 2.191 20 0 JEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164744593 720845768 /nfs/dbraw/zinc/84/57/68/720845768.db2.gz KUOAAQQHSUEAIH-FKBYEOEOSA-N 2 2 478.649 2.043 20 0 JEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164744593 720845771 /nfs/dbraw/zinc/84/57/71/720845771.db2.gz KUOAAQQHSUEAIH-FKBYEOEOSA-N 2 2 478.649 2.043 20 0 JEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]2C1 ZINC001164851543 720864921 /nfs/dbraw/zinc/86/49/21/720864921.db2.gz ATBSLQGQRCCAFT-AOYPEHQESA-N 2 2 493.652 2.213 20 0 JEADLP COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]2C1 ZINC001164851543 720864923 /nfs/dbraw/zinc/86/49/23/720864923.db2.gz ATBSLQGQRCCAFT-AOYPEHQESA-N 2 2 493.652 2.213 20 0 JEADLP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCOCC4)[nH+]cn2)C3)c1 ZINC001164752233 720873969 /nfs/dbraw/zinc/87/39/69/720873969.db2.gz MFFGBLXSUWSMMD-JYFHCDHNSA-N 2 2 464.614 2.463 20 0 JEADLP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCOCC4)[nH+]cn2)C3)c1 ZINC001164752233 720873973 /nfs/dbraw/zinc/87/39/73/720873973.db2.gz MFFGBLXSUWSMMD-JYFHCDHNSA-N 2 2 464.614 2.463 20 0 JEADLP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164757772 720897204 /nfs/dbraw/zinc/89/72/04/720897204.db2.gz VOZRFHMYBYIVIA-ZEQKJWHPSA-N 2 2 464.614 2.463 20 0 JEADLP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164757772 720897208 /nfs/dbraw/zinc/89/72/08/720897208.db2.gz VOZRFHMYBYIVIA-ZEQKJWHPSA-N 2 2 464.614 2.463 20 0 JEADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164762034 721222730 /nfs/dbraw/zinc/22/27/30/721222730.db2.gz BYVSBRXAEHGCJY-DHIUTWEWSA-N 2 2 458.614 2.495 20 0 JEADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164762034 721222738 /nfs/dbraw/zinc/22/27/38/721222738.db2.gz BYVSBRXAEHGCJY-DHIUTWEWSA-N 2 2 458.614 2.495 20 0 JEADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cccc(OCC[NH+]5CCCC5)n4)CCO3)C2)c1 ZINC001164917533 721791228 /nfs/dbraw/zinc/79/12/28/721791228.db2.gz XZQDOHHAKSFZLP-RUZDIDTESA-N 2 2 453.587 2.059 20 0 JEADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cccc(OCC[NH+]5CCCC5)n4)CCO3)C2)c1 ZINC001164917533 721791231 /nfs/dbraw/zinc/79/12/31/721791231.db2.gz XZQDOHHAKSFZLP-RUZDIDTESA-N 2 2 453.587 2.059 20 0 JEADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164926912 721873915 /nfs/dbraw/zinc/87/39/15/721873915.db2.gz SPVOBBWADUGVAK-WWPVKYPJSA-N 2 2 472.678 2.095 20 0 JEADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164926912 721873917 /nfs/dbraw/zinc/87/39/17/721873917.db2.gz SPVOBBWADUGVAK-WWPVKYPJSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[NH+]1CC[C@H](CO)C1 ZINC001164926912 721873919 /nfs/dbraw/zinc/87/39/19/721873919.db2.gz SPVOBBWADUGVAK-WWPVKYPJSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[NH+]1CC[C@H](CO)C1 ZINC001164926912 721873921 /nfs/dbraw/zinc/87/39/21/721873921.db2.gz SPVOBBWADUGVAK-WWPVKYPJSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[NH+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164926912 721873923 /nfs/dbraw/zinc/87/39/23/721873923.db2.gz SPVOBBWADUGVAK-WWPVKYPJSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[NH+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164926912 721873926 /nfs/dbraw/zinc/87/39/26/721873926.db2.gz SPVOBBWADUGVAK-WWPVKYPJSA-N 2 2 472.678 2.095 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164970060 722082227 /nfs/dbraw/zinc/08/22/27/722082227.db2.gz UAYKIUSCIGONJN-YADHBBJMSA-N 2 2 453.562 2.226 20 0 JEADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)n2)cc1 ZINC001165002186 722239036 /nfs/dbraw/zinc/23/90/36/722239036.db2.gz QIPTUCUWMYGJEP-UHFFFAOYSA-N 2 2 474.613 2.269 20 0 JEADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708609 719933119 /nfs/dbraw/zinc/93/31/19/719933119.db2.gz NBQAEGGMJDMYGA-NRFANRHFSA-N 2 2 451.619 2.312 20 0 JEADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708609 719933127 /nfs/dbraw/zinc/93/31/27/719933127.db2.gz NBQAEGGMJDMYGA-NRFANRHFSA-N 2 2 451.619 2.312 20 0 JEADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164703720 720048391 /nfs/dbraw/zinc/04/83/91/720048391.db2.gz LWJJJPIRBWOIDL-UHFFFAOYSA-N 2 2 485.636 2.324 20 0 JEADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164703720 720048397 /nfs/dbraw/zinc/04/83/97/720048397.db2.gz LWJJJPIRBWOIDL-UHFFFAOYSA-N 2 2 485.636 2.324 20 0 JEADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164711293 720128155 /nfs/dbraw/zinc/12/81/55/720128155.db2.gz HBGXXNJETZVJLV-QFIPXVFZSA-N 3 2 451.619 2.307 20 0 JEADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164711293 720128159 /nfs/dbraw/zinc/12/81/59/720128159.db2.gz HBGXXNJETZVJLV-QFIPXVFZSA-N 3 2 451.619 2.307 20 0 JEADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)n2)cc1 ZINC001164715081 720202915 /nfs/dbraw/zinc/20/29/15/720202915.db2.gz JAGXZWJSQZNTAV-QHCPKHFHSA-N 2 2 492.628 2.466 20 0 JEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(N5CCCC5)cc(C)[nH+]4)CC3)C2=O)cs1 ZINC001164821725 720357152 /nfs/dbraw/zinc/35/71/52/720357152.db2.gz BOJMZGDTODAFPO-UHFFFAOYSA-N 2 2 455.632 2.463 20 0 JEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(N5CCCC5)cc(C)[nH+]4)CC3)C2=O)cs1 ZINC001164821725 720357158 /nfs/dbraw/zinc/35/71/58/720357158.db2.gz BOJMZGDTODAFPO-UHFFFAOYSA-N 2 2 455.632 2.463 20 0 JEADLP Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1 ZINC001164731250 720507761 /nfs/dbraw/zinc/50/77/61/720507761.db2.gz OTIQKFQBRKYAQV-GOSISDBHSA-N 2 2 465.583 2.371 20 0 JEADLP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCOCC4)[nH+]cn2)C3)c1 ZINC001164752236 720874265 /nfs/dbraw/zinc/87/42/65/720874265.db2.gz MFFGBLXSUWSMMD-OZXSUGGESA-N 2 2 464.614 2.463 20 0 JEADLP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCOCC4)[nH+]cn2)C3)c1 ZINC001164752236 720874267 /nfs/dbraw/zinc/87/42/67/720874267.db2.gz MFFGBLXSUWSMMD-OZXSUGGESA-N 2 2 464.614 2.463 20 0 JEADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164780248 721355891 /nfs/dbraw/zinc/35/58/91/721355891.db2.gz DRLFWNZYFUZNJK-QHCPKHFHSA-N 2 2 454.531 2.468 20 0 JEADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164780248 721355896 /nfs/dbraw/zinc/35/58/96/721355896.db2.gz DRLFWNZYFUZNJK-QHCPKHFHSA-N 2 2 454.531 2.468 20 0 JEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164804730 721575963 /nfs/dbraw/zinc/57/59/63/721575963.db2.gz MOXOJFYVEOOSEL-VSKRKVRLSA-N 2 2 464.618 2.335 20 0 JEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164804730 721575966 /nfs/dbraw/zinc/57/59/66/721575966.db2.gz MOXOJFYVEOOSEL-VSKRKVRLSA-N 2 2 464.618 2.335 20 0 JEADLP Cc1nc(Cn2c(=O)ccc3c2CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)cs1 ZINC001164953202 722007216 /nfs/dbraw/zinc/00/72/16/722007216.db2.gz QDGYBLKMEBSIRR-UHFFFAOYSA-N 2 2 450.612 2.414 20 0 JEADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1C ZINC001164403420 718840038 /nfs/dbraw/zinc/84/00/38/718840038.db2.gz IQDCOKUJVZTWHU-QGZVFWFLSA-N 2 2 458.632 2.256 20 0 JEADLP CN1CC[NH+](Cc2cc3nc(N4CCCCC45CC[NH2+]CC5)nc(N4CCOCC4)c3s2)CC1 ZINC001164422276 718911189 /nfs/dbraw/zinc/91/11/89/718911189.db2.gz ZBBHHKRCTZTOHK-UHFFFAOYSA-N 2 2 485.702 2.388 20 0 JEADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[NH2+]C[C@H]3C(=O)OC)c2c1C ZINC001164630070 719136362 /nfs/dbraw/zinc/13/63/62/719136362.db2.gz GCIAEQSAPUERII-HNNXBMFYSA-N 2 2 461.588 2.114 20 0 JEADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164708925 719912806 /nfs/dbraw/zinc/91/28/06/719912806.db2.gz NOQUPTZGKCWIQV-UHFFFAOYSA-N 2 2 458.010 2.015 20 0 JEADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C2)C1 ZINC001164720542 720233893 /nfs/dbraw/zinc/23/38/93/720233893.db2.gz YAADVQWIHUGWQN-MHZLTWQESA-N 2 2 463.626 2.305 20 0 JEADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C2)C1 ZINC001164720542 720233903 /nfs/dbraw/zinc/23/39/03/720233903.db2.gz YAADVQWIHUGWQN-MHZLTWQESA-N 2 2 463.626 2.305 20 0 JEADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164720542 720233914 /nfs/dbraw/zinc/23/39/14/720233914.db2.gz YAADVQWIHUGWQN-MHZLTWQESA-N 2 2 463.626 2.305 20 0 JEADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1 ZINC001164720542 720233924 /nfs/dbraw/zinc/23/39/24/720233924.db2.gz YAADVQWIHUGWQN-MHZLTWQESA-N 2 2 463.626 2.305 20 0 JEADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C2)C1 ZINC001164719964 720257753 /nfs/dbraw/zinc/25/77/53/720257753.db2.gz QBVLEXDWJLAHQR-VWLOTQADSA-N 2 2 466.561 2.284 20 0 JEADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C2)C1 ZINC001164719964 720257761 /nfs/dbraw/zinc/25/77/61/720257761.db2.gz QBVLEXDWJLAHQR-VWLOTQADSA-N 2 2 466.561 2.284 20 0 JEADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)C1 ZINC001164721381 720309832 /nfs/dbraw/zinc/30/98/32/720309832.db2.gz GSAQPIFEBKKGED-QFIPXVFZSA-N 2 2 483.991 2.321 20 0 JEADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)C1 ZINC001164721381 720309835 /nfs/dbraw/zinc/30/98/35/720309835.db2.gz GSAQPIFEBKKGED-QFIPXVFZSA-N 2 2 483.991 2.321 20 0 JEADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001164732190 720519500 /nfs/dbraw/zinc/51/95/00/720519500.db2.gz ZOURHFMWCRIGIS-QHCPKHFHSA-N 2 2 473.625 2.434 20 0 JEADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164836422 720721412 /nfs/dbraw/zinc/72/14/12/720721412.db2.gz AFSRSGYGWXFTLM-NHCUHLMSSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164836422 720721417 /nfs/dbraw/zinc/72/14/17/720721417.db2.gz AFSRSGYGWXFTLM-NHCUHLMSSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164836422 720721424 /nfs/dbraw/zinc/72/14/24/720721424.db2.gz AFSRSGYGWXFTLM-NHCUHLMSSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164836422 720721432 /nfs/dbraw/zinc/72/14/32/720721432.db2.gz AFSRSGYGWXFTLM-NHCUHLMSSA-N 2 2 450.587 2.191 20 0 JEADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164762035 721223549 /nfs/dbraw/zinc/22/35/49/721223549.db2.gz BYVSBRXAEHGCJY-GOTSBHOMSA-N 2 2 458.614 2.495 20 0 JEADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164762035 721223553 /nfs/dbraw/zinc/22/35/53/721223553.db2.gz BYVSBRXAEHGCJY-GOTSBHOMSA-N 2 2 458.614 2.495 20 0 JEADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164780247 721356801 /nfs/dbraw/zinc/35/68/01/721356801.db2.gz DRLFWNZYFUZNJK-HSZRJFAPSA-N 2 2 454.531 2.468 20 0 JEADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164780247 721356805 /nfs/dbraw/zinc/35/68/05/721356805.db2.gz DRLFWNZYFUZNJK-HSZRJFAPSA-N 2 2 454.531 2.468 20 0 JEADLP CN(C)C(=O)c1cc2c[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2n1C1CCCC1 ZINC001164794338 721513850 /nfs/dbraw/zinc/51/38/50/721513850.db2.gz ONDGQFYCAUAHLP-UHFFFAOYSA-N 2 2 491.644 2.212 20 0 JEADLP COc1cccc(CN2C[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@@H]3S2(=O)=O)c1 ZINC001164806930 721592604 /nfs/dbraw/zinc/59/26/04/721592604.db2.gz NRFMNIIDWOGCDQ-GMAHTHKFSA-N 2 2 485.654 2.273 20 0 JEADLP Clc1cc(C2CC[NH2+]CC2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164910355 721775961 /nfs/dbraw/zinc/77/59/61/721775961.db2.gz BGGCPKCWKOFIBD-HSZRJFAPSA-N 2 2 458.994 2.100 20 0 JEADLP Clc1cc(C2CC[NH2+]CC2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164910355 721775968 /nfs/dbraw/zinc/77/59/68/721775968.db2.gz BGGCPKCWKOFIBD-HSZRJFAPSA-N 2 2 458.994 2.100 20 0 JEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)CC1 ZINC001164914342 721799075 /nfs/dbraw/zinc/79/90/75/721799075.db2.gz MALFHSNGRKDXST-RUZDIDTESA-N 3 2 453.587 2.057 20 0 JEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)CC1 ZINC001164914342 721799079 /nfs/dbraw/zinc/79/90/79/721799079.db2.gz MALFHSNGRKDXST-RUZDIDTESA-N 3 2 453.587 2.057 20 0 JEADLP CC[NH+](CC)C1CCN(c2nc3ccc(OC)cc3nc2O[C@@H]2C[NH2+][C@@H](C(=O)OC)C2)CC1 ZINC001165052969 722002889 /nfs/dbraw/zinc/00/28/89/722002889.db2.gz HCCLYTWDISEBTR-GHTZIAJQSA-N 2 2 457.575 2.231 20 0 JEADLP C[NH+]1CCN(c2ncnc3c2CCN(c2[nH+]cnc4c2ccn4COC(=O)C(C)(C)C)CC3)CC1 ZINC001164996644 722233850 /nfs/dbraw/zinc/23/38/50/722233850.db2.gz HQENWYJSKVCRKU-UHFFFAOYSA-N 2 2 478.601 2.125 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(CC(C(=O)NCc5ccc(F)cc5)=NO4)C3)[nH+]2)CC1 ZINC001164654576 719322214 /nfs/dbraw/zinc/32/22/14/719322214.db2.gz SCLAESBREHURCN-DEOSSOPVSA-N 2 2 452.534 2.014 20 0 JEADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCN(c4ccccc4F)CC3)[nH+]cn1)CC2 ZINC001164690290 719746103 /nfs/dbraw/zinc/74/61/03/719746103.db2.gz YNCKCUYFZUXVPX-UHFFFAOYSA-N 2 2 467.593 2.123 20 0 JEADLP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCN(c4ccccc4F)CC3)[nH+]cn1)CC2 ZINC001164690290 719746113 /nfs/dbraw/zinc/74/61/13/719746113.db2.gz YNCKCUYFZUXVPX-UHFFFAOYSA-N 2 2 467.593 2.123 20 0 JEADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C2)C1 ZINC001164719961 720255422 /nfs/dbraw/zinc/25/54/22/720255422.db2.gz QBVLEXDWJLAHQR-RUZDIDTESA-N 2 2 466.561 2.284 20 0 JEADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C2)C1 ZINC001164719961 720255427 /nfs/dbraw/zinc/25/54/27/720255427.db2.gz QBVLEXDWJLAHQR-RUZDIDTESA-N 