smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC(NCCOCC[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014861 740634676 /nfs/dbraw/zinc/63/46/76/740634676.db2.gz MPSPBRBQGISPSU-HZPDHXFCSA-N 2 3 305.466 1.993 20 0 DDADHP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206163891 776741513 /nfs/dbraw/zinc/74/15/13/776741513.db2.gz HCYNFGWYOKFOQV-SJORKVTESA-N 2 3 309.429 1.888 20 0 DDADHP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206163891 776741520 /nfs/dbraw/zinc/74/15/20/776741520.db2.gz HCYNFGWYOKFOQV-SJORKVTESA-N 2 3 309.429 1.888 20 0 DDADHP C[C@@H](CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)CC(C)(C)CC[NH3+] ZINC001220763455 879237902 /nfs/dbraw/zinc/23/79/02/879237902.db2.gz CPCACTUITAKHEQ-CABCVRRESA-N 2 3 324.513 1.378 20 0 DDADHP C[C@@H](CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)CC(C)(C)CC[NH3+] ZINC001220763455 879237915 /nfs/dbraw/zinc/23/79/15/879237915.db2.gz CPCACTUITAKHEQ-CABCVRRESA-N 2 3 324.513 1.378 20 0 DDADHP c1c(CN2CCC(N3CC[NH2+]CC3)CC2)sc2c1CC[NH2+]C2 ZINC001236129686 889111741 /nfs/dbraw/zinc/11/17/41/889111741.db2.gz YOECGEOWJKETOG-UHFFFAOYSA-N 2 3 320.506 1.263 20 0 DDADHP [NH3+]C1CCN([C@@H]2CCN(Cc3cc4c(s3)C[NH2+]CC4)C2)CC1 ZINC001236622874 889279004 /nfs/dbraw/zinc/27/90/04/889279004.db2.gz QDMVKMFGOIOCCA-OAHLLOKOSA-N 2 3 320.506 1.391 20 0 DDADHP [NH3+]CC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246015908 892333860 /nfs/dbraw/zinc/33/38/60/892333860.db2.gz JBNKYGYKCQXEGW-UHFFFAOYSA-N 2 3 317.477 1.684 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CC[C@@H](C)[NH2+]C3)C[C@H](C1)N2 ZINC001246101014 892415144 /nfs/dbraw/zinc/41/51/44/892415144.db2.gz UVCQIAKSWAJWPJ-MREZPZHESA-N 2 3 309.454 1.036 20 0 DDADHP C1OC2(C[C@H]1N[C@@H]1CC[NH2+]C3(CCCCC3)C1)CC[NH2+]CC2 ZINC001246181796 892467068 /nfs/dbraw/zinc/46/70/68/892467068.db2.gz SAXSVWDQWKJECD-HZPDHXFCSA-N 2 3 307.482 1.942 20 0 DDADHP [NH3+]CCOCCOCCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246284091 892513563 /nfs/dbraw/zinc/51/35/63/892513563.db2.gz KNBAFIGQRWYLEA-DLBZAZTESA-N 2 3 307.438 1.061 20 0 DDADHP [NH3+]C1(c2ccc(F)cc2)CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246385495 892588719 /nfs/dbraw/zinc/58/87/19/892588719.db2.gz FINCIYIXLOFRNG-MRXNPFEDSA-N 2 3 318.440 1.170 20 0 DDADHP NC1(c2ccc(F)cc2)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246385495 892588722 /nfs/dbraw/zinc/58/87/22/892588722.db2.gz FINCIYIXLOFRNG-MRXNPFEDSA-N 2 3 318.440 1.170 20 0 DDADHP [NH3+]CCCP(CCC[NH2+]C1CCNCC1)c1ccccc1 ZINC001246465086 892642779 /nfs/dbraw/zinc/64/27/79/892642779.db2.gz ZLWXJXKRACWJTB-UHFFFAOYSA-N 2 3 307.422 1.874 20 0 DDADHP NC1=CC=C(C2CC[NH+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)NC1 ZINC001246495476 892658166 /nfs/dbraw/zinc/65/81/66/892658166.db2.gz POKQIBMUKMTSRC-IEBWSBKVSA-N 2 3 316.493 1.950 20 0 DDADHP C1=CC[C@@H](CN2CCC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246511145 892668934 /nfs/dbraw/zinc/66/89/34/892668934.db2.gz PYQPBJBJGADETN-AEFFLSMTSA-N 2 3 318.509 1.491 20 0 DDADHP C1=CC[C@H](CN2CCC([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246511148 892668948 /nfs/dbraw/zinc/66/89/48/892668948.db2.gz PYQPBJBJGADETN-WMZOPIPTSA-N 2 3 318.509 1.491 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+][C@@H](C3CCC3)C3C[NH2+]C3)C[C@H](C1)N2 ZINC001246521134 892673658 /nfs/dbraw/zinc/67/36/58/892673658.db2.gz ZGXHJYOVQZCUOP-VUAOMXNLSA-N 2 3 321.465 1.036 20 0 DDADHP CC(C)[NH+]1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635007085 422763935 /nfs/dbraw/zinc/76/39/35/422763935.db2.gz DXXFGXTWSQUUKA-UHFFFAOYSA-N 2 3 303.454 1.776 20 0 DDADHP COc1ccc([C@@H](CN)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420316549 420203429 /nfs/dbraw/zinc/20/34/29/420203429.db2.gz YISPLVMWWLACHY-INIZCTEOSA-N 2 3 303.450 1.813 20 0 DDADHP COc1ccc([C@@H](CN)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420316549 420203431 /nfs/dbraw/zinc/20/34/31/420203431.db2.gz YISPLVMWWLACHY-INIZCTEOSA-N 2 3 303.450 1.813 20 0 DDADHP CC[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000665233341 424762872 /nfs/dbraw/zinc/76/28/72/424762872.db2.gz FIPXXCZKEOIWTN-MSOLQXFVSA-N 2 3 309.498 1.998 20 0 DDADHP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCCN1 ZINC000665233341 424762875 /nfs/dbraw/zinc/76/28/75/424762875.db2.gz FIPXXCZKEOIWTN-MSOLQXFVSA-N 2 3 309.498 1.998 20 0 DDADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000665239587 424764250 /nfs/dbraw/zinc/76/42/50/424764250.db2.gz VBCPZYCJTICAGW-YJBOKZPZSA-N 2 3 305.466 1.860 20 0 DDADHP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505836 288105836 /nfs/dbraw/zinc/10/58/36/288105836.db2.gz IAHAWGSGRGZLSV-BNEJOAPWSA-N 2 3 308.514 1.521 20 0 DDADHP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505836 288105838 /nfs/dbraw/zinc/10/58/38/288105838.db2.gz IAHAWGSGRGZLSV-BNEJOAPWSA-N 2 3 308.514 1.521 20 0 DDADHP C[NH+](C)CCOCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423067691 289170948 /nfs/dbraw/zinc/17/09/48/289170948.db2.gz HVGDXILGNHUXRT-WMZOPIPTSA-N 2 3 319.449 1.410 20 0 DDADHP CN(C)CCOc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000666736808 485341629 /nfs/dbraw/zinc/34/16/29/485341629.db2.gz MNGUUUMOSSLCRU-UHFFFAOYSA-N 2 3 320.481 1.012 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)CC[NH2+]CC3CC3)CC2)CC1 ZINC000870876205 704153979 /nfs/dbraw/zinc/15/39/79/704153979.db2.gz FFOHGFGGDZNXTH-UHFFFAOYSA-N 2 3 322.497 1.051 20 0 DDADHP NCC1([C@@H]2CCCC[N@@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903810977 711288556 /nfs/dbraw/zinc/28/85/56/711288556.db2.gz IMMOUUGWIBEBFZ-YESZJQIVSA-N 2 3 307.482 1.739 20 0 DDADHP NCC1([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903810977 711288558 /nfs/dbraw/zinc/28/85/58/711288558.db2.gz IMMOUUGWIBEBFZ-YESZJQIVSA-N 2 3 307.482 1.739 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CN2CCC([C@@H]3CCC[NH2+]3)CC2)cnn1C ZINC000903873662 711311829 /nfs/dbraw/zinc/31/18/29/711311829.db2.gz JZAHFWSVMBXQRB-QAPCUYQASA-N 2 3 319.497 1.310 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CN2CCC([C@H]3CCC[NH2+]3)CC2)cnn1C ZINC000903873659 711312028 /nfs/dbraw/zinc/31/20/28/711312028.db2.gz JZAHFWSVMBXQRB-CRAIPNDOSA-N 2 3 319.497 1.310 20 0 DDADHP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)[C@@H]2CCCN[C@@H]21 ZINC000925608639 714898916 /nfs/dbraw/zinc/89/89/16/714898916.db2.gz GMAAQJLGVQFKQU-TWMKSMIVSA-N 2 3 309.498 1.590 20 0 DDADHP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)[C@@H]2CCCN[C@@H]21 ZINC000925608639 714898918 /nfs/dbraw/zinc/89/89/18/714898918.db2.gz GMAAQJLGVQFKQU-TWMKSMIVSA-N 2 3 309.498 1.590 20 0 DDADHP CN1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000925847010 714950079 /nfs/dbraw/zinc/95/00/79/714950079.db2.gz QJXOZYUTSMMTMR-BZSNNMDCSA-N 2 3 308.514 1.524 20 0 DDADHP CC(C)[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N(C)C ZINC001183363164 743823694 /nfs/dbraw/zinc/82/36/94/743823694.db2.gz RWXUHUCOHTVTOY-MRXNPFEDSA-N 2 3 314.518 1.305 20 0 DDADHP c1cc(-c2cc(N3CC[NH2+]CC3)ccn2)cc(N2CC[NH2+]CC2)c1 ZINC001205915471 871926490 /nfs/dbraw/zinc/92/64/90/871926490.db2.gz JJNKBOGSFFFIHY-UHFFFAOYSA-N 2 3 323.444 1.568 20 0 DDADHP N[C@H](CCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941353 878610201 /nfs/dbraw/zinc/61/02/01/878610201.db2.gz VXBGSKGESUWSNF-DLBZAZTESA-N 2 3 318.465 1.081 20 0 DDADHP N[C@H](CCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941353 878610203 /nfs/dbraw/zinc/61/02/03/878610203.db2.gz VXBGSKGESUWSNF-DLBZAZTESA-N 2 3 318.465 1.081 20 0 DDADHP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCc1c[nH]c2ccncc12 ZINC001220866184 879329017 /nfs/dbraw/zinc/32/90/17/879329017.db2.gz SJUUWMDHARZTBY-ZDUSSCGKSA-N 2 3 303.410 1.068 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982803 879426513 /nfs/dbraw/zinc/42/65/13/879426513.db2.gz MDCLMRYDPHFSLC-HNNXBMFYSA-N 2 3 322.428 1.058 20 0 DDADHP C1C[C@@H]2C[C@@H]([NH2+]C3CCN(C4CC[NH2+]CC4)CC3)C[C@H](C1)N2 ZINC001246135881 892430313 /nfs/dbraw/zinc/43/03/13/892430313.db2.gz CZKHOOGVDPFYCZ-BJWYYQGGSA-N 2 3 306.498 1.466 20 0 DDADHP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246184517 892469325 /nfs/dbraw/zinc/46/93/25/892469325.db2.gz SNARJWNWRYLFOZ-CVEARBPZSA-N 2 3 307.482 1.800 20 0 DDADHP C([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246184517 892469332 /nfs/dbraw/zinc/46/93/32/892469332.db2.gz SNARJWNWRYLFOZ-CVEARBPZSA-N 2 3 307.482 1.800 20 0 DDADHP Fc1cccc(C2([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246436333 892621786 /nfs/dbraw/zinc/62/17/86/892621786.db2.gz KJCCFJZZLINICH-MRXNPFEDSA-N 2 3 318.440 1.088 20 0 DDADHP C[C@@H]1C[C@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CCN1 ZINC001246541046 892686219 /nfs/dbraw/zinc/68/62/19/892686219.db2.gz NNNUGLSAFMDTDP-SJLPKXTDSA-N 2 3 309.498 1.951 20 0 DDADHP COc1ccc([C@H](CN)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420335734 420218729 /nfs/dbraw/zinc/21/87/29/420218729.db2.gz MCHUPZCRPOMMAJ-IXDOHACOSA-N 2 3 303.450 1.669 20 0 DDADHP COc1ccc([C@H](CN)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420335734 420218732 /nfs/dbraw/zinc/21/87/32/420218732.db2.gz MCHUPZCRPOMMAJ-IXDOHACOSA-N 2 3 303.450 1.669 20 0 DDADHP [NH3+][C@@H]1CCC[C@@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000576838369 308344069 /nfs/dbraw/zinc/34/40/69/308344069.db2.gz QIDCIZDCOMLHBZ-QZTJIDSGSA-N 2 3 316.493 1.839 20 0 DDADHP [NH3+]C1([C@@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@H]2CF)CC1 ZINC001235396025 888615537 /nfs/dbraw/zinc/61/55/37/888615537.db2.gz HTCUHMWKEGINAT-TZMCWYRMSA-N 2 3 309.454 1.903 20 0 DDADHP N[C@H]1CC[N@@H+](C2CCN(C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)C1 ZINC001236617797 889274692 /nfs/dbraw/zinc/27/46/92/889274692.db2.gz XUXFYMOGAXDMHA-ROUUACIJSA-N 2 3 314.477 1.198 20 0 DDADHP N[C@H]1CC[N@H+](C2CCN(C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)C1 ZINC001236617797 889274705 /nfs/dbraw/zinc/27/47/05/889274705.db2.gz XUXFYMOGAXDMHA-ROUUACIJSA-N 2 3 314.477 1.198 20 0 DDADHP [NH3+]C1CCN([C@@H]2CCN(Cc3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC001236621122 889276106 /nfs/dbraw/zinc/27/61/06/889276106.db2.gz HMGNDDVCKWTNQH-GOSISDBHSA-N 2 3 300.450 1.287 20 0 DDADHP O[C@]1(C[NH2+][C@H](c2ccccc2)C2CC[NH2+]CC2)CCCNC1 ZINC001245994423 892311590 /nfs/dbraw/zinc/31/15/90/892311590.db2.gz MWCDYOPWXPFDIF-QZTJIDSGSA-N 2 3 303.450 1.431 20 0 DDADHP O[C@@]1(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)CCCNC1 ZINC001246043869 892379562 /nfs/dbraw/zinc/37/95/62/892379562.db2.gz CWHGZISKBJJZDE-IBGZPJMESA-N 2 3 315.461 1.238 20 0 DDADHP O[C@@]1(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)CCCNC1 ZINC001246043869 892379577 /nfs/dbraw/zinc/37/95/77/892379577.db2.gz CWHGZISKBJJZDE-IBGZPJMESA-N 2 3 315.461 1.238 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@H]3CC4(C[NH2+]C4)CO3)CCN2)cc1 ZINC001246135812 892429958 /nfs/dbraw/zinc/42/99/58/892429958.db2.gz ZIKFQCZEMCIXHB-RCCFBDPRSA-N 2 3 315.461 1.318 20 0 DDADHP CCOC(=O)C[C@H](N[C@H]1CC[NH2+][C@H](CC)C1)C1CC[NH2+]CC1 ZINC001246224875 892487582 /nfs/dbraw/zinc/48/75/82/892487582.db2.gz CCWLRSCPVSPPOL-PMPSAXMXSA-N 2 3 311.470 1.428 20 0 DDADHP C(C1CCCCC1)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246351535 892560391 /nfs/dbraw/zinc/56/03/91/892560391.db2.gz NRJSIWFRAKMVSA-SFHVURJKSA-N 2 3 320.525 1.715 20 0 DDADHP CC1(C)C[C@H](NCCNCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001246403208 892604677 /nfs/dbraw/zinc/60/46/77/892604677.db2.gz CQMGKXVHYFKPAC-QGZVFWFLSA-N 2 3 304.482 1.568 20 0 DDADHP CC1(C)C[C@H](NCCNCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246403208 892604689 /nfs/dbraw/zinc/60/46/89/892604689.db2.gz CQMGKXVHYFKPAC-QGZVFWFLSA-N 2 3 304.482 1.568 20 0 DDADHP C[C@@H]1C[C@@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CCN1 ZINC001246541039 892686838 /nfs/dbraw/zinc/68/68/38/892686838.db2.gz NNNUGLSAFMDTDP-AEFFLSMTSA-N 2 3 309.498 1.951 20 0 DDADHP COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)C[C@H](C1)N2 ZINC001246604318 892728880 /nfs/dbraw/zinc/72/88/80/892728880.db2.gz KTWXAXVZMWVXEX-ZAFVQBNWSA-N 2 3 321.465 1.134 20 0 DDADHP COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)C[C@H](C1)N2 ZINC001246604318 892728887 /nfs/dbraw/zinc/72/88/87/892728887.db2.gz KTWXAXVZMWVXEX-ZAFVQBNWSA-N 2 3 321.465 1.134 20 0 DDADHP FC1(F)CC[NH2+]C[C@@]12CCN([C@H]1CSC3(C[NH2+]C3)C1)C2 ZINC001246640284 892761556 /nfs/dbraw/zinc/76/15/56/892761556.db2.gz RNXANZZMGVBMDG-VXGBXAGGSA-N 2 3 303.422 1.155 20 0 DDADHP CC[C@@H]1CC(N2CCC(N3CC[NH2+]CC3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246886868 892970916 /nfs/dbraw/zinc/97/09/16/892970916.db2.gz LYIDUZNLEXCKMF-HZPDHXFCSA-N 2 3 308.514 1.665 20 0 DDADHP CN1CCC([N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)CC1 ZINC001246988763 893059751 /nfs/dbraw/zinc/05/97/51/893059751.db2.gz JDVWRWIQGANMEH-JLVBRIDZSA-N 2 3 306.498 1.133 20 0 DDADHP CN1CCC([N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)CC1 ZINC001246988763 893059773 /nfs/dbraw/zinc/05/97/73/893059773.db2.gz JDVWRWIQGANMEH-JLVBRIDZSA-N 2 3 306.498 1.133 20 0 DDADHP CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000647794250 423050361 /nfs/dbraw/zinc/05/03/61/423050361.db2.gz VWLHSVICIPPNOY-YESZJQIVSA-N 2 3 318.465 1.500 20 0 DDADHP CN(C)CCOc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccn1 ZINC000423025846 227319058 /nfs/dbraw/zinc/31/90/58/227319058.db2.gz PFEYFPLQCXEYHH-UHFFFAOYSA-N 2 3 306.454 1.629 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)CC[NH2+]CC1 ZINC000423269318 419999471 /nfs/dbraw/zinc/99/94/71/419999471.db2.gz FJZIFHNNEQWKNG-ZNMIVQPWSA-N 2 3 311.470 1.415 20 0 DDADHP CC(C)N1CCN(CCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000420307696 420197204 /nfs/dbraw/zinc/19/72/04/420197204.db2.gz CBPXNWMDXACEKY-IBGZPJMESA-N 2 3 322.541 1.724 20 0 DDADHP CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422861438 529143479 /nfs/dbraw/zinc/14/34/79/529143479.db2.gz MRDHPIGCSZNURT-OTWHNJEPSA-N 2 3 322.541 1.914 20 0 DDADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903751547 711267806 /nfs/dbraw/zinc/26/78/06/711267806.db2.gz KKLKONDPFAAHJL-YESZJQIVSA-N 2 3 307.482 1.609 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925530359 714881776 /nfs/dbraw/zinc/88/17/76/714881776.db2.gz KBASCVADKYSANT-MOPGFXCFSA-N 2 3 322.541 1.770 20 0 DDADHP C[N@@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H]2CCC[C@H]21 ZINC000925848622 714950524 /nfs/dbraw/zinc/95/05/24/714950524.db2.gz BQSNSVLEBLGYPW-XUWVNRHRSA-N 2 3 321.465 1.134 20 0 DDADHP C[N@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H]2CCC[C@H]21 ZINC000925848622 714950527 /nfs/dbraw/zinc/95/05/27/714950527.db2.gz BQSNSVLEBLGYPW-XUWVNRHRSA-N 2 3 321.465 1.134 20 0 DDADHP N[C@H](CCC[NH3+])Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001170902052 771901112 /nfs/dbraw/zinc/90/11/12/771901112.db2.gz AJNITCVQQRVIRG-KRWDZBQOSA-N 3 3 305.470 1.293 20 0 DDADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)[C@H](C)C1 ZINC001221405512 879758794 /nfs/dbraw/zinc/75/87/94/879758794.db2.gz AKJYSVTWEYUZAZ-OWCLPIDISA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)[C@H](C)C1 ZINC001221405512 879758805 /nfs/dbraw/zinc/75/88/05/879758805.db2.gz AKJYSVTWEYUZAZ-OWCLPIDISA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)[C@H](C)C1 ZINC001221405512 879758813 /nfs/dbraw/zinc/75/88/13/879758813.db2.gz AKJYSVTWEYUZAZ-OWCLPIDISA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)[C@H](C)C1 ZINC001221405512 879758825 /nfs/dbraw/zinc/75/88/25/879758825.db2.gz AKJYSVTWEYUZAZ-OWCLPIDISA-N 2 3 322.497 1.096 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CO[C@@]4(CC[NH2+]C4)C3)CCN2)cc1 ZINC001246153569 892447641 /nfs/dbraw/zinc/44/76/41/892447641.db2.gz SUVLYHDDBQVZNO-YRXWBPOGSA-N 2 3 315.461 1.460 20 0 DDADHP c1ccc(C[C@@H]2C[C@H](N[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)CC[NH2+]2)cc1 ZINC001246153569 892447662 /nfs/dbraw/zinc/44/76/62/892447662.db2.gz SUVLYHDDBQVZNO-YRXWBPOGSA-N 2 3 315.461 1.460 20 0 DDADHP C([NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246155693 892451032 /nfs/dbraw/zinc/45/10/32/892451032.db2.gz ZMHLLQLNZACTAJ-NUJGCVRESA-N 2 3 307.482 1.657 20 0 DDADHP CCOC(=O)C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC[NH2+]CC1 ZINC001246227466 892490226 /nfs/dbraw/zinc/49/02/26/892490226.db2.gz LBWBOIHPXIANNR-CVEARBPZSA-N 2 3 323.481 1.572 20 0 DDADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+]C2CCC3(C[NH2+]C3)CC2)c1 ZINC001246341088 892552746 /nfs/dbraw/zinc/55/27/46/892552746.db2.gz OLJCUGMFEUTNRN-WBVHZDCISA-N 2 3 300.450 1.854 20 0 DDADHP C[C@@H]1CC(NCCNCC[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246405457 892606948 /nfs/dbraw/zinc/60/69/48/892606948.db2.gz PFLDPRKLSCRIJV-HZPDHXFCSA-N 2 3 304.482 1.566 20 0 DDADHP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246418104 892615233 /nfs/dbraw/zinc/61/52/33/892615233.db2.gz BCYJHNLRGOQLGP-HZPDHXFCSA-N 2 3 302.466 1.724 20 0 DDADHP CC[C@@H]1C[C@@H](N2CCC[C@@H](N3CC(C[NH3+])C3)C2)C[C@H](CC)[NH2+]1 ZINC001246876011 892963588 /nfs/dbraw/zinc/96/35/88/892963588.db2.gz XFBSHXRYXYHQMA-XMTFNYHQSA-N 2 3 308.514 1.651 20 0 DDADHP C[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CC[NH+](C)CC1 ZINC000090937347 539174304 /nfs/dbraw/zinc/17/43/04/539174304.db2.gz MTBHYKYAYUPROU-HNNXBMFYSA-N 2 3 320.481 1.842 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@]2(C)CCCNC2)CC[NH2+]CC1 ZINC000423347677 285665243 /nfs/dbraw/zinc/66/52/43/285665243.db2.gz RRCQNZBUQMNNIV-GOEBONIOSA-N 2 3 311.470 1.287 20 0 DDADHP [NH3+]CCOCCN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000357072031 409839359 /nfs/dbraw/zinc/83/93/59/409839359.db2.gz DAPZPHGDMZIDRC-MSOLQXFVSA-N 2 3 305.466 1.634 20 0 DDADHP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000353431416 410981872 /nfs/dbraw/zinc/98/18/72/410981872.db2.gz YWXADRXYZGYNRX-SJORKVTESA-N 2 3 322.497 1.049 20 0 DDADHP CCN1CCN(CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788175 423048323 /nfs/dbraw/zinc/04/83/23/423048323.db2.gz DINSJSNMRNEZAV-RCCFBDPRSA-N 2 3 308.514 1.382 20 0 DDADHP CN1CCC[N@H+](CCCNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC1 ZINC000820810139 704334115 /nfs/dbraw/zinc/33/41/15/704334115.db2.gz PPNNGWUPRJWOPM-JLYLLQBASA-N 2 3 320.525 1.761 20 0 DDADHP CN1CCC[N@@H+](CCCNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC1 ZINC000820810139 704334117 /nfs/dbraw/zinc/33/41/17/704334117.db2.gz PPNNGWUPRJWOPM-JLYLLQBASA-N 2 3 320.525 1.761 20 0 DDADHP CN1CCC[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000820810139 704334118 /nfs/dbraw/zinc/33/41/18/704334118.db2.gz PPNNGWUPRJWOPM-JLYLLQBASA-N 2 3 320.525 1.761 20 0 DDADHP CN1CCC[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000820810139 704334120 /nfs/dbraw/zinc/33/41/20/704334120.db2.gz PPNNGWUPRJWOPM-JLYLLQBASA-N 2 3 320.525 1.761 20 0 DDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917891 711331299 /nfs/dbraw/zinc/33/12/99/711331299.db2.gz OILAQJAAKNWZQA-BRWVUGGUSA-N 2 3 319.497 1.167 20 0 DDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917891 711331304 /nfs/dbraw/zinc/33/13/04/711331304.db2.gz OILAQJAAKNWZQA-BRWVUGGUSA-N 2 3 319.497 1.167 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917891 711331307 /nfs/dbraw/zinc/33/13/07/711331307.db2.gz OILAQJAAKNWZQA-BRWVUGGUSA-N 2 3 319.497 1.167 20 0 DDADHP c1cc(N2CC[NH2+]CC2)cc(-c2ccc(N3CC[NH2+]CC3)cc2)n1 ZINC001205563807 871633953 /nfs/dbraw/zinc/63/39/53/871633953.db2.gz BNMMTRYQCBBDER-UHFFFAOYSA-N 2 3 323.444 1.568 20 0 DDADHP [NH3+]CCCCN1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235645662 888837132 /nfs/dbraw/zinc/83/71/32/888837132.db2.gz ISVFJPGYPCTALH-UHFFFAOYSA-N 2 3 305.470 1.860 20 0 DDADHP c1cc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(CN2CC[NH2+]CC2)c1 ZINC001235941032 889025188 /nfs/dbraw/zinc/02/51/88/889025188.db2.gz UMIGSFPNAQOEQJ-OALUTQOASA-N 2 3 314.477 1.133 20 0 DDADHP CCOC(=O)C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC[NH2+]CC1 ZINC001246227470 892489870 /nfs/dbraw/zinc/48/98/70/892489870.db2.gz LBWBOIHPXIANNR-HZPDHXFCSA-N 2 3 323.481 1.572 20 0 DDADHP CC[C@H]1C[C@@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246422318 892617077 /nfs/dbraw/zinc/61/70/77/892617077.db2.gz HYKHWNITUPWFGG-IRXDYDNUSA-N 2 3 302.466 1.823 20 0 DDADHP c1cncc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246424425 892620031 /nfs/dbraw/zinc/62/00/31/892620031.db2.gz UWDZJVIQVOXYCT-SJPCQFCGSA-N 2 3 300.450 1.575 20 0 DDADHP c1ccc(CC2([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246469906 892644812 /nfs/dbraw/zinc/64/48/12/892644812.db2.gz XDAXYMLPGGDJDP-KRWDZBQOSA-N 2 3 314.477 1.035 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](N2CCC(N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246889769 892970596 /nfs/dbraw/zinc/97/05/96/892970596.db2.gz ZRRDUYQMNSLWAX-SJORKVTESA-N 2 3 308.514 1.523 20 0 DDADHP CCCC[C@@H]1C[C@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246973647 893042627 /nfs/dbraw/zinc/04/26/27/893042627.db2.gz HLWJRWXLCGCPLB-KURKYZTESA-N 2 3 308.514 1.795 20 0 DDADHP CN1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)CC1 ZINC000647783919 423046559 /nfs/dbraw/zinc/04/65/59/423046559.db2.gz DTJMNUSXONTGBW-NXOAAHMSSA-N 2 3 306.498 1.133 20 0 DDADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000422904428 227253407 /nfs/dbraw/zinc/25/34/07/227253407.db2.gz XNVCFMHRTPDPFK-QGTPRVQTSA-N 2 3 321.465 1.469 20 0 DDADHP CC[N@H+](CCC1CCN(CCN2CC[NH2+]CC2)CC1)CC(C)C ZINC000420362576 420236865 /nfs/dbraw/zinc/23/68/65/420236865.db2.gz AWSGJTNUCOIJOJ-UHFFFAOYSA-N 2 3 324.557 1.972 20 0 DDADHP CC[N@@H+](CCC1CCN(CCN2CC[NH2+]CC2)CC1)CC(C)C ZINC000420362576 420236866 /nfs/dbraw/zinc/23/68/66/420236866.db2.gz AWSGJTNUCOIJOJ-UHFFFAOYSA-N 2 3 324.557 1.972 20 0 DDADHP C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000665233419 424762035 /nfs/dbraw/zinc/76/20/35/424762035.db2.gz HMENQIBCKVRLNO-CRAIPNDOSA-N 2 3 309.498 1.998 20 0 DDADHP C[C@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233516 424762422 /nfs/dbraw/zinc/76/24/22/424762422.db2.gz JRLPIYPRPHFOTC-MAUKXSAKSA-N 2 3 309.498 1.855 20 0 DDADHP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000422739259 289152806 /nfs/dbraw/zinc/15/28/06/289152806.db2.gz KXAXOIGAGDEYOK-RBUKOAKNSA-N 2 3 316.493 1.994 20 0 DDADHP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCCCCC[NH3+])CC1 ZINC000846221761 703253019 /nfs/dbraw/zinc/25/30/19/703253019.db2.gz NSDKUIJXNPAXTR-ROUUACIJSA-N 2 3 310.530 1.996 20 0 DDADHP CC1([NH+]2CCCC2)CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000886510922 708770840 /nfs/dbraw/zinc/77/08/40/708770840.db2.gz DBJXUAIDJIKUEC-ADKAHSJRSA-N 2 3 309.498 1.830 20 0 DDADHP CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902321825 710715956 /nfs/dbraw/zinc/71/59/56/710715956.db2.gz XLYMLZMOFCULIA-IAGOWNOFSA-N 2 3 310.530 1.628 20 0 DDADHP CC(C)[C@@]1(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC001161446176 866670954 /nfs/dbraw/zinc/67/09/54/866670954.db2.gz QVWOFXTWEFUTIZ-FUHWJXTLSA-N 2 3 324.513 1.154 20 0 DDADHP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(CN(C)C2CC2)cn1 ZINC001163128614 868132999 /nfs/dbraw/zinc/13/29/99/868132999.db2.gz NGISOACKBNVAOR-UHFFFAOYSA-N 2 3 318.469 1.954 20 0 DDADHP CCN(CC)CCNC(=[NH2+])Nc1ccc(C[NH+]2CCCC2)cn1 ZINC001163128639 868133692 /nfs/dbraw/zinc/13/36/92/868133692.db2.gz OIZAMDPIIMIXDA-UHFFFAOYSA-N 2 3 318.469 1.955 20 0 DDADHP C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001205903344 871913483 /nfs/dbraw/zinc/91/34/83/871913483.db2.gz OTUCFGWAPVOMQV-VQIMIIECSA-N 2 3 316.493 1.651 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218995257 877860892 /nfs/dbraw/zinc/86/08/92/877860892.db2.gz DNZVIEPNCNHKJA-WBVHZDCISA-N 2 3 318.465 1.761 20 0 DDADHP Cc1cccc(CN(C[C@@]2(O)CC[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246064492 892398974 /nfs/dbraw/zinc/39/89/74/892398974.db2.gz DSBFCQFHFUMXOY-GUDVDZBRSA-N 2 3 317.477 1.791 20 0 DDADHP C[NH+](C)CC[C@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246178306 892464187 /nfs/dbraw/zinc/46/41/87/892464187.db2.gz NRKSGGCZEYCDBY-SJORKVTESA-N 2 3 302.466 1.363 20 0 DDADHP C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332174 892543884 /nfs/dbraw/zinc/54/38/84/892543884.db2.gz FDRRVCUMNFWOMU-NVXWUHKLSA-N 2 3 302.466 1.177 20 0 DDADHP C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332174 892543898 /nfs/dbraw/zinc/54/38/98/892543898.db2.gz FDRRVCUMNFWOMU-NVXWUHKLSA-N 2 3 302.466 1.177 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN([C@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246378701 892586096 /nfs/dbraw/zinc/58/60/96/892586096.db2.gz YIVCJWXDORRHAX-ULQDDVLXSA-N 2 3 308.514 1.569 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246972613 893038209 /nfs/dbraw/zinc/03/82/09/893038209.db2.gz DAXJOFLWFCBUNR-ULQDDVLXSA-N 2 3 308.514 1.651 20 0 DDADHP CN(C)CCN(CC[NH+](C)C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000517021530 421589248 /nfs/dbraw/zinc/58/92/48/421589248.db2.gz IBVPWEHSUWTKTJ-MRXNPFEDSA-N 2 3 312.502 1.203 20 0 DDADHP CN(C)CCN(CC[NH+](C)C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000517021530 421589249 /nfs/dbraw/zinc/58/92/49/421589249.db2.gz IBVPWEHSUWTKTJ-MRXNPFEDSA-N 2 3 312.502 1.203 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000663505328 423900760 /nfs/dbraw/zinc/90/07/60/423900760.db2.gz HRKSVBOYNCHTBL-GOEBONIOSA-N 2 3 310.486 1.097 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000583028607 337230813 /nfs/dbraw/zinc/23/08/13/337230813.db2.gz SIVWRJFEQBCAKL-FGTMMUONSA-N 2 3 308.514 1.476 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000583028607 337230814 /nfs/dbraw/zinc/23/08/14/337230814.db2.gz SIVWRJFEQBCAKL-FGTMMUONSA-N 2 3 308.514 1.476 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000843364562 702867341 /nfs/dbraw/zinc/86/73/41/702867341.db2.gz HPMDZDWBDVAHPP-UHFFFAOYSA-N 2 3 308.514 1.478 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000843364562 702867344 /nfs/dbraw/zinc/86/73/44/702867344.db2.gz HPMDZDWBDVAHPP-UHFFFAOYSA-N 2 3 308.514 1.478 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CNCc2ccc(C[NH3+])cc2)cnn1C ZINC000903931852 711339339 /nfs/dbraw/zinc/33/93/39/711339339.db2.gz JTLIXYBKRCITHH-MRXNPFEDSA-N 2 3 301.438 1.094 20 0 DDADHP N[C@@H](CCC[NH3+])Nc1ccc([C@]23CC[NH2+][C@@H]2COCC3)cc1 ZINC001170900041 771899064 /nfs/dbraw/zinc/89/90/64/771899064.db2.gz OKFUVZGQTKONPK-BRWVUGGUSA-N 2 3 304.438 1.142 20 0 DDADHP [NH3+]C[C@@H]1CCCCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001206624640 872483418 /nfs/dbraw/zinc/48/34/18/872483418.db2.gz XZXXZCRTAZPHCU-INIZCTEOSA-N 2 3 302.466 1.657 20 0 DDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235778553 888942497 /nfs/dbraw/zinc/94/24/97/888942497.db2.gz OUCVZZYRLTUIGG-ZNXRZULTSA-N 2 3 300.450 1.550 20 0 DDADHP [NH3+]C1CN([C@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)C1 ZINC001236072254 889094199 /nfs/dbraw/zinc/09/41/99/889094199.db2.gz FQLFHUUGVGCWCH-AWEZNQCLSA-N 2 3 306.479 1.001 20 0 DDADHP O[C@]1(C[NH2+]CC2(c3ccc(F)cc3)CC[NH2+]CC2)CCCNC1 ZINC001245989111 892307501 /nfs/dbraw/zinc/30/75/01/892307501.db2.gz LMJUWZUEPDJNLD-GOSISDBHSA-N 2 3 321.440 1.151 20 0 DDADHP COC(=O)C1(CN[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC[NH2+]CC1 ZINC001246091842 892411939 /nfs/dbraw/zinc/41/19/39/892411939.db2.gz APKNNZGOSPVSHF-ZIAGYGMSSA-N 2 3 311.470 1.286 20 0 DDADHP C[NH2+]C1CCC([NH2+]C2(Cc3ccccn3)CCNCC2)CC1 ZINC001246373262 892580695 /nfs/dbraw/zinc/58/06/95/892580695.db2.gz XELOHTOTCVDWPB-UHFFFAOYSA-N 2 3 302.466 1.867 20 0 DDADHP [NH3+]C1CCN(CC[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246407184 892607374 /nfs/dbraw/zinc/60/73/74/892607374.db2.gz XCBBNTAGNOFMTP-RBUKOAKNSA-N 2 3 316.493 1.362 20 0 DDADHP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644522480 423686338 /nfs/dbraw/zinc/68/63/38/423686338.db2.gz DMHWSXHQPSBOHO-NUJGCVRESA-N 2 3 311.514 1.789 20 0 DDADHP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644522480 423686342 /nfs/dbraw/zinc/68/63/42/423686342.db2.gz DMHWSXHQPSBOHO-NUJGCVRESA-N 2 3 311.514 1.789 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000665289192 424775136 /nfs/dbraw/zinc/77/51/36/424775136.db2.gz INRRAVNJNLDFOX-HOCLYGCPSA-N 2 3 310.486 1.097 20 0 DDADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292381 707800831 /nfs/dbraw/zinc/80/08/31/707800831.db2.gz ASRYOVJHOYNAIM-CJNGLKHVSA-N 2 3 318.465 1.658 20 0 DDADHP CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903778522 711276911 /nfs/dbraw/zinc/27/69/11/711276911.db2.gz NVJQTUVGSGXQMT-MAUKXSAKSA-N 2 3 309.498 1.842 20 0 DDADHP CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903778522 711276913 /nfs/dbraw/zinc/27/69/13/711276913.db2.gz NVJQTUVGSGXQMT-MAUKXSAKSA-N 2 3 309.498 1.842 20 0 DDADHP C[C@H]1C[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)CC[N@@H+]1C ZINC000925810057 714941078 /nfs/dbraw/zinc/94/10/78/714941078.db2.gz UZTXMDSQCONZRN-LPHOPBHVSA-N 2 3 316.493 1.664 20 0 DDADHP C[C@H]1C[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)CC[N@H+]1C ZINC000925810057 714941079 /nfs/dbraw/zinc/94/10/79/714941079.db2.gz UZTXMDSQCONZRN-LPHOPBHVSA-N 2 3 316.493 1.664 20 0 DDADHP CN1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000925847018 714949968 /nfs/dbraw/zinc/94/99/68/714949968.db2.gz QJXOZYUTSMMTMR-OKZBNKHCSA-N 2 3 308.514 1.524 20 0 DDADHP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N1CCCC1 ZINC001180578505 779816720 /nfs/dbraw/zinc/81/67/20/779816720.db2.gz IMYFOHMOJKCGPQ-MRXNPFEDSA-N 2 3 312.502 1.203 20 0 DDADHP C[NH+]1CCC(c2ccc(NC(=O)[C@@H](N)CCC[NH3+])cc2)CC1 ZINC001218822764 877751796 /nfs/dbraw/zinc/75/17/96/877751796.db2.gz FQHNJWBLWDAUNI-INIZCTEOSA-N 2 3 304.438 1.501 20 0 DDADHP CC(C)P(CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(C)C ZINC001221254192 879619095 /nfs/dbraw/zinc/61/90/95/879619095.db2.gz IUVPHUARXBFFJS-CQSZACIVSA-N 2 3 301.415 1.728 20 0 DDADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)[C@H](C)C1 ZINC001221407724 879763722 /nfs/dbraw/zinc/76/37/22/879763722.db2.gz MCFUETDUOGGMTH-OWCLPIDISA-N 2 3 312.502 1.281 20 0 DDADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)[C@H](C)C1 ZINC001221407724 879763730 /nfs/dbraw/zinc/76/37/30/879763730.db2.gz MCFUETDUOGGMTH-OWCLPIDISA-N 2 3 312.502 1.281 20 0 DDADHP [NH3+]C1([C@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]2CF)CC1 ZINC001235396016 888614020 /nfs/dbraw/zinc/61/40/20/888614020.db2.gz HTCUHMWKEGINAT-JSGCOSHPSA-N 2 3 309.454 1.903 20 0 DDADHP [NH3+]C1([C@@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@H]2CF)CC1 ZINC001235396705 888614382 /nfs/dbraw/zinc/61/43/82/888614382.db2.gz LCCFAHBMXPGMHL-IAGOWNOFSA-N 2 3 303.425 1.841 20 0 DDADHP c1ccc([C@@H]2C[C@@H](N[C@@H]3COC4(C3)CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246186670 892470279 /nfs/dbraw/zinc/47/02/79/892470279.db2.gz YUDYRBBTNZLVRR-BZSNNMDCSA-N 2 3 315.461 1.980 20 0 DDADHP c1ccc(C2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)nc1 ZINC001246425381 892619718 /nfs/dbraw/zinc/61/97/18/892619718.db2.gz AVQRJZRBKQQQCT-MRXNPFEDSA-N 2 3 314.477 1.967 20 0 DDADHP c1ccc(C2(CN[C@@H]3CC[NH2+]C4(CCC4)C3)CC[NH2+]CC2)nc1 ZINC001246425381 892619721 /nfs/dbraw/zinc/61/97/21/892619721.db2.gz AVQRJZRBKQQQCT-MRXNPFEDSA-N 2 3 314.477 1.967 20 0 DDADHP C[NH+]1CCC(CC[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256676726 897529064 /nfs/dbraw/zinc/52/90/64/897529064.db2.gz HUAZNYNTQBPZDC-UHFFFAOYSA-N 2 3 309.498 1.951 20 0 DDADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000665239585 424763511 /nfs/dbraw/zinc/76/35/11/424763511.db2.gz VBCPZYCJTICAGW-MAUKXSAKSA-N 2 3 305.466 1.860 20 0 DDADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422912795 289463598 /nfs/dbraw/zinc/46/35/98/289463598.db2.gz OBAJJOZDGJRVIW-CQSZACIVSA-N 2 3 306.454 1.195 20 0 DDADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292382 707800527 /nfs/dbraw/zinc/80/05/27/707800527.db2.gz ASRYOVJHOYNAIM-CZUORRHYSA-N 2 3 318.465 1.658 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CN2CCC(C[NH+](C)C)CC2)cnn1C ZINC000903906829 711325639 /nfs/dbraw/zinc/32/56/39/711325639.db2.gz ZJEISOVPSLQJLT-MRXNPFEDSA-N 2 3 307.486 1.120 20 0 DDADHP CCN1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925493717 714872926 /nfs/dbraw/zinc/87/29/26/714872926.db2.gz YVWVJAUCCOBFOO-BRWVUGGUSA-N 2 3 310.530 1.756 20 0 DDADHP C[C@@H]1NCCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000925545499 714884878 /nfs/dbraw/zinc/88/48/78/714884878.db2.gz GLXBVINQAGGSBX-WMZOPIPTSA-N 2 3 317.481 1.324 20 0 DDADHP C([NH2+][C@H]1CCNC12CCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000925712717 714919829 /nfs/dbraw/zinc/91/98/29/714919829.db2.gz IPRREXZVQGOKMI-KRWDZBQOSA-N 2 3 307.482 1.752 20 0 DDADHP CCN1CCCC[C@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161445365 736870860 /nfs/dbraw/zinc/87/08/60/736870860.db2.gz OUOKYERALDKATE-HOTGVXAUSA-N 2 3 310.486 1.003 20 0 DDADHP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219951918 878615630 /nfs/dbraw/zinc/61/56/30/878615630.db2.gz HKYPNLFBZJJVQR-MRXNPFEDSA-N 2 3 322.497 1.289 20 0 DDADHP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219951918 878615636 /nfs/dbraw/zinc/61/56/36/878615636.db2.gz HKYPNLFBZJJVQR-MRXNPFEDSA-N 2 3 322.497 1.289 20 0 DDADHP CCOC(=O)[C@@H]1CC2(CN1CCCCCC[NH3+])CC[NH2+]CC2 ZINC001222221112 880337567 /nfs/dbraw/zinc/33/75/67/880337567.db2.gz KGRORQFLLYRIGS-HNNXBMFYSA-N 2 3 311.470 1.513 20 0 DDADHP O[C@]1(C[NH2+]CC2(c3cccc(F)c3)CC[NH2+]CC2)CCCNC1 ZINC001245994026 892313446 /nfs/dbraw/zinc/31/34/46/892313446.db2.gz AYEGRUAQJKTMIN-GOSISDBHSA-N 2 3 321.440 1.151 20 0 DDADHP O[C@]1(CNCC2(c3cccc(F)c3)CC[NH2+]CC2)CCC[NH2+]C1 ZINC001245994026 892313463 /nfs/dbraw/zinc/31/34/63/892313463.db2.gz AYEGRUAQJKTMIN-GOSISDBHSA-N 2 3 321.440 1.151 20 0 DDADHP O[C@@]1(C[NH2+][C@H](c2cccc(F)c2)C2CC[NH2+]CC2)CCCNC1 ZINC001245998131 892316137 /nfs/dbraw/zinc/31/61/37/892316137.db2.gz GKRNTRTXGMISCQ-ROUUACIJSA-N 2 3 321.440 1.571 20 0 DDADHP COC(=O)C1(CN[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC[NH2+]CC1 ZINC001246091839 892412145 /nfs/dbraw/zinc/41/21/45/892412145.db2.gz APKNNZGOSPVSHF-UONOGXRCSA-N 2 3 311.470 1.286 20 0 DDADHP CC[C@@H]1CC(NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H](CC)[NH2+]1 ZINC001246139530 892435631 /nfs/dbraw/zinc/43/56/31/892435631.db2.gz DGWAHCSCBGPPDQ-OAGGEKHMSA-N 2 3 308.514 1.759 20 0 DDADHP CC[C@@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246430213 892619106 /nfs/dbraw/zinc/61/91/06/892619106.db2.gz XIQMBNLUAOLMHA-HZPDHXFCSA-N 2 3 302.466 1.823 20 0 DDADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1CCN(Cc2ccccc2)C1 ZINC001246458042 892638378 /nfs/dbraw/zinc/63/83/78/892638378.db2.gz RBZLYCSVSOWHDD-GOSISDBHSA-N 2 3 304.482 1.569 20 0 DDADHP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1)C2 ZINC001246520789 892674154 /nfs/dbraw/zinc/67/41/54/892674154.db2.gz UDAAJLFTCPQIBZ-YVSFHVDLSA-N 2 3 322.497 1.321 20 0 DDADHP CC(C)[C@H]1C[C@H](N2CCC(OC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246661866 892774793 /nfs/dbraw/zinc/77/47/93/892774793.db2.gz MJXUUHRQQQILTI-CRAIPNDOSA-N 2 3 309.498 1.996 20 0 DDADHP c1ccc(C[N@H+](C2CCNCC2)[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246912453 892987063 /nfs/dbraw/zinc/98/70/63/892987063.db2.gz DYBLVAVIAPYOOU-GOSISDBHSA-N 2 3 314.477 1.335 20 0 DDADHP c1ccc(C[N@@H+](C2CCNCC2)[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246912453 892987072 /nfs/dbraw/zinc/98/70/72/892987072.db2.gz DYBLVAVIAPYOOU-GOSISDBHSA-N 2 3 314.477 1.335 20 0 DDADHP [NH3+]CCOCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000357089531 409859945 /nfs/dbraw/zinc/85/99/45/409859945.db2.gz UIHHPGSUNDACID-HNNXBMFYSA-N 2 3 309.479 1.668 20 0 DDADHP CN1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000423516292 420069386 /nfs/dbraw/zinc/06/93/86/420069386.db2.gz WKQHSAXCDQHWQT-GXZRBYELSA-N 2 3 320.525 1.665 20 0 DDADHP CN1CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@H]2CCC[C@@H]21 ZINC000423516292 420069390 /nfs/dbraw/zinc/06/93/90/420069390.db2.gz WKQHSAXCDQHWQT-GXZRBYELSA-N 2 3 320.525 1.665 20 0 DDADHP C[C@H]1CCN(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000573632963 421992690 /nfs/dbraw/zinc/99/26/90/421992690.db2.gz SLRCTUMGFKYIKS-INIZCTEOSA-N 2 3 312.502 1.060 20 0 DDADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])c2)nn1 ZINC000873243023 707781335 /nfs/dbraw/zinc/78/13/35/707781335.db2.gz IHRGJODPLVYLRF-WMLDXEAASA-N 2 3 314.437 1.333 20 0 DDADHP Cc1c(C[C@@H](C[NH3+])CN2CCC([C@H]3CCC[NH2+]3)CC2)cnn1C ZINC000903873661 711311725 /nfs/dbraw/zinc/31/17/25/711311725.db2.gz JZAHFWSVMBXQRB-MAUKXSAKSA-N 2 3 319.497 1.310 20 0 DDADHP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925844165 714949142 /nfs/dbraw/zinc/94/91/42/714949142.db2.gz WNAWYZGUHLFUEQ-HKUYNNGSSA-N 2 3 318.509 1.610 20 0 DDADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001161084830 866363660 /nfs/dbraw/zinc/36/36/60/866363660.db2.gz JIBFLDMRMGYAEM-OWCLPIDISA-N 2 3 310.486 1.035 20 0 DDADHP [NH3+]CCCC[NH2+]CCCNc1cccc(N2CCOCC2)n1 ZINC001162292494 867416509 /nfs/dbraw/zinc/41/65/09/867416509.db2.gz PFVZVFASGMBRLQ-UHFFFAOYSA-N 2 3 307.442 1.049 20 0 DDADHP OC1(C[NH2+]C2(Cc3ccccc3)CCNCC2)CC[NH2+]CC1 ZINC001246004757 892321648 /nfs/dbraw/zinc/32/16/48/892321648.db2.gz HHZIVDHAJAYSJJ-UHFFFAOYSA-N 2 3 303.450 1.055 20 0 DDADHP OC1(CNC2(Cc3ccccc3)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246004757 892321666 /nfs/dbraw/zinc/32/16/66/892321666.db2.gz HHZIVDHAJAYSJJ-UHFFFAOYSA-N 2 3 303.450 1.055 20 0 DDADHP O[C@@]1(CNCC2(c3cccc(Cl)c3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246005456 892324225 /nfs/dbraw/zinc/32/42/25/892324225.db2.gz HIDKPOKFDGCVRK-KRWDZBQOSA-N 2 3 323.868 1.275 20 0 DDADHP Cc1ccc(CN(C[C@@]2(O)CC[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246067309 892397064 /nfs/dbraw/zinc/39/70/64/892397064.db2.gz PBZHIXXMNQQPAT-GUDVDZBRSA-N 2 3 317.477 1.791 20 0 DDADHP CCOC(=O)C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246230058 892489681 /nfs/dbraw/zinc/48/96/81/892489681.db2.gz QVTQWEAMMDUMNE-JJXSEGSLSA-N 2 3 309.454 1.180 20 0 DDADHP CCCC[C@@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246610481 892734396 /nfs/dbraw/zinc/73/43/96/892734396.db2.gz AIYMPHKMNOBEEO-SJORKVTESA-N 2 3 309.498 1.999 20 0 DDADHP CC(C)(C)[C@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246616297 892739589 /nfs/dbraw/zinc/73/95/89/892739589.db2.gz VHVZBERFOJYTDV-HZPDHXFCSA-N 2 3 309.498 1.855 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH+]3CCC4(CC[C@H]4[NH3+])CC3)C[C@H](C1)N2 ZINC001247000808 893072012 /nfs/dbraw/zinc/07/20/12/893072012.db2.gz HZVAMFFBWNOKNL-KVDYFSNESA-N 2 3 321.465 1.262 20 0 DDADHP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000353431414 410980794 /nfs/dbraw/zinc/98/07/94/410980794.db2.gz YWXADRXYZGYNRX-IAGOWNOFSA-N 2 3 322.497 1.049 20 0 DDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422828438 227203602 /nfs/dbraw/zinc/20/36/02/227203602.db2.gz AZLGRTFTZVMETJ-GJZGRUSLSA-N 2 3 305.466 1.859 20 0 DDADHP COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC[NH2+]CC1 ZINC000423397425 420038212 /nfs/dbraw/zinc/03/82/12/420038212.db2.gz CGSJVWZNSHPYMO-BRWVUGGUSA-N 2 3 309.498 1.903 20 0 DDADHP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000422743483 289171697 /nfs/dbraw/zinc/17/16/97/289171697.db2.gz RLRNLEXOPCYFOB-AEFFLSMTSA-N 2 3 305.466 1.887 20 0 DDADHP C[NH+]1CCC(N2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000677241103 486423646 /nfs/dbraw/zinc/42/36/46/486423646.db2.gz MACHETBWRPBCNV-SOLBZPMBSA-N 2 3 306.498 1.371 20 0 DDADHP C[NH+]1CCC(N2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000677241103 486423649 /nfs/dbraw/zinc/42/36/49/486423649.db2.gz MACHETBWRPBCNV-SOLBZPMBSA-N 2 3 306.498 1.371 20 0 DDADHP NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000873231898 707779013 /nfs/dbraw/zinc/77/90/13/707779013.db2.gz SLDFLBZHNCLUMQ-HZPDHXFCSA-N 2 3 322.497 1.086 20 0 DDADHP C[C@@]1(CN2CCC(OCC[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000904325247 711841689 /nfs/dbraw/zinc/84/16/89/711841689.db2.gz UICOWTGYTHGNDR-GOSISDBHSA-N 2 3 309.498 1.953 20 0 DDADHP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925608160 714898595 /nfs/dbraw/zinc/89/85/95/714898595.db2.gz ZVGQRSYRGGKDNS-RBUKOAKNSA-N 2 3 322.541 1.770 20 0 DDADHP CC(C)(C)N1CCC([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925856511 714952295 /nfs/dbraw/zinc/95/22/95/714952295.db2.gz RSCBXDJXXJEBRR-HNNXBMFYSA-N 2 3 323.481 1.524 20 0 DDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3N3CC[NH2+]CC3)C[C@@H]12 ZINC001236818919 889372411 /nfs/dbraw/zinc/37/24/11/889372411.db2.gz KYRSUZINARZIJT-USXIJHARSA-N 2 3 300.450 1.265 20 0 DDADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC001245972422 892293117 /nfs/dbraw/zinc/29/31/17/892293117.db2.gz IMLNUOGIQZHGNB-FXUDXRNXSA-N 2 3 313.392 1.055 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001246055966 892386494 /nfs/dbraw/zinc/38/64/94/892386494.db2.gz NXCAMPFZUKWXIJ-IPMKNSEASA-N 2 3 317.477 1.381 20 0 DDADHP Cc1ccc(CN(C[C@]2(O)CC[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246067307 892397455 /nfs/dbraw/zinc/39/74/55/892397455.db2.gz PBZHIXXMNQQPAT-FHWLQOOXSA-N 2 3 317.477 1.791 20 0 DDADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246133121 892427192 /nfs/dbraw/zinc/42/71/92/892427192.db2.gz OEAQHODLIBEVPC-JKSUJKDBSA-N 2 3 307.482 1.942 20 0 DDADHP NC1=CC=C(C2CC[NH+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)NC1 ZINC001246495483 892659110 /nfs/dbraw/zinc/65/91/10/892659110.db2.gz POKQIBMUKMTSRC-PKOBYXMFSA-N 2 3 316.493 1.950 20 0 DDADHP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CCC12C[NH2+]C2 ZINC001247004451 893073965 /nfs/dbraw/zinc/07/39/65/893073965.db2.gz CEJQQVOGAOUNED-QKPAOTATSA-N 2 3 321.465 1.134 20 0 DDADHP CCOC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CCC12C[NH2+]C2 ZINC001247004451 893073985 /nfs/dbraw/zinc/07/39/85/893073985.db2.gz CEJQQVOGAOUNED-QKPAOTATSA-N 2 3 321.465 1.134 20 0 DDADHP CCOC(=O)[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247004451 893074006 /nfs/dbraw/zinc/07/40/06/893074006.db2.gz CEJQQVOGAOUNED-QKPAOTATSA-N 2 3 321.465 1.134 20 0 DDADHP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422861335 286198187 /nfs/dbraw/zinc/19/81/87/286198187.db2.gz JDBXSJTULZQDAU-BBRMVZONSA-N 2 3 308.470 1.856 20 0 DDADHP C[NH+](C)CCOc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000423022724 227315546 /nfs/dbraw/zinc/31/55/46/227315546.db2.gz IIQQUAYDEMBNRH-CVEARBPZSA-N 2 3 306.454 1.629 20 0 DDADHP C[C@H]1C[C@H](NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414860697 419845577 /nfs/dbraw/zinc/84/55/77/419845577.db2.gz CZCUUQZSNBFGEL-PKOBYXMFSA-N 2 3 316.493 1.534 20 0 DDADHP C[C@H]1C[C@H](NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000414860697 419845584 /nfs/dbraw/zinc/84/55/84/419845584.db2.gz CZCUUQZSNBFGEL-PKOBYXMFSA-N 2 3 316.493 1.534 20 0 DDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000849033111 703613212 /nfs/dbraw/zinc/61/32/12/703613212.db2.gz CEQUTDDMHCJMQY-MRXNPFEDSA-N 2 3 309.502 1.851 20 0 DDADHP c1cc2c(cc1C[N@@H+]1CCNCCC13CCOCC3)C[NH2+]CC2 ZINC000903818243 711290522 /nfs/dbraw/zinc/29/05/22/711290522.db2.gz CWMNWGYHMYUCLU-UHFFFAOYSA-N 2 3 315.461 1.677 20 0 DDADHP c1cc2c(cc1C[N@H+]1CCNCCC13CCOCC3)C[NH2+]CC2 ZINC000903818243 711290523 /nfs/dbraw/zinc/29/05/23/711290523.db2.gz CWMNWGYHMYUCLU-UHFFFAOYSA-N 2 3 315.461 1.677 20 0 DDADHP C[C@H]1CC(NCCOCC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014857 740634829 /nfs/dbraw/zinc/63/48/29/740634829.db2.gz MPSPBRBQGISPSU-HOTGVXAUSA-N 2 3 305.466 1.993 20 0 DDADHP CC1(C)C[C@@H](NCCOCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171971910 776562910 /nfs/dbraw/zinc/56/29/10/776562910.db2.gz LEKBDWCBKLTRNX-KRWDZBQOSA-N 2 3 305.466 1.995 20 0 DDADHP CC1(C)C[C@@H](NCCOCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171971910 776562917 /nfs/dbraw/zinc/56/29/17/776562917.db2.gz LEKBDWCBKLTRNX-KRWDZBQOSA-N 2 3 305.466 1.995 20 0 DDADHP CCOC(=O)[C@@H]1CC2(CN1CC[C@@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC001222215991 880336072 /nfs/dbraw/zinc/33/60/72/880336072.db2.gz RMCZSLAQUOUIEX-HOTGVXAUSA-N 2 3 323.481 1.383 20 0 DDADHP c1ccc([C@H]2C[NH2+]C[C@]23CCN(CC[C@@H]2C[NH2+]CCO2)C3)cc1 ZINC001235379762 888601049 /nfs/dbraw/zinc/60/10/49/888601049.db2.gz QORQOTLTECURNT-QRVBRYPASA-N 2 3 315.461 1.444 20 0 DDADHP CCCN(Cc1ccccc1N1CC[NH2+]CC1)C[C@@H]1CC[NH2+]C1 ZINC001236836576 889378449 /nfs/dbraw/zinc/37/84/49/889378449.db2.gz XTKYJYMVRLQRPM-QGZVFWFLSA-N 2 3 316.493 1.918 20 0 DDADHP CC[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246139533 892436100 /nfs/dbraw/zinc/43/61/00/892436100.db2.gz DGWAHCSCBGPPDQ-YVSFHVDLSA-N 2 3 308.514 1.759 20 0 DDADHP c1cncc(C2(CN[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246424423 892616831 /nfs/dbraw/zinc/61/68/31/892616831.db2.gz UWDZJVIQVOXYCT-FVQHAEBGSA-N 2 3 300.450 1.575 20 0 DDADHP CC[C@@H]1C[C@@H](N2CCC(N3CC[NH2+]CC3)CC2)C[C@H](CC)[NH2+]1 ZINC001246886866 892970778 /nfs/dbraw/zinc/97/07/78/892970778.db2.gz LYIDUZNLEXCKMF-ALXJQNPVSA-N 2 3 308.514 1.665 20 0 DDADHP CC(C)CN1CCC([NH2+]CCCOCCOCCC[NH3+])CC1 ZINC001258002814 898003463 /nfs/dbraw/zinc/00/34/63/898003463.db2.gz GDJZZBUKLDORJI-UHFFFAOYSA-N 2 3 315.502 1.469 20 0 DDADHP [NH3+]CC1CCC([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000567647698 304232133 /nfs/dbraw/zinc/23/21/33/304232133.db2.gz LFYRSNFFOVCXMG-XUJQIHCRSA-N 2 3 317.477 1.860 20 0 DDADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000422904427 227253678 /nfs/dbraw/zinc/25/36/78/227253678.db2.gz XNVCFMHRTPDPFK-JCGIZDLHSA-N 2 3 321.465 1.469 20 0 DDADHP C[NH+](C)CCOc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000423022725 227316630 /nfs/dbraw/zinc/31/66/30/227316630.db2.gz IIQQUAYDEMBNRH-HOTGVXAUSA-N 2 3 306.454 1.629 20 0 DDADHP [NH3+]C[C@H]1CCC[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423526503 420073439 /nfs/dbraw/zinc/07/34/39/420073439.db2.gz LLIPXQUVXXVWIA-MSOLQXFVSA-N 2 3 316.493 1.697 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665239236 424763275 /nfs/dbraw/zinc/76/32/75/424763275.db2.gz OKFYJZQHNZWUHF-MNEFBYGVSA-N 2 3 317.477 1.731 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000665239236 424763279 /nfs/dbraw/zinc/76/32/79/424763279.db2.gz OKFYJZQHNZWUHF-MNEFBYGVSA-N 2 3 317.477 1.731 20 0 DDADHP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCC([NH+](C)C)CC1 ZINC000422814793 278226866 /nfs/dbraw/zinc/22/68/66/278226866.db2.gz AFJWNNCEECGALE-QFBILLFUSA-N 2 3 318.509 1.561 20 0 DDADHP CC(C)[N@@H+]1C2CCC1CN(C(=O)C1C3CCC(C3)C1[NH3+])CC2 ZINC000423771710 484114213 /nfs/dbraw/zinc/11/42/13/484114213.db2.gz GOHCOZDMHMPAKR-UYLCUJDWSA-N 2 3 305.466 1.834 20 0 DDADHP CC(C)[N@H+]1C2CCC1CN(C(=O)C1C3CCC(C3)C1[NH3+])CC2 ZINC000423771710 484114220 /nfs/dbraw/zinc/11/42/20/484114220.db2.gz GOHCOZDMHMPAKR-UYLCUJDWSA-N 2 3 305.466 1.834 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)CC[NH2+]CC1 ZINC000422698580 528611888 /nfs/dbraw/zinc/61/18/88/528611888.db2.gz ZZDSJIVEJBDOKJ-LSDHHAIUSA-N 2 3 311.470 1.239 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424287053 529041443 /nfs/dbraw/zinc/04/14/43/529041443.db2.gz IHODYCDROXKHFV-SFHVURJKSA-N 2 3 322.541 1.867 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424287053 529041449 /nfs/dbraw/zinc/04/14/49/529041449.db2.gz IHODYCDROXKHFV-SFHVURJKSA-N 2 3 322.541 1.867 20 0 DDADHP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000902407214 710744072 /nfs/dbraw/zinc/74/40/72/710744072.db2.gz WYNKUQXMSYDZAZ-ZIAGYGMSSA-N 2 3 309.454 1.040 20 0 DDADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816986 714942740 /nfs/dbraw/zinc/94/27/40/714942740.db2.gz KOGZJCIJHNXKCE-QFBILLFUSA-N 2 3 316.493 1.570 20 0 DDADHP CN(C)Cc1cc(F)cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205240758 751234427 /nfs/dbraw/zinc/23/44/27/751234427.db2.gz NWIDMKSTBGEMHW-QGZVFWFLSA-N 2 3 309.429 1.563 20 0 DDADHP CN(C)Cc1cc(F)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205240758 751234432 /nfs/dbraw/zinc/23/44/32/751234432.db2.gz NWIDMKSTBGEMHW-QGZVFWFLSA-N 2 3 309.429 1.563 20 0 DDADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001161084824 866362153 /nfs/dbraw/zinc/36/21/53/866362153.db2.gz JIBFLDMRMGYAEM-HRCADAONSA-N 2 3 310.486 1.035 20 0 DDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3N3CC[NH2+]CC3)C[C@H]12 ZINC001236818918 889372349 /nfs/dbraw/zinc/37/23/49/889372349.db2.gz KYRSUZINARZIJT-HYVNUMGLSA-N 2 3 300.450 1.265 20 0 DDADHP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246184522 892469780 /nfs/dbraw/zinc/46/97/80/892469780.db2.gz SNARJWNWRYLFOZ-HZPDHXFCSA-N 2 3 307.482 1.800 20 0 DDADHP C([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246184522 892469788 /nfs/dbraw/zinc/46/97/88/892469788.db2.gz SNARJWNWRYLFOZ-HZPDHXFCSA-N 2 3 307.482 1.800 20 0 DDADHP C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246184525 892469853 /nfs/dbraw/zinc/46/98/53/892469853.db2.gz SNARJWNWRYLFOZ-JKSUJKDBSA-N 2 3 307.482 1.800 20 0 DDADHP C([NH2+][C@H]1CCNC2(CCC2)C1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246184525 892469858 /nfs/dbraw/zinc/46/98/58/892469858.db2.gz SNARJWNWRYLFOZ-JKSUJKDBSA-N 2 3 307.482 1.800 20 0 DDADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CCN1 ZINC001246296167 892520564 /nfs/dbraw/zinc/52/05/64/892520564.db2.gz YLRIAPONWMLIDZ-MAUKXSAKSA-N 2 3 309.498 1.855 20 0 DDADHP C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332176 892544382 /nfs/dbraw/zinc/54/43/82/892544382.db2.gz FDRRVCUMNFWOMU-WBVHZDCISA-N 2 3 302.466 1.177 20 0 DDADHP C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332176 892544390 /nfs/dbraw/zinc/54/43/90/892544390.db2.gz FDRRVCUMNFWOMU-WBVHZDCISA-N 2 3 302.466 1.177 20 0 DDADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+][C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246340666 892550242 /nfs/dbraw/zinc/55/02/42/892550242.db2.gz MHZXMZSXXLTQQU-KKUMJFAQSA-N 2 3 304.463 1.169 20 0 DDADHP c1cncc([C@@H]2[NH2+]CC[C@H]2CN[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246340666 892550253 /nfs/dbraw/zinc/55/02/53/892550253.db2.gz MHZXMZSXXLTQQU-KKUMJFAQSA-N 2 3 304.463 1.169 20 0 DDADHP C[C@H]1C[C@@H]([NH2+]CCCNCCC[NH3+])CCN1Cc1ccccc1 ZINC001246455955 892638400 /nfs/dbraw/zinc/63/84/00/892638400.db2.gz YTWLPGOMBLCOLJ-HKUYNNGSSA-N 2 3 318.509 1.958 20 0 DDADHP CN1CC[NH+](CC2(C)CCN(C[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000262117340 407744496 /nfs/dbraw/zinc/74/44/96/407744496.db2.gz WYFHOFOJSBFDHJ-GOSISDBHSA-N 2 3 308.514 1.336 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367760552 418631006 /nfs/dbraw/zinc/63/10/06/418631006.db2.gz ZXDPPYVJWYPXSH-GUDVDZBRSA-N 2 3 322.541 1.867 20 0 DDADHP CC[NH+]1CCC(NC(=O)CN2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639765067 423719450 /nfs/dbraw/zinc/71/94/50/423719450.db2.gz YZXYBUGGMNDKLK-UHFFFAOYSA-N 2 3 322.497 1.005 20 0 DDADHP C(CN1CCC(C[NH+]2CCCCCC2)CC1)N1CC[NH2+]CC1 ZINC000649411720 423877731 /nfs/dbraw/zinc/87/77/31/423877731.db2.gz YULYNQPCJGENSR-UHFFFAOYSA-N 2 3 308.514 1.480 20 0 DDADHP CC[N@H+](CCC1CC[NH+](C[C@@](C)(O)CNC)CC1)CC1CC1 ZINC000565095893 308020065 /nfs/dbraw/zinc/02/00/65/308020065.db2.gz YUBNEVLUDLBTHC-SFHVURJKSA-N 2 3 311.514 1.791 20 0 DDADHP CC[N@@H+](CCC1CC[NH+](C[C@@](C)(O)CNC)CC1)CC1CC1 ZINC000565095893 308020066 /nfs/dbraw/zinc/02/00/66/308020066.db2.gz YUBNEVLUDLBTHC-SFHVURJKSA-N 2 3 311.514 1.791 20 0 DDADHP C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000675871734 486056945 /nfs/dbraw/zinc/05/69/45/486056945.db2.gz AFZWBJYVJSVUPM-RDJZCZTQSA-N 2 3 308.514 1.475 20 0 DDADHP COCC1(C[NH2+]Cc2cc3c(s2)CCNC3)CC[NH2+]CC1 ZINC000873211568 707770706 /nfs/dbraw/zinc/77/07/06/707770706.db2.gz COUAIDDEOAHUCQ-UHFFFAOYSA-N 2 3 309.479 1.500 20 0 DDADHP [NH3+]C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C(F)(F)F ZINC000923428603 714352877 /nfs/dbraw/zinc/35/28/77/714352877.db2.gz YEDSSNLCUSBZSN-ZGHZMMAESA-N 2 3 305.388 1.976 20 0 DDADHP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925844171 714948990 /nfs/dbraw/zinc/94/89/90/714948990.db2.gz WNAWYZGUHLFUEQ-PKOBYXMFSA-N 2 3 318.509 1.610 20 0 DDADHP [NH3+]C1CCN(c2cccc(NC[C@@]3(F)CCCC[NH2+]C3)n2)CC1 ZINC001155119374 861751028 /nfs/dbraw/zinc/75/10/28/861751028.db2.gz PLNYNMXYGGNBRI-QGZVFWFLSA-N 2 3 321.444 1.903 20 0 DDADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001161453931 866678941 /nfs/dbraw/zinc/67/89/41/866678941.db2.gz NYQLWRKUVMIARS-KRWDZBQOSA-N 2 3 324.513 1.569 20 0 DDADHP C[NH+](C)CC(C)(C)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207284227 873167116 /nfs/dbraw/zinc/16/71/16/873167116.db2.gz MENORTMMNSRNTH-UHFFFAOYSA-N 2 3 310.530 1.534 20 0 DDADHP N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941355 878608243 /nfs/dbraw/zinc/60/82/43/878608243.db2.gz VXBGSKGESUWSNF-IRXDYDNUSA-N 2 3 318.465 1.081 20 0 DDADHP N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941355 878608252 /nfs/dbraw/zinc/60/82/52/878608252.db2.gz VXBGSKGESUWSNF-IRXDYDNUSA-N 2 3 318.465 1.081 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220167232 878767553 /nfs/dbraw/zinc/76/75/53/878767553.db2.gz LXAMDGXYAYNXMW-RYRKJORJSA-N 2 3 324.513 1.521 20 0 DDADHP CN1CCC([NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)CC1 ZINC001277627446 886153243 /nfs/dbraw/zinc/15/32/43/886153243.db2.gz WASDKXUHLSMIGQ-UHFFFAOYSA-N 2 3 317.481 1.375 20 0 DDADHP c1ccc([C@H]2C[C@H]([NH2+]CCCC[NH+]3CCNCC3)CCN2)cc1 ZINC001246089306 892411745 /nfs/dbraw/zinc/41/17/45/892411745.db2.gz OWOMOKJQZCLJIX-RTBURBONSA-N 2 3 316.493 1.755 20 0 DDADHP CC[C@@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246139531 892435482 /nfs/dbraw/zinc/43/54/82/892435482.db2.gz DGWAHCSCBGPPDQ-TWMKSMIVSA-N 2 3 308.514 1.759 20 0 DDADHP c1cc2n(c1)C[C@@H](CC[NH2+][C@H]1CCNC3(CCC3)C1)C[NH2+]C2 ZINC001246140330 892436590 /nfs/dbraw/zinc/43/65/90/892436590.db2.gz NVOGZPDDBPMKRE-HOTGVXAUSA-N 2 3 302.466 1.862 20 0 DDADHP C1O[C@]2(C[C@H]1N[C@@H]1CC[NH2+]C3(CCCCC3)C1)CCC[NH2+]C2 ZINC001246256415 892502595 /nfs/dbraw/zinc/50/25/95/892502595.db2.gz PGLBJVPWQDDSOE-NUJGCVRESA-N 2 3 307.482 1.942 20 0 DDADHP C(C1CCCC1)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246362059 892569338 /nfs/dbraw/zinc/56/93/38/892569338.db2.gz DGQLKWLMBFZJSR-KRWDZBQOSA-N 2 3 306.498 1.325 20 0 DDADHP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccnc3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246421586 892616550 /nfs/dbraw/zinc/61/65/50/892616550.db2.gz DVDMNDQQHQQCAK-SCAQPMJSSA-N 2 3 302.466 1.821 20 0 DDADHP CC(C)[C@H]1C[C@@H](N2CCC(OC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246661867 892774445 /nfs/dbraw/zinc/77/44/45/892774445.db2.gz MJXUUHRQQQILTI-MAUKXSAKSA-N 2 3 309.498 1.996 20 0 DDADHP [NH3+]CC1CN([C@H]2CCCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246871906 892960773 /nfs/dbraw/zinc/96/07/73/892960773.db2.gz ORWXGMFRTRBIIX-MSOLQXFVSA-N 2 3 320.525 1.796 20 0 DDADHP [NH3+][C@H]1CCN(C2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)C1 ZINC001246967207 893028698 /nfs/dbraw/zinc/02/86/98/893028698.db2.gz LXKGTLBCLGZDNM-WMZOPIPTSA-N 2 3 320.525 1.939 20 0 DDADHP CN1CCC([N@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246995966 893067067 /nfs/dbraw/zinc/06/70/67/893067067.db2.gz WOEAMJWYKOISPR-UHFFFAOYSA-N 2 3 320.525 1.667 20 0 DDADHP CN1CCC([N@@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246995966 893067092 /nfs/dbraw/zinc/06/70/92/893067092.db2.gz WOEAMJWYKOISPR-UHFFFAOYSA-N 2 3 320.525 1.667 20 0 DDADHP CC[NH+](CC)CC[C@H](C)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001255963618 897173929 /nfs/dbraw/zinc/17/39/29/897173929.db2.gz RWMNNRHCDUALKI-OKZBNKHCSA-N 2 3 310.530 1.817 20 0 DDADHP C[C@@H]1C[C@@H](NCCN(C)CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256528203 897463009 /nfs/dbraw/zinc/46/30/09/897463009.db2.gz CKKNHCVTDFCCCF-AEFFLSMTSA-N 2 3 304.482 1.520 20 0 DDADHP C[C@@H]1C[C@@H](NCCN(C)CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256528203 897463016 /nfs/dbraw/zinc/46/30/16/897463016.db2.gz CKKNHCVTDFCCCF-AEFFLSMTSA-N 2 3 304.482 1.520 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000635012881 422766699 /nfs/dbraw/zinc/76/66/99/422766699.db2.gz WMVRNNHZIHLMHM-SOUVJXGZSA-N 2 3 301.438 1.291 20 0 DDADHP [NH3+]CCOCCN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000357072039 409840739 /nfs/dbraw/zinc/84/07/39/409840739.db2.gz DAPZPHGDMZIDRC-ZWKOTPCHSA-N 2 3 305.466 1.634 20 0 DDADHP [NH3+][C@@H]1C[C@@H](NCCCC[N@@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000422977411 227292597 /nfs/dbraw/zinc/29/25/97/227292597.db2.gz KBDWKMYZIXMWOQ-BMGDILEWSA-N 2 3 303.450 1.958 20 0 DDADHP [NH3+][C@@H]1C[C@@H](NCCCC[N@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000422977411 227292603 /nfs/dbraw/zinc/29/26/03/227292603.db2.gz KBDWKMYZIXMWOQ-BMGDILEWSA-N 2 3 303.450 1.958 20 0 DDADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422861338 419971709 /nfs/dbraw/zinc/97/17/09/419971709.db2.gz JDBXSJTULZQDAU-XJKSGUPXSA-N 2 3 308.470 1.856 20 0 DDADHP C[NH2+]CCCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327135 424573374 /nfs/dbraw/zinc/57/33/74/424573374.db2.gz KDYRRJAKPJRBEX-UHFFFAOYSA-N 2 3 305.470 1.666 20 0 DDADHP C[C@@H]1CCNC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422851962 534100287 /nfs/dbraw/zinc/10/02/87/534100287.db2.gz XNZMMBGUBOKTII-SJLPKXTDSA-N 2 3 317.481 1.181 20 0 DDADHP CCN1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422871113 529152037 /nfs/dbraw/zinc/15/20/37/529152037.db2.gz ZULIIZDCWAPBPW-ZJPYXAASSA-N 2 3 308.514 1.523 20 0 DDADHP C[NH+]1CCC(CN2CCN(CCC[NH+]3CCCCC3)CC2)CC1 ZINC001209453003 732752902 /nfs/dbraw/zinc/75/29/02/732752902.db2.gz BYTJOERYQVNRNG-UHFFFAOYSA-N 2 3 322.541 1.822 20 0 DDADHP [NH3+]CCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167981922 740337676 /nfs/dbraw/zinc/33/76/76/740337676.db2.gz PKPDDQPXZUYJRQ-DFNIBXOVSA-N 2 3 320.525 1.748 20 0 DDADHP [NH3+]CCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167981922 740337680 /nfs/dbraw/zinc/33/76/80/740337680.db2.gz PKPDDQPXZUYJRQ-DFNIBXOVSA-N 2 3 320.525 1.748 20 0 DDADHP C[C@@H]1C[C@@H](NCCOCC[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168014848 740634688 /nfs/dbraw/zinc/63/46/88/740634688.db2.gz MPSPBRBQGISPSU-ALXJQNPVSA-N 2 3 305.466 1.993 20 0 DDADHP C[C@@H]1C[C@@H](NCCOCC[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014848 740634691 /nfs/dbraw/zinc/63/46/91/740634691.db2.gz MPSPBRBQGISPSU-ALXJQNPVSA-N 2 3 305.466 1.993 20 0 DDADHP CC(C)C1(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001161444261 866671571 /nfs/dbraw/zinc/67/15/71/866671571.db2.gz FUPGZIZTBUQUNO-MRXNPFEDSA-N 2 3 324.513 1.154 20 0 DDADHP CN[C@H](C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161447494 866674477 /nfs/dbraw/zinc/67/44/77/866674477.db2.gz XRBSXOPHVPMSDR-IRXDYDNUSA-N 2 3 318.465 1.089 20 0 DDADHP C[C@]1([NH3+])CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001205273080 871479409 /nfs/dbraw/zinc/47/94/09/871479409.db2.gz DOAPIYYQVWFXRZ-IBGZPJMESA-N 2 3 316.493 1.795 20 0 DDADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cnccc1N(C)C ZINC001218563080 877571887 /nfs/dbraw/zinc/57/18/87/877571887.db2.gz JXZVZTRZYFEEBF-ZDUSSCGKSA-N 2 3 307.442 1.582 20 0 DDADHP N[C@H](C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1)C1CC[NH2+]CC1 ZINC001218996074 877863740 /nfs/dbraw/zinc/86/37/40/877863740.db2.gz HJWBCAXJUZWARW-HOCLYGCPSA-N 2 3 302.422 1.029 20 0 DDADHP N[C@H](C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1)C1CC[NH2+]CC1 ZINC001218996075 877864474 /nfs/dbraw/zinc/86/44/74/877864474.db2.gz HJWBCAXJUZWARW-ZBFHGGJFSA-N 2 3 302.422 1.029 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161625 878764156 /nfs/dbraw/zinc/76/41/56/878764156.db2.gz DKTJTHSMXJIVGQ-YQQAZPJKSA-N 2 3 310.486 1.084 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918719 879380187 /nfs/dbraw/zinc/38/01/87/879380187.db2.gz DHGRVSLVLAKJKY-WBVHZDCISA-N 2 3 324.513 1.569 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918719 879380206 /nfs/dbraw/zinc/38/02/06/879380206.db2.gz DHGRVSLVLAKJKY-WBVHZDCISA-N 2 3 324.513 1.569 20 0 DDADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221031884 879459976 /nfs/dbraw/zinc/45/99/76/879459976.db2.gz VDBFQXYSWHAWMG-HOTGVXAUSA-N 2 3 322.428 1.049 20 0 DDADHP CCOC(=O)[C@]12C[N@H+](Cc3ccc(C[NH3+])cc3)C[C@H]1CNCC2 ZINC001236039736 889074125 /nfs/dbraw/zinc/07/41/25/889074125.db2.gz YUCRHWZJLWXHRE-SJLPKXTDSA-N 2 3 317.433 1.120 20 0 DDADHP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C[NH3+])cc3)C[C@H]1CNCC2 ZINC001236039736 889074136 /nfs/dbraw/zinc/07/41/36/889074136.db2.gz YUCRHWZJLWXHRE-SJLPKXTDSA-N 2 3 317.433 1.120 20 0 DDADHP [NH3+]C1CN([C@H]2CCCN(Cc3cc4c(s3)C[NH2+]CC4)C2)C1 ZINC001236079950 889097044 /nfs/dbraw/zinc/09/70/44/889097044.db2.gz URRTYAAVGFUNNQ-AWEZNQCLSA-N 2 3 306.479 1.001 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)C[C@]2(O)CCCNC2)CC1 ZINC001246069692 892399993 /nfs/dbraw/zinc/39/99/93/892399993.db2.gz LBTDXKRIQBEFTQ-BZSNNMDCSA-N 2 3 318.465 1.268 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C[C@]2(O)CCCNC2)CC1 ZINC001246069692 892400033 /nfs/dbraw/zinc/40/00/33/892400033.db2.gz LBTDXKRIQBEFTQ-BZSNNMDCSA-N 2 3 318.465 1.268 20 0 DDADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246133117 892427926 /nfs/dbraw/zinc/42/79/26/892427926.db2.gz OEAQHODLIBEVPC-HOTGVXAUSA-N 2 3 307.482 1.942 20 0 DDADHP CC(C)C[NH+]1CCC(NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246138045 892432465 /nfs/dbraw/zinc/43/24/65/892432465.db2.gz ADPOOSCJFXOECK-KRWDZBQOSA-N 2 3 308.514 1.571 20 0 DDADHP c1ccc(CC2([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246469907 892645047 /nfs/dbraw/zinc/64/50/47/892645047.db2.gz XDAXYMLPGGDJDP-QGZVFWFLSA-N 2 3 314.477 1.035 20 0 DDADHP CCCC[C@@H]1C[C@@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246973646 893040087 /nfs/dbraw/zinc/04/00/87/893040087.db2.gz HLWJRWXLCGCPLB-FGTMMUONSA-N 2 3 308.514 1.795 20 0 DDADHP CCN1CCN(CCCC[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000154545392 539206640 /nfs/dbraw/zinc/20/66/40/539206640.db2.gz GTOIRJDXODENRY-QGZVFWFLSA-N 2 3 310.530 1.724 20 0 DDADHP [NH3+]CCOCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000357089533 409861592 /nfs/dbraw/zinc/86/15/92/409861592.db2.gz UIHHPGSUNDACID-OAHLLOKOSA-N 2 3 309.479 1.668 20 0 DDADHP C[C@@H]1C[NH+](CC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000346859997 410203454 /nfs/dbraw/zinc/20/34/54/410203454.db2.gz ZVEJSQYEFMMRRB-JFIYKMOQSA-N 2 3 309.498 1.807 20 0 DDADHP COc1ccc([C@@H](CN)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000420329369 420214905 /nfs/dbraw/zinc/21/49/05/420214905.db2.gz GMILHERFOUGPQW-INIZCTEOSA-N 2 3 303.450 1.813 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643512468 423184408 /nfs/dbraw/zinc/18/44/08/423184408.db2.gz LTNZDLCUAHTORE-KMANFZQXSA-N 2 3 301.434 1.959 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420333833 302382381 /nfs/dbraw/zinc/38/23/81/302382381.db2.gz TULAMWAEGMGZEW-RTBURBONSA-N 2 3 322.541 1.724 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420333833 302382384 /nfs/dbraw/zinc/38/23/84/302382384.db2.gz TULAMWAEGMGZEW-RTBURBONSA-N 2 3 322.541 1.724 20 0 DDADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000903756631 711269986 /nfs/dbraw/zinc/26/99/86/711269986.db2.gz UQWBFSHEEVZGJU-LULLPPNCSA-N 2 3 319.493 1.704 20 0 DDADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000903756631 711269989 /nfs/dbraw/zinc/26/99/89/711269989.db2.gz UQWBFSHEEVZGJU-LULLPPNCSA-N 2 3 319.493 1.704 20 0 DDADHP NCC1([C@@H]2CCCC[N@@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903810974 711288852 /nfs/dbraw/zinc/28/88/52/711288852.db2.gz IMMOUUGWIBEBFZ-IXDOHACOSA-N 2 3 307.482 1.739 20 0 DDADHP NCC1([C@@H]2CCCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903810974 711288853 /nfs/dbraw/zinc/28/88/53/711288853.db2.gz IMMOUUGWIBEBFZ-IXDOHACOSA-N 2 3 307.482 1.739 20 0 DDADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903918422 711331839 /nfs/dbraw/zinc/33/18/39/711331839.db2.gz ZHVOXTJZBMVAOU-OWCLPIDISA-N 2 3 318.469 1.024 20 0 DDADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001161488939 866706117 /nfs/dbraw/zinc/70/61/17/866706117.db2.gz INAQRSZWZODMPL-CRAIPNDOSA-N 2 3 322.497 1.038 20 0 DDADHP C[C@@]1([NH3+])CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001205273081 871479498 /nfs/dbraw/zinc/47/94/98/871479498.db2.gz DOAPIYYQVWFXRZ-LJQANCHMSA-N 2 3 316.493 1.795 20 0 DDADHP [NH3+]C1CN([C@@H]2CCCN(Cc3cc4c(s3)C[NH2+]CC4)C2)C1 ZINC001236079952 889096527 /nfs/dbraw/zinc/09/65/27/889096527.db2.gz URRTYAAVGFUNNQ-CQSZACIVSA-N 2 3 306.479 1.001 20 0 DDADHP [NH3+]CC1(F)CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001246020985 892344750 /nfs/dbraw/zinc/34/47/50/892344750.db2.gz DFCXZSWKQBZFID-SFHVURJKSA-N 2 3 321.440 1.386 20 0 DDADHP [NH3+]CC1(F)CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001246020985 892344770 /nfs/dbraw/zinc/34/47/70/892344770.db2.gz DFCXZSWKQBZFID-SFHVURJKSA-N 2 3 321.440 1.386 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC2(CC([NH3+])C2)CC1 ZINC001246034814 892370266 /nfs/dbraw/zinc/37/02/66/892370266.db2.gz YIOHTQORJGTSKU-DLBZAZTESA-N 2 3 303.450 1.121 20 0 DDADHP [NH3+]C1CCC(N(Cc2ccccc2)C[C@]2(O)CC[NH2+]C2)CC1 ZINC001246063548 892394817 /nfs/dbraw/zinc/39/48/17/892394817.db2.gz KNTKUMSQYXTFNE-ABHNRTSZSA-N 2 3 303.450 1.483 20 0 DDADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138850 892435221 /nfs/dbraw/zinc/43/52/21/892435221.db2.gz CFCZXBLHJUQQSL-SJORKVTESA-N 2 3 320.525 1.905 20 0 DDADHP CCOC(=O)C[C@H](N[C@@H]1CC[NH2+][C@@H](CC)C1)C1CC[NH2+]CC1 ZINC001246224876 892488340 /nfs/dbraw/zinc/48/83/40/892488340.db2.gz CCWLRSCPVSPPOL-XHSDSOJGSA-N 2 3 311.470 1.428 20 0 DDADHP Fc1ccc(C2([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246336207 892547056 /nfs/dbraw/zinc/54/70/56/892547056.db2.gz MCLMSCLXMYYGAL-INIZCTEOSA-N 2 3 318.440 1.088 20 0 DDADHP COc1cccc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)c1 ZINC001246384213 892588768 /nfs/dbraw/zinc/58/87/68/892588768.db2.gz AEPKDWDWQXQINO-UHFFFAOYSA-N 2 3 303.450 1.658 20 0 DDADHP C(NC1CCC2(CC1)C[NH2+]CCO2)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460947 892640363 /nfs/dbraw/zinc/64/03/63/892640363.db2.gz LOGLPGSXIIPSRH-LXPRWKDFSA-N 2 3 307.482 1.800 20 0 DDADHP NC1=CC=C(C2CC[NH+](C3CCC4(CC[NH2+]C4)CC3)CC2)NC1 ZINC001246498022 892658898 /nfs/dbraw/zinc/65/88/98/892658898.db2.gz ZYJRVUFHZRXXHT-UHFFFAOYSA-N 2 3 316.493 1.950 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[nH+]1 ZINC000635011743 422764964 /nfs/dbraw/zinc/76/49/64/422764964.db2.gz PDXFSYPFRVENGX-BRWVUGGUSA-N 2 3 315.465 1.824 20 0 DDADHP CN(C)C[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](CN(C)C)C2)C1 ZINC000246904248 408363858 /nfs/dbraw/zinc/36/38/58/408363858.db2.gz HFPXJTZZCJPRHL-OALUTQOASA-N 2 3 324.557 1.924 20 0 DDADHP CN(C)C[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](CN(C)C)C2)C1 ZINC000246904248 408363866 /nfs/dbraw/zinc/36/38/66/408363866.db2.gz HFPXJTZZCJPRHL-OALUTQOASA-N 2 3 324.557 1.924 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCCCCC[NH3+])CC1 ZINC000846221759 703252646 /nfs/dbraw/zinc/25/26/46/703252646.db2.gz NSDKUIJXNPAXTR-HDICACEKSA-N 2 3 310.530 1.996 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCCCCC[NH3+])CC1 ZINC000846221759 703252647 /nfs/dbraw/zinc/25/26/47/703252647.db2.gz NSDKUIJXNPAXTR-HDICACEKSA-N 2 3 310.530 1.996 20 0 DDADHP C[NH+](C)CCC[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923398253 714341505 /nfs/dbraw/zinc/34/15/05/714341505.db2.gz SKLJOXAVIMXACA-FBVQUNGASA-N 2 3 309.498 1.950 20 0 DDADHP C[C@H]1NCCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000925545495 714884726 /nfs/dbraw/zinc/88/47/26/714884726.db2.gz GLXBVINQAGGSBX-AEFFLSMTSA-N 2 3 317.481 1.324 20 0 DDADHP [NH3+][C@H]1CCC[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925817025 714943136 /nfs/dbraw/zinc/94/31/36/714943136.db2.gz MCPKHECNGRKXHJ-ZWKOTPCHSA-N 2 3 302.466 1.451 20 0 DDADHP CC[NH+](CC)CCC[C@@H](C)[NH+](CCN(C)C)CCN(C)C ZINC001167826512 738921417 /nfs/dbraw/zinc/92/14/17/738921417.db2.gz PKJNIDNJPVONQO-QGZVFWFLSA-N 2 3 300.535 1.922 20 0 DDADHP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N1CCCC1 ZINC001180578504 779816091 /nfs/dbraw/zinc/81/60/91/779816091.db2.gz IMYFOHMOJKCGPQ-INIZCTEOSA-N 2 3 312.502 1.203 20 0 DDADHP C[NH+]1CCC(CN2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC001208615222 874329263 /nfs/dbraw/zinc/32/92/63/874329263.db2.gz HGZQFWMWGSOCRP-SFHVURJKSA-N 2 3 308.514 1.288 20 0 DDADHP C[NH+]1CCC(CN2CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001208615222 874329274 /nfs/dbraw/zinc/32/92/74/874329274.db2.gz HGZQFWMWGSOCRP-SFHVURJKSA-N 2 3 308.514 1.288 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248170 879612697 /nfs/dbraw/zinc/61/26/97/879612697.db2.gz LYZQOIZUJMXEED-DOTOQJQBSA-N 2 3 310.486 1.084 20 0 DDADHP c1c(CN2CCOCC3(CC[NH2+]CC3)C2)sc2c1CC[NH2+]C2 ZINC001222407118 880446037 /nfs/dbraw/zinc/44/60/37/880446037.db2.gz DDNVIUOXYIMJGO-UHFFFAOYSA-N 2 3 321.490 1.596 20 0 DDADHP O[C@@]1(C[NH2+][C@H]2CC3(CC[NH2+]CC3)c3ccccc32)CCCNC1 ZINC001245997706 892314962 /nfs/dbraw/zinc/31/49/62/892314962.db2.gz VKENCACSGCFTFF-HKUYNNGSSA-N 2 3 315.461 1.457 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001246028455 892357733 /nfs/dbraw/zinc/35/77/33/892357733.db2.gz BVXZKNMVOGMSLI-ZWKOTPCHSA-N 2 3 317.477 1.383 20 0 DDADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001246145833 892441028 /nfs/dbraw/zinc/44/10/28/892441028.db2.gz FHLWSTLIZACBCG-VQHPVUNQSA-N 2 3 307.482 1.655 20 0 DDADHP CCOC(=O)C1(C[NH2+][C@@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC001246320252 892538004 /nfs/dbraw/zinc/53/80/04/892538004.db2.gz PUFHEIOSPDTXFI-CQSZACIVSA-N 2 3 309.454 1.184 20 0 DDADHP CCOC(=O)CC1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246327869 892540842 /nfs/dbraw/zinc/54/08/42/892540842.db2.gz VBPVIOJZKXDUQJ-DOTOQJQBSA-N 2 3 323.481 1.574 20 0 DDADHP C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332172 892544923 /nfs/dbraw/zinc/54/49/23/892544923.db2.gz FDRRVCUMNFWOMU-DOTOQJQBSA-N 2 3 302.466 1.177 20 0 DDADHP C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332172 892544931 /nfs/dbraw/zinc/54/49/31/892544931.db2.gz FDRRVCUMNFWOMU-DOTOQJQBSA-N 2 3 302.466 1.177 20 0 DDADHP c1cncc(C2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246421521 892616523 /nfs/dbraw/zinc/61/65/23/892616523.db2.gz CKSJQXQPBLXUGU-QGZVFWFLSA-N 2 3 314.477 1.967 20 0 DDADHP C[C@@H](CCCC[NH3+])[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000422841420 533538053 /nfs/dbraw/zinc/53/80/53/533538053.db2.gz CYWLRMBFFWMJDS-KRWDZBQOSA-N 2 3 319.497 1.701 20 0 DDADHP CN1CC[C@@]2(CC[N@H+](CCCN3CC[C@@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000368352066 301009930 /nfs/dbraw/zinc/00/99/30/301009930.db2.gz NXEAZBXEXLAXGS-RTBURBONSA-N 2 3 320.525 1.432 20 0 DDADHP CN1CC[C@@]2(CC[N@@H+](CCCN3CC[C@@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000368352066 301009932 /nfs/dbraw/zinc/00/99/32/301009932.db2.gz NXEAZBXEXLAXGS-RTBURBONSA-N 2 3 320.525 1.432 20 0 DDADHP CN1CC[C@@]2(CC[NH+](CCCN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000368352066 301009935 /nfs/dbraw/zinc/00/99/35/301009935.db2.gz NXEAZBXEXLAXGS-RTBURBONSA-N 2 3 320.525 1.432 20 0 DDADHP CN1CC[C@@]2(CC[NH+](CCCN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000368352066 301009937 /nfs/dbraw/zinc/00/99/37/301009937.db2.gz NXEAZBXEXLAXGS-RTBURBONSA-N 2 3 320.525 1.432 20 0 DDADHP C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000580902720 308640180 /nfs/dbraw/zinc/64/01/80/308640180.db2.gz MYHRRVFLLIZELP-IRXDYDNUSA-N 2 3 318.465 1.338 20 0 DDADHP COCC1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC[NH2+]CC1 ZINC000925699659 714917171 /nfs/dbraw/zinc/91/71/71/714917171.db2.gz LNBMWHZCGWGXJU-SJORKVTESA-N 2 3 309.498 1.761 20 0 DDADHP C[C@@H]1C[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)CC[N@@H+]1C ZINC000925810056 714940998 /nfs/dbraw/zinc/94/09/98/714940998.db2.gz UZTXMDSQCONZRN-APWZRJJASA-N 2 3 316.493 1.664 20 0 DDADHP C[C@@H]1C[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)CC[N@H+]1C ZINC000925810056 714941001 /nfs/dbraw/zinc/94/10/01/714941001.db2.gz UZTXMDSQCONZRN-APWZRJJASA-N 2 3 316.493 1.664 20 0 DDADHP CCCC(C[NH3+])(CCC)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001221371967 838924070 /nfs/dbraw/zinc/92/40/70/838924070.db2.gz IORHJTGDROOYTK-AWEZNQCLSA-N 2 3 300.491 1.460 20 0 DDADHP CN(C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058071 866332188 /nfs/dbraw/zinc/33/21/88/866332188.db2.gz MPTOIXVQPCCWJV-HYVNUMGLSA-N 2 3 322.497 1.179 20 0 DDADHP CC(C)C1(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001161444259 866671002 /nfs/dbraw/zinc/67/10/02/866671002.db2.gz FUPGZIZTBUQUNO-INIZCTEOSA-N 2 3 324.513 1.154 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+](CCC3CC[NH2+]CC3)C[C@@H]1CNCCC2 ZINC001222125547 880273303 /nfs/dbraw/zinc/27/33/03/880273303.db2.gz OIMCDAAGZHKCTJ-WMZOPIPTSA-N 2 3 323.481 1.241 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+](CCC3CC[NH2+]CC3)C[C@@H]1CNCCC2 ZINC001222125547 880273315 /nfs/dbraw/zinc/27/33/15/880273315.db2.gz OIMCDAAGZHKCTJ-WMZOPIPTSA-N 2 3 323.481 1.241 20 0 DDADHP c1ccc([C@H]2C[NH2+]C[C@]23CCN(CC[C@H]2C[NH2+]CCO2)C3)cc1 ZINC001235379758 888601707 /nfs/dbraw/zinc/60/17/07/888601707.db2.gz QORQOTLTECURNT-OTWHNJEPSA-N 2 3 315.461 1.444 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246124248 892425270 /nfs/dbraw/zinc/42/52/70/892425270.db2.gz DNZXCVCGZXGKAV-JYJNAYRXSA-N 2 3 309.498 1.901 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CC4(C[NH2+]C4)CO3)CCN2)cc1 ZINC001246135795 892431126 /nfs/dbraw/zinc/43/11/26/892431126.db2.gz ZIKFQCZEMCIXHB-KSZLIROESA-N 2 3 315.461 1.318 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)CCN2)cc1 ZINC001246149591 892444147 /nfs/dbraw/zinc/44/41/47/892444147.db2.gz KFOPSFRREOPAFK-NTZUZEMLSA-N 2 3 315.461 1.174 20 0 DDADHP C([NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246153961 892447597 /nfs/dbraw/zinc/44/75/97/892447597.db2.gz SUHIKEBEJGGLEJ-MHORFTMASA-N 2 3 307.482 1.657 20 0 DDADHP C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246184520 892469996 /nfs/dbraw/zinc/46/99/96/892469996.db2.gz SNARJWNWRYLFOZ-HOTGVXAUSA-N 2 3 307.482 1.800 20 0 DDADHP C([NH2+][C@H]1CCNC2(CCC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246184520 892470008 /nfs/dbraw/zinc/47/00/08/892470008.db2.gz SNARJWNWRYLFOZ-HOTGVXAUSA-N 2 3 307.482 1.800 20 0 DDADHP CCOC(=O)C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC[NH2+]CC1 ZINC001246227468 892490114 /nfs/dbraw/zinc/49/01/14/892490114.db2.gz LBWBOIHPXIANNR-HOTGVXAUSA-N 2 3 323.481 1.572 20 0 DDADHP CCOC(=O)CC1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNCC1 ZINC001246326487 892542066 /nfs/dbraw/zinc/54/20/66/892542066.db2.gz PJHSYUZWBHVZKS-UHFFFAOYSA-N 2 3 323.481 1.574 20 0 DDADHP [NH3+]CCNCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246404886 892604493 /nfs/dbraw/zinc/60/44/93/892604493.db2.gz LYLHUSVPJOIGNR-LDLYASANSA-N 2 3 316.493 1.710 20 0 DDADHP [NH3+]CCNCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246404886 892604509 /nfs/dbraw/zinc/60/45/09/892604509.db2.gz LYLHUSVPJOIGNR-LDLYASANSA-N 2 3 316.493 1.710 20 0 DDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCOC[C@]3(CCCNC3)C1)C2 ZINC001246644363 892764758 /nfs/dbraw/zinc/76/47/58/892764758.db2.gz GYGBRVLFGXJGRB-BZSNNMDCSA-N 2 3 307.482 1.611 20 0 DDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCOC[C@]3(CCCNC3)C1)C2 ZINC001246644363 892764774 /nfs/dbraw/zinc/76/47/74/892764774.db2.gz GYGBRVLFGXJGRB-BZSNNMDCSA-N 2 3 307.482 1.611 20 0 DDADHP COCC[N@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@H]1CCCNC1 ZINC001246927978 892995866 /nfs/dbraw/zinc/99/58/66/892995866.db2.gz IYXQXZLDWONLTJ-ADKAHSJRSA-N 2 3 309.498 1.999 20 0 DDADHP COCC[N@@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@H]1CCCNC1 ZINC001246927978 892995877 /nfs/dbraw/zinc/99/58/77/892995877.db2.gz IYXQXZLDWONLTJ-ADKAHSJRSA-N 2 3 309.498 1.999 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623356826 365830755 /nfs/dbraw/zinc/83/07/55/365830755.db2.gz JUAKKEAGEUIRCP-QGZVFWFLSA-N 2 3 310.530 1.867 20 0 DDADHP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297287492 409892621 /nfs/dbraw/zinc/89/26/21/409892621.db2.gz AEYQRRXITBTEDQ-SFHVURJKSA-N 2 3 320.481 1.997 20 0 DDADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000647789498 423048073 /nfs/dbraw/zinc/04/80/73/423048073.db2.gz GMPQJGBZQNDONK-CWQOZTLDSA-N 2 3 309.498 1.854 20 0 DDADHP CC(C)C[C@H]([NH3+])CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415137974 419961115 /nfs/dbraw/zinc/96/11/15/419961115.db2.gz UPBOFDKPGGBBHK-SFHVURJKSA-N 2 3 318.509 1.943 20 0 DDADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@H]1CC12CC[NH2+]CC2 ZINC000643535348 423193492 /nfs/dbraw/zinc/19/34/92/423193492.db2.gz CEDPQHYOHLVGHJ-HHXXYDBFSA-N 2 3 313.445 1.974 20 0 DDADHP CN(C)CCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952040 485385091 /nfs/dbraw/zinc/38/50/91/485385091.db2.gz CQUPBSLXRSKHIZ-KRWDZBQOSA-N 2 3 303.450 1.859 20 0 DDADHP C[C@@H]1[C@H](C[NH3+])CCCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001205904941 871916240 /nfs/dbraw/zinc/91/62/40/871916240.db2.gz YSVUGHNBUYYLDD-CVEARBPZSA-N 2 3 302.466 1.655 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394699 878976403 /nfs/dbraw/zinc/97/64/03/878976403.db2.gz MFOSNDWXOMWWOD-HNNXBMFYSA-N 2 3 310.486 1.084 20 0 DDADHP CN1CCC([N@H+](CC[C@@H]2CCC[NH2+]C2)C2CCNCC2)CC1 ZINC001237038855 889475824 /nfs/dbraw/zinc/47/58/24/889475824.db2.gz XTPFJDCFYPWQTL-INIZCTEOSA-N 2 3 308.514 1.524 20 0 DDADHP CN1CCC([N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CCNCC2)CC1 ZINC001237038855 889475830 /nfs/dbraw/zinc/47/58/30/889475830.db2.gz XTPFJDCFYPWQTL-INIZCTEOSA-N 2 3 308.514 1.524 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@@H]3C[C@@H]4C[NH2+]C[C@@H]4O3)CCN2)cc1 ZINC001246133660 892426848 /nfs/dbraw/zinc/42/68/48/892426848.db2.gz RCZBPCNPCFLKTP-LFDJNIOPSA-N 2 3 315.461 1.316 20 0 DDADHP c1cncc(C2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246421520 892616500 /nfs/dbraw/zinc/61/65/00/892616500.db2.gz CKSJQXQPBLXUGU-KRWDZBQOSA-N 2 3 314.477 1.967 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246653977 892769941 /nfs/dbraw/zinc/76/99/41/892769941.db2.gz GCTGXLSCZIGNKK-XQLPTFJDSA-N 2 3 317.399 1.992 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246653977 892769949 /nfs/dbraw/zinc/76/99/49/892769949.db2.gz GCTGXLSCZIGNKK-XQLPTFJDSA-N 2 3 317.399 1.992 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CC[NH2+]1 ZINC001246963392 893027669 /nfs/dbraw/zinc/02/76/69/893027669.db2.gz AMJYWTUKXSCJOA-UAGQMJEPSA-N 2 3 308.514 1.651 20 0 DDADHP CCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414837551 419833912 /nfs/dbraw/zinc/83/39/12/419833912.db2.gz UMMMVHCJXDUZIK-KRWDZBQOSA-N 2 3 316.493 1.918 20 0 DDADHP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420320428 420205306 /nfs/dbraw/zinc/20/53/06/420205306.db2.gz QFFMGQMADPRUCI-QRVBRYPASA-N 2 3 322.541 1.867 20 0 DDADHP N[C@@H](CCC[NH3+])Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001170902053 771901095 /nfs/dbraw/zinc/90/10/95/771901095.db2.gz AJNITCVQQRVIRG-QGZVFWFLSA-N 3 3 305.470 1.293 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001118197774 781059608 /nfs/dbraw/zinc/05/96/08/781059608.db2.gz BWCRTNHCNBAJJL-UHFFFAOYSA-N 2 3 322.541 1.868 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001118197774 781059615 /nfs/dbraw/zinc/05/96/15/781059615.db2.gz BWCRTNHCNBAJJL-UHFFFAOYSA-N 2 3 322.541 1.868 20 0 DDADHP [NH3+]C1CCN(c2cccc(NC[C@@H]3CC[NH2+]C[C@@H]3F)n2)CC1 ZINC001162804944 867838806 /nfs/dbraw/zinc/83/88/06/867838806.db2.gz BIRFPROMVNBVKD-JSGCOSHPSA-N 2 3 307.417 1.369 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218899080 877794657 /nfs/dbraw/zinc/79/46/57/877794657.db2.gz UYRCFHQACUYCNE-INIZCTEOSA-N 2 3 320.481 1.921 20 0 DDADHP CC(C)CN(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187866 879558074 /nfs/dbraw/zinc/55/80/74/879558074.db2.gz ILFLKKDHYYFWAW-BZUAXINKSA-N 2 3 310.486 1.068 20 0 DDADHP c1ccc([C@H]2C[NH2+]C[C@@]23CCN(CC[C@@H]2C[NH2+]CCO2)C3)cc1 ZINC001235349529 888575726 /nfs/dbraw/zinc/57/57/26/888575726.db2.gz QORQOTLTECURNT-GUDVDZBRSA-N 2 3 315.461 1.444 20 0 DDADHP [NH3+]CCCCN1CCCn2cnc(C[NH2+]C3CCOCC3)c2C1 ZINC001235652893 888849490 /nfs/dbraw/zinc/84/94/90/888849490.db2.gz KREVOUTYPUTXNK-UHFFFAOYSA-N 2 3 321.469 1.096 20 0 DDADHP C[C@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC001246023692 892350843 /nfs/dbraw/zinc/35/08/43/892350843.db2.gz SMTSSBQRZDZFEO-FUHWJXTLSA-N 2 3 317.477 1.540 20 0 DDADHP C[C@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC001246023692 892350863 /nfs/dbraw/zinc/35/08/63/892350863.db2.gz SMTSSBQRZDZFEO-FUHWJXTLSA-N 2 3 317.477 1.540 20 0 DDADHP c1ccc(C[C@H]2C[C@H]([NH2+]C[C@H]3C[C@@H]4C[NH2+]C[C@@H]4O3)CCN2)cc1 ZINC001246148767 892443736 /nfs/dbraw/zinc/44/37/36/892443736.db2.gz RCZBPCNPCFLKTP-FQBWVUSXSA-N 2 3 315.461 1.316 20 0 DDADHP CCOC(=O)C[C@@H]([NH2+][C@@H]1CCNC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246225098 892487960 /nfs/dbraw/zinc/48/79/60/892487960.db2.gz COWXDDWOYPJJQX-HUUCEWRRSA-N 2 3 311.470 1.428 20 0 DDADHP c1cncc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246424829 892619195 /nfs/dbraw/zinc/61/91/95/892619195.db2.gz WXJVQULUSVXSEX-BCDXTJNWSA-N 2 3 314.477 1.966 20 0 DDADHP [NH3+]CC1CN([C@@H]2CCCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246871907 892961183 /nfs/dbraw/zinc/96/11/83/892961183.db2.gz ORWXGMFRTRBIIX-QZTJIDSGSA-N 2 3 320.525 1.796 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCC(N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246889768 892970439 /nfs/dbraw/zinc/97/04/39/892970439.db2.gz ZRRDUYQMNSLWAX-IRXDYDNUSA-N 2 3 308.514 1.523 20 0 DDADHP C1CCC2(CC1)C[C@@H](N1CCC(N3CC[NH2+]CC3)CC1)CC[NH2+]2 ZINC001246887383 892970814 /nfs/dbraw/zinc/97/08/14/892970814.db2.gz OJURMOZRWBLVEM-SFHVURJKSA-N 2 3 320.525 1.811 20 0 DDADHP [NH3+]C1CCN([C@H]2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)CC1 ZINC001246974191 893039974 /nfs/dbraw/zinc/03/99/74/893039974.db2.gz JFZIFAFSTHVIMZ-ROUUACIJSA-N 2 3 320.525 1.939 20 0 DDADHP CCOC(=O)C1([C@@H](C)NCC2([NH3+])CCCCC2)CC[NH2+]CC1 ZINC000423186138 419985340 /nfs/dbraw/zinc/98/53/40/419985340.db2.gz WMHADPCAVGIVMD-CQSZACIVSA-N 2 3 311.470 1.559 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420322980 420208323 /nfs/dbraw/zinc/20/83/23/420208323.db2.gz XKGXCFZYBOJZKS-FHWLQOOXSA-N 2 3 317.477 1.239 20 0 DDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420322980 420208326 /nfs/dbraw/zinc/20/83/26/420208326.db2.gz XKGXCFZYBOJZKS-FHWLQOOXSA-N 2 3 317.477 1.239 20 0 DDADHP CC[C@H](NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000665233342 424761755 /nfs/dbraw/zinc/76/17/55/424761755.db2.gz FIPXXCZKEOIWTN-ROUUACIJSA-N 2 3 309.498 1.998 20 0 DDADHP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCCN1 ZINC000665233342 424761756 /nfs/dbraw/zinc/76/17/56/424761756.db2.gz FIPXXCZKEOIWTN-ROUUACIJSA-N 2 3 309.498 1.998 20 0 DDADHP Cc1c(C[C@@H](C[NH3+])CN2CCC([C@@H]3CCC[NH2+]3)CC2)cnn1C ZINC000903873663 711311569 /nfs/dbraw/zinc/31/15/69/711311569.db2.gz JZAHFWSVMBXQRB-YJBOKZPZSA-N 2 3 319.497 1.310 20 0 DDADHP Cc1c(C[C@H](CN)C[NH2+]C2CCC(C)([NH+](C)C)CC2)cnn1C ZINC000903937356 711341153 /nfs/dbraw/zinc/34/11/53/711341153.db2.gz IYCIRWYFKGTUCX-FAEJEUNOSA-N 2 3 321.513 1.698 20 0 DDADHP C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925727894 714922718 /nfs/dbraw/zinc/92/27/18/714922718.db2.gz BMRXLSPDANXVKY-OKZBNKHCSA-N 2 3 321.509 1.903 20 0 DDADHP C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925727894 714922720 /nfs/dbraw/zinc/92/27/20/714922720.db2.gz BMRXLSPDANXVKY-OKZBNKHCSA-N 2 3 321.509 1.903 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158028383 864365028 /nfs/dbraw/zinc/36/50/28/864365028.db2.gz PWLVDYPUWVYSQG-RDJZCZTQSA-N 2 3 310.486 1.215 20 0 DDADHP CCOC(=O)CC1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246328739 892540880 /nfs/dbraw/zinc/54/08/80/892540880.db2.gz ZEWHLQDFCVYKRP-HNNXBMFYSA-N 2 3 323.481 1.574 20 0 DDADHP CN1CC[C@@]2(CC[N@@H+](C3CCC([NH+]4CCOCC4)CC3)C2)C1 ZINC001256695593 897548936 /nfs/dbraw/zinc/54/89/36/897548936.db2.gz GAPGMVOVQQJNRE-DAWZGUTISA-N 2 3 307.482 1.657 20 0 DDADHP CN1CC[C@@]2(CC[N@H+](C3CCC([NH+]4CCOCC4)CC3)C2)C1 ZINC001256695593 897548952 /nfs/dbraw/zinc/54/89/52/897548952.db2.gz GAPGMVOVQQJNRE-DAWZGUTISA-N 2 3 307.482 1.657 20 0 DDADHP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCC([NH+](C)C)CC1 ZINC000422814795 532977922 /nfs/dbraw/zinc/97/79/22/532977922.db2.gz AFJWNNCEECGALE-VQIMIIECSA-N 2 3 318.509 1.561 20 0 DDADHP CN1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)CC1 ZINC000647783920 423047567 /nfs/dbraw/zinc/04/75/67/423047567.db2.gz DTJMNUSXONTGBW-TWMKSMIVSA-N 2 3 306.498 1.133 20 0 DDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635467219 422016905 /nfs/dbraw/zinc/01/69/05/422016905.db2.gz ZMGSIZCDZLFYKZ-DLBZAZTESA-N 2 3 324.513 1.203 20 0 DDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635467219 422016911 /nfs/dbraw/zinc/01/69/11/422016911.db2.gz ZMGSIZCDZLFYKZ-DLBZAZTESA-N 2 3 324.513 1.203 20 0 DDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635467219 422016918 /nfs/dbraw/zinc/01/69/18/422016918.db2.gz ZMGSIZCDZLFYKZ-DLBZAZTESA-N 2 3 324.513 1.203 20 0 DDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635467219 422016925 /nfs/dbraw/zinc/01/69/25/422016925.db2.gz ZMGSIZCDZLFYKZ-DLBZAZTESA-N 2 3 324.513 1.203 20 0 DDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665234080 424762505 /nfs/dbraw/zinc/76/25/05/424762505.db2.gz WVFYDPAPCYIMGR-FUHWJXTLSA-N 2 3 309.498 1.985 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422815846 289069326 /nfs/dbraw/zinc/06/93/26/289069326.db2.gz CQZNBDYIVFRFNY-IPMKNSEASA-N 2 3 322.541 1.913 20 0 DDADHP C[C@H]1[NH2+]CCC[C@@H]1NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000925512579 714877359 /nfs/dbraw/zinc/87/73/59/714877359.db2.gz DBRVJXWOKIVJRP-SJORKVTESA-N 2 3 308.514 1.667 20 0 DDADHP [NH3+]CC1(c2ccccc2)CC[NH+](CC[C@H]2CNCCO2)CC1 ZINC001206745287 872550684 /nfs/dbraw/zinc/55/06/84/872550684.db2.gz SPBNYCHTXHBSHQ-KRWDZBQOSA-N 2 3 303.450 1.357 20 0 DDADHP [NH3+]C1([C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]2CF)CC1 ZINC001235399954 888614499 /nfs/dbraw/zinc/61/44/99/888614499.db2.gz BDVDCMOEIQQVOM-IRXDYDNUSA-N 2 3 303.425 1.841 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@H]3C[C@@H]4C[NH2+]C[C@@H]4O3)CCN2)cc1 ZINC001246133662 892427365 /nfs/dbraw/zinc/42/73/65/892427365.db2.gz RCZBPCNPCFLKTP-NNIGNNQHSA-N 2 3 315.461 1.316 20 0 DDADHP C(C[C@@H]1CCOC12CC[NH2+]CC2)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246138940 892436047 /nfs/dbraw/zinc/43/60/47/892436047.db2.gz LLTDLPAKYIUJIM-HZPDHXFCSA-N 2 3 307.482 1.800 20 0 DDADHP CC(C)[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246180802 892467844 /nfs/dbraw/zinc/46/78/44/892467844.db2.gz PSJCYCVSPMRXEP-BBWFWOEESA-N 2 3 309.498 1.901 20 0 DDADHP CN(CCC[NH3+])CCC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246285687 892513196 /nfs/dbraw/zinc/51/31/96/892513196.db2.gz UISBRLLDGIQFFX-QZTJIDSGSA-N 2 3 304.482 1.740 20 0 DDADHP COc1cccc(CC2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)c1 ZINC001246378978 892587214 /nfs/dbraw/zinc/58/72/14/892587214.db2.gz BUCUUTVWODNUII-UHFFFAOYSA-N 2 3 317.477 1.949 20 0 DDADHP C[C@H]1C[C@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CCN1 ZINC001246541043 892686748 /nfs/dbraw/zinc/68/67/48/892686748.db2.gz NNNUGLSAFMDTDP-FUHWJXTLSA-N 2 3 309.498 1.951 20 0 DDADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246932099 892998393 /nfs/dbraw/zinc/99/83/93/892998393.db2.gz DPQRQCQCHMTLCE-NVXWUHKLSA-N 2 3 307.482 1.752 20 0 DDADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246932099 892998399 /nfs/dbraw/zinc/99/83/99/892998399.db2.gz DPQRQCQCHMTLCE-NVXWUHKLSA-N 2 3 307.482 1.752 20 0 DDADHP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359221379 299362333 /nfs/dbraw/zinc/36/23/33/299362333.db2.gz PKQKZQSULQVARJ-QZTJIDSGSA-N 2 3 322.541 1.867 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)CC[NH2+]CC1 ZINC000423269316 419998917 /nfs/dbraw/zinc/99/89/17/419998917.db2.gz FJZIFHNNEQWKNG-RRFJBIMHSA-N 2 3 311.470 1.415 20 0 DDADHP C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000580902721 421862134 /nfs/dbraw/zinc/86/21/34/421862134.db2.gz MYHRRVFLLIZELP-SJORKVTESA-N 2 3 318.465 1.338 20 0 DDADHP COC[C@H](CCC[NH3+])[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240029 424763666 /nfs/dbraw/zinc/76/36/66/424763666.db2.gz AYWURIZJHCPAEC-SFHVURJKSA-N 2 3 320.481 1.637 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000247065171 282033116 /nfs/dbraw/zinc/03/31/16/282033116.db2.gz OANMFOFUODBEMF-FGTMMUONSA-N 2 3 310.530 1.722 20 0 DDADHP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000547623036 303543092 /nfs/dbraw/zinc/54/30/92/303543092.db2.gz XDSMDGDYVYIBHZ-AWEZNQCLSA-N 2 3 300.491 1.105 20 0 DDADHP O[C@H](CNC1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000863552536 705956021 /nfs/dbraw/zinc/95/60/21/705956021.db2.gz SUYOKGSJFKTKBC-DAWZGUTISA-N 2 3 309.498 1.830 20 0 DDADHP CN1CCN(CC2(C)CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000903457553 711132798 /nfs/dbraw/zinc/13/27/98/711132798.db2.gz WVINIAIQKMLAJI-SJORKVTESA-N 2 3 308.514 1.463 20 0 DDADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903785047 711279531 /nfs/dbraw/zinc/27/95/31/711279531.db2.gz VEAFSXUQPMRUTA-SJLPKXTDSA-N 2 3 307.482 1.611 20 0 DDADHP CCOC(=O)CC1(N)CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168315727 742181797 /nfs/dbraw/zinc/18/17/97/742181797.db2.gz MCMFIXOQOYASHK-UHFFFAOYSA-N 2 3 311.470 1.606 20 0 DDADHP CCN(CC)CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001180389289 779742206 /nfs/dbraw/zinc/74/22/06/779742206.db2.gz GZGKWANEFFCZTQ-UHFFFAOYSA-N 2 3 300.491 1.060 20 0 DDADHP Cc1c[nH+]c(N2CCN(CC3CC[NH+](C)CC3)CC2)cc1N ZINC001157842472 864188098 /nfs/dbraw/zinc/18/80/98/864188098.db2.gz RFZGDGFNRIANLU-UHFFFAOYSA-N 2 3 303.454 1.436 20 0 DDADHP CN(Cc1ccc(NCCC[NH2+]CCCC[NH3+])nc1)C1CC1 ZINC001162294225 867418312 /nfs/dbraw/zinc/41/83/12/867418312.db2.gz DIHOXEMEBICFFB-UHFFFAOYSA-N 2 3 305.470 1.806 20 0 DDADHP C[C@]1([NH3+])CCCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001205273023 871478240 /nfs/dbraw/zinc/47/82/40/871478240.db2.gz CJYZXIDDHBUSEX-SFHVURJKSA-N 2 3 302.466 1.800 20 0 DDADHP C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001205904942 871915720 /nfs/dbraw/zinc/91/57/20/871915720.db2.gz YSVUGHNBUYYLDD-HOTGVXAUSA-N 2 3 302.466 1.655 20 0 DDADHP c1ccc([C@H]2C[NH2+]C[C@@]23CCN(CC[C@H]2C[NH2+]CCO2)C3)cc1 ZINC001235349548 888576230 /nfs/dbraw/zinc/57/62/30/888576230.db2.gz QORQOTLTECURNT-IPMKNSEASA-N 2 3 315.461 1.444 20 0 DDADHP Fc1cccc(CN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CC[NH2+]CC2)c1 ZINC001236400957 889227699 /nfs/dbraw/zinc/22/76/99/889227699.db2.gz JCJQNVWNAZIHEJ-PIIMJCKOSA-N 2 3 303.425 1.845 20 0 DDADHP Fc1cccc(C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CCNCC2)c1 ZINC001236400957 889227714 /nfs/dbraw/zinc/22/77/14/889227714.db2.gz JCJQNVWNAZIHEJ-PIIMJCKOSA-N 2 3 303.425 1.845 20 0 DDADHP Fc1cccc(C[N@@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CCNCC2)c1 ZINC001236400957 889227726 /nfs/dbraw/zinc/22/77/26/889227726.db2.gz JCJQNVWNAZIHEJ-PIIMJCKOSA-N 2 3 303.425 1.845 20 0 DDADHP O[C@]1(C[NH2+]CC2(c3ccccc3F)CC[NH2+]CC2)CCCNC1 ZINC001246005341 892323277 /nfs/dbraw/zinc/32/32/77/892323277.db2.gz GFFNBDWZVVWUPX-GOSISDBHSA-N 2 3 321.440 1.151 20 0 DDADHP O[C@]1(CNCC2(c3ccccc3F)CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246005341 892323298 /nfs/dbraw/zinc/32/32/98/892323298.db2.gz GFFNBDWZVVWUPX-GOSISDBHSA-N 2 3 321.440 1.151 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CCCC[NH2+]C3)C[C@H](C1)N2 ZINC001246111542 892421079 /nfs/dbraw/zinc/42/10/79/892421079.db2.gz PAIGBGAALAQKSO-WCMAUXFHSA-N 2 3 309.454 1.038 20 0 DDADHP CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246138000 892432925 /nfs/dbraw/zinc/43/29/25/892432925.db2.gz AAGSVNBYDIBSQO-INIZCTEOSA-N 2 3 308.514 1.713 20 0 DDADHP c1cc2n(c1)C[C@H](CC[NH2+][C@H]1CCNC3(CCC3)C1)C[NH2+]C2 ZINC001246140326 892436944 /nfs/dbraw/zinc/43/69/44/892436944.db2.gz NVOGZPDDBPMKRE-CVEARBPZSA-N 2 3 302.466 1.862 20 0 DDADHP CCOC(=O)C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246230057 892489473 /nfs/dbraw/zinc/48/94/73/892489473.db2.gz QVTQWEAMMDUMNE-FZKCQIBNSA-N 2 3 309.454 1.180 20 0 DDADHP [NH3+]C1(c2ccccc2)CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246439258 892627023 /nfs/dbraw/zinc/62/70/23/892627023.db2.gz WUJAQBIXGPANMS-MRXNPFEDSA-N 2 3 300.450 1.030 20 0 DDADHP CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246852060 892940640 /nfs/dbraw/zinc/94/06/40/892940640.db2.gz OREDKELCVSHBSZ-YESZJQIVSA-N 2 3 306.498 1.419 20 0 DDADHP CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246852060 892940644 /nfs/dbraw/zinc/94/06/44/892940644.db2.gz OREDKELCVSHBSZ-YESZJQIVSA-N 2 3 306.498 1.419 20 0 DDADHP [NH3+]CC1CN([C@@H]2CCCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246871909 892960729 /nfs/dbraw/zinc/96/07/29/892960729.db2.gz ORWXGMFRTRBIIX-ZWKOTPCHSA-N 2 3 320.525 1.796 20 0 DDADHP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010029 893078217 /nfs/dbraw/zinc/07/82/17/893078217.db2.gz UTEJINFIJMUEAD-HUUCEWRRSA-N 2 3 321.465 1.136 20 0 DDADHP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010029 893078239 /nfs/dbraw/zinc/07/82/39/893078239.db2.gz UTEJINFIJMUEAD-HUUCEWRRSA-N 2 3 321.465 1.136 20 0 DDADHP CCOC(=O)[C@H]1CN([C@@H]2CC[NH2+]C3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010029 893078262 /nfs/dbraw/zinc/07/82/62/893078262.db2.gz UTEJINFIJMUEAD-HUUCEWRRSA-N 2 3 321.465 1.136 20 0 DDADHP CN1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000423516296 283132377 /nfs/dbraw/zinc/13/23/77/283132377.db2.gz WKQHSAXCDQHWQT-KFPRQRBHSA-N 2 3 320.525 1.665 20 0 DDADHP CN1CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@@H]2CCC[C@H]21 ZINC000423516296 283132379 /nfs/dbraw/zinc/13/23/79/283132379.db2.gz WKQHSAXCDQHWQT-KFPRQRBHSA-N 2 3 320.525 1.665 20 0 DDADHP Cc1nc(NC[C@@H](C)C[NH+](C)C)cc(NC[C@H](C)C[NH+](C)C)n1 ZINC000567818415 304245780 /nfs/dbraw/zinc/24/57/80/304245780.db2.gz ILGPESOEOFLNHN-OKILXGFUSA-N 2 3 322.501 1.426 20 0 DDADHP CCN1CCN(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788173 423048561 /nfs/dbraw/zinc/04/85/61/423048561.db2.gz DINSJSNMRNEZAV-KZNAEPCWSA-N 2 3 308.514 1.382 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000665288992 424775145 /nfs/dbraw/zinc/77/51/45/424775145.db2.gz CMINRPWQWIMVLH-ZBFHGGJFSA-N 2 3 310.486 1.084 20 0 DDADHP CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422866883 529145009 /nfs/dbraw/zinc/14/50/09/529145009.db2.gz RBGIABHFXMEOGL-GBESFXJTSA-N 2 3 322.541 1.914 20 0 DDADHP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000903756632 711269935 /nfs/dbraw/zinc/26/99/35/711269935.db2.gz UQWBFSHEEVZGJU-QXCFHYIPSA-N 2 3 319.493 1.704 20 0 DDADHP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000903756632 711269938 /nfs/dbraw/zinc/26/99/38/711269938.db2.gz UQWBFSHEEVZGJU-QXCFHYIPSA-N 2 3 319.493 1.704 20 0 DDADHP [NH3+]C1CCN(CCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000925817887 714943151 /nfs/dbraw/zinc/94/31/51/714943151.db2.gz WYSHAZCNHRFZJP-ZWKOTPCHSA-N 2 3 302.466 1.492 20 0 DDADHP N[C@H](C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001158031985 864371258 /nfs/dbraw/zinc/37/12/58/864371258.db2.gz PLRFBIBDJMLATP-FUHWJXTLSA-N 2 3 322.497 1.086 20 0 DDADHP C[NH2+]CCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001343410087 872613406 /nfs/dbraw/zinc/61/34/06/872613406.db2.gz VORXLJQDGRMQOB-UHFFFAOYSA-N 2 3 310.486 1.051 20 0 DDADHP CN(C)CC[N@H+]1CC[C@H]2C[NH+](C[C@@H]3CCCN(C)C3)C[C@H]2CC1 ZINC001276497991 872643696 /nfs/dbraw/zinc/64/36/96/872643696.db2.gz RHVSFACFYWNCNI-QRVBRYPASA-N 2 3 322.541 1.534 20 0 DDADHP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3CCCN(C)C3)C[C@H]2CC1 ZINC001276497991 872643703 /nfs/dbraw/zinc/64/37/03/872643703.db2.gz RHVSFACFYWNCNI-QRVBRYPASA-N 2 3 322.541 1.534 20 0 DDADHP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3CCCN(C)C3)C[C@H]2CC1 ZINC001276497991 872643712 /nfs/dbraw/zinc/64/37/12/872643712.db2.gz RHVSFACFYWNCNI-QRVBRYPASA-N 2 3 322.541 1.534 20 0 DDADHP CN(C)CC[NH+]1CC[C@H]2C[N@H+](C[C@@H]3CCCN(C)C3)C[C@H]2CC1 ZINC001276497991 872643722 /nfs/dbraw/zinc/64/37/22/872643722.db2.gz RHVSFACFYWNCNI-QRVBRYPASA-N 2 3 322.541 1.534 20 0 DDADHP CN1CCC[C@@H](C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)C1 ZINC001276497991 872643734 /nfs/dbraw/zinc/64/37/34/872643734.db2.gz RHVSFACFYWNCNI-QRVBRYPASA-N 2 3 322.541 1.534 20 0 DDADHP CN1CCC[C@@H](C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)C1 ZINC001276497991 872643746 /nfs/dbraw/zinc/64/37/46/872643746.db2.gz RHVSFACFYWNCNI-QRVBRYPASA-N 2 3 322.541 1.534 20 0 DDADHP CC(C)CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187867 879556360 /nfs/dbraw/zinc/55/63/60/879556360.db2.gz ILFLKKDHYYFWAW-JYJNAYRXSA-N 2 3 310.486 1.068 20 0 DDADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)[C@H](C)C1 ZINC001221405511 879758974 /nfs/dbraw/zinc/75/89/74/879758974.db2.gz AKJYSVTWEYUZAZ-OAGGEKHMSA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)[C@H](C)C1 ZINC001221405511 879758982 /nfs/dbraw/zinc/75/89/82/879758982.db2.gz AKJYSVTWEYUZAZ-OAGGEKHMSA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)[C@H](C)C1 ZINC001221405511 879758992 /nfs/dbraw/zinc/75/89/92/879758992.db2.gz AKJYSVTWEYUZAZ-OAGGEKHMSA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)[C@H](C)C1 ZINC001221405511 879759000 /nfs/dbraw/zinc/75/90/00/879759000.db2.gz AKJYSVTWEYUZAZ-OAGGEKHMSA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)[C@H](C)C1 ZINC001221407725 879763132 /nfs/dbraw/zinc/76/31/32/879763132.db2.gz MCFUETDUOGGMTH-PMPSAXMXSA-N 2 3 312.502 1.281 20 0 DDADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)[C@H](C)C1 ZINC001221407725 879763145 /nfs/dbraw/zinc/76/31/45/879763145.db2.gz MCFUETDUOGGMTH-PMPSAXMXSA-N 2 3 312.502 1.281 20 0 DDADHP c1cc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)cc(CN2CC[NH2+]CC2)c1 ZINC001235941031 889025975 /nfs/dbraw/zinc/02/59/75/889025975.db2.gz UMIGSFPNAQOEQJ-MOPGFXCFSA-N 2 3 314.477 1.133 20 0 DDADHP c1ccc([C@@H]2C[C@@H](N[C@H]3COC4(C3)CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246186672 892470731 /nfs/dbraw/zinc/47/07/31/892470731.db2.gz YUDYRBBTNZLVRR-KSZLIROESA-N 2 3 315.461 1.980 20 0 DDADHP c1ccc([C@@H]2C[C@H]([NH2+]C3CN(C4CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246215235 892482714 /nfs/dbraw/zinc/48/27/14/892482714.db2.gz NLQYGBLAHGCDOR-APWZRJJASA-N 2 3 314.477 1.506 20 0 DDADHP F[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246222725 892487371 /nfs/dbraw/zinc/48/73/71/892487371.db2.gz NICYSAAKVDJPNB-BRSBDYLESA-N 2 3 305.441 1.887 20 0 DDADHP COc1ccccc1C1([NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNCC1 ZINC001246376104 892583060 /nfs/dbraw/zinc/58/30/60/892583060.db2.gz LLMGQZPDFSEPAQ-MUJYYYPQSA-N 2 3 315.461 1.862 20 0 DDADHP COc1ccc(C2(N[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC[NH2+]CC2)cc1 ZINC001246381689 892585793 /nfs/dbraw/zinc/58/57/93/892585793.db2.gz UEHQAHHEDXCGEQ-SCAQPMJSSA-N 2 3 315.461 1.862 20 0 DDADHP [NH3+]C1CCN(CC[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246407182 892608448 /nfs/dbraw/zinc/60/84/48/892608448.db2.gz XCBBNTAGNOFMTP-MOPGFXCFSA-N 2 3 316.493 1.362 20 0 DDADHP COc1ccccc1CC1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246420305 892615244 /nfs/dbraw/zinc/61/52/44/892615244.db2.gz LVTGWNHQYQVRKZ-UHFFFAOYSA-N 2 3 317.477 1.949 20 0 DDADHP c1ccc(C2(CN[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)nc1 ZINC001246428047 892619027 /nfs/dbraw/zinc/61/90/27/892619027.db2.gz OKGLJPXAVWWURQ-ZSHCYNCHSA-N 2 3 300.450 1.575 20 0 DDADHP C1C[NH2+]CC2(C1)CCC([N@@H+]1CCN[C@H]3CCNCC[C@@H]31)CC2 ZINC001246616878 892739964 /nfs/dbraw/zinc/73/99/64/892739964.db2.gz FZYMZZGMXKBTBA-SAGYGOJTSA-N 2 3 306.498 1.325 20 0 DDADHP C1C[NH2+]CC2(C1)CCC([N@H+]1CCN[C@H]3CCNCC[C@@H]31)CC2 ZINC001246616878 892739973 /nfs/dbraw/zinc/73/99/73/892739973.db2.gz FZYMZZGMXKBTBA-SAGYGOJTSA-N 2 3 306.498 1.325 20 0 DDADHP C1C[NH2+]CC2(C1)CCC(N1CCN[C@H]3CC[NH2+]CC[C@@H]31)CC2 ZINC001246616878 892739985 /nfs/dbraw/zinc/73/99/85/892739985.db2.gz FZYMZZGMXKBTBA-SAGYGOJTSA-N 2 3 306.498 1.325 20 0 DDADHP COCC[N@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CCCNC1 ZINC001246927043 892993727 /nfs/dbraw/zinc/99/37/27/892993727.db2.gz FLSYOUWCINPQON-QGZVFWFLSA-N 2 3 309.498 1.999 20 0 DDADHP COCC[N@@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CCCNC1 ZINC001246927043 892993735 /nfs/dbraw/zinc/99/37/35/892993735.db2.gz FLSYOUWCINPQON-QGZVFWFLSA-N 2 3 309.498 1.999 20 0 DDADHP CC(C)(C)N1CCC([NH2+]CCCOCCOCCC[NH3+])CC1 ZINC001256562021 897477174 /nfs/dbraw/zinc/47/71/74/897477174.db2.gz UAEUKDMLJYQUDF-UHFFFAOYSA-N 2 3 315.502 1.611 20 0 DDADHP CN1CC[NH+](CC2(C)CCN(C[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000262117341 407743435 /nfs/dbraw/zinc/74/34/35/407743435.db2.gz WYFHOFOJSBFDHJ-SFHVURJKSA-N 2 3 308.514 1.336 20 0 DDADHP C[NH+](C)CCOCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423067688 227334674 /nfs/dbraw/zinc/33/46/74/227334674.db2.gz HVGDXILGNHUXRT-AEFFLSMTSA-N 2 3 319.449 1.410 20 0 DDADHP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423209079 419987396 /nfs/dbraw/zinc/98/73/96/419987396.db2.gz UODAMHYCWXKHMT-MJGOQNOKSA-N 2 3 316.493 1.392 20 0 DDADHP C[C@@H](NCCN1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423209079 419987400 /nfs/dbraw/zinc/98/74/00/419987400.db2.gz UODAMHYCWXKHMT-MJGOQNOKSA-N 2 3 316.493 1.392 20 0 DDADHP C[C@@H](NCCN1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423209079 419987402 /nfs/dbraw/zinc/98/74/02/419987402.db2.gz UODAMHYCWXKHMT-MJGOQNOKSA-N 2 3 316.493 1.392 20 0 DDADHP C[NH2+]CCOCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629531592 422712098 /nfs/dbraw/zinc/71/20/98/422712098.db2.gz QFDHNZVXHDVWHU-DOTOQJQBSA-N 2 3 305.422 1.068 20 0 DDADHP C[C@@]12CN([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000923420374 714350653 /nfs/dbraw/zinc/35/06/53/714350653.db2.gz JZBXWPSFLMJTLD-VPAKFMSCSA-N 2 3 315.461 1.291 20 0 DDADHP C[C@@]12CN([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000923420374 714350655 /nfs/dbraw/zinc/35/06/55/714350655.db2.gz JZBXWPSFLMJTLD-VPAKFMSCSA-N 2 3 315.461 1.291 20 0 DDADHP CN(CC[NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977108 776565500 /nfs/dbraw/zinc/56/55/00/776565500.db2.gz XIRQXENTZCYJMC-GOSISDBHSA-N 2 3 318.509 1.910 20 0 DDADHP CN(CC[NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977108 776565509 /nfs/dbraw/zinc/56/55/09/776565509.db2.gz XIRQXENTZCYJMC-GOSISDBHSA-N 2 3 318.509 1.910 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161594978 866796395 /nfs/dbraw/zinc/79/63/95/866796395.db2.gz IVSBXHRQFGDAAV-INIZCTEOSA-N 2 3 316.449 1.064 20 0 DDADHP [NH3+]CCC1CCN(Cc2ccc(N3CC[NH2+]CC3)nc2)CC1 ZINC001206506459 872390802 /nfs/dbraw/zinc/39/08/02/872390802.db2.gz BEFVZHRNNREPPM-UHFFFAOYSA-N 2 3 303.454 1.052 20 0 DDADHP N[C@@H](C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1)C1CC[NH2+]CC1 ZINC001218996073 877863707 /nfs/dbraw/zinc/86/37/07/877863707.db2.gz HJWBCAXJUZWARW-GOEBONIOSA-N 2 3 302.422 1.029 20 0 DDADHP N[C@@H](CCC[NH3+])C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221031886 879458432 /nfs/dbraw/zinc/45/84/32/879458432.db2.gz VDBFQXYSWHAWMG-JKSUJKDBSA-N 2 3 322.428 1.049 20 0 DDADHP c1cc2n(c1C[NH+]1CCC([C@H]3CCCC[NH2+]3)CC1)CCNC2 ZINC001235229637 888493844 /nfs/dbraw/zinc/49/38/44/888493844.db2.gz RTHBMBAYPSNUPH-GOSISDBHSA-N 2 3 302.466 1.945 20 0 DDADHP c1cc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001235934519 889023271 /nfs/dbraw/zinc/02/32/71/889023271.db2.gz BJDXSXOINHGDEF-IRXDYDNUSA-N 2 3 300.450 1.138 20 0 DDADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245972490 892293288 /nfs/dbraw/zinc/29/32/88/892293288.db2.gz IMLNUOGIQZHGNB-XUWVNRHRSA-N 2 3 313.392 1.055 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+][C@H]3CC[NH2+]CC[C@@H]3C)C[C@H](C1)N2 ZINC001246099366 892415232 /nfs/dbraw/zinc/41/52/32/892415232.db2.gz WVJQUFJWCKUUGX-KKKMWLMNSA-N 2 3 309.454 1.036 20 0 DDADHP C[NH+]1CCC[C@@H]1CCN1CCCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000348077900 283357330 /nfs/dbraw/zinc/35/73/30/283357330.db2.gz RDGDDMXIDSZBMH-RTBURBONSA-N 2 3 322.541 1.963 20 0 DDADHP C[NH+]1CCC[C@@H]1CCN1CCCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000348077900 283357337 /nfs/dbraw/zinc/35/73/37/283357337.db2.gz RDGDDMXIDSZBMH-RTBURBONSA-N 2 3 322.541 1.963 20 0 DDADHP C[C@@H]1C[N@@H+](CC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000346860000 410202139 /nfs/dbraw/zinc/20/21/39/410202139.db2.gz ZVEJSQYEFMMRRB-SOLBZPMBSA-N 2 3 309.498 1.807 20 0 DDADHP C[C@@H]1C[N@H+](CC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000346860000 410202144 /nfs/dbraw/zinc/20/21/44/410202144.db2.gz ZVEJSQYEFMMRRB-SOLBZPMBSA-N 2 3 309.498 1.807 20 0 DDADHP C[C@@H]1C[N@@H+](CC2CCN(C[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000346859998 410202570 /nfs/dbraw/zinc/20/25/70/410202570.db2.gz ZVEJSQYEFMMRRB-JZXOWHBKSA-N 2 3 309.498 1.807 20 0 DDADHP C[C@@H]1C[N@H+](CC2CCN(C[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000346859998 410202575 /nfs/dbraw/zinc/20/25/75/410202575.db2.gz ZVEJSQYEFMMRRB-JZXOWHBKSA-N 2 3 309.498 1.807 20 0 DDADHP C[C@H]1CCNC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422851963 227220017 /nfs/dbraw/zinc/22/00/17/227220017.db2.gz XNZMMBGUBOKTII-WMZOPIPTSA-N 2 3 317.481 1.181 20 0 DDADHP CC(C)[NH+]1CCC(NC(=O)CN(C)CCCCCC[NH3+])CC1 ZINC000872155038 707307185 /nfs/dbraw/zinc/30/71/85/707307185.db2.gz AGQWMNQJZNHHHP-UHFFFAOYSA-N 2 3 312.502 1.426 20 0 DDADHP C[C@@H]1[NH2+]CCC[C@H]1NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000925512576 714877421 /nfs/dbraw/zinc/87/74/21/714877421.db2.gz DBRVJXWOKIVJRP-DLBZAZTESA-N 2 3 308.514 1.667 20 0 DDADHP CCN([C@H]1CCOC1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207398736 873233098 /nfs/dbraw/zinc/23/30/98/873233098.db2.gz LRTUBGUHLPHMIW-SFHVURJKSA-N 2 3 309.498 1.903 20 0 DDADHP N[C@@H](CCC[NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941356 878610234 /nfs/dbraw/zinc/61/02/34/878610234.db2.gz VXBGSKGESUWSNF-SJORKVTESA-N 2 3 318.465 1.081 20 0 DDADHP N[C@@H](CCC[NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941356 878610242 /nfs/dbraw/zinc/61/02/42/878610242.db2.gz VXBGSKGESUWSNF-SJORKVTESA-N 2 3 318.465 1.081 20 0 DDADHP [NH3+]CC1CN([C@@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)C1 ZINC001236079539 889099245 /nfs/dbraw/zinc/09/92/45/889099245.db2.gz NYULEYSFCNAUTG-OAHLLOKOSA-N 2 3 320.506 1.249 20 0 DDADHP O[C@@]1(CNCC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245995539 892311697 /nfs/dbraw/zinc/31/16/97/892311697.db2.gz IRBYBVKTBUJBNG-SFHVURJKSA-N 2 3 321.440 1.052 20 0 DDADHP CC[C@@H]1CC(N2CCC(N3CC[C@H]([NH3+])C3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246969177 893031124 /nfs/dbraw/zinc/03/11/24/893031124.db2.gz UXBDWMRTMWXICN-ARFHVFGLSA-N 2 3 308.514 1.793 20 0 DDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000568248243 304280307 /nfs/dbraw/zinc/28/03/07/304280307.db2.gz LLELEWYCNSAORY-KURKYZTESA-N 2 3 303.450 1.613 20 0 DDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000568248243 304280308 /nfs/dbraw/zinc/28/03/08/304280308.db2.gz LLELEWYCNSAORY-KURKYZTESA-N 2 3 303.450 1.613 20 0 DDADHP COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC[NH2+]CC1 ZINC000423397426 292247713 /nfs/dbraw/zinc/24/77/13/292247713.db2.gz CGSJVWZNSHPYMO-GVDBMIGSSA-N 2 3 309.498 1.903 20 0 DDADHP CC[NH+](C)C[C@@H]1CCN(CCCN2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000245451920 407985914 /nfs/dbraw/zinc/98/59/14/407985914.db2.gz PXUVYGYUMSSMCG-OALUTQOASA-N 2 3 324.557 1.924 20 0 DDADHP CC[NH+](C)C[C@@H]1CCN(CCCN2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000245451920 407985923 /nfs/dbraw/zinc/98/59/23/407985923.db2.gz PXUVYGYUMSSMCG-OALUTQOASA-N 2 3 324.557 1.924 20 0 DDADHP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)NCCN(C)C ZINC000647793905 423050152 /nfs/dbraw/zinc/05/01/52/423050152.db2.gz LQVUPETXUCRNKL-HZMVEIRTSA-N 2 3 324.513 1.057 20 0 DDADHP CCOC(=O)C1([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH2+]CC1 ZINC000422900962 419973787 /nfs/dbraw/zinc/97/37/87/419973787.db2.gz RERHIABJGPBSIM-JYJNAYRXSA-N 2 3 323.481 1.524 20 0 DDADHP CCOC(=O)C1([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]CC1 ZINC000422900962 419973794 /nfs/dbraw/zinc/97/37/94/419973794.db2.gz RERHIABJGPBSIM-JYJNAYRXSA-N 2 3 323.481 1.524 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)CC[NH2+]CC1 ZINC000423269317 419998788 /nfs/dbraw/zinc/99/87/88/419998788.db2.gz FJZIFHNNEQWKNG-SOUVJXGZSA-N 2 3 311.470 1.415 20 0 DDADHP CNC[C@@](C)(O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000566567474 308057340 /nfs/dbraw/zinc/05/73/40/308057340.db2.gz QQFAUJPCSKWODR-LJQANCHMSA-N 2 3 319.493 1.801 20 0 DDADHP CNC[C@@](C)(O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000566567474 308057341 /nfs/dbraw/zinc/05/73/41/308057341.db2.gz QQFAUJPCSKWODR-LJQANCHMSA-N 2 3 319.493 1.801 20 0 DDADHP CC[NH+](CC)CCOCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459493030 528143663 /nfs/dbraw/zinc/14/36/63/528143663.db2.gz