2 2 466.561 2.284 20 0 JEADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C2)C1 ZINC001164718190 720257494 /nfs/dbraw/zinc/25/74/94/720257494.db2.gz CRFZLDBGHHHMAP-VWLOTQADSA-N 2 2 466.561 2.284 20 0 JEADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C2)C1 ZINC001164718190 720257507 /nfs/dbraw/zinc/25/75/07/720257507.db2.gz CRFZLDBGHHHMAP-VWLOTQADSA-N 2 2 466.561 2.284 20 0 JEADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164836423 720720834 /nfs/dbraw/zinc/72/08/34/720720834.db2.gz AFSRSGYGWXFTLM-RTWAWAEBSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164836423 720720839 /nfs/dbraw/zinc/72/08/39/720720839.db2.gz AFSRSGYGWXFTLM-RTWAWAEBSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164836423 720720849 /nfs/dbraw/zinc/72/08/49/720720849.db2.gz AFSRSGYGWXFTLM-RTWAWAEBSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164836423 720720850 /nfs/dbraw/zinc/72/08/50/720720850.db2.gz AFSRSGYGWXFTLM-RTWAWAEBSA-N 2 2 450.587 2.191 20 0 JEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@H]2C1 ZINC001164851544 720864865 /nfs/dbraw/zinc/86/48/65/720864865.db2.gz ATBSLQGQRCCAFT-AZGAKELHSA-N 2 2 493.652 2.213 20 0 JEADLP COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@H]2C1 ZINC001164851544 720864866 /nfs/dbraw/zinc/86/48/66/720864866.db2.gz ATBSLQGQRCCAFT-AZGAKELHSA-N 2 2 493.652 2.213 20 0 JEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164862215 720879149 /nfs/dbraw/zinc/87/91/49/720879149.db2.gz RJLGOKFZBXRLHH-NFBKMPQASA-N 2 2 470.593 2.116 20 0 JEADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164862215 720879153 /nfs/dbraw/zinc/87/91/53/720879153.db2.gz RJLGOKFZBXRLHH-NFBKMPQASA-N 2 2 470.593 2.116 20 0 JEADLP COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164875086 721224003 /nfs/dbraw/zinc/22/40/03/721224003.db2.gz WARDHOJXVHAWSI-NRFANRHFSA-N 2 2 466.630 2.320 20 0 JEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)CC1 ZINC001164914345 721799156 /nfs/dbraw/zinc/79/91/56/721799156.db2.gz MALFHSNGRKDXST-VWLOTQADSA-N 3 2 453.587 2.057 20 0 JEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)CC1 ZINC001164914345 721799158 /nfs/dbraw/zinc/79/91/58/721799158.db2.gz MALFHSNGRKDXST-VWLOTQADSA-N 3 2 453.587 2.057 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164967232 722074127 /nfs/dbraw/zinc/07/41/27/722074127.db2.gz PCOHRTPJTNQKDU-NJYVYQBISA-N 2 2 471.646 2.180 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164967232 722074130 /nfs/dbraw/zinc/07/41/30/722074130.db2.gz PCOHRTPJTNQKDU-NJYVYQBISA-N 2 2 471.646 2.180 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH+](CC4CC4)C[C@H](C2)O3)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164967232 722074131 /nfs/dbraw/zinc/07/41/31/722074131.db2.gz PCOHRTPJTNQKDU-NJYVYQBISA-N 2 2 471.646 2.180 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH+](CC4CC4)C[C@H](C2)O3)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164967232 722074133 /nfs/dbraw/zinc/07/41/33/722074133.db2.gz PCOHRTPJTNQKDU-NJYVYQBISA-N 2 2 471.646 2.180 20 0 JEADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972691 722138628 /nfs/dbraw/zinc/13/86/28/722138628.db2.gz AGYSPCAVQNXFSW-YADHBBJMSA-N 2 2 464.618 2.194 20 0 JEADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972691 722138629 /nfs/dbraw/zinc/13/86/29/722138629.db2.gz AGYSPCAVQNXFSW-YADHBBJMSA-N 2 2 464.618 2.194 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@@H]4C3)[nH+]2)CC1 ZINC001164992953 722187179 /nfs/dbraw/zinc/18/71/79/722187179.db2.gz WTEICDFVANCKOR-QPPBQGQZSA-N 2 2 455.628 2.015 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@H]4C3)[nH+]2)CC1 ZINC001164992955 722187217 /nfs/dbraw/zinc/18/72/17/722187217.db2.gz WTEICDFVANCKOR-URXFXBBRSA-N 2 2 455.628 2.015 20 0 JEADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c2c1C ZINC001164408264 718853234 /nfs/dbraw/zinc/85/32/34/718853234.db2.gz RSPVWKXCUTXKBJ-QMHKHESXSA-N 2 2 459.616 2.180 20 0 JEADLP CCOC(=O)C1CC[NH+](C2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC2)CC1 ZINC001164616462 719031340 /nfs/dbraw/zinc/03/13/40/719031340.db2.gz CQAMABZUYWMZRD-UHFFFAOYSA-N 2 2 457.623 2.316 20 0 JEADLP CC(C)C[NH+]1CCN(c2nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n2)CC1 ZINC001164657347 719336531 /nfs/dbraw/zinc/33/65/31/719336531.db2.gz ITFIMUDCLVTZEQ-UHFFFAOYSA-N 2 2 473.691 2.053 20 0 JEADLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c2ccccc21 ZINC001164683323 719658428 /nfs/dbraw/zinc/65/84/28/719658428.db2.gz VBWJMBBQMDCELB-OAQYLSRUSA-N 2 2 478.641 2.407 20 0 JEADLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c2ccccc21 ZINC001164683323 719658431 /nfs/dbraw/zinc/65/84/31/719658431.db2.gz VBWJMBBQMDCELB-OAQYLSRUSA-N 2 2 478.641 2.407 20 0 JEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(C5CC[NH2+]CC5)n4)CC3)C2=O)cs1 ZINC001164819318 720376173 /nfs/dbraw/zinc/37/61/73/720376173.db2.gz CCKFCMOEKZRKKT-UHFFFAOYSA-N 2 2 455.632 2.022 20 0 JEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(C5CC[NH2+]CC5)n4)CC3)C2=O)cs1 ZINC001164819318 720376175 /nfs/dbraw/zinc/37/61/75/720376175.db2.gz CCKFCMOEKZRKKT-UHFFFAOYSA-N 2 2 455.632 2.022 20 0 JEADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3S(=O)(=O)c2ccccc2)C1 ZINC001164730571 720511464 /nfs/dbraw/zinc/51/14/64/720511464.db2.gz MHOGDNGBQANQHO-QGZVFWFLSA-N 2 2 451.556 2.063 20 0 JEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744584 720845508 /nfs/dbraw/zinc/84/55/08/720845508.db2.gz KUOAAQQHSUEAIH-BHIFYINESA-N 2 2 478.649 2.043 20 0 JEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744584 720845509 /nfs/dbraw/zinc/84/55/09/720845509.db2.gz KUOAAQQHSUEAIH-BHIFYINESA-N 2 2 478.649 2.043 20 0 JEADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(cc(C(=O)N(C)C)n4C4CCCC4)c[nH+]3)CC[C@@H]2C1 ZINC001164852723 720855614 /nfs/dbraw/zinc/85/56/14/720855614.db2.gz FOSQKDUIIZZOIH-GCJKJVERSA-N 2 2 470.618 2.422 20 0 JEADLP COCC[N@H+]1CCO[C@H]2CN(c3nc4c(cc(C(=O)N(C)C)n4C4CCCC4)c[nH+]3)CC[C@@H]2C1 ZINC001164852723 720855618 /nfs/dbraw/zinc/85/56/18/720855618.db2.gz FOSQKDUIIZZOIH-GCJKJVERSA-N 2 2 470.618 2.422 20 0 JEADLP CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CCC2 ZINC001164751525 720866689 /nfs/dbraw/zinc/86/66/89/720866689.db2.gz KSKIUVFIRHLVQP-UHFFFAOYSA-N 2 2 468.602 2.184 20 0 JEADLP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164757767 720896650 /nfs/dbraw/zinc/89/66/50/720896650.db2.gz VOZRFHMYBYIVIA-BVAGGSTKSA-N 2 2 464.614 2.463 20 0 