XOAPEEIUXIXINH-UHFFFAOYSA-N 2 3 320.481 1.998 20 0 DDADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903751543 711267505 /nfs/dbraw/zinc/26/75/05/711267505.db2.gz KKLKONDPFAAHJL-IXDOHACOSA-N 2 3 307.482 1.609 20 0 DDADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903785048 711279816 /nfs/dbraw/zinc/27/98/16/711279816.db2.gz VEAFSXUQPMRUTA-WMZOPIPTSA-N 2 3 307.482 1.611 20 0 DDADHP C[C@H]([NH3+])[C@H](Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1 ZINC000925722903 714921636 /nfs/dbraw/zinc/92/16/36/714921636.db2.gz PDZUIPDFJZHXIW-KSSFIOAISA-N 2 3 311.433 1.992 20 0 DDADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001161488942 866706622 /nfs/dbraw/zinc/70/66/22/866706622.db2.gz INAQRSZWZODMPL-MAUKXSAKSA-N 2 3 322.497 1.038 20 0 DDADHP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220384149 878969772 /nfs/dbraw/zinc/96/97/72/878969772.db2.gz KZJYDYKJFHEXSG-DOTOQJQBSA-N 2 3 316.449 1.449 20 0 DDADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001245972492 892292046 /nfs/dbraw/zinc/29/20/46/892292046.db2.gz IMLNUOGIQZHGNB-YHUYYLMFSA-N 2 3 313.392 1.055 20 0 DDADHP O[C@@]1(C[NH2+]CC2(c3cccc(F)c3)CC[NH2+]CC2)CCCNC1 ZINC001245994027 892312826 /nfs/dbraw/zinc/31/28/26/892312826.db2.gz AYEGRUAQJKTMIN-SFHVURJKSA-N 2 3 321.440 1.151 20 0 DDADHP O[C@@]1(CNCC2(c3cccc(F)c3)CC[NH2+]CC2)CCC[NH2+]C1 ZINC001245994027 892312837 /nfs/dbraw/zinc/31/28/37/892312837.db2.gz AYEGRUAQJKTMIN-SFHVURJKSA-N 2 3 321.440 1.151 20 0 DDADHP O[C@]1(C[NH2+][C@H](CC2CC[NH2+]CC2)c2ccccc2)CCCNC1 ZINC001245998817 892317963 /nfs/dbraw/zinc/31/79/63/892317963.db2.gz JECPXTAYJJWFGH-RTBURBONSA-N 2 3 317.477 1.822 20 0 DDADHP C[C@H]1CC[C@@H](C[NH3+])N1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001246016599 892335147 /nfs/dbraw/zinc/33/51/47/892335147.db2.gz MBKCXUWTAMBLOK-WMZOPIPTSA-N 2 3 317.477 1.825 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)C[C@@]2(O)CCCNC2)CC1 ZINC001246065638 892397905 /nfs/dbraw/zinc/39/79/05/892397905.db2.gz IGLYGHIOTWSETQ-KBAYOESNSA-N 2 3 318.465 1.268 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C[C@@]2(O)CCCNC2)CC1 ZINC001246065638 892397921 /nfs/dbraw/zinc/39/79/21/892397921.db2.gz IGLYGHIOTWSETQ-KBAYOESNSA-N 2 3 318.465 1.268 20 0 DDADHP COC(=O)C1(CN[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC[NH2+]CC1 ZINC001246091832 892411124 /nfs/dbraw/zinc/41/11/24/892411124.db2.gz APKNNZGOSPVSHF-KBPBESRZSA-N 2 3 311.470 1.286 20 0 DDADHP C(C[C@H]1CCOC12CC[NH2+]CC2)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246143121 892438463 /nfs/dbraw/zinc/43/84/63/892438463.db2.gz TUEKPVHTXWMDOT-NXOAAHMSSA-N 2 3 307.482 1.798 20 0 DDADHP Cc1cc(F)ccc1[C@@H]1C[C@@H](NCCO[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246368623 892575619 /nfs/dbraw/zinc/57/56/19/892575619.db2.gz ONPDVBTXJFAZTL-JZXOWHBKSA-N 2 3 321.440 1.895 20 0 DDADHP C[C@H]1C[C@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246421209 892617691 /nfs/dbraw/zinc/61/76/91/892617691.db2.gz MMRHDDUYQBOVHG-DOTOQJQBSA-N 2 3 302.466 1.724 20 0 DDADHP CC[C@@H]1CC(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246876008 892963813 /nfs/dbraw/zinc/96/38/13/892963813.db2.gz XFBSHXRYXYHQMA-BRWVUGGUSA-N 2 3 308.514 1.651 20 0 DDADHP CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(c2cc[nH+]cc2)CC1 ZINC001253408580 895832976 /nfs/dbraw/zinc/83/29/76/895832976.db2.gz FMRNOBOTCYAWKX-INIZCTEOSA-N 2 3 306.454 1.389 20 0 DDADHP CN(CCC[NH+]1CCCCC1)CCN(C)C1CC[NH+](C)CC1 ZINC000162115144 408672319 /nfs/dbraw/zinc/67/23/19/408672319.db2.gz SAZSFWCPFMYFIN-UHFFFAOYSA-N 2 3 310.530 1.820 20 0 DDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422828439 227202735 /nfs/dbraw/zinc/20/27/35/227202735.db2.gz AZLGRTFTZVMETJ-HUUCEWRRSA-N 2 3 305.466 1.859 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423035209 227321491 /nfs/dbraw/zinc/32/14/91/227321491.db2.gz RCUSQIOPAMKCIY-IPELMVKDSA-N 2 3 317.477 1.860 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423035209 227321496 /nfs/dbraw/zinc/32/14/96/227321496.db2.gz RCUSQIOPAMKCIY-IPELMVKDSA-N 2 3 317.477 1.860 20 0 DDADHP CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422866888 279357494 /nfs/dbraw/zinc/35/74/94/279357494.db2.gz RBGIABHFXMEOGL-IPMKNSEASA-N 2 3 322.541 1.914 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)CC2)CC1 ZINC000876740425 705851624 /nfs/dbraw/zinc/85/16/24/705851624.db2.gz DEBNCQWGBBQBSA-CVEARBPZSA-N 2 3 322.497 1.035 20 0 DDADHP C[NH+](C)CC[C@H](N[C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2)c1cccnc1 ZINC000925827087 714945218 /nfs/dbraw/zinc/94/52/18/714945218.db2.gz KWHYZVYJULQJQP-OBVSXPTNSA-N 2 3 318.465 1.416 20 0 DDADHP CN(C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058072 866332886 /nfs/dbraw/zinc/33/28/86/866332886.db2.gz MPTOIXVQPCCWJV-OIISXLGYSA-N 2 3 322.497 1.179 20 0 DDADHP C[C@H]1CC[C@@H](CN)[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001205818997 871834364 /nfs/dbraw/zinc/83/43/64/871834364.db2.gz VZOBOGFIHRZCAB-LPHOPBHVSA-N 2 3 316.493 1.651 20 0 DDADHP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001205818997 871834382 /nfs/dbraw/zinc/83/43/82/871834382.db2.gz VZOBOGFIHRZCAB-LPHOPBHVSA-N 2 3 316.493 1.651 20 0 DDADHP CCN(Cc1cccc(N2CC[NH2+]CC2)c1)C[C@H]1CC[NH2+]C1 ZINC001236408804 889225727 /nfs/dbraw/zinc/22/57/27/889225727.db2.gz NUCLMRVWBJSZPJ-KRWDZBQOSA-N 2 3 302.466 1.528 20 0 DDADHP CC[C@H](N)C[N@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001246059386 892389362 /nfs/dbraw/zinc/38/93/62/892389362.db2.gz PKRJOFIYYNLNHN-KRWDZBQOSA-N 2 3 305.466 1.683 20 0 DDADHP CC[C@H](N)C[N@@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001246059386 892389377 /nfs/dbraw/zinc/38/93/77/892389377.db2.gz PKRJOFIYYNLNHN-KRWDZBQOSA-N 2 3 305.466 1.683 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246250026 892500357 /nfs/dbraw/zinc/50/03/57/892500357.db2.gz SNGQNXKRKRDPEU-OAGGEKHMSA-N 2 3 309.498 1.901 20 0 DDADHP C(C1CCCCC1)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246351534 892560468 /nfs/dbraw/zinc/56/04/68/892560468.db2.gz NRJSIWFRAKMVSA-GOSISDBHSA-N 2 3 320.525 1.715 20 0 DDADHP CC(C)[C@@H]1C[C@H](N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CC[NH2+]1 ZINC001246492927 892656521 /nfs/dbraw/zinc/65/65/21/892656521.db2.gz FICJQGGBCJGPLN-AEFFLSMTSA-N 2 3 304.482 1.805 20 0 DDADHP CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246852057 892940807 /nfs/dbraw/zinc/94/08/07/892940807.db2.gz OREDKELCVSHBSZ-BBWFWOEESA-N 2 3 306.498 1.419 20 0 DDADHP CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246852057 892940815 /nfs/dbraw/zinc/94/08/15/892940815.db2.gz OREDKELCVSHBSZ-BBWFWOEESA-N 2 3 306.498 1.419 20 0 DDADHP CC(C)CN1CCC([NH2+]C[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])CC1 ZINC001258006851 898010504 /nfs/dbraw/zinc/01/05/04/898010504.db2.gz MKIBFQRDPWUAGQ-BRWVUGGUSA-N 2 3 313.486 1.421 20 0 DDADHP N[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc21 ZINC000333778902 249103760 /nfs/dbraw/zinc/10/37/60/249103760.db2.gz DKFFLLHRGMLKTQ-BURPLHJFSA-N 2 3 314.477 1.937 20 0 DDADHP [NH3+][C@@H]1C[C@H](NCCCC[N@@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000422977413 227291376 /nfs/dbraw/zinc/29/13/76/227291376.db2.gz KBDWKMYZIXMWOQ-QGTPRVQTSA-N 2 3 303.450 1.958 20 0 DDADHP [NH3+][C@@H]1C[C@H](NCCCC[N@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000422977413 227291379 /nfs/dbraw/zinc/29/13/79/227291379.db2.gz KBDWKMYZIXMWOQ-QGTPRVQTSA-N 2 3 303.450 1.958 20 0 DDADHP C[C@H](CCC[NH3+])[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397485399 302355009 /nfs/dbraw/zinc/35/50/09/302355009.db2.gz BBWFGDSTXVBEFO-MRXNPFEDSA-N 2 3 305.466 1.731 20 0 DDADHP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000583028609 337230832 /nfs/dbraw/zinc/23/08/32/337230832.db2.gz SIVWRJFEQBCAKL-KURKYZTESA-N 2 3 308.514 1.476 20 0 DDADHP CCOC(=O)C1([C@@H](C)[NH2+]CC2=CCN(C)CC2)CC[NH2+]CC1 ZINC000423019411 528607145 /nfs/dbraw/zinc/60/71/45/528607145.db2.gz VNCNLCSMWBZTMF-CQSZACIVSA-N 2 3 309.454 1.159 20 0 DDADHP C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925727893 714922787 /nfs/dbraw/zinc/92/27/87/714922787.db2.gz BMRXLSPDANXVKY-FGTMMUONSA-N 2 3 321.509 1.903 20 0 DDADHP C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925727893 714922790 /nfs/dbraw/zinc/92/27/90/714922790.db2.gz BMRXLSPDANXVKY-FGTMMUONSA-N 2 3 321.509 1.903 20 0 DDADHP C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001205902190 871911922 /nfs/dbraw/zinc/91/19/22/871911922.db2.gz IJNBBSGVVXQYJI-NVXWUHKLSA-N 2 3 302.466 1.655 20 0 DDADHP C[C@H]1[C@H](C[NH3+])CCCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001205902191 871913727 /nfs/dbraw/zinc/91/37/27/871913727.db2.gz IJNBBSGVVXQYJI-RDJZCZTQSA-N 2 3 302.466 1.655 20 0 DDADHP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H](N)CCCC[NH3+] ZINC001220384394 878968775 /nfs/dbraw/zinc/96/87/75/878968775.db2.gz RWJHEBYJYHDKIW-GJZGRUSLSA-N 2 3 304.438 1.578 20 0 DDADHP C[C@H](CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)CC(C)(C)CC[NH3+] ZINC001220763456 879238093 /nfs/dbraw/zinc/23/80/93/879238093.db2.gz CPCACTUITAKHEQ-GJZGRUSLSA-N 2 3 324.513 1.378 20 0 DDADHP C[C@H](CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)CC(C)(C)CC[NH3+] ZINC001220763456 879238102 /nfs/dbraw/zinc/23/81/02/879238102.db2.gz CPCACTUITAKHEQ-GJZGRUSLSA-N 2 3 324.513 1.378 20 0 DDADHP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCc1c[nH]c2ccncc12 ZINC001220865595 879326295 /nfs/dbraw/zinc/32/62/95/879326295.db2.gz COUBBQOIKYGJFQ-HNNXBMFYSA-N 2 3 317.437 1.281 20 0 DDADHP [NH3+]CC1CN([C@@H]2CCCN(Cc3cc4c(s3)C[NH2+]CC4)C2)C1 ZINC001236079258 889097691 /nfs/dbraw/zinc/09/76/91/889097691.db2.gz NBVAMESPJIAYNO-OAHLLOKOSA-N 2 3 320.506 1.249 20 0 DDADHP NC1(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC001245974604 892294229 /nfs/dbraw/zinc/29/42/29/892294229.db2.gz MHCLBFJZQLYMJG-UHFFFAOYSA-N 2 3 317.477 1.875 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001246027841 892356963 /nfs/dbraw/zinc/35/69/63/892356963.db2.gz YNTMDPWFZXBHGD-ZWKOTPCHSA-N 2 3 317.477 1.383 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@@H]3CC4(C[NH2+]C4)CO3)CCN2)cc1 ZINC001246135802 892430445 /nfs/dbraw/zinc/43/04/45/892430445.db2.gz ZIKFQCZEMCIXHB-KURKYZTESA-N 2 3 315.461 1.318 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H](NCCO[C@@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246367902 892576200 /nfs/dbraw/zinc/57/62/00/892576200.db2.gz NFICMDSGPGEUJT-RCCFBDPRSA-N 2 3 303.450 1.318 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]CCO[C@@H]3CC[NH2+]C3)CCN2)cc1 ZINC001246367902 892576207 /nfs/dbraw/zinc/57/62/07/892576207.db2.gz NFICMDSGPGEUJT-RCCFBDPRSA-N 2 3 303.450 1.318 20 0 DDADHP C1CC2(C1)C[C@H](N1CCC(OC3CC[NH2+]CC3)CC1)CC[NH2+]2 ZINC001246658033 892771408 /nfs/dbraw/zinc/77/14/08/892771408.db2.gz BRTHJOBTTHLPPA-OAHLLOKOSA-N 2 3 307.482 1.894 20 0 DDADHP C1CC2(C1)C[C@H]([NH+]1CCC(OC3CC[NH2+]CC3)CC1)CCN2 ZINC001246658033 892771417 /nfs/dbraw/zinc/77/14/17/892771417.db2.gz BRTHJOBTTHLPPA-OAHLLOKOSA-N 2 3 307.482 1.894 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000635007670 422763749 /nfs/dbraw/zinc/76/37/49/422763749.db2.gz GBDHSCAXUGMOAN-HUUCEWRRSA-N 2 3 301.438 1.530 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000635007670 422763756 /nfs/dbraw/zinc/76/37/56/422763756.db2.gz GBDHSCAXUGMOAN-HUUCEWRRSA-N 2 3 301.438 1.530 20 0 DDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422719197 533554931 /nfs/dbraw/zinc/55/49/31/533554931.db2.gz XVXGSQYMEGQWRZ-INIZCTEOSA-N 2 3 304.482 1.651 20 0 DDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000665240047 424763231 /nfs/dbraw/zinc/76/32/31/424763231.db2.gz BOFKJFDPCZEOTH-KURKYZTESA-N 2 3 303.450 1.613 20 0 DDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000665240047 424763234 /nfs/dbraw/zinc/76/32/34/424763234.db2.gz BOFKJFDPCZEOTH-KURKYZTESA-N 2 3 303.450 1.613 20 0 DDADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCCCN2)CC[NH2+]CC1 ZINC000902483583 710768420 /nfs/dbraw/zinc/76/84/20/710768420.db2.gz RXVOAOLWCWSXKE-CABCVRRESA-N 2 3 311.470 1.430 20 0 DDADHP CN1CCC(CN[C@@H]2CC[NH2+]C2(C)C)([NH+]2CCCCC2)CC1 ZINC000925515524 714878314 /nfs/dbraw/zinc/87/83/14/714878314.db2.gz UDGUWLDZFUXHIY-MRXNPFEDSA-N 2 3 308.514 1.667 20 0 DDADHP C[NH+]1C(C)(C)CC(N2CCN(CCCC[NH3+])CC2)CC1(C)C ZINC001171629647 776354165 /nfs/dbraw/zinc/35/41/65/776354165.db2.gz ANONTPHWIYFEMA-UHFFFAOYSA-N 2 3 310.530 1.994 20 0 DDADHP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235810885 888965945 /nfs/dbraw/zinc/96/59/45/888965945.db2.gz OUCVZZYRLTUIGG-VBUUOAMHSA-N 2 3 300.450 1.550 20 0 DDADHP O[C@]1(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)CCCNC1 ZINC001246029067 892360908 /nfs/dbraw/zinc/36/09/08/892360908.db2.gz VEDXYGRXMJMATA-LJQANCHMSA-N 2 3 315.461 1.238 20 0 DDADHP CCCC[C@@H]1C[C@H](NCC2(C(=O)OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001246099922 892415608 /nfs/dbraw/zinc/41/56/08/892415608.db2.gz ZCERCCZUVHJHRA-HUUCEWRRSA-N 2 3 311.470 1.430 20 0 DDADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246133119 892427801 /nfs/dbraw/zinc/42/78/01/892427801.db2.gz OEAQHODLIBEVPC-HZPDHXFCSA-N 2 3 307.482 1.942 20 0 DDADHP CC(C)C[NH+]1CCC(NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246138046 892432754 /nfs/dbraw/zinc/43/27/54/892432754.db2.gz ADPOOSCJFXOECK-QGZVFWFLSA-N 2 3 308.514 1.571 20 0 DDADHP COC(=O)CC1([NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCNCC1 ZINC001246367880 892575908 /nfs/dbraw/zinc/57/59/08/892575908.db2.gz VLMFXCXRVPCWGY-UHFFFAOYSA-N 2 3 323.481 1.574 20 0 DDADHP C(C1CC1)C1([NH2+]C2CCC3(CC2)C[NH2+]CCO3)CCNCC1 ZINC001246382584 892587058 /nfs/dbraw/zinc/58/70/58/892587058.db2.gz YPPSBYZIZASWLJ-UHFFFAOYSA-N 2 3 307.482 1.800 20 0 DDADHP CC[C@@H]1C[C@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246973020 893039297 /nfs/dbraw/zinc/03/92/97/893039297.db2.gz DXTWDWDGBFSGIM-XDNAFOTISA-N 2 3 308.514 1.793 20 0 DDADHP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010028 893076691 /nfs/dbraw/zinc/07/66/91/893076691.db2.gz UTEJINFIJMUEAD-GJZGRUSLSA-N 2 3 321.465 1.136 20 0 DDADHP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010028 893076714 /nfs/dbraw/zinc/07/67/14/893076714.db2.gz UTEJINFIJMUEAD-GJZGRUSLSA-N 2 3 321.465 1.136 20 0 DDADHP CCOC(=O)[C@@H]1CN([C@H]2CC[NH2+]C3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010028 893076735 /nfs/dbraw/zinc/07/67/35/893076735.db2.gz UTEJINFIJMUEAD-GJZGRUSLSA-N 2 3 321.465 1.136 20 0 DDADHP [NH3+]CCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255126526 896747280 /nfs/dbraw/zinc/74/72/80/896747280.db2.gz NNYIHDQUSVQPAJ-BCDXTJNWSA-N 2 3 303.450 1.747 20 0 DDADHP [NH3+]CCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255126526 896747297 /nfs/dbraw/zinc/74/72/97/896747297.db2.gz NNYIHDQUSVQPAJ-BCDXTJNWSA-N 2 3 303.450 1.747 20 0 DDADHP c1ccc(CC[NH+]2CCC(NCCN3CC[NH2+]CC3)CC2)cc1 ZINC000414861098 419844490 /nfs/dbraw/zinc/84/44/90/419844490.db2.gz DYNCNHBHGLMBQB-UHFFFAOYSA-N 2 3 316.493 1.188 20 0 DDADHP CC(C)N1CCN(C2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000414709868 279509647 /nfs/dbraw/zinc/50/96/47/279509647.db2.gz QPBKKXDVRLMJKK-ROUUACIJSA-N 2 3 322.541 1.865 20 0 DDADHP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000422739257 289152866 /nfs/dbraw/zinc/15/28/66/289152866.db2.gz KXAXOIGAGDEYOK-OALUTQOASA-N 2 3 316.493 1.994 20 0 DDADHP CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422858533 529144795 /nfs/dbraw/zinc/14/47/95/529144795.db2.gz IYNPCYLDFGGKBW-KSZLIROESA-N 2 3 308.514 1.524 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCCCN2)CC[NH2+]CC1 ZINC000902483584 710768445 /nfs/dbraw/zinc/76/84/45/710768445.db2.gz RXVOAOLWCWSXKE-GJZGRUSLSA-N 2 3 311.470 1.430 20 0 DDADHP [NH3+]C1CCN(CCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000925817785 714943251 /nfs/dbraw/zinc/94/32/51/714943251.db2.gz WYSHAZCNHRFZJP-QZTJIDSGSA-N 2 3 302.466 1.492 20 0 DDADHP CC(C)[PH+](CCNC(=O)[C@@H](N)CSCC[NH3+])C(C)C ZINC001221254820 879621091 /nfs/dbraw/zinc/62/10/91/879621091.db2.gz VPIUTSAOTICNQW-LBPRGKRZSA-N 2 3 307.444 1.421 20 0 DDADHP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001221402886 879755787 /nfs/dbraw/zinc/75/57/87/879755787.db2.gz NHJNUJTWVCXORH-GPANFISMSA-N 2 3 322.497 1.097 20 0 DDADHP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001221402886 879755797 /nfs/dbraw/zinc/75/57/97/879755797.db2.gz NHJNUJTWVCXORH-GPANFISMSA-N 2 3 322.497 1.097 20 0 DDADHP C(N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246180777 892468273 /nfs/dbraw/zinc/46/82/73/892468273.db2.gz PJZAGELUIXKJLS-YYIAUSFCSA-N 2 3 307.482 1.798 20 0 DDADHP C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246180777 892468278 /nfs/dbraw/zinc/46/82/78/892468278.db2.gz PJZAGELUIXKJLS-YYIAUSFCSA-N 2 3 307.482 1.798 20 0 DDADHP CCOC(=O)C1(CN[C@H]2CC[NH2+][C@@H](C(C)C)C2)CC[NH2+]CC1 ZINC001246319219 892537431 /nfs/dbraw/zinc/53/74/31/892537431.db2.gz NNROKSRTHLVHNN-LSDHHAIUSA-N 2 3 311.470 1.286 20 0 DDADHP c1cncc(CC2([NH2+]C3CCC4(C[NH2+]C4)CC3)CCNCC2)c1 ZINC001246419096 892614204 /nfs/dbraw/zinc/61/42/04/892614204.db2.gz DWQCJFAYAPGNAP-UHFFFAOYSA-N 2 3 314.477 1.868 20 0 DDADHP c1cncc(CC2([NH2+][C@H]3CCC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246423340 892617492 /nfs/dbraw/zinc/61/74/92/892617492.db2.gz YYXGMMRAWZYWSY-INIZCTEOSA-N 2 3 300.450 1.478 20 0 DDADHP c1cncc(C2(CN[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246424421 892617538 /nfs/dbraw/zinc/61/75/38/892617538.db2.gz UWDZJVIQVOXYCT-BJWYYQGGSA-N 2 3 300.450 1.575 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422815843 227193297 /nfs/dbraw/zinc/19/32/97/227193297.db2.gz CQZNBDYIVFRFNY-CEXWTWQISA-N 2 3 322.541 1.913 20 0 DDADHP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000422983497 227296593 /nfs/dbraw/zinc/29/65/93/227296593.db2.gz ZSOBUKYPGSALGJ-FGTMMUONSA-N 2 3 309.498 1.591 20 0 DDADHP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000629529942 422713446 /nfs/dbraw/zinc/71/34/46/422713446.db2.gz QYZYMHGWZTYUIU-FUHWJXTLSA-N 2 3 305.466 1.723 20 0 DDADHP C[NH2+]CCOCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629529942 422713451 /nfs/dbraw/zinc/71/34/51/422713451.db2.gz QYZYMHGWZTYUIU-FUHWJXTLSA-N 2 3 305.466 1.723 20 0 DDADHP C[NH2+]CCOCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629529942 422713454 /nfs/dbraw/zinc/71/34/54/422713454.db2.gz QYZYMHGWZTYUIU-FUHWJXTLSA-N 2 3 305.466 1.723 20 0 DDADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CC12CC[NH2+]CC2 ZINC000643535349 423194193 /nfs/dbraw/zinc/19/41/93/423194193.db2.gz CEDPQHYOHLVGHJ-KVSKMBFKSA-N 2 3 313.445 1.974 20 0 DDADHP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505846 288101403 /nfs/dbraw/zinc/10/14/03/288101403.db2.gz IAHAWGSGRGZLSV-VGAKTEPXSA-N 2 3 308.514 1.521 20 0 DDADHP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505846 288101406 /nfs/dbraw/zinc/10/14/06/288101406.db2.gz IAHAWGSGRGZLSV-VGAKTEPXSA-N 2 3 308.514 1.521 20 0 DDADHP C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000675871731 486058382 /nfs/dbraw/zinc/05/83/82/486058382.db2.gz AFZWBJYVJSVUPM-DOTOQJQBSA-N 2 3 308.514 1.475 20 0 DDADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000903918421 711331469 /nfs/dbraw/zinc/33/14/69/711331469.db2.gz ZHVOXTJZBMVAOU-HRCADAONSA-N 2 3 318.469 1.024 20 0 DDADHP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925497816 714873731 /nfs/dbraw/zinc/87/37/31/714873731.db2.gz YXDZJBIBBTVJMQ-SQNIBIBYSA-N 2 3 322.541 1.626 20 0 DDADHP C[C@@H]1C[N@@H+](CCCCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@H](C)O1 ZINC000925570854 714889919 /nfs/dbraw/zinc/88/99/19/714889919.db2.gz YBVXUYGXYHLGAM-NDVFFRQXSA-N 2 3 307.482 1.462 20 0 DDADHP C[C@@H]1C[N@H+](CCCCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@H](C)O1 ZINC000925570854 714889920 /nfs/dbraw/zinc/88/99/20/714889920.db2.gz YBVXUYGXYHLGAM-NDVFFRQXSA-N 2 3 307.482 1.462 20 0 DDADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000925717307 714920674 /nfs/dbraw/zinc/92/06/74/714920674.db2.gz SLGUHUPQVPXVBD-SFFUCWETSA-N 2 3 307.482 1.450 20 0 DDADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@]1(C(C)C)CCC[NH2+]C1 ZINC001221391719 879743219 /nfs/dbraw/zinc/74/32/19/879743219.db2.gz ZUMPFOITOWXDAE-MRXNPFEDSA-N 2 3 311.474 1.076 20 0 DDADHP c1c(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235938916 889022766 /nfs/dbraw/zinc/02/27/66/889022766.db2.gz MTULIZFOMQIJAM-HOTGVXAUSA-N 2 3 310.445 1.786 20 0 DDADHP CCOC(=O)[C@]12C[N@H+](Cc3cccc(C[NH3+])c3)C[C@H]1CNCC2 ZINC001236039806 889075164 /nfs/dbraw/zinc/07/51/64/889075164.db2.gz AJRDTHQMENJTKX-SJLPKXTDSA-N 2 3 317.433 1.120 20 0 DDADHP CCOC(=O)[C@]12C[N@@H+](Cc3cccc(C[NH3+])c3)C[C@H]1CNCC2 ZINC001236039806 889075177 /nfs/dbraw/zinc/07/51/77/889075177.db2.gz AJRDTHQMENJTKX-SJLPKXTDSA-N 2 3 317.433 1.120 20 0 DDADHP COC(=O)C1(CN[C@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]CC1 ZINC001246095951 892414580 /nfs/dbraw/zinc/41/45/80/892414580.db2.gz HKKLFZDXYINQKS-HNNXBMFYSA-N 2 3 323.481 1.574 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@H]3COC4(C[NH2+]C4)C3)CCN2)cc1 ZINC001246136007 892429440 /nfs/dbraw/zinc/42/94/40/892429440.db2.gz QXAJKIOZSLWOHO-RCCFBDPRSA-N 2 3 315.461 1.318 20 0 DDADHP c1ccc([C@H]2C[C@@H]([NH2+]C3CN(C4CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246215241 892483440 /nfs/dbraw/zinc/48/34/40/892483440.db2.gz NLQYGBLAHGCDOR-QFBILLFUSA-N 2 3 314.477 1.506 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+](C1CCC3(C[NH2+]C3)CC1)C2 ZINC001246657517 892772080 /nfs/dbraw/zinc/77/20/80/892772080.db2.gz QXNXYPSBUBZFKS-FZMZJTMJSA-N 2 3 303.372 1.602 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+](C1CCC3(C[NH2+]C3)CC1)C2 ZINC001246657517 892772088 /nfs/dbraw/zinc/77/20/88/892772088.db2.gz QXNXYPSBUBZFKS-FZMZJTMJSA-N 2 3 303.372 1.602 20 0 DDADHP c1ccc(C[N@H+](C2CCNCC2)[C@@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246912681 892986947 /nfs/dbraw/zinc/98/69/47/892986947.db2.gz FNWGTSOMZBNZMZ-GOSISDBHSA-N 2 3 315.461 1.762 20 0 DDADHP c1ccc(C[N@@H+](C2CCNCC2)[C@@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246912681 892986955 /nfs/dbraw/zinc/98/69/55/892986955.db2.gz FNWGTSOMZBNZMZ-GOSISDBHSA-N 2 3 315.461 1.762 20 0 DDADHP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256677323 897530068 /nfs/dbraw/zinc/53/00/68/897530068.db2.gz CKAYKCAORNIVNL-AOCRQIFASA-N 2 3 309.498 1.951 20 0 DDADHP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256677323 897530075 /nfs/dbraw/zinc/53/00/75/897530075.db2.gz CKAYKCAORNIVNL-AOCRQIFASA-N 2 3 309.498 1.951 20 0 DDADHP C[N@@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H]2CCC[C@H]21 ZINC000635008374 422761994 /nfs/dbraw/zinc/76/19/94/422761994.db2.gz DGDNIOHCEKIPSB-IXDOHACOSA-N 2 3 315.465 1.776 20 0 DDADHP C[N@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H]2CCC[C@H]21 ZINC000635008374 422761997 /nfs/dbraw/zinc/76/19/97/422761997.db2.gz DGDNIOHCEKIPSB-IXDOHACOSA-N 2 3 315.465 1.776 20 0 DDADHP CC[NH+](C)C[C@@H]1CCN(CCCN2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000173913958 248350110 /nfs/dbraw/zinc/35/01/10/248350110.db2.gz PXUVYGYUMSSMCG-KDURUIRLSA-N 2 3 324.557 1.924 20 0 DDADHP CC[NH+](C)C[C@@H]1CCN(CCCN2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000173913958 248350113 /nfs/dbraw/zinc/35/01/13/248350113.db2.gz PXUVYGYUMSSMCG-KDURUIRLSA-N 2 3 324.557 1.924 20 0 DDADHP CC[NH+](C)C[C@H]1CCN(CCCN2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000173913958 248350117 /nfs/dbraw/zinc/35/01/17/248350117.db2.gz PXUVYGYUMSSMCG-KDURUIRLSA-N 2 3 324.557 1.924 20 0 DDADHP CC[NH+](C)C[C@H]1CCN(CCCN2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000173913958 248350120 /nfs/dbraw/zinc/35/01/20/248350120.db2.gz PXUVYGYUMSSMCG-KDURUIRLSA-N 2 3 324.557 1.924 20 0 DDADHP COc1ccc([C@H](CN)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420316551 286372196 /nfs/dbraw/zinc/37/21/96/286372196.db2.gz YISPLVMWWLACHY-MRXNPFEDSA-N 2 3 303.450 1.813 20 0 DDADHP COc1ccc([C@H](CN)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420316551 286372197 /nfs/dbraw/zinc/37/21/97/286372197.db2.gz YISPLVMWWLACHY-MRXNPFEDSA-N 2 3 303.450 1.813 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422815844 227194687 /nfs/dbraw/zinc/19/46/87/227194687.db2.gz CQZNBDYIVFRFNY-GBESFXJTSA-N 2 3 322.541 1.913 20 0 DDADHP C[NH+](C)CCOc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000423022726 227316601 /nfs/dbraw/zinc/31/66/01/227316601.db2.gz IIQQUAYDEMBNRH-HZPDHXFCSA-N 2 3 306.454 1.629 20 0 DDADHP COc1ccc([C@@H](CN)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420335732 420217894 /nfs/dbraw/zinc/21/78/94/420217894.db2.gz MCHUPZCRPOMMAJ-BBWFWOEESA-N 2 3 303.450 1.669 20 0 DDADHP COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420335732 420217895 /nfs/dbraw/zinc/21/78/95/420217895.db2.gz MCHUPZCRPOMMAJ-BBWFWOEESA-N 2 3 303.450 1.669 20 0 DDADHP Cc1c(C[C@@H](C[NH3+])CN2CCC(C[NH+](C)C)CC2)cnn1C ZINC000903906827 711325416 /nfs/dbraw/zinc/32/54/16/711325416.db2.gz ZJEISOVPSLQJLT-INIZCTEOSA-N 2 3 307.486 1.120 20 0 DDADHP CC[NH2+]CC1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904301769 711429505 /nfs/dbraw/zinc/42/95/05/711429505.db2.gz QSNOZDZIMFJCAJ-UHFFFAOYSA-N 2 3 306.454 1.511 20 0 DDADHP C[C@]1(CN2CCC(OCC[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000904325248 711841463 /nfs/dbraw/zinc/84/14/63/711841463.db2.gz UICOWTGYTHGNDR-SFHVURJKSA-N 2 3 309.498 1.953 20 0 DDADHP N[C@H](CC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2)Cc1ccccc1 ZINC000925725277 714921956 /nfs/dbraw/zinc/92/19/56/714921956.db2.gz ILDYRIFAHQKKQP-MDMSPXHWSA-N 2 3 303.450 1.288 20 0 DDADHP [NH3+]C1CCN(CCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000925817786 714943262 /nfs/dbraw/zinc/94/32/62/714943262.db2.gz WYSHAZCNHRFZJP-ROUUACIJSA-N 2 3 302.466 1.492 20 0 DDADHP [NH3+][C@@H]1CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001205101699 871364161 /nfs/dbraw/zinc/36/41/61/871364161.db2.gz JHUAXJVFNPTJFY-GOSISDBHSA-N 2 3 302.466 1.405 20 0 DDADHP C[C@H]1CCN(Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001205303654 871489265 /nfs/dbraw/zinc/48/92/65/871489265.db2.gz JCKDMAHEPUDKFM-DOTOQJQBSA-N 2 3 302.466 1.513 20 0 DDADHP C[C@H]1CC[C@H](CN)[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001205818998 871832380 /nfs/dbraw/zinc/83/23/80/871832380.db2.gz VZOBOGFIHRZCAB-QFBILLFUSA-N 2 3 316.493 1.651 20 0 DDADHP C[C@H]1CC[C@H](CN)[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001205818998 871832398 /nfs/dbraw/zinc/83/23/98/871832398.db2.gz VZOBOGFIHRZCAB-QFBILLFUSA-N 2 3 316.493 1.651 20 0 DDADHP CC[NH+](CC)CCN1CCN(CC2CC[NH+](CC)CC2)CC1 ZINC001208594329 874292395 /nfs/dbraw/zinc/29/23/95/874292395.db2.gz NEHSQFPUZZNJTE-UHFFFAOYSA-N 2 3 310.530 1.678 20 0 DDADHP [NH3+]C1CC2(C1)CN(Cc1cccc(CN3CC[NH2+]CC3)c1)C2 ZINC001235820544 888973110 /nfs/dbraw/zinc/97/31/10/888973110.db2.gz PLCFFORNVPUAFV-UHFFFAOYSA-N 2 3 300.450 1.015 20 0 DDADHP O[C@@]1(C[NH2+]CC2(c3ccccc3F)CC[NH2+]CC2)CCCNC1 ZINC001246005343 892322494 /nfs/dbraw/zinc/32/24/94/892322494.db2.gz GFFNBDWZVVWUPX-SFHVURJKSA-N 2 3 321.440 1.151 20 0 DDADHP O[C@@]1(CNCC2(c3ccccc3F)CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246005343 892322513 /nfs/dbraw/zinc/32/25/13/892322513.db2.gz GFFNBDWZVVWUPX-SFHVURJKSA-N 2 3 321.440 1.151 20 0 DDADHP O[C@@]1(CNCC2(c3ccccc3Cl)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246010800 892331495 /nfs/dbraw/zinc/33/14/95/892331495.db2.gz