JEADLP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164757767 720896653 /nfs/dbraw/zinc/89/66/53/720896653.db2.gz VOZRFHMYBYIVIA-BVAGGSTKSA-N 2 2 464.614 2.463 20 0 JEADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164908976 721759746 /nfs/dbraw/zinc/75/97/46/721759746.db2.gz AXYKMFGLTGOBSS-UHFFFAOYSA-N 2 2 461.570 2.099 20 0 JEADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164908976 721759748 /nfs/dbraw/zinc/75/97/48/721759748.db2.gz AXYKMFGLTGOBSS-UHFFFAOYSA-N 2 2 461.570 2.099 20 0 JEADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001165020259 721842953 /nfs/dbraw/zinc/84/29/53/721842953.db2.gz BGBGSNXTECCSRW-UHFFFAOYSA-N 2 2 468.602 2.034 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@H]4C3)[nH+]2)CC1 ZINC001164992956 722187199 /nfs/dbraw/zinc/18/71/99/722187199.db2.gz WTEICDFVANCKOR-XUZZJYLKSA-N 2 2 455.628 2.015 20 0 JEADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001164683670 719729917 /nfs/dbraw/zinc/72/99/17/719729917.db2.gz CBPQXRULVFRKHM-UHFFFAOYSA-N 2 2 490.652 2.220 20 0 JEADLP CNC(=O)C[N@H+]1CCCC12CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001164683670 719729928 /nfs/dbraw/zinc/72/99/28/719729928.db2.gz CBPQXRULVFRKHM-UHFFFAOYSA-N 2 2 490.652 2.220 20 0 JEADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]2)CC1 ZINC001164822059 720315822 /nfs/dbraw/zinc/31/58/22/720315822.db2.gz MMGHCOXIXUAQTD-GOTSBHOMSA-N 2 2 462.598 2.274 20 0 JEADLP Cc1cc2c(nc[nH+]c2N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1S(=O)(=O)c1ccccc1 ZINC001164733277 720509196 /nfs/dbraw/zinc/50/91/96/720509196.db2.gz ZTQQAYCYASJYDG-GOSISDBHSA-N 2 2 465.583 2.371 20 0 JEADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]2)C1 ZINC001164734635 720522951 /nfs/dbraw/zinc/52/29/51/720522951.db2.gz RJMQAKYSFPZJMV-KRWDZBQOSA-N 2 2 451.556 2.063 20 0 JEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@@H]2C1 ZINC001164853763 720837931 /nfs/dbraw/zinc/83/79/31/720837931.db2.gz PFFBABDJAUTBKB-DENIHFKCSA-N 2 2 485.610 2.150 20 0 JEADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@@H]2C1 ZINC001164853763 720837933 /nfs/dbraw/zinc/83/79/33/720837933.db2.gz PFFBABDJAUTBKB-DENIHFKCSA-N 2 2 485.610 2.150 20 0 JEADLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@@H]2C1 ZINC001164853764 720837970 /nfs/dbraw/zinc/83/79/70/720837970.db2.gz PFFBABDJAUTBKB-KNQAVFIVSA-N 2 2 485.610 2.150 20 0 JEADLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@@H]2C1 ZINC001164853764 720837972 /nfs/dbraw/zinc/83/79/72/720837972.db2.gz PFFBABDJAUTBKB-KNQAVFIVSA-N 2 2 485.610 2.150 20 0 JEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(cc(C(=O)N(C)C)n4C4CCCC4)c[nH+]3)CC[C@H]2C1 ZINC001164852724 720855530 /nfs/dbraw/zinc/85/55/30/720855530.db2.gz FOSQKDUIIZZOIH-PGRDOPGGSA-N 2 2 470.618 2.422 20 0 JEADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc4c(cc(C(=O)N(C)C)n4C4CCCC4)c[nH+]3)CC[C@H]2C1 ZINC001164852724 720855533 /nfs/dbraw/zinc/85/55/33/720855533.db2.gz FOSQKDUIIZZOIH-PGRDOPGGSA-N 2 2 470.618 2.422 20 0 JEADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC2)C1 ZINC001164869380 721271188 /nfs/dbraw/zinc/27/11/88/721271188.db2.gz MTCHTBRNGQWVTF-UHFFFAOYSA-N 2 2 478.641 2.042 20 0 JEADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC2)C1 ZINC001164869380 721271198 /nfs/dbraw/zinc/27/11/98/721271198.db2.gz MTCHTBRNGQWVTF-UHFFFAOYSA-N 2 2 478.641 2.042 20 0 JEADLP CN(C)C(=O)C[NH+]1CCOCC2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)C1 ZINC001164869380 721271202 /nfs/dbraw/zinc/27/12/02/721271202.db2.gz MTCHTBRNGQWVTF-UHFFFAOYSA-N 2 2 478.641 2.042 20 0 JEADLP CN(C)C(=O)C[NH+]1CCOCC2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)C1 ZINC001164869380 721271211 /nfs/dbraw/zinc/27/12/11/721271211.db2.gz MTCHTBRNGQWVTF-UHFFFAOYSA-N 2 2 478.641 2.042 20 0 JEADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)n2)cc1 ZINC001164873782 721291436 /nfs/dbraw/zinc/29/14/36/721291436.db2.gz AFUDDVNJSNZOGQ-UHFFFAOYSA-N 2 2 482.629 2.129 20 0 JEADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)n2)cc1 ZINC001164873782 721291444 /nfs/dbraw/zinc/29/14/44/721291444.db2.gz AFUDDVNJSNZOGQ-UHFFFAOYSA-N 2 2 482.629 2.129 20 0 JEADLP CC[NH+](CC)C1CCN(c2nc3ccc(OC)cc3nc2O[C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001165052971 722002969 /nfs/dbraw/zinc/00/29/69/722002969.db2.gz HCCLYTWDISEBTR-RXVVDRJESA-N 2 2 457.575 2.231 20 0 JEADLP C[NH+]1CCN(c2ccc(N3CCO[C@H](c4[nH+]cn5c4cccc5Br)C3)nn2)CC1 ZINC001164422049 718889637 /nfs/dbraw/zinc/88/96/37/718889637.db2.gz ZLEBCKYMZRGUTL-INIZCTEOSA-N 2 2 458.364 2.217 20 0 JEADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164655554 719327149 /nfs/dbraw/zinc/32/71/49/719327149.db2.gz QOAALEWYYQSIPY-UHFFFAOYSA-N 2 2 453.568 2.240 20 0 JEADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164655554 719327152 /nfs/dbraw/zinc/32/71/52/719327152.db2.gz QOAALEWYYQSIPY-UHFFFAOYSA-N 2 2 453.568 2.240 20 0 JEADLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c2ccccc21 ZINC001164683315 719658181 /nfs/dbraw/zinc/65/81/81/719658181.db2.gz VBWJMBBQMDCELB-NRFANRHFSA-N 2 2 478.641 2.407 20 0 JEADLP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c2ccccc21 ZINC001164683315 719658186 /nfs/dbraw/zinc/65/81/86/719658186.db2.gz VBWJMBBQMDCELB-NRFANRHFSA-N 2 2 478.641 2.407 20 0 JEADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C2)C1 ZINC001164720539 720234995 /nfs/dbraw/zinc/23/49/95/720234995.db2.gz YAADVQWIHUGWQN-HHHXNRCGSA-N 2 2 463.626 2.305 20 0 JEADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C2)C1 ZINC001164720539 720235012 /nfs/dbraw/zinc/23/50/12/720235012.db2.gz YAADVQWIHUGWQN-HHHXNRCGSA-N 2 2 463.626 2.305 20 0 JEADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164720539 720235032 /nfs/dbraw/zinc/23/50/32/720235032.db2.gz YAADVQWIHUGWQN-HHHXNRCGSA-N 2 2 463.626 2.305 20 0 JEADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1 ZINC001164720539 720235045 /nfs/dbraw/zinc/23/50/45/720235045.db2.gz YAADVQWIHUGWQN-HHHXNRCGSA-N 2 2 463.626 2.305 20 0 JEADLP COc1cc2cc[nH+]c(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2cc1OC ZINC001164831766 720456255 /nfs/dbraw/zinc/45/62/55/720456255.db2.gz PYSUFVFRDXAEGV-LJQANCHMSA-N 2 2 467.570 2.438 20 0 JEADLP Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1 ZINC001164731251 720507853 /nfs/dbraw/zinc/50/78/53/720507853.db2.gz OTIQKFQBRKYAQV-SFHVURJKSA-N 2 2 465.583 2.371 20 0 JEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164744597 