OVUFLPSTHWZGIP-KRWDZBQOSA-N 2 3 323.868 1.275 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)CCN2)cc1 ZINC001246131838 892427339 /nfs/dbraw/zinc/42/73/39/892427339.db2.gz KFOPSFRREOPAFK-RHQZKXFESA-N 2 3 315.461 1.174 20 0 DDADHP c1ccc([C@@H]2C[C@H](N[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)CC[NH2+]2)cc1 ZINC001246150110 892443787 /nfs/dbraw/zinc/44/37/87/892443787.db2.gz FLBNEHBKPWJQTF-OWSLCNJRSA-N 2 3 301.434 1.590 20 0 DDADHP C1[NH2+]CC12C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CCN2 ZINC001246367838 892575821 /nfs/dbraw/zinc/57/58/21/892575821.db2.gz VFHXREOBJLAWFW-MRXNPFEDSA-N 2 3 306.498 1.467 20 0 DDADHP C[C@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246421210 892617004 /nfs/dbraw/zinc/61/70/04/892617004.db2.gz MMRHDDUYQBOVHG-RDJZCZTQSA-N 2 3 302.466 1.724 20 0 DDADHP C([NH2+]C1CCC(N2CCOCC2)CC1)C12CC[NH+](CC1)CC2 ZINC001256686917 897541270 /nfs/dbraw/zinc/54/12/70/897541270.db2.gz VZASKILQVQHFKW-UHFFFAOYSA-N 2 3 307.482 1.705 20 0 DDADHP C[NH2+]CCCN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000435883670 420292455 /nfs/dbraw/zinc/29/24/55/420292455.db2.gz AGZDHWWWTOUCAD-UHFFFAOYSA-N 2 3 310.530 1.724 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643512469 423184875 /nfs/dbraw/zinc/18/48/75/423184875.db2.gz LTNZDLCUAHTORE-MBGYTDRXSA-N 2 3 301.434 1.959 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC(N[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000665289190 424774770 /nfs/dbraw/zinc/77/47/70/424774770.db2.gz INRRAVNJNLDFOX-GDBMZVCRSA-N 2 3 310.486 1.097 20 0 DDADHP COc1ccc([C@H](C[NH3+])CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000420313968 295241165 /nfs/dbraw/zinc/24/11/65/295241165.db2.gz UVRBIFDFDCMIEV-IDCNUPLLSA-N 2 3 303.450 1.797 20 0 DDADHP C[NH2+]Cc1ccccc1CNC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903931177 711338336 /nfs/dbraw/zinc/33/83/36/711338336.db2.gz AJAHJMULLLSLNF-OAHLLOKOSA-N 2 3 315.465 1.355 20 0 DDADHP CCOC(=O)[C@@H]1CC2(CN1CC[C@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC001222215990 880334076 /nfs/dbraw/zinc/33/40/76/880334076.db2.gz RMCZSLAQUOUIEX-CVEARBPZSA-N 2 3 323.481 1.383 20 0 DDADHP c1c(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235938921 889023316 /nfs/dbraw/zinc/02/33/16/889023316.db2.gz MTULIZFOMQIJAM-JKSUJKDBSA-N 2 3 310.445 1.786 20 0 DDADHP N[C@H]1CC[N@@H+](C2CCN(CCC[NH2+]C3CCCCC3)CC2)C1 ZINC001236615148 889273371 /nfs/dbraw/zinc/27/33/71/889273371.db2.gz GCHJGQFALYGVFL-INIZCTEOSA-N 2 3 308.514 1.796 20 0 DDADHP N[C@H]1CC[N@H+](C2CCN(CCC[NH2+]C3CCCCC3)CC2)C1 ZINC001236615148 889273387 /nfs/dbraw/zinc/27/33/87/889273387.db2.gz GCHJGQFALYGVFL-INIZCTEOSA-N 2 3 308.514 1.796 20 0 DDADHP O[C@]1(C[NH2+][C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)CCCNC1 ZINC001245998130 892318096 /nfs/dbraw/zinc/31/80/96/892318096.db2.gz GKRNTRTXGMISCQ-QZTJIDSGSA-N 2 3 321.440 1.571 20 0 DDADHP CCCC[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246141028 892434950 /nfs/dbraw/zinc/43/49/50/892434950.db2.gz HVHDFLZIXXJJGF-IXDOHACOSA-N 2 3 308.514 1.761 20 0 DDADHP C([NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246155692 892450709 /nfs/dbraw/zinc/45/07/09/892450709.db2.gz ZMHLLQLNZACTAJ-JZXOWHBKSA-N 2 3 307.482 1.657 20 0 DDADHP [NH3+]C1(c2ccc(F)cc2)CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246385494 892589288 /nfs/dbraw/zinc/58/92/88/892589288.db2.gz FINCIYIXLOFRNG-INIZCTEOSA-N 2 3 318.440 1.170 20 0 DDADHP NC1(c2ccc(F)cc2)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246385494 892589298 /nfs/dbraw/zinc/58/92/98/892589298.db2.gz FINCIYIXLOFRNG-INIZCTEOSA-N 2 3 318.440 1.170 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+](C3CCC([NH2+]C)CC3)C[C@@H]1CNCCC2 ZINC001246596093 892722749 /nfs/dbraw/zinc/72/27/49/892722749.db2.gz OQSKYPCYJSCTER-USSHROBNSA-N 2 3 323.481 1.382 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+](C3CCC([NH2+]C)CC3)C[C@@H]1CNCCC2 ZINC001246596093 892722756 /nfs/dbraw/zinc/72/27/56/892722756.db2.gz OQSKYPCYJSCTER-USSHROBNSA-N 2 3 323.481 1.382 20 0 DDADHP CC[C@@H]1C[C@H](N2CCC[C@@H](N3CC(C[NH3+])C3)C2)C[C@H](CC)[NH2+]1 ZINC001246876010 892965389 /nfs/dbraw/zinc/96/53/89/892965389.db2.gz XFBSHXRYXYHQMA-XDNAFOTISA-N 2 3 308.514 1.651 20 0 DDADHP [NH3+]CCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255108921 896739383 /nfs/dbraw/zinc/73/93/83/896739383.db2.gz IWIBQWMQSCPQPI-IBGZPJMESA-N 2 3 316.493 1.617 20 0 DDADHP [NH3+]CCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255108921 896739400 /nfs/dbraw/zinc/73/94/00/896739400.db2.gz IWIBQWMQSCPQPI-IBGZPJMESA-N 2 3 316.493 1.617 20 0 DDADHP C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422797133 287018728 /nfs/dbraw/zinc/01/87/28/287018728.db2.gz ZXONGKSAFKLWLU-SJORKVTESA-N 2 3 308.514 1.667 20 0 DDADHP CCN1CCN(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788172 423048130 /nfs/dbraw/zinc/04/81/30/423048130.db2.gz DINSJSNMRNEZAV-FGTMMUONSA-N 2 3 308.514 1.382 20 0 DDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422913981 227258473 /nfs/dbraw/zinc/25/84/73/227258473.db2.gz RHPZDILZWKOELU-UONOGXRCSA-N 2 3 306.454 1.193 20 0 DDADHP CC(C)N1CCN(C2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000414709866 419821918 /nfs/dbraw/zinc/82/19/18/419821918.db2.gz QPBKKXDVRLMJKK-MSOLQXFVSA-N 2 3 322.541 1.865 20 0 DDADHP O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422991925 419977894 /nfs/dbraw/zinc/97/78/94/419977894.db2.gz QLQICCHGNMJCLS-QXCZDIPSSA-N 2 3 321.509 1.875 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000247065197 282032987 /nfs/dbraw/zinc/03/29/87/282032987.db2.gz OANMFOFUODBEMF-KZNAEPCWSA-N 2 3 310.530 1.722 20 0 DDADHP C[NH+]1CCC(N2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000677241102 486423749 /nfs/dbraw/zinc/42/37/49/486423749.db2.gz MACHETBWRPBCNV-RYRKJORJSA-N 2 3 306.498 1.371 20 0 DDADHP C[NH+]1CCC(N2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000677241102 486423754 /nfs/dbraw/zinc/42/37/54/486423754.db2.gz MACHETBWRPBCNV-RYRKJORJSA-N 2 3 306.498 1.371 20 0 DDADHP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCCC2)CC[NH2+]CC1 ZINC000422789230 528606469 /nfs/dbraw/zinc/60/64/69/528606469.db2.gz RSQBVSYJBOJVPP-OAHLLOKOSA-N 2 3 311.470 1.383 20 0 DDADHP CCOC(=O)C1([C@@H](C)NCCC[NH+]2CCCC2)CC[NH2+]CC1 ZINC000422789230 528606474 /nfs/dbraw/zinc/60/64/74/528606474.db2.gz RSQBVSYJBOJVPP-OAHLLOKOSA-N 2 3 311.470 1.383 20 0 DDADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])c2)nn1 ZINC000873243022 707781192 /nfs/dbraw/zinc/78/11/92/707781192.db2.gz IHRGJODPLVYLRF-RHSMWYFYSA-N 2 3 314.437 1.333 20 0 DDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925817023 714943099 /nfs/dbraw/zinc/94/30/99/714943099.db2.gz MCPKHECNGRKXHJ-QZTJIDSGSA-N 2 3 302.466 1.451 20 0 DDADHP C[C@H](C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001161447898 866673432 /nfs/dbraw/zinc/67/34/32/866673432.db2.gz ZVBNZTXJEXZGJL-YYIAUSFCSA-N 2 3 324.513 1.153 20 0 DDADHP c1cc2n(c1C[NH+]1CCC([C@@H]3CCCC[NH2+]3)CC1)CCNC2 ZINC001235229638 888493937 /nfs/dbraw/zinc/49/39/37/888493937.db2.gz RTHBMBAYPSNUPH-SFHVURJKSA-N 2 3 302.466 1.945 20 0 DDADHP C1C[C@@H]2C[C@H]([NH2+]C3CCN(C4CC[NH2+]CC4)CC3)C[C@H](C1)N2 ZINC001246135883 892429179 /nfs/dbraw/zinc/42/91/79/892429179.db2.gz CZKHOOGVDPFYCZ-FVQHAEBGSA-N 2 3 306.498 1.466 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CO[C@]4(CC[NH2+]C4)C3)CCN2)cc1 ZINC001246153565 892447549 /nfs/dbraw/zinc/44/75/49/892447549.db2.gz SUVLYHDDBQVZNO-AKHDSKFASA-N 2 3 315.461 1.460 20 0 DDADHP c1ccc(C[C@@H]2C[C@H](N[C@@H]3CO[C@]4(CC[NH2+]C4)C3)CC[NH2+]2)cc1 ZINC001246153565 892447565 /nfs/dbraw/zinc/44/75/65/892447565.db2.gz SUVLYHDDBQVZNO-AKHDSKFASA-N 2 3 315.461 1.460 20 0 DDADHP C(CN1CCCC1)[C@H]1CCCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787553 892900504 /nfs/dbraw/zinc/90/05/04/892900504.db2.gz QIYJFTUPUZXBDG-IAGOWNOFSA-N 2 3 306.498 1.421 20 0 DDADHP C(CN1CCCC1)[C@H]1CCCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787553 892900514 /nfs/dbraw/zinc/90/05/14/892900514.db2.gz QIYJFTUPUZXBDG-IAGOWNOFSA-N 2 3 306.498 1.421 20 0 DDADHP CCN(CC)CC[C@H](C)[NH2+]CCCOCCOCCC[NH3+] ZINC001255946365 897167763 /nfs/dbraw/zinc/16/77/63/897167763.db2.gz UAXZZJGQRNNEMV-INIZCTEOSA-N 2 3 303.491 1.469 20 0 DDADHP CCN1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H](C)C1 ZINC000415056306 419925174 /nfs/dbraw/zinc/92/51/74/419925174.db2.gz PWIADZCFXAZOJK-AQEOSJORSA-N 2 3 308.514 1.523 20 0 DDADHP CCN1CC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@H](C)C1 ZINC000415056306 419925180 /nfs/dbraw/zinc/92/51/80/419925180.db2.gz PWIADZCFXAZOJK-AQEOSJORSA-N 2 3 308.514 1.523 20 0 DDADHP C(C1CC1)N1CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000584517357 337354066 /nfs/dbraw/zinc/35/40/66/337354066.db2.gz VLJUZVPSQVVNKD-UHFFFAOYSA-N 2 3 320.525 1.667 20 0 DDADHP C(C1CC1)N1CCC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000584517357 337354067 /nfs/dbraw/zinc/35/40/67/337354067.db2.gz VLJUZVPSQVVNKD-UHFFFAOYSA-N 2 3 320.525 1.667 20 0 DDADHP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H](C[NH3+])C2)CC1 ZINC000435381230 528249312 /nfs/dbraw/zinc/24/93/12/528249312.db2.gz VOTPWITUUWWSCN-QGZVFWFLSA-N 2 3 316.493 1.999 20 0 DDADHP C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923324324 714314234 /nfs/dbraw/zinc/31/42/34/714314234.db2.gz SYDHXHZCLPHDHV-FHWLQOOXSA-N 2 3 317.477 1.681 20 0 DDADHP C[N@H+](Cc1ccccc1)CC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923324324 714314237 /nfs/dbraw/zinc/31/42/37/714314237.db2.gz SYDHXHZCLPHDHV-FHWLQOOXSA-N 2 3 317.477 1.681 20 0 DDADHP O=C1O[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC12CC[NH2+]CC2 ZINC000925849588 714950549 /nfs/dbraw/zinc/95/05/49/714950549.db2.gz QDESLPIJBCUFHE-CAOSSQGBSA-N 2 3 321.465 1.182 20 0 DDADHP CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273031555 847814708 /nfs/dbraw/zinc/81/47/08/847814708.db2.gz YPJUELFZMBXXBH-SFHVURJKSA-N 2 3 322.497 1.005 20 0 DDADHP CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001273031555 847814721 /nfs/dbraw/zinc/81/47/21/847814721.db2.gz YPJUELFZMBXXBH-SFHVURJKSA-N 2 3 322.497 1.005 20 0 DDADHP C(C1CCCC1)[N@@H+]1CCO[C@@H]2CN(CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC001207437277 873271497 /nfs/dbraw/zinc/27/14/97/873271497.db2.gz RYKVOLPDEHCGGC-RBUKOAKNSA-N 2 3 321.509 1.809 20 0 DDADHP C(C1CCCC1)[N@H+]1CCO[C@@H]2CN(CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC001207437277 873271504 /nfs/dbraw/zinc/27/15/04/873271504.db2.gz RYKVOLPDEHCGGC-RBUKOAKNSA-N 2 3 321.509 1.809 20 0 DDADHP C(C1CCCC1)N1CCO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC001207437277 873271513 /nfs/dbraw/zinc/27/15/13/873271513.db2.gz RYKVOLPDEHCGGC-RBUKOAKNSA-N 2 3 321.509 1.809 20 0 DDADHP C(C1CCCC1)N1CCO[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC001207437277 873271521 /nfs/dbraw/zinc/27/15/21/873271521.db2.gz RYKVOLPDEHCGGC-RBUKOAKNSA-N 2 3 321.509 1.809 20 0 DDADHP N[C@@H](C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1)C1CC[NH2+]CC1 ZINC001218996072 877864566 /nfs/dbraw/zinc/86/45/66/877864566.db2.gz HJWBCAXJUZWARW-GDBMZVCRSA-N 2 3 302.422 1.029 20 0 DDADHP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220384151 878969127 /nfs/dbraw/zinc/96/91/27/878969127.db2.gz KZJYDYKJFHEXSG-RDJZCZTQSA-N 2 3 316.449 1.449 20 0 DDADHP [NH3+]C1([C@@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@H]2CF)CC1 ZINC001235395488 888611754 /nfs/dbraw/zinc/61/17/54/888611754.db2.gz GGDHNZFQCLVFMC-TZMCWYRMSA-N 2 3 309.454 1.903 20 0 DDADHP C(C[NH2+]C1CCCCC1)CN1CCC([NH+]2CCNCC2)CC1 ZINC001236129023 889111552 /nfs/dbraw/zinc/11/15/52/889111552.db2.gz NCPWSPNNWJYCBG-UHFFFAOYSA-N 2 3 308.514 1.668 20 0 DDADHP CCCC[C@H]1C[C@H](NCC2(C(=O)OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001246099924 892414301 /nfs/dbraw/zinc/41/43/01/892414301.db2.gz ZCERCCZUVHJHRA-LSDHHAIUSA-N 2 3 311.470 1.430 20 0 DDADHP CCCC[C@H]1C[C@@H](NCC2(C(=O)OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001246099920 892415917 /nfs/dbraw/zinc/41/59/17/892415917.db2.gz ZCERCCZUVHJHRA-GJZGRUSLSA-N 2 3 311.470 1.430 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)CCN2)cc1 ZINC001246131834 892427950 /nfs/dbraw/zinc/42/79/50/892427950.db2.gz KFOPSFRREOPAFK-FVVUREQNSA-N 2 3 315.461 1.174 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+][C@H]3CO[C@]4(CC[NH2+]C4)C3)CCN2)cc1 ZINC001246153567 892448705 /nfs/dbraw/zinc/44/87/05/892448705.db2.gz SUVLYHDDBQVZNO-NCXUSEDFSA-N 2 3 315.461 1.460 20 0 DDADHP c1ccc(C[C@@H]2C[C@H](N[C@H]3CO[C@]4(CC[NH2+]C4)C3)CC[NH2+]2)cc1 ZINC001246153567 892448711 /nfs/dbraw/zinc/44/87/11/892448711.db2.gz SUVLYHDDBQVZNO-NCXUSEDFSA-N 2 3 315.461 1.460 20 0 DDADHP c1ccc(C2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)nc1 ZINC001246425380 892619433 /nfs/dbraw/zinc/61/94/33/892619433.db2.gz AVQRJZRBKQQQCT-INIZCTEOSA-N 2 3 314.477 1.967 20 0 DDADHP c1ccc(C2(CN[C@H]3CC[NH2+]C4(CCC4)C3)CC[NH2+]CC2)nc1 ZINC001246425380 892619436 /nfs/dbraw/zinc/61/94/36/892619436.db2.gz AVQRJZRBKQQQCT-INIZCTEOSA-N 2 3 314.477 1.967 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000635012877 422765118 /nfs/dbraw/zinc/76/51/18/422765118.db2.gz WMVRNNHZIHLMHM-RBSFLKMASA-N 2 3 301.438 1.291 20 0 DDADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422913979 532963687 /nfs/dbraw/zinc/96/36/87/532963687.db2.gz RHPZDILZWKOELU-KGLIPLIRSA-N 2 3 306.454 1.193 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000154473191 408042474 /nfs/dbraw/zinc/04/24/74/408042474.db2.gz NFFDYVNKXXKPQI-ZWKOTPCHSA-N 2 3 310.530 1.724 20 0 DDADHP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000629529943 422713090 /nfs/dbraw/zinc/71/30/90/422713090.db2.gz QYZYMHGWZTYUIU-SJLPKXTDSA-N 2 3 305.466 1.723 20 0 DDADHP C[NH2+]CCOCCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629529943 422713094 /nfs/dbraw/zinc/71/30/94/422713094.db2.gz QYZYMHGWZTYUIU-SJLPKXTDSA-N 2 3 305.466 1.723 20 0 DDADHP C[NH2+]CCOCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629529943 422713097 /nfs/dbraw/zinc/71/30/97/422713097.db2.gz QYZYMHGWZTYUIU-SJLPKXTDSA-N 2 3 305.466 1.723 20 0 DDADHP CN1CC[C@]2(CC[N@H+](CCCN3CC[C@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000368352065 301009749 /nfs/dbraw/zinc/00/97/49/301009749.db2.gz NXEAZBXEXLAXGS-OALUTQOASA-N 2 3 320.525 1.432 20 0 DDADHP CN1CC[C@]2(CC[N@@H+](CCCN3CC[C@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000368352065 301009753 /nfs/dbraw/zinc/00/97/53/301009753.db2.gz NXEAZBXEXLAXGS-OALUTQOASA-N 2 3 320.525 1.432 20 0 DDADHP CN1CC[C@]2(CC[NH+](CCCN3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000368352065 301009755 /nfs/dbraw/zinc/00/97/55/301009755.db2.gz NXEAZBXEXLAXGS-OALUTQOASA-N 2 3 320.525 1.432 20 0 DDADHP CN1CC[C@]2(CC[NH+](CCCN3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000368352065 301009759 /nfs/dbraw/zinc/00/97/59/301009759.db2.gz NXEAZBXEXLAXGS-OALUTQOASA-N 2 3 320.525 1.432 20 0 DDADHP c1cc(N2CC[NH2+]CC2)oc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000904299525 711428571 /nfs/dbraw/zinc/42/85/71/711428571.db2.gz GMIIZJUQPUGGQL-KRWDZBQOSA-N 2 3 318.465 1.653 20 0 DDADHP C[C@H]1[NH2+]CCC[C@H]1NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000925512577 714877476 /nfs/dbraw/zinc/87/74/76/714877476.db2.gz DBRVJXWOKIVJRP-IAGOWNOFSA-N 2 3 308.514 1.667 20 0 DDADHP COCC1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC[NH2+]CC1 ZINC000925699649 714917089 /nfs/dbraw/zinc/91/70/89/714917089.db2.gz LNBMWHZCGWGXJU-DLBZAZTESA-N 2 3 309.498 1.761 20 0 DDADHP C[NH+]1CCN(c2ccc(CN3CCC[C@H]([NH3+])CC3)cn2)CC1 ZINC001205117797 871373613 /nfs/dbraw/zinc/37/36/13/871373613.db2.gz VSFFMDKKJVXJNB-INIZCTEOSA-N 2 3 303.454 1.147 20 0 DDADHP C[C@@H]1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1C[NH3+] ZINC001205305161 871490265 /nfs/dbraw/zinc/49/02/65/871490265.db2.gz RGVKWXOIGQBZOE-NVXWUHKLSA-N 2 3 302.466 1.513 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001220221103 878830307 /nfs/dbraw/zinc/83/03/07/878830307.db2.gz QXSPJCRRVNMQIL-JYJNAYRXSA-N 2 3 312.502 1.471 20 0 DDADHP CN1CCC([NH2+][C@]23CC[C@](NCC[NH+](C)C)(C2)CCC3)CC1 ZINC001277627209 886153915 /nfs/dbraw/zinc/15/39/15/886153915.db2.gz QDYSTDDGMNIQRE-ZWKOTPCHSA-N 2 3 308.514 1.667 20 0 DDADHP c1ccc([C@@]23CCNC[C@H]2C[N@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC001235365237 888591286 /nfs/dbraw/zinc/59/12/86/888591286.db2.gz NJJADGXXXDTVNS-OMZCGLGVSA-N 2 3 311.473 1.705 20 0 DDADHP c1ccc([C@@]23CCNC[C@H]2C[N@@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC001235365237 888591294 /nfs/dbraw/zinc/59/12/94/888591294.db2.gz NJJADGXXXDTVNS-OMZCGLGVSA-N 2 3 311.473 1.705 20 0 DDADHP c1ccc(N2CC[NH2+]CC2)c(CN2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236010818 889058069 /nfs/dbraw/zinc/05/80/69/889058069.db2.gz YGAYLKPDJJFNIS-UHFFFAOYSA-N 2 3 314.477 1.672 20 0 DDADHP OC1(C[NH2+]C2(Cc3ccc(F)cc3)CCNCC2)CC[NH2+]CC1 ZINC001246001752 892320697 /nfs/dbraw/zinc/32/06/97/892320697.db2.gz SGZBZRIWCCRPIF-UHFFFAOYSA-N 2 3 321.440 1.195 20 0 DDADHP OC1(CNC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246001752 892320717 /nfs/dbraw/zinc/32/07/17/892320717.db2.gz SGZBZRIWCCRPIF-UHFFFAOYSA-N 2 3 321.440 1.195 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246150059 892443587 /nfs/dbraw/zinc/44/35/87/892443587.db2.gz VFBBRBYZLSOORA-XHSDSOJGSA-N 2 3 308.514 1.617 20 0 DDADHP CCOC(=O)C1(CN[C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC[NH2+]CC1 ZINC001246319218 892539303 /nfs/dbraw/zinc/53/93/03/892539303.db2.gz NNROKSRTHLVHNN-HUUCEWRRSA-N 2 3 311.470 1.286 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCN[C@H](CC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677432 892780441 /nfs/dbraw/zinc/78/04/41/892780441.db2.gz DQTUAVWRHVAMCJ-LHHMISFZSA-N 2 3 323.481 1.382 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCN[C@H](CC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677432 892780452 /nfs/dbraw/zinc/78/04/52/892780452.db2.gz DQTUAVWRHVAMCJ-LHHMISFZSA-N 2 3 323.481 1.382 20 0 DDADHP CN1CCC([N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)CC1 ZINC001246986414 893058299 /nfs/dbraw/zinc/05/82/99/893058299.db2.gz BLMTWNYYVDPCSS-KRWDZBQOSA-N 2 3 306.498 1.277 20 0 DDADHP CN1CCC([N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)CC1 ZINC001246986414 893058318 /nfs/dbraw/zinc/05/83/18/893058318.db2.gz BLMTWNYYVDPCSS-KRWDZBQOSA-N 2 3 306.498 1.277 20 0 DDADHP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422861336 286198455 /nfs/dbraw/zinc/19/84/55/286198455.db2.gz JDBXSJTULZQDAU-CJNGLKHVSA-N 2 3 308.470 1.856 20 0 DDADHP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382685035 418732018 /nfs/dbraw/zinc/73/20/18/418732018.db2.gz DYTIBQKYAHTVJZ-IBGZPJMESA-N 2 3 316.493 1.346 20 0 DDADHP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382685035 418732021 /nfs/dbraw/zinc/73/20/21/418732021.db2.gz DYTIBQKYAHTVJZ-IBGZPJMESA-N 2 3 316.493 1.346 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414692054 419822377 /nfs/dbraw/zinc/82/23/77/419822377.db2.gz KNAXJQOYXSOARN-AKHDSKFASA-N 2 3 322.541 1.865 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414692054 419822384 /nfs/dbraw/zinc/82/23/84/419822384.db2.gz KNAXJQOYXSOARN-AKHDSKFASA-N 2 3 322.541 1.865 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423526505 420072192 /nfs/dbraw/zinc/07/21/92/420072192.db2.gz LLIPXQUVXXVWIA-ROUUACIJSA-N 2 3 316.493 1.697 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420333827 302382731 /nfs/dbraw/zinc/38/27/31/302382731.db2.gz TULAMWAEGMGZEW-OALUTQOASA-N 2 3 322.541 1.724 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420333827 302382732 /nfs/dbraw/zinc/38/27/32/302382732.db2.gz TULAMWAEGMGZEW-OALUTQOASA-N 2 3 322.541 1.724 20 0 DDADHP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001221063519 879477332 /nfs/dbraw/zinc/47/73/32/879477332.db2.gz YKSPLKFCDQNOSZ-IRXDYDNUSA-N 2 3 318.465 1.224 20 0 DDADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001221407723 879761104 /nfs/dbraw/zinc/76/11/04/879761104.db2.gz MCFUETDUOGGMTH-JYJNAYRXSA-N 2 3 312.502 1.281 20 0 DDADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001221407723 879761120 /nfs/dbraw/zinc/76/11/20/879761120.db2.gz MCFUETDUOGGMTH-JYJNAYRXSA-N 2 3 312.502 1.281 20 0 DDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001364988062 889826355 /nfs/dbraw/zinc/82/63/55/889826355.db2.gz RIMUAIZEVYTBSH-OBMPSLJJSA-N 2 3 309.498 1.950 20 0 DDADHP C([NH2+]C1CCC2(CC1)C[NH2+]CCO2)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246140767 892436794 /nfs/dbraw/zinc/43/67/94/892436794.db2.gz BRYQGBICZIJFSN-UMQBVGHOSA-N 2 3 323.481 1.036 20 0 DDADHP CCOC(=O)C[C@H]([NH2+][C@@H]1CCNC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246225095 892487905 /nfs/dbraw/zinc/48/79/05/892487905.db2.gz COWXDDWOYPJJQX-CABCVRRESA-N 2 3 311.470 1.428 20 0 DDADHP CCOC(=O)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246230062 892490137 /nfs/dbraw/zinc/49/01/37/892490137.db2.gz QVTQWEAMMDUMNE-VFSICIBPSA-N 2 3 309.454 1.180 20 0 DDADHP C(C1CCCC1)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246362060 892569472 /nfs/dbraw/zinc/56/94/72/892569472.db2.gz DGQLKWLMBFZJSR-QGZVFWFLSA-N 2 3 306.498 1.325 20 0 DDADHP COc1ccc(CC2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)cc1 ZINC001246393068 892595245 /nfs/dbraw/zinc/59/52/45/892595245.db2.gz SOLTWTBGGPVSLI-UHFFFAOYSA-N 2 3 317.477 1.949 20 0 DDADHP C[C@@H]1C[C@H]([NH2+]CCCNCCC[NH3+])CCN1Cc1ccccc1 ZINC001246455956 892637605 /nfs/dbraw/zinc/63/76/05/892637605.db2.gz YTWLPGOMBLCOLJ-IEBWSBKVSA-N 2 3 318.509 1.958 20 0 DDADHP C1C[C@@H]2C[C@@H](N3CCC(OC4CC[NH2+]CC4)CC3)C[C@H](C1)[NH2+]2 ZINC001246659427 892774218 /nfs/dbraw/zinc/77/42/18/892774218.db2.gz GEECIHVVNGAEET-MUJYYYPQSA-N 2 3 307.482 1.893 20 0 DDADHP C1C[C@@H]2C[C@@H]([NH+]3CCC(OC4CC[NH2+]CC4)CC3)C[C@H](C1)N2 ZINC001246659427 892774232 /nfs/dbraw/zinc/77/42/32/892774232.db2.gz GEECIHVVNGAEET-MUJYYYPQSA-N 2 3 307.482 1.893 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CC[NH2+]1 ZINC001246963386 893030465 /nfs/dbraw/zinc/03/04/65/893030465.db2.gz AMJYWTUKXSCJOA-OIISXLGYSA-N 2 3 308.514 1.651 20 0 DDADHP [NH3+]CCOCCN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000357072034 409841762 /nfs/dbraw/zinc/84/17/62/409841762.db2.gz DAPZPHGDMZIDRC-QZTJIDSGSA-N 2 3 305.466 1.634 20 0 DDADHP CC(C)[NH+]1CCC(N2CCN(CC3CC[NH+](C)CC3)CC2)CC1 ZINC000892194620 710393049 /nfs/dbraw/zinc/39/30/49/710393049.db2.gz WBRNGDWTHKQBSY-UHFFFAOYSA-N 2 3 322.541 1.819 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001160454728 865852622 /nfs/dbraw/zinc/85/26/22/865852622.db2.gz RTLWLQZOEVAGFI-INIZCTEOSA-N 2 3 312.502 1.282 20 0 DDADHP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H](N)CCCC[NH3+] ZINC001220384393 878971417 /nfs/dbraw/zinc/97/14/17/878971417.db2.gz RWJHEBYJYHDKIW-CABCVRRESA-N 2 3 304.438 1.578 20 0 DDADHP CCCC(C[NH3+])(CCC)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001221374789 879726822 /nfs/dbraw/zinc/72/68/22/879726822.db2.gz PZKGWCHPETWJFS-HNNXBMFYSA-N 2 3 314.518 1.896 20 0 DDADHP c1ccc([C@@H]2C[C@H](N[C@H]3CO[C@@]4(CC[NH2+]C4)C3)CC[NH2+]2)cc1 ZINC001246150108 892443807 /nfs/dbraw/zinc/44/38/07/892443807.db2.gz FLBNEHBKPWJQTF-BDXSIMOUSA-N 2 3 301.434 1.590 20 0 DDADHP COC(=O)C1C[C@@H]2CC(N3CC4(C3)CCC[NH2+]CC4)C[C@H](C1)[NH2+]2 ZINC001246851968 892941145 /nfs/dbraw/zinc/94/11/45/892941145.db2.gz BKANBBIEODMVSI-IRHLINNNSA-N 2 3 321.465 1.134 20 0 DDADHP CC[C@@H]1C[C@@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246973017 893037045 /nfs/dbraw/zinc/03/70/45/893037045.db2.gz DXTWDWDGBFSGIM-MHORFTMASA-N 2 3 308.514 1.793 20 0 DDADHP CCN1CCN(CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788174 423048989 /nfs/dbraw/zinc/04/89/89/423048989.db2.gz DINSJSNMRNEZAV-OKZBNKHCSA-N 2 3 308.514 1.382 20 0 DDADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000422904429 227252417 /nfs/dbraw/zinc/25/24/17/227252417.db2.gz XNVCFMHRTPDPFK-WBAXXEDZSA-N 2 3 321.465 1.469 20 0 DDADHP CC[NH+]1CCC(N2CCCN(CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000420984077 419409872 /nfs/dbraw/zinc/40/98/72/419409872.db2.gz SEEOJLBJTJDSEM-GOSISDBHSA-N 2 3 322.541 1.963 20 0 DDADHP CC[NH+]1CCC(N2CCCN(CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000420984077 419409880 /nfs/dbraw/zinc/40/98/80/419409880.db2.gz SEEOJLBJTJDSEM-GOSISDBHSA-N 2 3 322.541 1.963 20 0 DDADHP [NH3+]CC1CCC([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000665240527 424765080 /nfs/dbraw/zinc/76/50/80/424765080.db2.gz MXPMQNMJWNQSCX-XUJQIHCRSA-N 2 3 317.477 1.860 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(CC)C[C@H]2C)CC1 ZINC000247049888 282031272 /nfs/dbraw/zinc/03/12/72/282031272.db2.gz NFFDYVNKXXKPQI-QZTJIDSGSA-N 2 3 310.530 1.724 20 0 DDADHP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H](C[NH3+])C2)CC1 ZINC000435381229 528248973 /nfs/dbraw/zinc/24/89/73/528248973.db2.gz VOTPWITUUWWSCN-KRWDZBQOSA-N 2 3 316.493 1.999 20 0 DDADHP CN1CCN(CC2(C)CC[NH+](CCCCCC[NH3+])CC2)CC1 ZINC000846221525 703252550 /nfs/dbraw/zinc/25/25/50/703252550.db2.gz ZVTKJJWQPNHMAZ-UHFFFAOYSA-N 2 3 310.530 1.855 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CN2CCC(CC[NH+](C)C)CC2)cnn1C ZINC000903885124 711316407 /nfs/dbraw/zinc/31/64/07/711316407.db2.gz DXYJWTPPVJVBRC-QGZVFWFLSA-N 2 3 321.513 1.510 20 0 DDADHP [NH3+]C1CCN(c2cccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)n2)CC1 ZINC001155586415 862258718 /nfs/dbraw/zinc/25/87/18/862258718.db2.gz RGCIZYGAFHRPCH-SNPRPXQTSA-N 2 3 301.438 1.419 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001161049676 866321541 /nfs/dbraw/zinc/32/15/41/866321541.db2.gz HKDKLYXVGBQPNM-CVEARBPZSA-N 2 3 312.502 1.423 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001161049676 866321552 /nfs/dbraw/zinc/32/15/52/866321552.db2.gz HKDKLYXVGBQPNM-CVEARBPZSA-N 2 3 312.502 1.423 20 0 DDADHP C[C@H]1CC[C@H](C[NH3+])CN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001206770834 872563976 /nfs/dbraw/zinc/56/39/76/872563976.db2.gz TUNGARMDVXNNCC-JKSUJKDBSA-N 2 3 302.466 1.655 20 0 DDADHP CCCC[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246141026 892436348 /nfs/dbraw/zinc/43/63/48/892436348.db2.gz HVHDFLZIXXJJGF-IKGGRYGDSA-N 2 3 308.514 1.761 20 0 DDADHP Cc1cc(F)ccc1[C@@H]1C[C@H](NCCO[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246368635 892576017 /nfs/dbraw/zinc/57/60/17/892576017.db2.gz ONPDVBTXJFAZTL-RYRKJORJSA-N 2 3 321.440 1.895 20 0 DDADHP CC[C@@H]1C[C@H](N2CCC(N3CC[NH2+]CC3)CC2)C[C@H](CC)[NH2+]1 ZINC001246886869 892970298 /nfs/dbraw/zinc/97/02/98/892970298.db2.gz LYIDUZNLEXCKMF-VQFNDLOPSA-N 2 3 308.514 1.665 20 0 DDADHP [NH3+]CCCCN1CCN([C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256908776 897629144 /nfs/dbraw/zinc/62/91/44/897629144.db2.gz NSJQSBNVCZBWKM-SFHVURJKSA-N 2 3 308.514 1.750 20 0 DDADHP [NH3+]CCCCN1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256908776 897629154 /nfs/dbraw/zinc/62/91/54/897629154.db2.gz NSJQSBNVCZBWKM-SFHVURJKSA-N 2 3 308.514 1.750 20 0 DDADHP C[N@@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H]2CCC[C@@H]21 ZINC000635008376 422762497 /nfs/dbraw/zinc/76/24/97/422762497.db2.gz DGDNIOHCEKIPSB-ULQDDVLXSA-N 2 3 315.465 1.776 20 0 DDADHP C[N@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H]2CCC[C@@H]21 ZINC000635008376 422762502 /nfs/dbraw/zinc/76/25/02/422762502.db2.gz DGDNIOHCEKIPSB-ULQDDVLXSA-N 2 3 315.465 1.776 20 0 DDADHP C[N@@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H]2CCC[C@H]21 