720845564 /nfs/dbraw/zinc/84/55/64/720845564.db2.gz KUOAAQQHSUEAIH-FSSWDIPSSA-N 2 2 478.649 2.043 20 0 JEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164744597 720845568 /nfs/dbraw/zinc/84/55/68/720845568.db2.gz KUOAAQQHSUEAIH-FSSWDIPSSA-N 2 2 478.649 2.043 20 0 JEADLP COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]2C1 ZINC001164851545 720865055 /nfs/dbraw/zinc/86/50/55/720865055.db2.gz ATBSLQGQRCCAFT-RSXGOPAZSA-N 2 2 493.652 2.213 20 0 JEADLP COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]2C1 ZINC001164851545 720865056 /nfs/dbraw/zinc/86/50/56/720865056.db2.gz ATBSLQGQRCCAFT-RSXGOPAZSA-N 2 2 493.652 2.213 20 0 JEADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(ccn5S(=O)(=O)c5ccccc5)c[nH+]4)C[C@H]3C2)cn1 ZINC001164774432 721187033 /nfs/dbraw/zinc/18/70/33/721187033.db2.gz ZEHAKAXIZAPUAY-NHCUHLMSSA-N 2 2 477.594 2.360 20 0 JEADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5c(ccn5S(=O)(=O)c5ccccc5)c[nH+]4)C[C@H]3C2)cn1 ZINC001164774432 721187039 /nfs/dbraw/zinc/18/70/39/721187039.db2.gz ZEHAKAXIZAPUAY-NHCUHLMSSA-N 2 2 477.594 2.360 20 0 JEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164804728 721576408 /nfs/dbraw/zinc/57/64/08/721576408.db2.gz MOXOJFYVEOOSEL-BDTNDASRSA-N 2 2 464.618 2.335 20 0 JEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164804728 721576409 /nfs/dbraw/zinc/57/64/09/721576409.db2.gz MOXOJFYVEOOSEL-BDTNDASRSA-N 2 2 464.618 2.335 20 0 JEADLP COc1cccc(CN2C[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@H]3S2(=O)=O)c1 ZINC001164806925 721592669 /nfs/dbraw/zinc/59/26/69/721592669.db2.gz NRFMNIIDWOGCDQ-FYYLOGMGSA-N 2 2 485.654 2.273 20 0 JEADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164926908 721874064 /nfs/dbraw/zinc/87/40/64/721874064.db2.gz SPVOBBWADUGVAK-UEVCKROQSA-N 2 2 472.678 2.095 20 0 JEADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164926908 721874067 /nfs/dbraw/zinc/87/40/67/721874067.db2.gz SPVOBBWADUGVAK-UEVCKROQSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164926908 721874068 /nfs/dbraw/zinc/87/40/68/721874068.db2.gz SPVOBBWADUGVAK-UEVCKROQSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164926908 721874071 /nfs/dbraw/zinc/87/40/71/721874071.db2.gz SPVOBBWADUGVAK-UEVCKROQSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[NH+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164926908 721874072 /nfs/dbraw/zinc/87/40/72/721874072.db2.gz SPVOBBWADUGVAK-UEVCKROQSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[NH+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164926908 721874074 /nfs/dbraw/zinc/87/40/74/721874074.db2.gz SPVOBBWADUGVAK-UEVCKROQSA-N 2 2 472.678 2.095 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165038734 721914726 /nfs/dbraw/zinc/91/47/26/721914726.db2.gz PNCSUWQXQOBKFF-WOJBJXKFSA-N 2 2 459.635 2.181 20 0 JEADLP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165038734 721914730 /nfs/dbraw/zinc/91/47/30/721914730.db2.gz PNCSUWQXQOBKFF-WOJBJXKFSA-N 2 2 459.635 2.181 20 0 JEADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[NH2+]C[C@@H]3C(=O)OC)c2c1C ZINC001164630071 719136804 /nfs/dbraw/zinc/13/68/04/719136804.db2.gz GCIAEQSAPUERII-OAHLLOKOSA-N 2 2 461.588 2.114 20 0 JEADLP CN1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)COc2ccccc2S1(=O)=O ZINC001164692133 719780127 /nfs/dbraw/zinc/78/01/27/719780127.db2.gz RZHLLRJYQDHSJN-UHFFFAOYSA-N 2 2 471.627 2.133 20 0 JEADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3S(=O)(=O)c2ccccc2)C1 ZINC001164730535 720510818 /nfs/dbraw/zinc/51/08/18/720510818.db2.gz MHOGDNGBQANQHO-KRWDZBQOSA-N 2 2 451.556 2.063 20 0 JEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@H]2C1 ZINC001164853766 720838254 /nfs/dbraw/zinc/83/82/54/720838254.db2.gz PFFBABDJAUTBKB-SIKLNZKXSA-N 2 2 485.610 2.150 20 0 JEADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@H]2C1 ZINC001164853766 720838257 /nfs/dbraw/zinc/83/82/57/720838257.db2.gz PFFBABDJAUTBKB-SIKLNZKXSA-N 2 2 485.610 2.150 20 0 JEADLP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164757768 720897069 /nfs/dbraw/zinc/89/70/69/720897069.db2.gz VOZRFHMYBYIVIA-JYFHCDHNSA-N 2 2 464.614 2.463 20 0 JEADLP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164757768 720897072 /nfs/dbraw/zinc/89/70/72/720897072.db2.gz VOZRFHMYBYIVIA-JYFHCDHNSA-N 2 2 464.614 2.463 20 0 JEADLP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164779555 721324677 /nfs/dbraw/zinc/32/46/77/721324677.db2.gz YXWJKOOSGKQNJJ-UHFFFAOYSA-N 2 2 461.570 2.021 20 0 JEADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)C1 ZINC001164783788 721358857 /nfs/dbraw/zinc/35/88/57/721358857.db2.gz PJZLHJRDCUVHKE-XMMPIXPASA-N 3 2 455.607 2.128 20 0 JEADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)C1 ZINC001164783788 721358862 /nfs/dbraw/zinc/35/88/62/721358862.db2.gz PJZLHJRDCUVHKE-XMMPIXPASA-N 3 2 455.607 2.128 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)N4c4nccs4)C3)[nH+]2)CC1 ZINC001164900918 721495035 /nfs/dbraw/zinc/49/50/35/721495035.db2.gz SGIOTCIBUOOJPN-VAMGGRTRSA-N 2 2 465.631 2.055 20 0 JEADLP Clc1cc(C2CC[NH2+]CC2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164910358 721775694 /nfs/dbraw/zinc/77/56/94/721775694.db2.gz BGGCPKCWKOFIBD-QHCPKHFHSA-N 2 2 458.994 2.100 20 0 JEADLP Clc1cc(C2CC[NH2+]CC2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164910358 721775697 /nfs/dbraw/zinc/77/56/97/721775697.db2.gz BGGCPKCWKOFIBD-QHCPKHFHSA-N 2 2 458.994 2.100 20 0 JEADLP CN1CC[NH+](Cc2cc3nc(N4CCC(C[NH+](C)C)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001165045741 721947933 /nfs/dbraw/zinc/94/79/33/721947933.db2.gz ZGTYFMVOVIWFIQ-UHFFFAOYSA-N 2 2 473.691 2.053 20 0 JEADLP CC[NH+](CC)C1CCN(c2nc3ccc(OC)cc3nc2O[C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001165052970 722002910 /nfs/dbraw/zinc/00/29/10/722002910.db2.gz HCCLYTWDISEBTR-NQIIRXRSSA-N 2 2 457.575 2.231 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164970055 722082243 /nfs/dbraw/zinc/08/22/43/722082243.db2.gz UAYKIUSCIGONJN-FGZHOGPDSA-N 2 2 453.562 2.226 20 0 JEADLP CC(C)NC(=O)c1ccc2c(c1)C1(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC1)C(=O)N2 ZINC001164990587 722187982 /nfs/dbraw/zinc/18/79/82/722187982.db2.gz LEQNZGZINRAOIZ-UHFFFAOYSA-N 2 2 462.598 2.462 20 0 JEADLP CN1CC[NH+](Cc2cc3nc(N4CCC5(CCCC[NH2+]5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164388607 718803347 /nfs/dbraw/zinc/80/33/47/718803347.db2.gz XUNILVJUNXJITK-UHFFFAOYSA-N 2 2 485.702 2.388 20 0 JEADLP O=C(c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1)N1CC[NH2+]CC1 ZINC001164670241 719515663 /nfs/dbraw/zinc/51/56/63/719515663.db2.gz BYRXRERKXDCVPZ-UHFFFAOYSA-N 2 2 453.562 2.138 20 0 JEADLP O=C(c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1)N1CC[NH2+]CC1 ZINC001164670241 719515670 /nfs/dbraw/zinc/51/56/70/719515670.db2.gz BYRXRERKXDCVPZ-UHFFFAOYSA-N 2 2 453.562 2.138 20 0 JEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164820017 720377990 /nfs/dbraw/zinc/37/79/90/720377990.db2.gz KJDRAGFCYSDHKF-UHFFFAOYSA-N 2 2 461.035 2.459 20 0 JEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164820017 720377995 /nfs/dbraw/zinc/37/79/95/720377995.db2.gz KJDRAGFCYSDHKF-UHFFFAOYSA-N 2 2 461.035 2.459 20 0 JEADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164836421 720720915 /nfs/dbraw/zinc/72/09/15/720720915.db2.gz AFSRSGYGWXFTLM-LEWJYISDSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164836421 720720921 /nfs/dbraw/zinc/72/09/21/720720921.db2.gz AFSRSGYGWXFTLM-LEWJYISDSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164836421 720720925 /nfs/dbraw/zinc/72/09/25/720720925.db2.gz AFSRSGYGWXFTLM-LEWJYISDSA-N 2 2 450.587 2.191 20 0 JEADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164836421 720720929 /nfs/dbraw/zinc/72/09/29/720720929.db2.gz AFSRSGYGWXFTLM-LEWJYISDSA-N 2 2 450.587 2.191 20 0 JEADLP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCOCC4)[nH+]cn2)C3)c1 ZINC001164752231 720874285 /nfs/dbraw/zinc/87/42/85/720874285.db2.gz MFFGBLXSUWSMMD-BVAGGSTKSA-N 2 2 464.614 2.463 20 0 JEADLP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCOCC4)[nH+]cn2)C3)c1 ZINC001164752231 720874288 /nfs/dbraw/zinc/87/42/88/720874288.db2.gz MFFGBLXSUWSMMD-BVAGGSTKSA-N 2 2 464.614 2.463 20 0 JEADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(ccn5S(=O)(=O)c5ccccc5)c[nH+]4)C[C@@H]3C2)cn1 ZINC001164774434 721188350 /nfs/dbraw/zinc/18/83/50/721188350.db2.gz ZEHAKAXIZAPUAY-RTWAWAEBSA-N 2 2 477.594 2.360 20 0 JEADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5c(ccn5S(=O)(=O)c5ccccc5)c[nH+]4)C[C@@H]3C2)cn1 ZINC001164774434 721188363 /nfs/dbraw/zinc/18/83/63/721188363.db2.gz ZEHAKAXIZAPUAY-RTWAWAEBSA-N 2 2 477.594 2.360 20 0 JEADLP CN1CC[NH+](Cc2cc3nc(N4CC[NH+](C5CCCC5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001165032667 721859061 /nfs/dbraw/zinc/85/90/61/721859061.db2.gz YNQNNLBIKFJHGB-UHFFFAOYSA-N 2 2 485.702 2.340 20 0 JEADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c2c1C ZINC001164408265 718852943 /nfs/dbraw/zinc/85/29/43/718852943.db2.gz RSPVWKXCUTXKBJ-WAIKUNEKSA-N 2 2 459.616 2.180 20 0 JEADLP O=C(c1nn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164815588 720248700 /nfs/dbraw/zinc/24/87/00/720248700.db2.gz CISYIHSDYKQEIG-UHFFFAOYSA-N 2 2 493.637 2.427 20 0 JEADLP O=C(c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164740358 720727465 /nfs/dbraw/zinc/72/74/65/720727465.db2.gz KGVHHBAPPWQLBM-BJKOFHAPSA-N 2 2 499.619 2.172 20 0 JEADLP O=C(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164740358 720727470 /nfs/dbraw/zinc/72/74/70/720727470.db2.gz KGVHHBAPPWQLBM-BJKOFHAPSA-N 2 2 499.619 2.172 20 0 JEADLP COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164875087 721224500 /nfs/dbraw/zinc/22/45/00/721224500.db2.gz WARDHOJXVHAWSI-OAQYLSRUSA-N 2 2 466.630 2.320 20 0 JEADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)CC2)C1 ZINC001164868594 721264876 /nfs/dbraw/zinc/26/48/76/721264876.db2.gz DLOSYZNWKKAQTR-UHFFFAOYSA-N 2 2 478.641 2.042 20 0 JEADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)CC2)C1 ZINC001164868594 721264878 /nfs/dbraw/zinc/26/48/78/721264878.db2.gz DLOSYZNWKKAQTR-UHFFFAOYSA-N 2 2 478.641 2.042 20 0 JEADLP CN(C)C(=O)C[NH+]1CCOCC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)C1 ZINC001164868594 721264884 /nfs/dbraw/zinc/26/48/84/721264884.db2.gz DLOSYZNWKKAQTR-UHFFFAOYSA-N 2 2 478.641 2.042 20 0 JEADLP CN(C)C(=O)C[NH+]1CCOCC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)C1 ZINC001164868594 721264890 /nfs/dbraw/zinc/26/48/90/721264890.db2.gz DLOSYZNWKKAQTR-UHFFFAOYSA-N 2 2 478.641 2.042 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)N4c4nccs4)C3)[nH+]2)CC1 ZINC001164900920 721495007 /nfs/dbraw/zinc/49/50/07/721495007.db2.gz SGIOTCIBUOOJPN-XUVXKRRUSA-N 2 2 465.631 2.055 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164970054 722082324 /nfs/dbraw/zinc/08/23/24/722082324.db2.gz UAYKIUSCIGONJN-FCHUYYIVSA-N 2 2 453.562 2.226 20 0 JEADLP C[NH+](C)CCOCc1ncn2c1CN(c1[nH+]cnc3c1ccn3S(=O)(=O)c1ccccc1)CCC2 ZINC001165001022 722252133 /nfs/dbraw/zinc/25/21/33/722252133.db2.gz YNPJJRKZNVXVRN-UHFFFAOYSA-N 2 2 495.609 2.353 20 0 JEADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CCC2 ZINC001165003677 722257457 /nfs/dbraw/zinc/25/74/57/722257457.db2.gz GEUIPSVZDKVTBK-UHFFFAOYSA-N 2 2 476.629 2.488 20 0 JEADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCN(c4ccccc4)CC3)nc[nH+]1)CCC2 ZINC001165003677 722257460 /nfs/dbraw/zinc/25/74/60/722257460.db2.gz GEUIPSVZDKVTBK-UHFFFAOYSA-N 2 2 476.629 2.488 20 0 JEADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c2c1C ZINC001164408262 718852975 /nfs/dbraw/zinc/85/29/75/718852975.db2.gz RSPVWKXCUTXKBJ-HJPURHCSSA-N 2 2 459.616 2.180 20 0 JEADLP COCCN1CC[N@H+](C)C2(CCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC2)C1=O ZINC001164635650 719271655 /nfs/dbraw/zinc/27/16/55/719271655.db2.gz SOTIYLIHHKYNCA-UHFFFAOYSA-N 2 2 463.626 2.399 20 0 JEADLP COCCN1CC[N@@H+](C)C2(CCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC2)C1=O ZINC001164635650 719271657 /nfs/dbraw/zinc/27/16/57/719271657.db2.gz SOTIYLIHHKYNCA-UHFFFAOYSA-N 2 2 463.626 2.399 20 0 JEADLP COCCN1CC[NH+](C)C2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)C1=O ZINC001164635650 719271658 /nfs/dbraw/zinc/27/16/58/719271658.db2.gz SOTIYLIHHKYNCA-UHFFFAOYSA-N 2 2 463.626 2.399 20 0 JEADLP COCCN1CC[NH+](C)C2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)C1=O ZINC001164635650 719271660 /nfs/dbraw/zinc/27/16/60/719271660.db2.gz SOTIYLIHHKYNCA-UHFFFAOYSA-N 2 2 463.626 2.399 20 0 JEADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164711290 720128583 /nfs/dbraw/zinc/12/85/83/720128583.db2.gz HBGXXNJETZVJLV-JOCHJYFZSA-N 3 2 451.619 2.307 20 0 JEADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164711290 720128589 /nfs/dbraw/zinc/12/85/89/720128589.db2.gz HBGXXNJETZVJLV-JOCHJYFZSA-N 3 2 451.619 2.307 20 0 JEADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)n2)cc1 