ZINC000635008380 422763258 /nfs/dbraw/zinc/76/32/58/422763258.db2.gz DGDNIOHCEKIPSB-YESZJQIVSA-N 2 3 315.465 1.776 20 0 DDADHP C[N@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H]2CCC[C@H]21 ZINC000635008380 422763264 /nfs/dbraw/zinc/76/32/64/422763264.db2.gz DGDNIOHCEKIPSB-YESZJQIVSA-N 2 3 315.465 1.776 20 0 DDADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422893592 227245654 /nfs/dbraw/zinc/24/56/54/227245654.db2.gz AIKPBVNVWCUXRD-WBAXXEDZSA-N 2 3 321.465 1.469 20 0 DDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423037683 227322830 /nfs/dbraw/zinc/32/28/30/227322830.db2.gz WPPUGZPPLPLZNY-DAYGRLMNSA-N 2 3 305.466 1.859 20 0 DDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423037683 227322833 /nfs/dbraw/zinc/32/28/33/227322833.db2.gz WPPUGZPPLPLZNY-DAYGRLMNSA-N 2 3 305.466 1.859 20 0 DDADHP CCOC(=O)C1([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH2+]CC1 ZINC000422900963 419973122 /nfs/dbraw/zinc/97/31/22/419973122.db2.gz RERHIABJGPBSIM-XHSDSOJGSA-N 2 3 323.481 1.524 20 0 DDADHP CCOC(=O)C1([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]CC1 ZINC000422900963 419973126 /nfs/dbraw/zinc/97/31/26/419973126.db2.gz RERHIABJGPBSIM-XHSDSOJGSA-N 2 3 323.481 1.524 20 0 DDADHP COc1ccc([C@H](CN)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000420329370 420214267 /nfs/dbraw/zinc/21/42/67/420214267.db2.gz GMILHERFOUGPQW-MRXNPFEDSA-N 2 3 303.450 1.813 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337568 420217929 /nfs/dbraw/zinc/21/79/29/420217929.db2.gz NXCAMPFZUKWXIJ-FHWLQOOXSA-N 2 3 317.477 1.381 20 0 DDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337568 420217931 /nfs/dbraw/zinc/21/79/31/420217931.db2.gz NXCAMPFZUKWXIJ-FHWLQOOXSA-N 2 3 317.477 1.381 20 0 DDADHP NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665234079 424761889 /nfs/dbraw/zinc/76/18/89/424761889.db2.gz WVFYDPAPCYIMGR-AEFFLSMTSA-N 2 3 309.498 1.985 20 0 DDADHP CC[N@H+](CCC1CC[NH+](C[C@](C)(O)CNC)CC1)CC1CC1 ZINC000565095892 308020071 /nfs/dbraw/zinc/02/00/71/308020071.db2.gz YUBNEVLUDLBTHC-GOSISDBHSA-N 2 3 311.514 1.791 20 0 DDADHP CC[N@@H+](CCC1CC[NH+](C[C@](C)(O)CNC)CC1)CC1CC1 ZINC000565095892 308020072 /nfs/dbraw/zinc/02/00/72/308020072.db2.gz YUBNEVLUDLBTHC-GOSISDBHSA-N 2 3 311.514 1.791 20 0 DDADHP C[NH2+]Cc1ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1 ZINC001160443041 865842080 /nfs/dbraw/zinc/84/20/80/865842080.db2.gz AXIQYYOFULMMRH-INIZCTEOSA-N 2 3 306.454 1.840 20 0 DDADHP C[C@H]1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@@H]1C[NH3+] ZINC001205305883 871490634 /nfs/dbraw/zinc/49/06/34/871490634.db2.gz TXOPEPFVMNQAGI-LPHOPBHVSA-N 2 3 316.493 1.509 20 0 DDADHP Nc1cn(C(=O)[C@@H](N)CCC[NH3+])cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708597 877679358 /nfs/dbraw/zinc/67/93/58/877679358.db2.gz DPMNLTJBQYMBKS-ZDUSSCGKSA-N 2 3 317.368 1.062 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060447 879479022 /nfs/dbraw/zinc/47/90/22/879479022.db2.gz AIKPSTPPQRRYPZ-HNNXBMFYSA-N 2 3 310.417 1.177 20 0 DDADHP OC1(C[NH2+][C@@H]2CCCCNC2)CC[NH+](Cc2ccccc2)CC1 ZINC001245993635 892314196 /nfs/dbraw/zinc/31/41/96/892314196.db2.gz OECMCPKWWRLXGI-GOSISDBHSA-N 2 3 317.477 1.745 20 0 DDADHP O[C@]1(C[NH2+]CC2(Cc3ccccc3)CC[NH2+]CC2)CCCNC1 ZINC001246007938 892327532 /nfs/dbraw/zinc/32/75/32/892327532.db2.gz RAUKALKZVCDGJG-LJQANCHMSA-N 2 3 317.477 1.303 20 0 DDADHP [NH3+]CCOCCOCCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246284092 892513368 /nfs/dbraw/zinc/51/33/68/892513368.db2.gz KNBAFIGQRWYLEA-IAGOWNOFSA-N 2 3 307.438 1.061 20 0 DDADHP CCOC(=O)CC1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246327874 892540958 /nfs/dbraw/zinc/54/09/58/892540958.db2.gz VBPVIOJZKXDUQJ-RDJZCZTQSA-N 2 3 323.481 1.574 20 0 DDADHP C[C@H]1C[C@@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CCN1 ZINC001246541049 892686653 /nfs/dbraw/zinc/68/66/53/892686653.db2.gz NNNUGLSAFMDTDP-WMZOPIPTSA-N 2 3 309.498 1.951 20 0 DDADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000647789500 423048779 /nfs/dbraw/zinc/04/87/79/423048779.db2.gz GMPQJGBZQNDONK-HSFUPAIVSA-N 2 3 309.498 1.854 20 0 DDADHP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423209078 419987645 /nfs/dbraw/zinc/98/76/45/419987645.db2.gz UODAMHYCWXKHMT-IEBWSBKVSA-N 2 3 316.493 1.392 20 0 DDADHP C[C@@H](NCCN1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423209078 419987650 /nfs/dbraw/zinc/98/76/50/419987650.db2.gz UODAMHYCWXKHMT-IEBWSBKVSA-N 2 3 316.493 1.392 20 0 DDADHP C[C@@H](NCCN1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423209078 419987653 /nfs/dbraw/zinc/98/76/53/419987653.db2.gz UODAMHYCWXKHMT-IEBWSBKVSA-N 2 3 316.493 1.392 20 0 DDADHP NCc1cn([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)nn1 ZINC000647992598 423157376 /nfs/dbraw/zinc/15/73/76/423157376.db2.gz RDNVTQPFIISECX-MRXNPFEDSA-N 2 3 306.458 1.154 20 0 DDADHP NCc1cn([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)nn1 ZINC000647992598 423157381 /nfs/dbraw/zinc/15/73/81/423157381.db2.gz RDNVTQPFIISECX-MRXNPFEDSA-N 2 3 306.458 1.154 20 0 DDADHP CN1CCN(CC2(C)CC[NH+](CCC3CC[NH2+]CC3)CC2)CC1 ZINC000420370603 420243869 /nfs/dbraw/zinc/24/38/69/420243869.db2.gz JTBPATWGLAMYQN-UHFFFAOYSA-N 2 3 322.541 1.726 20 0 DDADHP c1c(C2CC[NH2+]CC2)n[nH]c1C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000662327646 424573169 /nfs/dbraw/zinc/57/31/69/424573169.db2.gz SITMBWSHUJPPHL-AWEZNQCLSA-N 2 3 317.481 1.666 20 0 DDADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCN2CC[NH2+]CC2)CC1 ZINC000414774838 290400951 /nfs/dbraw/zinc/40/09/51/290400951.db2.gz BVKQYRMSVXVDHR-HKUYNNGSSA-N 2 3 322.541 1.914 20 0 DDADHP CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422861437 529143917 /nfs/dbraw/zinc/14/39/17/529143917.db2.gz MRDHPIGCSZNURT-IPMKNSEASA-N 2 3 322.541 1.914 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)CC2)CC1 ZINC000876740433 705851602 /nfs/dbraw/zinc/85/16/02/705851602.db2.gz DEBNCQWGBBQBSA-JKSUJKDBSA-N 2 3 322.497 1.035 20 0 DDADHP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000903740768 711263726 /nfs/dbraw/zinc/26/37/26/711263726.db2.gz YPJYDFXZKNUHNR-ZACQAIPSSA-N 2 3 309.498 1.807 20 0 DDADHP CC[N@H+]1CC[C@H](N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000903740768 711263728 /nfs/dbraw/zinc/26/37/28/711263728.db2.gz YPJYDFXZKNUHNR-ZACQAIPSSA-N 2 3 309.498 1.807 20 0 DDADHP CC[NH+]1CCC(NCc2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000925808457 714940595 /nfs/dbraw/zinc/94/05/95/714940595.db2.gz KKOVQXMTNUFZME-UHFFFAOYSA-N 2 3 316.493 1.666 20 0 DDADHP N[C@@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2ccccc21 ZINC000925845079 714949332 /nfs/dbraw/zinc/94/93/32/714949332.db2.gz FBHCKODKVBIPDW-QZTJIDSGSA-N 2 3 302.466 1.796 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161217 864462447 /nfs/dbraw/zinc/46/24/47/864462447.db2.gz NULHCYYLRYVJOK-RDJZCZTQSA-N 2 3 310.486 1.227 20 0 DDADHP CC(C)[C@]1(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC001161446180 866671482 /nfs/dbraw/zinc/67/14/82/866671482.db2.gz QVWOFXTWEFUTIZ-WMZOPIPTSA-N 2 3 324.513 1.154 20 0 DDADHP C[C@@H](C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001161447897 866674504 /nfs/dbraw/zinc/67/45/04/866674504.db2.gz ZVBNZTXJEXZGJL-VQHPVUNQSA-N 2 3 324.513 1.153 20 0 DDADHP [NH3+]C1(c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cc2)CCC1 ZINC001218973240 877843463 /nfs/dbraw/zinc/84/34/63/877843463.db2.gz XZFJZQUHILGIRF-RHSMWYFYSA-N 2 3 314.433 1.162 20 0 DDADHP N[C@H](CCC[NH3+])C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221031881 879459107 /nfs/dbraw/zinc/45/91/07/879459107.db2.gz VDBFQXYSWHAWMG-CVEARBPZSA-N 2 3 322.428 1.049 20 0 DDADHP O[C@@]1(C[NH2+][C@H](c2ccccc2)C2CC[NH2+]CC2)CCCNC1 ZINC001245994422 892312117 /nfs/dbraw/zinc/31/21/17/892312117.db2.gz MWCDYOPWXPFDIF-MSOLQXFVSA-N 2 3 303.450 1.431 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CC[C@H](C)[NH2+]C3)C[C@H](C1)N2 ZINC001246101020 892415371 /nfs/dbraw/zinc/41/53/71/892415371.db2.gz UVCQIAKSWAJWPJ-SWQPNFBYSA-N 2 3 309.454 1.036 20 0 DDADHP [NH3+]CCNCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246404890 892605381 /nfs/dbraw/zinc/60/53/81/892605381.db2.gz LYLHUSVPJOIGNR-REPLKXPHSA-N 2 3 316.493 1.710 20 0 DDADHP [NH3+]CCNCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246404890 892605385 /nfs/dbraw/zinc/60/53/85/892605385.db2.gz LYLHUSVPJOIGNR-REPLKXPHSA-N 2 3 316.493 1.710 20 0 DDADHP CC[C@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246430214 892618935 /nfs/dbraw/zinc/61/89/35/892618935.db2.gz XIQMBNLUAOLMHA-JKSUJKDBSA-N 2 3 302.466 1.823 20 0 DDADHP CC[C@@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246615222 892738061 /nfs/dbraw/zinc/73/80/61/892738061.db2.gz QWONGBDCPXAVGI-BJWYYQGGSA-N 2 3 309.498 1.998 20 0 DDADHP CN1CCC[C@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC1 ZINC001254508401 896468523 /nfs/dbraw/zinc/46/85/23/896468523.db2.gz QSGCVVBUAVXEKB-UONOGXRCSA-N 2 3 314.474 1.650 20 0 DDADHP CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000647794249 423050994 /nfs/dbraw/zinc/05/09/94/423050994.db2.gz VWLHSVICIPPNOY-IXDOHACOSA-N 2 3 318.465 1.500 20 0 DDADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000647789501 423048379 /nfs/dbraw/zinc/04/83/79/423048379.db2.gz GMPQJGBZQNDONK-MDMSPXHWSA-N 2 3 309.498 1.854 20 0 DDADHP C[NH2+]CCC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000572121563 308212270 /nfs/dbraw/zinc/21/22/70/308212270.db2.gz BUKUFGOPJFGVJR-UHFFFAOYSA-N 2 3 310.530 1.724 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000583028608 337230721 /nfs/dbraw/zinc/23/07/21/337230721.db2.gz SIVWRJFEQBCAKL-KSZLIROESA-N 2 3 308.514 1.476 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000583028608 337230722 /nfs/dbraw/zinc/23/07/22/337230722.db2.gz SIVWRJFEQBCAKL-KSZLIROESA-N 2 3 308.514 1.476 20 0 DDADHP C[C@@H]1CC2(CN1Cc1cnnn1[C@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC000903930006 711337364 /nfs/dbraw/zinc/33/73/64/711337364.db2.gz PZFLSAGOHSAENU-CABCVRRESA-N 2 3 318.469 1.167 20 0 DDADHP [NH3+]C[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C(F)(F)F ZINC000923428606 714352589 /nfs/dbraw/zinc/35/25/89/714352589.db2.gz YEDSSNLCUSBZSN-ZVLQPQRZSA-N 2 3 305.388 1.976 20 0 DDADHP CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926678976 715112090 /nfs/dbraw/zinc/11/20/90/715112090.db2.gz VPWAHKRFCBJZIH-JJTKIYQPSA-N 2 3 321.509 1.807 20 0 DDADHP CN(C)CCN(C(=O)CC1(C[NH3+])CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001161444369 866672681 /nfs/dbraw/zinc/67/26/81/866672681.db2.gz GSVXSLVVVYFDCG-INIZCTEOSA-N 2 3 324.513 1.428 20 0 DDADHP c1ccc2c(c1)C[NH2+]CC21CC[NH+](CC[C@@H]2CNCCO2)CC1 ZINC001235086206 888402827 /nfs/dbraw/zinc/40/28/27/888402827.db2.gz IWFFGMMHUOSIAJ-QGZVFWFLSA-N 2 3 315.461 1.502 20 0 DDADHP [NH3+]C1([C@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@H]2CF)CC1 ZINC001235395484 888609949 /nfs/dbraw/zinc/60/99/49/888609949.db2.gz GGDHNZFQCLVFMC-OCCSQVGLSA-N 2 3 309.454 1.903 20 0 DDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235774671 888939597 /nfs/dbraw/zinc/93/95/97/888939597.db2.gz CUWJFYDNRVVPRB-YQQQUEKLSA-N 2 3 314.477 1.546 20 0 DDADHP O[C@]1(CNCC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245995538 892311755 /nfs/dbraw/zinc/31/17/55/892311755.db2.gz IRBYBVKTBUJBNG-GOSISDBHSA-N 2 3 321.440 1.052 20 0 DDADHP c1ccc(C2(CN[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)nc1 ZINC001246428040 892619622 /nfs/dbraw/zinc/61/96/22/892619622.db2.gz OKGLJPXAVWWURQ-MUJYYYPQSA-N 2 3 300.450 1.575 20 0 DDADHP Fc1cccc(C2([NH2+][C@@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246438480 892624615 /nfs/dbraw/zinc/62/46/15/892624615.db2.gz QFFIQPMJPCUWFO-MRXNPFEDSA-N 2 3 319.424 1.515 20 0 DDADHP CC(C)[C@H]1C[C@@H](N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CC[NH2+]1 ZINC001246492928 892655138 /nfs/dbraw/zinc/65/51/38/892655138.db2.gz FICJQGGBCJGPLN-FUHWJXTLSA-N 2 3 304.482 1.805 20 0 DDADHP CCCC[C@@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246610479 892733596 /nfs/dbraw/zinc/73/35/96/892733596.db2.gz AIYMPHKMNOBEEO-IAGOWNOFSA-N 2 3 309.498 1.999 20 0 DDADHP C1CC2(C[C@H]1N1CCOC[C@]3(CCC[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246648380 892766471 /nfs/dbraw/zinc/76/64/71/892766471.db2.gz XXFCNMFTDFKBRP-WMZOPIPTSA-N 2 3 307.482 1.611 20 0 DDADHP C1CC2(C[C@H]1[N@@H+]1CCOC[C@]3(CCCNC3)C1)CC[NH2+]CC2 ZINC001246648380 892766474 /nfs/dbraw/zinc/76/64/74/892766474.db2.gz XXFCNMFTDFKBRP-WMZOPIPTSA-N 2 3 307.482 1.611 20 0 DDADHP C1CC2(C[C@H]1[N@H+]1CCOC[C@]3(CCCNC3)C1)CC[NH2+]CC2 ZINC001246648380 892766481 /nfs/dbraw/zinc/76/64/81/892766481.db2.gz XXFCNMFTDFKBRP-WMZOPIPTSA-N 2 3 307.482 1.611 20 0 DDADHP COC(=O)[C@@H]1C[C@@H](N)C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246797952 892905534 /nfs/dbraw/zinc/90/55/34/892905534.db2.gz QOTRDOATSCMCPN-ZIAGYGMSSA-N 2 3 309.454 1.121 20 0 DDADHP COC(=O)[C@@H]1C[C@@H](N)C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246797952 892905542 /nfs/dbraw/zinc/90/55/42/892905542.db2.gz QOTRDOATSCMCPN-ZIAGYGMSSA-N 2 3 309.454 1.121 20 0 DDADHP C[NH+]1CCC(CN2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC001246944963 893007624 /nfs/dbraw/zinc/00/76/24/893007624.db2.gz DMBQQGXTYBMUAV-JWTNVVGKSA-N 2 3 306.498 1.229 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000635007671 422762625 /nfs/dbraw/zinc/76/26/25/422762625.db2.gz GBDHSCAXUGMOAN-LSDHHAIUSA-N 2 3 301.438 1.530 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000635007671 422762633 /nfs/dbraw/zinc/76/26/33/422762633.db2.gz GBDHSCAXUGMOAN-LSDHHAIUSA-N 2 3 301.438 1.530 20 0 DDADHP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCC([NH+](C)C)CC1 ZINC000422814790 532993637 /nfs/dbraw/zinc/99/36/37/532993637.db2.gz AFJWNNCEECGALE-APWZRJJASA-N 2 3 318.509 1.561 20 0 DDADHP C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000675871736 486057298 /nfs/dbraw/zinc/05/72/98/486057298.db2.gz AFZWBJYVJSVUPM-WBVHZDCISA-N 2 3 308.514 1.475 20 0 DDADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000423032827 533848888 /nfs/dbraw/zinc/84/88/88/533848888.db2.gz NEPWEBNEIWIILT-CRAIPNDOSA-N 2 3 305.466 1.860 20 0 DDADHP CC(C)[NH+]1CCN(CCCN2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000880473778 706984605 /nfs/dbraw/zinc/98/46/05/706984605.db2.gz NVHREVJJPQHWPI-UHFFFAOYSA-N 2 3 322.541 1.963 20 0 DDADHP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000904377749 711849268 /nfs/dbraw/zinc/84/92/68/711849268.db2.gz XZCRYSWRKXCZMW-AEIGPULVSA-N 2 3 307.413 1.607 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925530361 714881666 /nfs/dbraw/zinc/88/16/66/714881666.db2.gz KBASCVADKYSANT-RBUKOAKNSA-N 2 3 322.541 1.770 20 0 DDADHP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)[C@@H]2CCCN[C@@H]21 ZINC000925608636 714898605 /nfs/dbraw/zinc/89/86/05/714898605.db2.gz GMAAQJLGVQFKQU-NXOAAHMSSA-N 2 3 309.498 1.590 20 0 DDADHP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)[C@@H]2CCCN[C@@H]21 ZINC000925608636 714898607 /nfs/dbraw/zinc/89/86/07/714898607.db2.gz GMAAQJLGVQFKQU-NXOAAHMSSA-N 2 3 309.498 1.590 20 0 DDADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000925717306 714920407 /nfs/dbraw/zinc/92/04/07/714920407.db2.gz SLGUHUPQVPXVBD-JCECYMMASA-N 2 3 307.482 1.450 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219951815 878615913 /nfs/dbraw/zinc/61/59/13/878615913.db2.gz COWOYTLEFBGADV-INIZCTEOSA-N 2 3 312.502 1.474 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161619 878763345 /nfs/dbraw/zinc/76/33/45/878763345.db2.gz DKTJTHSMXJIVGQ-HLLBOEOZSA-N 2 3 310.486 1.084 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC2(C1)CC[NH2+]CC2 ZINC001245987977 892310355 /nfs/dbraw/zinc/31/03/55/892310355.db2.gz SVUYIAXUONPRCW-DLBZAZTESA-N 2 3 303.450 1.039 20 0 DDADHP C1CC2(C1)C[C@@H]([NH2+]C1CCN(C3CC[NH2+]CC3)CC1)CCN2 ZINC001246138774 892435149 /nfs/dbraw/zinc/43/51/49/892435149.db2.gz ORGWQZBYOYHYAR-INIZCTEOSA-N 2 3 306.498 1.467 20 0 DDADHP C([NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246153957 892449034 /nfs/dbraw/zinc/44/90/34/892449034.db2.gz SUHIKEBEJGGLEJ-BDXSIMOUSA-N 2 3 307.482 1.657 20 0 DDADHP c1ccc(CC2([NH2+]C3CCC4(C[NH2+]C4)CC3)CCNCC2)nc1 ZINC001246371692 892581272 /nfs/dbraw/zinc/58/12/72/892581272.db2.gz OGZBYUMGZOETGI-UHFFFAOYSA-N 2 3 314.477 1.868 20 0 DDADHP [NH3+]C1(c2cccc(F)c2)CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246387353 892592240 /nfs/dbraw/zinc/59/22/40/892592240.db2.gz LCNWQLGDXLHBGB-MRXNPFEDSA-N 2 3 318.440 1.170 20 0 DDADHP NC1(c2cccc(F)c2)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246387353 892592245 /nfs/dbraw/zinc/59/22/45/892592245.db2.gz LCNWQLGDXLHBGB-MRXNPFEDSA-N 2 3 318.440 1.170 20 0 DDADHP c1cc(N2CCC(N3CCN[C@H]4CC[NH2+]CC[C@@H]43)CC2)cc[nH+]1 ZINC001246618574 892739377 /nfs/dbraw/zinc/73/93/77/892739377.db2.gz MQBJBACGOAFIRG-ROUUACIJSA-N 2 3 315.465 1.076 20 0 DDADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246932101 892998561 /nfs/dbraw/zinc/99/85/61/892998561.db2.gz DPQRQCQCHMTLCE-WBVHZDCISA-N 2 3 307.482 1.752 20 0 DDADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246932101 892998564 /nfs/dbraw/zinc/99/85/64/892998564.db2.gz DPQRQCQCHMTLCE-WBVHZDCISA-N 2 3 307.482 1.752 20 0 DDADHP CN(CC[NH3+])CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC001258135755 898081495 /nfs/dbraw/zinc/08/14/95/898081495.db2.gz CDYILAJQQAMUBO-UHFFFAOYSA-N 2 3 304.482 1.174 20 0 DDADHP CC(C)N1CCN(CCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000420343047 420223282 /nfs/dbraw/zinc/22/32/82/420223282.db2.gz YJAPEOFEDOWIEL-LJQANCHMSA-N 2 3 322.541 1.867 20 0 DDADHP C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000580902718 421862827 /nfs/dbraw/zinc/86/28/27/421862827.db2.gz MYHRRVFLLIZELP-IAGOWNOFSA-N 2 3 318.465 1.338 20 0 DDADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CC12CC[NH2+]CC2 ZINC000643535351 423193000 /nfs/dbraw/zinc/19/30/00/423193000.db2.gz CEDPQHYOHLVGHJ-VDZJLULYSA-N 2 3 313.445 1.974 20 0 DDADHP C[C@@H]1C[C@H](C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC[NH2+]1 ZINC000873215610 707772420 /nfs/dbraw/zinc/77/24/20/707772420.db2.gz DWICIIKSFJKZBP-UKRRQHHQSA-N 2 3 314.437 1.204 20 0 DDADHP N[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2ccccc21 ZINC000873292388 707800428 /nfs/dbraw/zinc/80/04/28/707800428.db2.gz AUKLVTZKKGAHMZ-XKQJLSEDSA-N 2 3 301.434 1.880 20 0 DDADHP Cc1c(C[C@@H](CN)C[NH2+]C2CCC(C)([NH+](C)C)CC2)cnn1C ZINC000903937357 711341541 /nfs/dbraw/zinc/34/15/41/711341541.db2.gz IYCIRWYFKGTUCX-ZLPCBKJTSA-N 2 3 321.513 1.698 20 0 DDADHP C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925118572 714752313 /nfs/dbraw/zinc/75/23/13/714752313.db2.gz TWPMQZSNXLZCOO-OAHLLOKOSA-N 2 3 305.466 1.856 20 0 DDADHP C[NH+](C)CCN1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925608159 714898883 /nfs/dbraw/zinc/89/88/83/714898883.db2.gz ZVGQRSYRGGKDNS-OALUTQOASA-N 2 3 322.541 1.770 20 0 DDADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925609279 714899030 /nfs/dbraw/zinc/89/90/30/714899030.db2.gz RSIQGTHDOXSMSC-IPMKNSEASA-N 2 3 323.525 1.981 20 0 DDADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925609279 714899031 /nfs/dbraw/zinc/89/90/31/714899031.db2.gz RSIQGTHDOXSMSC-IPMKNSEASA-N 2 3 323.525 1.981 20 0 DDADHP CC(C)[C@@]1(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC001161446179 866670073 /nfs/dbraw/zinc/67/00/73/866670073.db2.gz QVWOFXTWEFUTIZ-SJLPKXTDSA-N 2 3 324.513 1.154 20 0 DDADHP C[C@H]1CN(Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@H]1C[NH3+] ZINC001205140201 871390386 /nfs/dbraw/zinc/39/03/86/871390386.db2.gz CMDVDVFUWYFTLN-MAUKXSAKSA-N 2 3 302.466 1.118 20 0 DDADHP CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCCC[NH3+])CC2)C1 ZINC001235343038 888572976 /nfs/dbraw/zinc/57/29/76/888572976.db2.gz PXRYGTAFSCNLNG-OAHLLOKOSA-N 2 3 311.470 1.465 20 0 DDADHP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CCCC[NH3+])CC2)C1 ZINC001235343038 888572984 /nfs/dbraw/zinc/57/29/84/888572984.db2.gz PXRYGTAFSCNLNG-OAHLLOKOSA-N 2 3 311.470 1.465 20 0 DDADHP C(NC1CCC2(CC[NH2+]CC2)CC1)c1nnn2c1C[NH2+]CCC2 ZINC001246136350 892432864 /nfs/dbraw/zinc/43/28/64/892432864.db2.gz WJQFRLFERVDOMK-UHFFFAOYSA-N 2 3 318.469 1.173 20 0 DDADHP C(C[C@@H]1CCOC12CC[NH2+]CC2)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246143125 892438563 /nfs/dbraw/zinc/43/85/63/892438563.db2.gz TUEKPVHTXWMDOT-WCXIOVBPSA-N 2 3 307.482 1.798 20 0 DDADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CCN1 ZINC001246296162 892521164 /nfs/dbraw/zinc/52/11/64/892521164.db2.gz YLRIAPONWMLIDZ-CRAIPNDOSA-N 2 3 309.498 1.855 20 0 DDADHP Fc1cccc(C2([NH2+][C@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246438478 892623694 /nfs/dbraw/zinc/62/36/94/892623694.db2.gz QFFIQPMJPCUWFO-INIZCTEOSA-N 2 3 319.424 1.515 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCC[C@@H](N3CC(C[NH3+])C3)C2)CC[NH2+]1 ZINC001246871889 892959581 /nfs/dbraw/zinc/95/95/81/892959581.db2.gz OKBNMEYRUAKEHC-BBWFWOEESA-N 2 3 308.514 1.508 20 0 DDADHP C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246993523 893063843 /nfs/dbraw/zinc/06/38/43/893063843.db2.gz NWQUESGTCDPKDT-SFHVURJKSA-N 2 3 320.525 1.809 20 0 DDADHP C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246993523 893063858 /nfs/dbraw/zinc/06/38/58/893063858.db2.gz NWQUESGTCDPKDT-SFHVURJKSA-N 2 3 320.525 1.809 20 0 DDADHP CC(C)[C@H](C[NH3+])CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000634996260 422755701 /nfs/dbraw/zinc/75/57/01/422755701.db2.gz DWROJJKMAKXUNG-GOSISDBHSA-N 2 3 318.509 1.800 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000154484730 408041953 /nfs/dbraw/zinc/04/19/53/408041953.db2.gz OANMFOFUODBEMF-OKZBNKHCSA-N 2 3 310.530 1.722 20 0 DDADHP C[NH2+]CCOCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000629392448 422648415 /nfs/dbraw/zinc/64/84/15/422648415.db2.gz OBJVWIIFAXLCQU-UHFFFAOYSA-N 2 3 305.466 1.519 20 0 DDADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422893590 289783603 /nfs/dbraw/zinc/78/36/03/289783603.db2.gz AIKPBVNVWCUXRD-JCGIZDLHSA-N 2 3 321.465 1.469 20 0 DDADHP [NH3+]C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC12CCOCC2 ZINC000570456159 308170645 /nfs/dbraw/zinc/17/06/45/308170645.db2.gz MILHKJDNHRQYOV-GOSISDBHSA-N 2 3 315.461 1.520 20 0 DDADHP C[C@@H]1C[C@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000414755455 533844351 /nfs/dbraw/zinc/84/43/51/533844351.db2.gz PEOQMVVBEKMFKD-QZTJIDSGSA-N 2 3 322.541 1.724 20 0 DDADHP CC(C)C[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(=O)NCCN(C)C ZINC000423031677 528569503 /nfs/dbraw/zinc/56/95/03/528569503.db2.gz VDTPJRKDTWLAGW-GPANFISMSA-N 2 3 312.502 1.186 20 0 DDADHP CC1(C)[C@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925728712 714922741 /nfs/dbraw/zinc/92/27/41/714922741.db2.gz GTBBYNPHEJGJSN-LVQVYYBASA-N 2 3 307.482 1.511 20 0 DDADHP N[C@@H](CCC[NH3+])Nc1ccc([C@@]23CC[NH2+][C@H]2COCC3)cc1 ZINC001170900038 771898822 /nfs/dbraw/zinc/89/88/22/771898822.db2.gz OKFUVZGQTKONPK-BBWFWOEESA-N 2 3 304.438 1.142 20 0 DDADHP CC[NH+](CC)CCCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207398762 873235199 /nfs/dbraw/zinc/23/51/99/873235199.db2.gz NLZYNLUFKXHBIX-UHFFFAOYSA-N 2 3 310.530 1.678 20 0 DDADHP C[NH+]1C(C)(C)CC(NC(=O)[C@H](N)C2CC[NH2+]CC2)CC1(C)C ZINC001220511413 879072930 /nfs/dbraw/zinc/07/29/30/879072930.db2.gz WKSCIRSYDJHGCZ-CQSZACIVSA-N 2 3 310.486 1.081 20 0 DDADHP CC(C)[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246180804 892466915 /nfs/dbraw/zinc/46/69/15/892466915.db2.gz PSJCYCVSPMRXEP-ULQDDVLXSA-N 2 3 309.498 1.901 20 0 DDADHP c1ccc(C2([NH2+][C@@H]3CSC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246427037 892619675 /nfs/dbraw/zinc/61/96/75/892619675.db2.gz BFAXUGPZIXTPBT-HNNXBMFYSA-N 2 3 303.475 1.702 20 0 DDADHP CC(C)(C)[C@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246616300 892741024 /nfs/dbraw/zinc/74/10/24/892741024.db2.gz VHVZBERFOJYTDV-JKSUJKDBSA-N 2 3 309.498 1.855 20 0 DDADHP FC1(F)CC[NH2+]C[C@@]12CCN([C@@H]1CSC3(C[NH2+]C3)C1)C2 ZINC001246640281 892762030 /nfs/dbraw/zinc/76/20/30/892762030.db2.gz RNXANZZMGVBMDG-NWDGAFQWSA-N 2 3 303.422 1.155 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246972611 893039215 /nfs/dbraw/zinc/03/92/15/893039215.db2.gz DAXJOFLWFCBUNR-BBWFWOEESA-N 2 3 308.514 1.651 20 0 DDADHP CC(C)CC[NH+]1CCC(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629567303 422737972 /nfs/dbraw/zinc/73/79/72/422737972.db2.gz JSIRICDCVKZXDE-GOSISDBHSA-N 2 3 311.514 1.791 20 0 DDADHP CC[N@@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H](C)C1 ZINC000635008791 422764251 /nfs/dbraw/zinc/76/42/51/422764251.db2.gz KPZZDPAJZQKDNE-HOCLYGCPSA-N 2 3 303.454 1.633 20 0 DDADHP CC[N@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H](C)C1 ZINC000635008791 422764256 /nfs/dbraw/zinc/76/42/56/422764256.db2.gz KPZZDPAJZQKDNE-HOCLYGCPSA-N 2 3 303.454 1.633 20 0 DDADHP C[C@@H](CCC[NH3+])[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000422849937 227218060 /nfs/dbraw/zinc/21/80/60/227218060.db2.gz VHHHJFVCZWMPEE-INIZCTEOSA-N 2 3 305.470 1.311 20 0 DDADHP [NH3+][C@@H]1C[C@@H](NCCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000422977414 227292794 /nfs/dbraw/zinc/29/27/94/227292794.db2.gz KBDWKMYZIXMWOQ-ZTFGCOKTSA-N 2 3 303.450 1.958 20 0 DDADHP [NH3+][C@@H]1C[C@@H](NCCCC[N@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000422977414 227292796 /nfs/dbraw/zinc/29/27/96/227292796.db2.gz KBDWKMYZIXMWOQ-ZTFGCOKTSA-N 2 3 303.450 1.958 20 0 DDADHP C[C@@H](NCCOCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629539602 422716872 /nfs/dbraw/zinc/71/68/72/422716872.db2.gz QMJRZZIUFQYFDI-AEFFLSMTSA-N 2 3 305.466 1.852 20 0 DDADHP C[C@@H](NCCOCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629539602 422716878 /nfs/dbraw/zinc/71/68/78/422716878.db2.gz QMJRZZIUFQYFDI-AEFFLSMTSA-N 2 3 305.466 1.852 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665239233 424764172 /nfs/dbraw/zinc/76/41/72/424764172.db2.gz OKFYJZQHNZWUHF-ATZDWAIDSA-N 2 3 317.477 1.731 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000665239233 424764173 /nfs/dbraw/zinc/76/41/73/424764173.db2.gz OKFYJZQHNZWUHF-ATZDWAIDSA-N 2 3 317.477 1.731 20 0 DDADHP CCN1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422871110 529151955 /nfs/dbraw/zinc/15/19/55/529151955.db2.gz ZULIIZDCWAPBPW-BRSBDYLESA-N 2 3 308.514 1.523 20 0 DDADHP C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)C[NH+]1CCCCC1 ZINC000903507074 711157921 /nfs/dbraw/zinc/15/79/21/711157921.db2.gz MGFIASQFROLSDE-KDURUIRLSA-N 2 3 320.525 1.763 20 0 DDADHP C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)C[NH+]1CCCCC1 ZINC000903507074 711157925 /nfs/dbraw/zinc/15/79/25/711157925.db2.gz MGFIASQFROLSDE-KDURUIRLSA-N 2 3 320.525 1.763 20 0 DDADHP C[C@@H]1C[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)CC[N@@H+]1C ZINC000925810059 714941017 /nfs/dbraw/zinc/94/10/17/714941017.db2.gz UZTXMDSQCONZRN-VQIMIIECSA-N 2 3 316.493 1.664 20 0 DDADHP C[C@@H]1C[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)CC[N@H+]1C ZINC000925810059 714941019 /nfs/dbraw/zinc/94/10/19/714941019.db2.gz UZTXMDSQCONZRN-VQIMIIECSA-N 2 3 316.493 1.664 20 0 DDADHP C[C@H]1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1C[NH3+] ZINC001205305159 871490479 /nfs/dbraw/zinc/49/04/79/871490479.db2.gz RGVKWXOIGQBZOE-DOTOQJQBSA-N 2 3 302.466 1.513 20 0 DDADHP C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001206767613 872561217 /nfs/dbraw/zinc/56/12/17/872561217.db2.gz