ZINC001164715071 720202747 /nfs/dbraw/zinc/20/27/47/720202747.db2.gz JAGXZWJSQZNTAV-HSZRJFAPSA-N 2 2 492.628 2.466 20 0 JEADLP O=C(c1nn(-c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164817690 720246857 /nfs/dbraw/zinc/24/68/57/720246857.db2.gz SZTSPJXKTIYZTB-UHFFFAOYSA-N 2 2 493.637 2.427 20 0 JEADLP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)c2c1C ZINC001164815739 720248421 /nfs/dbraw/zinc/24/84/21/720248421.db2.gz DTTKBIZKXYSKHN-UHFFFAOYSA-N 2 2 467.599 2.165 20 0 JEADLP O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164740360 720727585 /nfs/dbraw/zinc/72/75/85/720727585.db2.gz KGVHHBAPPWQLBM-RPWUZVMVSA-N 2 2 499.619 2.172 20 0 JEADLP O=C(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164740360 720727594 /nfs/dbraw/zinc/72/75/94/720727594.db2.gz KGVHHBAPPWQLBM-RPWUZVMVSA-N 2 2 499.619 2.172 20 0 JEADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(cc(C(=O)N(C)C)n4C4CCCC4)c[nH+]3)CC[C@H]2C1 ZINC001164852720 720855450 /nfs/dbraw/zinc/85/54/50/720855450.db2.gz FOSQKDUIIZZOIH-AVRDEDQJSA-N 2 2 470.618 2.422 20 0 JEADLP COCC[N@H+]1CCO[C@H]2CN(c3nc4c(cc(C(=O)N(C)C)n4C4CCCC4)c[nH+]3)CC[C@H]2C1 ZINC001164852720 720855452 /nfs/dbraw/zinc/85/54/52/720855452.db2.gz FOSQKDUIIZZOIH-AVRDEDQJSA-N 2 2 470.618 2.422 20 0 JEADLP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCOCC4)[nH+]cn2)C3)c1 ZINC001164752239 720873957 /nfs/dbraw/zinc/87/39/57/720873957.db2.gz MFFGBLXSUWSMMD-ZEQKJWHPSA-N 2 2 464.614 2.463 20 0 JEADLP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCOCC4)[nH+]cn2)C3)c1 ZINC001164752239 720873960 /nfs/dbraw/zinc/87/39/60/720873960.db2.gz MFFGBLXSUWSMMD-ZEQKJWHPSA-N 2 2 464.614 2.463 20 0 JEADLP CN1CC[NH+](Cc2cc3nc(N4CC5(C4)CC[N@H+](CC4CC4)C5)nc(N4CCOCC4)c3s2)CC1 ZINC001164769688 721296685 /nfs/dbraw/zinc/29/66/85/721296685.db2.gz LUYLGGWTUOGDBG-UHFFFAOYSA-N 2 2 497.713 2.197 20 0 JEADLP CN1CC[NH+](Cc2cc3nc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)nc(N4CCOCC4)c3s2)CC1 ZINC001164769688 721296686 /nfs/dbraw/zinc/29/66/86/721296686.db2.gz LUYLGGWTUOGDBG-UHFFFAOYSA-N 2 2 497.713 2.197 20 0 JEADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972682 722138617 /nfs/dbraw/zinc/13/86/17/722138617.db2.gz AGYSPCAVQNXFSW-FGZHOGPDSA-N 2 2 464.618 2.194 20 0 JEADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972682 722138618 /nfs/dbraw/zinc/13/86/18/722138618.db2.gz AGYSPCAVQNXFSW-FGZHOGPDSA-N 2 2 464.618 2.194 20 0 JEADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708610 719933082 /nfs/dbraw/zinc/93/30/82/719933082.db2.gz NBQAEGGMJDMYGA-OAQYLSRUSA-N 2 2 451.619 2.312 20 0 JEADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708610 719933083 /nfs/dbraw/zinc/93/30/83/719933083.db2.gz NBQAEGGMJDMYGA-OAQYLSRUSA-N 2 2 451.619 2.312 20 0 JEADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]2)CC1 ZINC001164822065 720315847 /nfs/dbraw/zinc/31/58/47/720315847.db2.gz MMGHCOXIXUAQTD-XZOQPEGZSA-N 2 2 462.598 2.274 20 0 JEADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]2)C1 ZINC001164734637 720522638 /nfs/dbraw/zinc/52/26/38/720522638.db2.gz RJMQAKYSFPZJMV-QGZVFWFLSA-N 2 2 451.556 2.063 20 0 JEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(cc(C(=O)N(C)C)n4C4CCCC4)c[nH+]3)CC[C@@H]2C1 ZINC001164852726 720855177 /nfs/dbraw/zinc/85/51/77/720855177.db2.gz FOSQKDUIIZZOIH-XMSQKQJNSA-N 2 2 470.618 2.422 20 0 JEADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc4c(cc(C(=O)N(C)C)n4C4CCCC4)c[nH+]3)CC[C@@H]2C1 ZINC001164852726 720855180 /nfs/dbraw/zinc/85/51/80/720855180.db2.gz FOSQKDUIIZZOIH-XMSQKQJNSA-N 2 2 470.618 2.422 20 0 JEADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC2)C1 ZINC001164873557 721276066 /nfs/dbraw/zinc/27/60/66/721276066.db2.gz OKCGEPGMNIRZMN-UHFFFAOYSA-N 2 2 462.598 2.487 20 0 JEADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC2)C1 ZINC001164873557 721276078 /nfs/dbraw/zinc/27/60/78/721276078.db2.gz OKCGEPGMNIRZMN-UHFFFAOYSA-N 2 2 462.598 2.487 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)N4c4nccs4)C3)[nH+]2)CC1 ZINC001164900914 721494816 /nfs/dbraw/zinc/49/48/16/721494816.db2.gz SGIOTCIBUOOJPN-HSALFYBXSA-N 2 2 465.631 2.055 20 0 JEADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)n2)cc1 ZINC001164794349 721521570 /nfs/dbraw/zinc/52/15/70/721521570.db2.gz BZIDRUCGGYSDCA-UHFFFAOYSA-N 2 2 462.602 2.086 20 0 JEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164804731 721576431 /nfs/dbraw/zinc/57/64/31/721576431.db2.gz MOXOJFYVEOOSEL-YPAWHYETSA-N 2 2 464.618 2.335 20 0 JEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164804731 721576433 /nfs/dbraw/zinc/57/64/33/721576433.db2.gz MOXOJFYVEOOSEL-YPAWHYETSA-N 2 2 464.618 2.335 20 0 JEADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC(=O)NC4(CC[NH2+]CC4)C3)c2c1C ZINC001164391082 718809662 /nfs/dbraw/zinc/80/96/62/718809662.db2.gz FOOCONKQSHGMAU-UHFFFAOYSA-N 2 2 486.642 2.221 20 0 JEADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C2)C1 ZINC001164718189 720257386 /nfs/dbraw/zinc/25/73/86/720257386.db2.gz CRFZLDBGHHHMAP-RUZDIDTESA-N 2 2 466.561 2.284 20 0 JEADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C2)C1 ZINC001164718189 720257402 /nfs/dbraw/zinc/25/74/02/720257402.db2.gz CRFZLDBGHHHMAP-RUZDIDTESA-N 2 2 466.561 2.284 20 0 JEADLP COc1cc2cc[nH+]c(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2cc1OC ZINC001164831765 720456525 /nfs/dbraw/zinc/45/65/25/720456525.db2.gz PYSUFVFRDXAEGV-IBGZPJMESA-N 2 2 467.570 2.438 20 0 JEADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164862219 720879399 /nfs/dbraw/zinc/87/93/99/720879399.db2.gz RJLGOKFZBXRLHH-OFNKIYASSA-N 2 2 470.593 2.116 20 0 JEADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164862219 720879404 /nfs/dbraw/zinc/87/94/04/720879404.db2.gz RJLGOKFZBXRLHH-OFNKIYASSA-N 2 2 470.593 2.116 20 0 JEADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(ccn5S(=O)(=O)c5ccccc5)c[nH+]4)C[C@H]3C2)cn1 ZINC001164774431 721187682 /nfs/dbraw/zinc/18/76/82/721187682.db2.gz ZEHAKAXIZAPUAY-LEWJYISDSA-N 2 2 477.594 2.360 20 0 JEADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(ccn5S(=O)(=O)c5ccccc5)c[nH+]4)C[C@H]3C2)cn1 ZINC001164774431 721187692 /nfs/dbraw/zinc/18/76/92/721187692.db2.gz ZEHAKAXIZAPUAY-LEWJYISDSA-N 2 2 477.594 2.360 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)N4c4nccs4)C3)[nH+]2)CC1 ZINC001164900916 721495093 /nfs/dbraw/zinc/49/50/93/721495093.db2.gz SGIOTCIBUOOJPN-SLFFLAALSA-N 2 2 465.631 2.055 20 0 JEADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164926910 721873857 /nfs/dbraw/zinc/87/38/57/721873857.db2.gz SPVOBBWADUGVAK-WTIAFYNJSA-N 2 2 472.678 2.095 20 0 JEADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164926910 721873858 /nfs/dbraw/zinc/87/38/58/721873858.db2.gz SPVOBBWADUGVAK-WTIAFYNJSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164926910 721873861 /nfs/dbraw/zinc/87/38/61/721873861.db2.gz SPVOBBWADUGVAK-WTIAFYNJSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164926910 721873863 /nfs/dbraw/zinc/87/38/63/721873863.db2.gz SPVOBBWADUGVAK-WTIAFYNJSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[NH+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164926910 721873864 /nfs/dbraw/zinc/87/38/64/721873864.db2.gz SPVOBBWADUGVAK-WTIAFYNJSA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[NH+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164926910 721873867 /nfs/dbraw/zinc/87/38/67/721873867.db2.gz SPVOBBWADUGVAK-WTIAFYNJSA-N 2 2 472.678 2.095 20 0 JEADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164961592 722058207 /nfs/dbraw/zinc/05/82/07/722058207.db2.gz MKANEDOAJKMSGI-UHFFFAOYSA-N 2 2 480.613 2.380 20 0 JEADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164961592 722058208 /nfs/dbraw/zinc/05/82/08/722058208.db2.gz MKANEDOAJKMSGI-UHFFFAOYSA-N 2 2 480.613 2.380 20 0 JEADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1C ZINC001164403418 718840047 /nfs/dbraw/zinc/84/00/47/718840047.db2.gz IQDCOKUJVZTWHU-KRWDZBQOSA-N 2 2 458.632 2.256 20 0 JEADLP C[NH+]1CCN(c2ccc(N3CCO[C@@H](c4[nH+]cn5c4cccc5Br)C3)nn2)CC1 ZINC001164422053 718889540 /nfs/dbraw/zinc/88/95/40/718889540.db2.gz ZLEBCKYMZRGUTL-MRXNPFEDSA-N 2 2 458.364 2.217 20 0 JEADLP Cc1cccc(CN2C(=O)COC3(CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC3)[C@@H]2C)n1 ZINC001164428878 718950819 /nfs/dbraw/zinc/95/08/19/718950819.db2.gz LLWABLMPLOQUAK-NRFANRHFSA-N 2 2 464.614 2.323 20 0 JEADLP Cn1nnc2c1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713001 720171832 /nfs/dbraw/zinc/17/18/32/720171832.db2.gz JGFSGBDAIKYTSB-RUZDIDTESA-N 2 2 488.640 2.380 20 0 JEADLP Cn1nnc2c1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713001 720171836 /nfs/dbraw/zinc/17/18/36/720171836.db2.gz JGFSGBDAIKYTSB-RUZDIDTESA-N 2 2 488.640 2.380 20 0 JEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CC3)C2=O)cs1 ZINC001164821179 720376761 /nfs/dbraw/zinc/37/67/61/720376761.db2.gz ZORUZBMHVXHBAN-UHFFFAOYSA-N 3 2 469.659 2.087 20 0 JEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CC3)C2=O)cs1 ZINC001164821179 720376765 /nfs/dbraw/zinc/37/67/65/720376765.db2.gz ZORUZBMHVXHBAN-UHFFFAOYSA-N 3 2 469.659 2.087 20 0 JEADLP Cc1cc2c(nc[nH+]c2N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1S(=O)(=O)c1ccccc1 ZINC001164733278 720509273 /nfs/dbraw/zinc/50/92/73/720509273.db2.gz ZTQQAYCYASJYDG-SFHVURJKSA-N 2 2 465.583 2.371 20 0 JEADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001164732189 720519471 /nfs/dbraw/zinc/51/94/71/720519471.db2.gz ZOURHFMWCRIGIS-HSZRJFAPSA-N 2 2 473.625 2.434 20 0 JEADLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@H]2C1 ZINC001164853769 720837901 /nfs/dbraw/zinc/83/79/01/720837901.db2.gz PFFBABDJAUTBKB-UGKGYDQZSA-N 2 2 485.610 2.150 20 0 JEADLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@H]2C1 ZINC001164853769 720837904 /nfs/dbraw/zinc/83/79/04/720837904.db2.gz PFFBABDJAUTBKB-UGKGYDQZSA-N 2 2 485.610 2.150 20 0 JEADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164762037 721223094 /nfs/dbraw/zinc/22/30/94/721223094.db2.gz BYVSBRXAEHGCJY-XZOQPEGZSA-N 2 2 458.614 2.495 20 0 JEADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164762037 721223099 /nfs/dbraw/zinc/22/30/99/721223099.db2.gz BYVSBRXAEHGCJY-XZOQPEGZSA-N 2 2 458.614 2.495 20 0 JEADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)C1 ZINC001164874520 721275795 /nfs/dbraw/zinc/27/57/95/721275795.db2.gz TXLZBFRYVGXMHX-UHFFFAOYSA-N 2 2 450.027 2.338 20 0 JEADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)C1 ZINC001164874520 721275801 /nfs/dbraw/zinc/27/58/01/721275801.db2.gz TXLZBFRYVGXMHX-UHFFFAOYSA-N 2 2 450.027 2.338 20 0 JEADLP COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164776181 721308551 /nfs/dbraw/zinc/30/85/51/721308551.db2.gz LYMFDWDAEDDBPS-UHFFFAOYSA-N 2 2 450.587 2.220 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CCC(c4nc5ccc(N6CCOCC6)cn5n4)CC3)[nH+]2)CC1 ZINC001164883615 721361354 /nfs/dbraw/zinc/36/13/54/721361354.db2.gz QPTYKEITRDGMKB-UHFFFAOYSA-N 2 2 462.602 2.097 20 0 JEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164804729 721576045 /nfs/dbraw/zinc/57/60/45/721576045.db2.gz MOXOJFYVEOOSEL-BHDDXSALSA-N 2 2 464.618 2.335 20 0 JEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164804729 721576049 /nfs/dbraw/zinc/57/60/49/721576049.db2.gz MOXOJFYVEOOSEL-BHDDXSALSA-N 2 2 464.618 2.335 20 0 JEADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164926904 721873783 /nfs/dbraw/zinc/87/37/83/721873783.db2.gz SPVOBBWADUGVAK-AJSBUHFISA-N 2 2 472.678 2.095 20 0 JEADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164926904 721873784 /nfs/dbraw/zinc/87/37/84/721873784.db2.gz SPVOBBWADUGVAK-AJSBUHFISA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[NH+]1CC[C@H](CO)C1 ZINC001164926904 721873787 /nfs/dbraw/zinc/87/37/87/721873787.db2.gz SPVOBBWADUGVAK-AJSBUHFISA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[NH+]1CC[C@H](CO)C1 ZINC001164926904 721873789 /nfs/dbraw/zinc/87/37/89/721873789.db2.gz SPVOBBWADUGVAK-AJSBUHFISA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[NH+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164926904 721873792 /nfs/dbraw/zinc/87/37/92/721873792.db2.gz SPVOBBWADUGVAK-AJSBUHFISA-N 2 2 472.678 2.095 20 0 JEADLP CN(C)CC[NH+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164926904 721873793 /nfs/dbraw/zinc/87/37/93/721873793.db2.gz SPVOBBWADUGVAK-AJSBUHFISA-N 2 2 472.678 2.095 20 0 JEADLP CC[NH+](CC)C1CCN(c2nc3ccc(OC)cc3nc2O[C@H]2C[NH2+][C@@H](C(=O)OC)C2)CC1 ZINC001165052972 722002999 /nfs/dbraw/zinc/00/29/99/722002999.db2.gz HCCLYTWDISEBTR-WIYYLYMNSA-N 2 2 457.575 2.231 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164970059 722082332 /nfs/dbraw/zinc/08/23/32/722082332.db2.gz UAYKIUSCIGONJN-VXKWHMMOSA-N 2 2 453.562 2.226 20 0 JEADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@@H]4C3)[nH+]2)CC1 ZINC001164992957 722187148 /nfs/dbraw/zinc/18/71/48/722187148.db2.gz WTEICDFVANCKOR-ZJSXRUAMSA-N 2 2 455.628 2.015 20 0 JEADLP