CNMNEDTUKOZFKY-APWZRJJASA-N 2 3 316.493 1.651 20 0 DDADHP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221372048 879721595 /nfs/dbraw/zinc/72/15/95/879721595.db2.gz KQRMVWCNBIREDS-CQSZACIVSA-N 2 3 310.486 1.275 20 0 DDADHP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221372048 879721599 /nfs/dbraw/zinc/72/15/99/879721599.db2.gz KQRMVWCNBIREDS-CQSZACIVSA-N 2 3 310.486 1.275 20 0 DDADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC001235365242 888590450 /nfs/dbraw/zinc/59/04/50/888590450.db2.gz NJJADGXXXDTVNS-SWBPCFCJSA-N 2 3 311.473 1.705 20 0 DDADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC001235365242 888590463 /nfs/dbraw/zinc/59/04/63/888590463.db2.gz NJJADGXXXDTVNS-SWBPCFCJSA-N 2 3 311.473 1.705 20 0 DDADHP [NH3+][C@@H]1CCN(C2CCN(Cc3cc4c(s3)C[NH2+]CC4)CC2)C1 ZINC001236624149 889278867 /nfs/dbraw/zinc/27/88/67/889278867.db2.gz ZLOIJJGSIHQQDG-CQSZACIVSA-N 2 3 320.506 1.391 20 0 DDADHP C(C[C@H]1CCOC12CC[NH2+]CC2)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246138939 892436617 /nfs/dbraw/zinc/43/66/17/892436617.db2.gz LLTDLPAKYIUJIM-HOTGVXAUSA-N 2 3 307.482 1.800 20 0 DDADHP CCOC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)C1CC[NH2+]CC1 ZINC001246226471 892488300 /nfs/dbraw/zinc/48/83/00/892488300.db2.gz HRQHZWQZTHSMRD-YYIAUSFCSA-N 2 3 323.481 1.571 20 0 DDADHP c1ccc(CC2([NH2+][C@H]3CCC4(C[NH2+]C4)C3)CCNCC2)nc1 ZINC001246367348 892576666 /nfs/dbraw/zinc/57/66/66/892576666.db2.gz AKZKBVJCVCEFOL-INIZCTEOSA-N 2 3 300.450 1.478 20 0 DDADHP c1ccc(CC2([NH2+][C@@H]3CSC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246467896 892642878 /nfs/dbraw/zinc/64/28/78/892642878.db2.gz WCRPZIJMROGXSP-INIZCTEOSA-N 2 3 317.502 1.788 20 0 DDADHP c1ccc(CC2(N[C@@H]3CSC4(C[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246467896 892642885 /nfs/dbraw/zinc/64/28/85/892642885.db2.gz WCRPZIJMROGXSP-INIZCTEOSA-N 2 3 317.502 1.788 20 0 DDADHP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC(N1CCNC3(CC[NH2+]CC3)C1)C2 ZINC001246601206 892724910 /nfs/dbraw/zinc/72/49/10/892724910.db2.gz IQZMFKRVKZAFQM-JWTNVVGKSA-N 2 3 318.509 1.419 20 0 DDADHP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCNC3(CC[NH2+]CC3)C1)C2 ZINC001246601206 892724920 /nfs/dbraw/zinc/72/49/20/892724920.db2.gz IQZMFKRVKZAFQM-JWTNVVGKSA-N 2 3 318.509 1.419 20 0 DDADHP [NH2+]=C(NCCCC[NH3+])NC1CCN(Cc2ccccc2)CC1 ZINC001256597981 897498549 /nfs/dbraw/zinc/49/85/49/897498549.db2.gz CDPIBMIRWNARBG-UHFFFAOYSA-N 2 3 303.454 1.504 20 0 DDADHP CCN1CCN(CCCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000154545284 539206662 /nfs/dbraw/zinc/20/66/62/539206662.db2.gz GTOIRJDXODENRY-KRWDZBQOSA-N 2 3 310.530 1.724 20 0 DDADHP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000422983500 296544834 /nfs/dbraw/zinc/54/48/34/296544834.db2.gz ZSOBUKYPGSALGJ-RCCFBDPRSA-N 2 3 309.498 1.591 20 0 DDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422913977 227257780 /nfs/dbraw/zinc/25/77/80/227257780.db2.gz RHPZDILZWKOELU-KBPBESRZSA-N 2 3 306.454 1.193 20 0 DDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000422912849 419974984 /nfs/dbraw/zinc/97/49/84/419974984.db2.gz XAUVEUBUXFYELL-AWEZNQCLSA-N 2 3 306.454 1.195 20 0 DDADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@]2(C)CCCNC2)CC[NH2+]CC1 ZINC000423347676 420022865 /nfs/dbraw/zinc/02/28/65/420022865.db2.gz RRCQNZBUQMNNIV-GDBMZVCRSA-N 2 3 311.470 1.287 20 0 DDADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292383 707800725 /nfs/dbraw/zinc/80/07/25/707800725.db2.gz ASRYOVJHOYNAIM-XJKSGUPXSA-N 2 3 318.465 1.658 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CNCc2ccc([C@H](C)[NH3+])cc2)cnn1C ZINC000903915900 711329892 /nfs/dbraw/zinc/32/98/92/711329892.db2.gz DGQRDFDNPCWXTE-XJKSGUPXSA-N 2 3 315.465 1.655 20 0 DDADHP [NH3+]Cc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000904356291 711846036 /nfs/dbraw/zinc/84/60/36/711846036.db2.gz VFJZXCIJHTXLJQ-AWEZNQCLSA-N 2 3 316.371 1.071 20 0 DDADHP C[NH+]1CCC(c2ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc2)CC1 ZINC001218822532 877752699 /nfs/dbraw/zinc/75/26/99/877752699.db2.gz MDDBGQBEXHAUAY-KRWDZBQOSA-N 2 3 318.465 1.891 20 0 DDADHP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221372044 879721750 /nfs/dbraw/zinc/72/17/50/879721750.db2.gz KQRMVWCNBIREDS-AWEZNQCLSA-N 2 3 310.486 1.275 20 0 DDADHP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221372044 879721759 /nfs/dbraw/zinc/72/17/59/879721759.db2.gz KQRMVWCNBIREDS-AWEZNQCLSA-N 2 3 310.486 1.275 20 0 DDADHP C[NH+](C)CC[C@@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246178282 892464251 /nfs/dbraw/zinc/46/42/51/892464251.db2.gz NRKSGGCZEYCDBY-IAGOWNOFSA-N 2 3 302.466 1.363 20 0 DDADHP C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246414234 892612031 /nfs/dbraw/zinc/61/20/31/892612031.db2.gz MMRHDDUYQBOVHG-NVXWUHKLSA-N 2 3 302.466 1.724 20 0 DDADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246414236 892612949 /nfs/dbraw/zinc/61/29/49/892612949.db2.gz MMRHDDUYQBOVHG-WBVHZDCISA-N 2 3 302.466 1.724 20 0 DDADHP C([C@@H]1CCCNC1)[N@H+](C1CC1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246971332 893035390 /nfs/dbraw/zinc/03/53/90/893035390.db2.gz FUIXUGBUYXIQKW-FAEJEUNOSA-N 2 3 307.482 1.752 20 0 DDADHP C([C@@H]1CCCNC1)[N@@H+](C1CC1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246971332 893035412 /nfs/dbraw/zinc/03/54/12/893035412.db2.gz FUIXUGBUYXIQKW-FAEJEUNOSA-N 2 3 307.482 1.752 20 0 DDADHP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CCC12C[NH2+]C2 ZINC001247004446 893075402 /nfs/dbraw/zinc/07/54/02/893075402.db2.gz CEJQQVOGAOUNED-JJXSEGSLSA-N 2 3 321.465 1.134 20 0 DDADHP CCOC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CCC12C[NH2+]C2 ZINC001247004446 893075426 /nfs/dbraw/zinc/07/54/26/893075426.db2.gz CEJQQVOGAOUNED-JJXSEGSLSA-N 2 3 321.465 1.134 20 0 DDADHP CCOC(=O)[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247004446 893075448 /nfs/dbraw/zinc/07/54/48/893075448.db2.gz CEJQQVOGAOUNED-JJXSEGSLSA-N 2 3 321.465 1.134 20 0 DDADHP CN1CCC[C@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC1 ZINC001254508396 896468648 /nfs/dbraw/zinc/46/86/48/896468648.db2.gz QSGCVVBUAVXEKB-KBPBESRZSA-N 2 3 314.474 1.650 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000154484932 408040386 /nfs/dbraw/zinc/04/03/86/408040386.db2.gz OANMFOFUODBEMF-RCCFBDPRSA-N 2 3 310.530 1.722 20 0 DDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443062679 420740334 /nfs/dbraw/zinc/74/03/34/420740334.db2.gz UYJMHMOPTNVGKW-HNNXBMFYSA-N 2 3 310.486 1.036 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC(N[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000665289193 424775033 /nfs/dbraw/zinc/77/50/33/424775033.db2.gz INRRAVNJNLDFOX-ZBFHGGJFSA-N 2 3 310.486 1.097 20 0 DDADHP CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903778520 711277063 /nfs/dbraw/zinc/27/70/63/711277063.db2.gz NVJQTUVGSGXQMT-CRAIPNDOSA-N 2 3 309.498 1.842 20 0 DDADHP CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903778520 711277066 /nfs/dbraw/zinc/27/70/66/711277066.db2.gz NVJQTUVGSGXQMT-CRAIPNDOSA-N 2 3 309.498 1.842 20 0 DDADHP CN1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000925847015 714950100 /nfs/dbraw/zinc/95/01/00/714950100.db2.gz QJXOZYUTSMMTMR-FGTMMUONSA-N 2 3 308.514 1.524 20 0 DDADHP C[N@@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H]2CCC[C@@H]21 ZINC000925848620 714950562 /nfs/dbraw/zinc/95/05/62/714950562.db2.gz BQSNSVLEBLGYPW-FZKCQIBNSA-N 2 3 321.465 1.134 20 0 DDADHP C[N@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@H]2CCC[C@@H]21 ZINC000925848620 714950563 /nfs/dbraw/zinc/95/05/63/714950563.db2.gz BQSNSVLEBLGYPW-FZKCQIBNSA-N 2 3 321.465 1.134 20 0 DDADHP CN1C(C)(C)CC([NH2+]CC2CC[NH+](CCO)CC2)CC1(C)C ZINC001171622901 776374979 /nfs/dbraw/zinc/37/49/79/776374979.db2.gz BVZXEGNAWIGMIY-UHFFFAOYSA-N 2 3 311.514 1.932 20 0 DDADHP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206163890 776741669 /nfs/dbraw/zinc/74/16/69/776741669.db2.gz HCYNFGWYOKFOQV-IRXDYDNUSA-N 2 3 309.429 1.888 20 0 DDADHP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206163890 776741672 /nfs/dbraw/zinc/74/16/72/776741672.db2.gz HCYNFGWYOKFOQV-IRXDYDNUSA-N 2 3 309.429 1.888 20 0 DDADHP CC1(C)C[NH2+]C[C@H](CNc2cccc(N3CCC([NH3+])CC3)n2)O1 ZINC001161955685 867139107 /nfs/dbraw/zinc/13/91/07/867139107.db2.gz GVVMMBZKNXUJQQ-CQSZACIVSA-N 2 3 319.453 1.188 20 0 DDADHP c1cc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(CN2CC[NH2+]CC2)c1 ZINC001235941034 889026851 /nfs/dbraw/zinc/02/68/51/889026851.db2.gz UMIGSFPNAQOEQJ-RTBURBONSA-N 2 3 314.477 1.133 20 0 DDADHP C[C@@H](CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246079134 892403624 /nfs/dbraw/zinc/40/36/24/892403624.db2.gz JEIJGOMSZTZQPG-CGTJXYLNSA-N 2 3 302.466 1.363 20 0 DDADHP CCOC(=O)C1(C[NH2+][C@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC001246320251 892538556 /nfs/dbraw/zinc/53/85/56/892538556.db2.gz PUFHEIOSPDTXFI-AWEZNQCLSA-N 2 3 309.454 1.184 20 0 DDADHP CCOC(=O)CC1([NH2+]C2CCC3(C[NH2+]C3)CC2)CCNCC1 ZINC001246322525 892539230 /nfs/dbraw/zinc/53/92/30/892539230.db2.gz ADHHDOLSTDQXBY-UHFFFAOYSA-N 2 3 309.454 1.184 20 0 DDADHP CCCCOC(=O)CC[C@@H](C)NCCC[NH2+]CCCC[NH3+] ZINC001246458050 892636806 /nfs/dbraw/zinc/63/68/06/892636806.db2.gz RKYYIUPOCBNFPK-OAHLLOKOSA-N 2 3 301.475 1.807 20 0 DDADHP COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)C[C@H](C1)N2 ZINC001246604317 892727639 /nfs/dbraw/zinc/72/76/39/892727639.db2.gz KTWXAXVZMWVXEX-FOGFMGOISA-N 2 3 321.465 1.134 20 0 DDADHP COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@]4(C3)CCC[NH2+]C4)C[C@H](C1)N2 ZINC001246604317 892727647 /nfs/dbraw/zinc/72/76/47/892727647.db2.gz KTWXAXVZMWVXEX-FOGFMGOISA-N 2 3 321.465 1.134 20 0 DDADHP C[NH+]1CCC(CN2CCN([C@H]3CC4CC[NH+](CC4)C3)CC2)CC1 ZINC001254868251 896642951 /nfs/dbraw/zinc/64/29/51/896642951.db2.gz NLRAOUSKZCACAQ-IBGZPJMESA-N 2 3 320.525 1.430 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[nH+]1 ZINC000635011798 422765991 /nfs/dbraw/zinc/76/59/91/422765991.db2.gz PDXFSYPFRVENGX-IXDOHACOSA-N 2 3 315.465 1.824 20 0 DDADHP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414716505 224378078 /nfs/dbraw/zinc/37/80/78/224378078.db2.gz ZZKUTHPGXWSWIE-QGZVFWFLSA-N 2 3 324.513 1.238 20 0 DDADHP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)NCCN(C)C ZINC000647793908 423050951 /nfs/dbraw/zinc/05/09/51/423050951.db2.gz LQVUPETXUCRNKL-VQHPVUNQSA-N 2 3 324.513 1.057 20 0 DDADHP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382685036 418732632 /nfs/dbraw/zinc/73/26/32/418732632.db2.gz DYTIBQKYAHTVJZ-LJQANCHMSA-N 2 3 316.493 1.346 20 0 DDADHP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382685036 418732634 /nfs/dbraw/zinc/73/26/34/418732634.db2.gz DYTIBQKYAHTVJZ-LJQANCHMSA-N 2 3 316.493 1.346 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665239234 424764388 /nfs/dbraw/zinc/76/43/88/424764388.db2.gz OKFYJZQHNZWUHF-AYOQOUSVSA-N 2 3 317.477 1.731 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000665239234 424764390 /nfs/dbraw/zinc/76/43/90/424764390.db2.gz OKFYJZQHNZWUHF-AYOQOUSVSA-N 2 3 317.477 1.731 20 0 DDADHP NC[C@H](C[NH+]1CCC(OCCC[NH3+])CC1)c1ccc(F)cc1 ZINC000424267614 534617840 /nfs/dbraw/zinc/61/78/40/534617840.db2.gz KKJMCPNNXYZACB-OAHLLOKOSA-N 2 3 309.429 1.698 20 0 DDADHP CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000414713109 528993089 /nfs/dbraw/zinc/99/30/89/528993089.db2.gz VJJMKAPHXSWLHW-ZWKOTPCHSA-N 2 3 322.541 1.865 20 0 DDADHP Cc1c(C[C@@H](C[NH3+])CNCc2ccc([C@@H](C)[NH3+])cc2)cnn1C ZINC000903915898 711330070 /nfs/dbraw/zinc/33/00/70/711330070.db2.gz DGQRDFDNPCWXTE-CJNGLKHVSA-N 2 3 315.465 1.655 20 0 DDADHP N[C@H](CC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2)Cc1ccccc1 ZINC000925725278 714922180 /nfs/dbraw/zinc/92/21/80/714922180.db2.gz ILDYRIFAHQKKQP-WKULXVSPSA-N 2 3 303.450 1.288 20 0 DDADHP C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925727895 714922843 /nfs/dbraw/zinc/92/28/43/714922843.db2.gz BMRXLSPDANXVKY-SQNIBIBYSA-N 2 3 321.509 1.903 20 0 DDADHP C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925727895 714922845 /nfs/dbraw/zinc/92/28/45/714922845.db2.gz BMRXLSPDANXVKY-SQNIBIBYSA-N 2 3 321.509 1.903 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC001220254840 737226309 /nfs/dbraw/zinc/22/63/09/737226309.db2.gz ZTLDPSJMZDBRJY-AWEZNQCLSA-N 2 3 300.491 1.186 20 0 DDADHP CN1CCCC[C@@H]1c1ccc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001167880293 739170802 /nfs/dbraw/zinc/17/08/02/739170802.db2.gz GLFVHNSIUGLQST-CQSZACIVSA-N 2 3 304.442 1.914 20 0 DDADHP C[C@@H]1CC[C@@H](CN)[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001205818996 871833162 /nfs/dbraw/zinc/83/31/62/871833162.db2.gz VZOBOGFIHRZCAB-APWZRJJASA-N 2 3 316.493 1.651 20 0 DDADHP C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001205818996 871833178 /nfs/dbraw/zinc/83/31/78/871833178.db2.gz VZOBOGFIHRZCAB-APWZRJJASA-N 2 3 316.493 1.651 20 0 DDADHP C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001206771319 872562744 /nfs/dbraw/zinc/56/27/44/872562744.db2.gz VYGKNTYZFBYMFM-WBVHZDCISA-N 2 3 302.466 1.655 20 0 DDADHP CC[NH+]1CCC(CN2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001208601950 874299796 /nfs/dbraw/zinc/29/97/96/874299796.db2.gz UNSUEDPMZFRLEM-UHFFFAOYSA-N 2 3 308.514 1.432 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218993866 877859371 /nfs/dbraw/zinc/85/93/71/877859371.db2.gz WWLGZGTUDHWLIA-HNNXBMFYSA-N 2 3 304.438 1.724 20 0 DDADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220062140 878681214 /nfs/dbraw/zinc/68/12/14/878681214.db2.gz NRSPGJFAFZPUNO-HOTGVXAUSA-N 2 3 312.502 1.426 20 0 DDADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220062140 878681222 /nfs/dbraw/zinc/68/12/22/878681222.db2.gz NRSPGJFAFZPUNO-HOTGVXAUSA-N 2 3 312.502 1.426 20 0 DDADHP N[C@H](CCC[NH3+])C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221031885 879459818 /nfs/dbraw/zinc/45/98/18/879459818.db2.gz VDBFQXYSWHAWMG-HZPDHXFCSA-N 2 3 322.428 1.049 20 0 DDADHP CCN(Cc1cccc(N2CC[NH2+]CC2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408805 889226652 /nfs/dbraw/zinc/22/66/52/889226652.db2.gz NUCLMRVWBJSZPJ-QGZVFWFLSA-N 2 3 302.466 1.528 20 0 DDADHP [NH3+]C1CCN([C@H]2CCN(Cc3cc4c(s3)C[NH2+]CC4)C2)CC1 ZINC001236622871 889278580 /nfs/dbraw/zinc/27/85/80/889278580.db2.gz QDMVKMFGOIOCCA-HNNXBMFYSA-N 2 3 320.506 1.391 20 0 DDADHP OC1(C[NH2+]C2(c3ccc(Cl)cc3)CCNCC2)CC[NH2+]CC1 ZINC001245998126 892317164 /nfs/dbraw/zinc/31/71/64/892317164.db2.gz LJUZHMPFRZSSSG-UHFFFAOYSA-N 2 3 323.868 1.623 20 0 DDADHP O[C@]1(C[NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CCCNC1 ZINC001246001572 892319569 /nfs/dbraw/zinc/31/95/69/892319569.db2.gz BVBNSGWIJYNRTL-GOSISDBHSA-N 2 3 303.450 1.012 20 0 DDADHP CN1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H]2CCC[C@H]21 ZINC000423516300 283132498 /nfs/dbraw/zinc/13/24/98/283132498.db2.gz WKQHSAXCDQHWQT-QCRHNUIXSA-N 2 3 320.525 1.665 20 0 DDADHP CN1CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@H]2CCC[C@H]21 ZINC000423516300 283132504 /nfs/dbraw/zinc/13/25/04/283132504.db2.gz WKQHSAXCDQHWQT-QCRHNUIXSA-N 2 3 320.525 1.665 20 0 DDADHP CN1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)CC1 ZINC000647783922 423046909 /nfs/dbraw/zinc/04/69/09/423046909.db2.gz DTJMNUSXONTGBW-VQHPVUNQSA-N 2 3 306.498 1.133 20 0 DDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423037684 227322179 /nfs/dbraw/zinc/32/21/79/227322179.db2.gz WPPUGZPPLPLZNY-HDMKZQKVSA-N 2 3 305.466 1.859 20 0 DDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423037684 227322184 /nfs/dbraw/zinc/32/21/84/227322184.db2.gz WPPUGZPPLPLZNY-HDMKZQKVSA-N 2 3 305.466 1.859 20 0 DDADHP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423209080 419987952 /nfs/dbraw/zinc/98/79/52/419987952.db2.gz UODAMHYCWXKHMT-PKOBYXMFSA-N 2 3 316.493 1.392 20 0 DDADHP C[C@H](NCCN1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423209080 419987957 /nfs/dbraw/zinc/98/79/57/419987957.db2.gz UODAMHYCWXKHMT-PKOBYXMFSA-N 2 3 316.493 1.392 20 0 DDADHP C[C@H](NCCN1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423209080 419987962 /nfs/dbraw/zinc/98/79/62/419987962.db2.gz UODAMHYCWXKHMT-PKOBYXMFSA-N 2 3 316.493 1.392 20 0 DDADHP C[C@@H]1CN(CC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420318316 420202441 /nfs/dbraw/zinc/20/24/41/420202441.db2.gz NXFMYLSHQLQPNF-IXDOHACOSA-N 2 3 309.498 1.807 20 0 DDADHP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000665240493 424765443 /nfs/dbraw/zinc/76/54/43/424765443.db2.gz MAWAYDDSNGTQED-MSOLQXFVSA-N 2 3 321.465 1.097 20 0 DDADHP NC[C@@H](C[NH+]1CCC(OCCC[NH3+])CC1)c1ccc(F)cc1 ZINC000424267612 534617790 /nfs/dbraw/zinc/61/77/90/534617790.db2.gz KKJMCPNNXYZACB-HNNXBMFYSA-N 2 3 309.429 1.698 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788475672 699317166 /nfs/dbraw/zinc/31/71/66/699317166.db2.gz IXSPPAIQOJCVIC-HDICACEKSA-N 2 3 322.541 1.819 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788475672 699317170 /nfs/dbraw/zinc/31/71/70/699317170.db2.gz IXSPPAIQOJCVIC-HDICACEKSA-N 2 3 322.541 1.819 20 0 DDADHP C[C@H]1C[C@H](C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC[NH2+]1 ZINC000873215608 707772327 /nfs/dbraw/zinc/77/23/27/707772327.db2.gz DWICIIKSFJKZBP-DZGCQCFKSA-N 2 3 314.437 1.204 20 0 DDADHP Cc1c(C[C@@H](C[NH3+])CNCc2ccc([C@H](C)[NH3+])cc2)cnn1C ZINC000903915897 711330057 /nfs/dbraw/zinc/33/00/57/711330057.db2.gz DGQRDFDNPCWXTE-BBRMVZONSA-N 2 3 315.465 1.655 20 0 DDADHP CC[NH+]1CCC(N(C)C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001160537130 865920543 /nfs/dbraw/zinc/92/05/43/865920543.db2.gz GMHMFDQMIRQIKJ-INIZCTEOSA-N 2 3 312.502 1.425 20 0 DDADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001161488945 866706481 /nfs/dbraw/zinc/70/64/81/866706481.db2.gz INAQRSZWZODMPL-QAPCUYQASA-N 2 3 322.497 1.038 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCCCC[NH+](C)C ZINC001219920693 878592136 /nfs/dbraw/zinc/59/21/36/878592136.db2.gz JELHAXZSLBZMDW-HNNXBMFYSA-N 2 3 300.491 1.330 20 0 DDADHP [NH3+]C1([C@@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]2CF)CC1 ZINC001235396703 888613863 /nfs/dbraw/zinc/61/38/63/888613863.db2.gz LCCFAHBMXPGMHL-DLBZAZTESA-N 2 3 303.425 1.841 20 0 DDADHP [NH3+]C1([C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@H]2CF)CC1 ZINC001235399956 888614710 /nfs/dbraw/zinc/61/47/10/888614710.db2.gz BDVDCMOEIQQVOM-SJORKVTESA-N 2 3 303.425 1.841 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@]34CCC[C@H]3C[NH2+]C4)C[C@H](C1)N2 ZINC001246125102 892425287 /nfs/dbraw/zinc/42/52/87/892425287.db2.gz CSTUSRGDSZVATG-OTKHROJESA-N 2 3 321.465 1.038 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246124252 892425377 /nfs/dbraw/zinc/42/53/77/892425377.db2.gz DNZXCVCGZXGKAV-PMPSAXMXSA-N 2 3 309.498 1.901 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246157059 892450755 /nfs/dbraw/zinc/45/07/55/892450755.db2.gz POIYPRXKWZPDCP-XLMAVXFVSA-N 2 3 309.498 1.901 20 0 DDADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246157670 892451680 /nfs/dbraw/zinc/45/16/80/892451680.db2.gz SVZWXFZNNXQULQ-LUKYLMHMSA-N 2 3 307.482 1.655 20 0 DDADHP c1ccc([C@@H]2C[C@H](N[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)CC[NH2+]2)cc1 ZINC001246252186 892502884 /nfs/dbraw/zinc/50/28/84/892502884.db2.gz ABZJLDNBDRBTPU-YDZRNGNQSA-N 2 3 315.461 1.980 20 0 DDADHP [NH3+][C@@H]1CCN(C2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)C1 ZINC001246967204 893027925 /nfs/dbraw/zinc/02/79/25/893027925.db2.gz LXKGTLBCLGZDNM-AEFFLSMTSA-N 2 3 320.525 1.939 20 0 DDADHP [NH3+]CC1(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000634996646 422756724 /nfs/dbraw/zinc/75/67/24/422756724.db2.gz PXNGHYOGEVSWJB-UHFFFAOYSA-N 2 3 302.466 1.308 20 0 DDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000568248242 304280100 /nfs/dbraw/zinc/28/01/00/304280100.db2.gz LLELEWYCNSAORY-FGTMMUONSA-N 2 3 303.450 1.613 20 0 DDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000568248242 304280102 /nfs/dbraw/zinc/28/01/02/304280102.db2.gz LLELEWYCNSAORY-FGTMMUONSA-N 2 3 303.450 1.613 20 0 DDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422912794 419974312 /nfs/dbraw/zinc/97/43/12/419974312.db2.gz OBAJJOZDGJRVIW-AWEZNQCLSA-N 2 3 306.454 1.195 20 0 DDADHP CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422866885 529144721 /nfs/dbraw/zinc/14/47/21/529144721.db2.gz RBGIABHFXMEOGL-GUDVDZBRSA-N 2 3 322.541 1.914 20 0 DDADHP C[C@@H]([NH3+])[C@H](Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1 ZINC000925722902 714921152 /nfs/dbraw/zinc/92/11/52/714921152.db2.gz PDZUIPDFJZHXIW-KDOFPFPSSA-N 2 3 311.433 1.992 20 0 DDADHP C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001205902192 871911977 /nfs/dbraw/zinc/91/19/77/871911977.db2.gz IJNBBSGVVXQYJI-WBVHZDCISA-N 2 3 302.466 1.655 20 0 DDADHP C[NH+](C)CCc1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001219022650 877878689 /nfs/dbraw/zinc/87/86/89/877878689.db2.gz OJWHRNBUPJJGPN-MRXNPFEDSA-N 2 3 304.438 1.056 20 0 DDADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@]1(C(C)C)CCC[NH2+]C1 ZINC001221391703 879742838 /nfs/dbraw/zinc/74/28/38/879742838.db2.gz ZUMPFOITOWXDAE-INIZCTEOSA-N 2 3 311.474 1.076 20 0 DDADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245972487 892292897 /nfs/dbraw/zinc/29/28/97/892292897.db2.gz IMLNUOGIQZHGNB-LVQVYYBASA-N 2 3 313.392 1.055 20 0 DDADHP OC1(C[N@@H+]2Cc3ccccc3C23CCNCC3)CC[NH2+]CC1 ZINC001246068148 892399683 /nfs/dbraw/zinc/39/96/83/892399683.db2.gz ZCYFUSAAIRSESB-UHFFFAOYSA-N 2 3 301.434 1.195 20 0 DDADHP OC1(C[N@H+]2Cc3ccccc3C23CCNCC3)CC[NH2+]CC1 ZINC001246068148 892399703 /nfs/dbraw/zinc/39/97/03/892399703.db2.gz ZCYFUSAAIRSESB-UHFFFAOYSA-N 2 3 301.434 1.195 20 0 DDADHP C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246180773 892468252 /nfs/dbraw/zinc/46/82/52/892468252.db2.gz PJZAGELUIXKJLS-HZMVEIRTSA-N 2 3 307.482 1.798 20 0 DDADHP C([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246180773 892468259 /nfs/dbraw/zinc/46/82/59/892468259.db2.gz PJZAGELUIXKJLS-HZMVEIRTSA-N 2 3 307.482 1.798 20 0 DDADHP CCCC[C@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246610478 892733452 /nfs/dbraw/zinc/73/34/52/892733452.db2.gz AIYMPHKMNOBEEO-DLBZAZTESA-N 2 3 309.498 1.999 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CC[NH2+]1 ZINC001246963396 893029054 /nfs/dbraw/zinc/02/90/54/893029054.db2.gz AMJYWTUKXSCJOA-XIRDDKMYSA-N 2 3 308.514 1.651 20 0 DDADHP CC[C@@H]1C[C@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)C[C@H](CC)[NH2+]1 ZINC001246969181 893033378 /nfs/dbraw/zinc/03/33/78/893033378.db2.gz UXBDWMRTMWXICN-LISAXSMJSA-N 2 3 308.514 1.793 20 0 DDADHP CC[C@@H]1CC(N2CC[C@H](N3CCC([NH3+])CC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246973025 893038068 /nfs/dbraw/zinc/03/80/68/893038068.db2.gz DXTWDWDGBFSGIM-ZACQAIPSSA-N 2 3 308.514 1.793 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)CC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000494633997 530049825 /nfs/dbraw/zinc/04/98/25/530049825.db2.gz BPRBKVJEPFZAAJ-HNNXBMFYSA-N 2 3 322.497 1.193 20 0 DDADHP C[C@@H](CCN1CCC([NH+](C)C)CC1)N1CCC([NH+](C)C)CC1 ZINC000434685202 539523224 /nfs/dbraw/zinc/52/32/24/539523224.db2.gz OWEYVOBCFZHTIZ-INIZCTEOSA-N 2 3 310.530 1.817 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000261882644 407652885 /nfs/dbraw/zinc/65/28/85/407652885.db2.gz SAKLSRDMLQVJQC-HNNXBMFYSA-N 2 3 322.497 1.051 20 0 DDADHP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCC([NH+](C)C)CC1 ZINC000422814791 419967298 /nfs/dbraw/zinc/96/72/98/419967298.db2.gz AFJWNNCEECGALE-LPHOPBHVSA-N 2 3 318.509 1.561 20 0 DDADHP [NH3+]C1(CNC[C@]23C[C@H]2C[NH2+]C3)CCN(Cc2ccccc2)CC1 ZINC000663499286 423895697 /nfs/dbraw/zinc/89/56/97/423895697.db2.gz VOWNNJCWGCUFAL-ZWKOTPCHSA-N 2 3 314.477 1.179 20 0 DDADHP CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000414713103 528992102 /nfs/dbraw/zinc/99/21/02/528992102.db2.gz VJJMKAPHXSWLHW-QZTJIDSGSA-N 2 3 322.541 1.865 20 0 DDADHP CCN1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422871111 529151996 /nfs/dbraw/zinc/15/19/96/529151996.db2.gz ZULIIZDCWAPBPW-VSZNYVQBSA-N 2 3 308.514 1.523 20 0 DDADHP C[C@H]1CC(NCCN(C)CC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168029676 740795656 /nfs/dbraw/zinc/79/56/56/740795656.db2.gz UMQOFKUSMAGEGE-IRXDYDNUSA-N 2 3 318.509 1.908 20 0 DDADHP C[C@@H]1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@H]1C[NH3+] ZINC001205305885 871490518 /nfs/dbraw/zinc/49/05/18/871490518.db2.gz TXOPEPFVMNQAGI-VQIMIIECSA-N 2 3 316.493 1.509 20 0 DDADHP CCOCC[N@H+](CC1CC2(C1)CC[NH2+]CC2)C1CCNCC1 ZINC001236459730 889237665 /nfs/dbraw/zinc/23/76/65/889237665.db2.gz DLEJZSLVXIAIIS-UHFFFAOYSA-N 2 3 309.498 1.857 20 0 DDADHP CCOCC[N@@H+](CC1CC2(C1)CC[NH2+]CC2)C1CCNCC1 ZINC001236459730 889237679 /nfs/dbraw/zinc/23/76/79/889237679.db2.gz DLEJZSLVXIAIIS-UHFFFAOYSA-N 2 3 309.498 1.857 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC2(CC[C@H]2[NH3+])CC1 ZINC001246058344 892390553 /nfs/dbraw/zinc/39/05/53/892390553.db2.gz DOSBFNHJOUSCMA-GVDBMIGSSA-N 2 3 303.450 1.121 20 0 DDADHP CCOC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)C1CC[NH2+]CC1 ZINC001246226469 892487844 /nfs/dbraw/zinc/48/78/44/892487844.db2.gz HRQHZWQZTHSMRD-YVSFHVDLSA-N 2 3 323.481 1.571 20 0 DDADHP CCCC[C@@H]1C[C@@H]([NH2+]C2CCN([C@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246374123 892583036 /nfs/dbraw/zinc/58/30/36/892583036.db2.gz KWDAWPPELZOYEH-SQNIBIBYSA-N 2 3 308.514 1.713 20 0 DDADHP CC1(C)C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246427299 892620166 /nfs/dbraw/zinc/62/01/66/892620166.db2.gz KLEINFBUEPSKEC-OAHLLOKOSA-N 2 3 302.466 1.823 20 0 DDADHP C1CCC2(CC1)C[C@@H](N1CCNC3(CC[NH2+]CC3)C1)CC[NH2+]2 ZINC001246594762 892719440 /nfs/dbraw/zinc/71/94/40/892719440.db2.gz LHHVBINJACNFLP-INIZCTEOSA-N 2 3 306.498 1.469 20 0 DDADHP CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246852058 892940301 /nfs/dbraw/zinc/94/03/01/892940301.db2.gz OREDKELCVSHBSZ-GVDBMIGSSA-N 2 3 306.498 1.419 20 0 DDADHP CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246852058 892940310 /nfs/dbraw/zinc/94/03/10/892940310.db2.gz OREDKELCVSHBSZ-GVDBMIGSSA-N 2 3 306.498 1.419 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623356825 365831068 /nfs/dbraw/zinc/83/10/68/365831068.db2.gz JUAKKEAGEUIRCP-KRWDZBQOSA-N 2 3 310.530 1.867 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[nH+]1 ZINC000635011744 422766876 /nfs/dbraw/zinc/76/68/76/422766876.db2.gz PDXFSYPFRVENGX-GVDBMIGSSA-N 2 3 315.465 1.824 20 0 DDADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+](CC3CC3)CC2)CC1 ZINC000544018815 421842580 /nfs/dbraw/zinc/84/25/80/421842580.db2.gz LPQJLYDGHKGHIZ-UHFFFAOYSA-N 2 3 309.498 1.686 20 0 DDADHP C[C@H](NCCOCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629539604 422716680 /nfs/dbraw/zinc/71/66/80/422716680.db2.gz QMJRZZIUFQYFDI-FUHWJXTLSA-N 2 3 305.466 1.852 20 0 DDADHP C[C@H](NCCOCCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629539604 422716684 /nfs/dbraw/zinc/71/66/84/422716684.db2.gz QMJRZZIUFQYFDI-FUHWJXTLSA-N 2 3 305.466 1.852 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC(N[C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000663505330 423901237 /nfs/dbraw/zinc/90/12/37/423901237.db2.gz HRKSVBOYNCHTBL-ZBFHGGJFSA-N 2 3 310.486 1.097 20 0 DDADHP C[C@@H]1CC2(CN1Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC000903930008 711337311 /nfs/dbraw/zinc/33/73/11/711337311.db2.gz PZFLSAGOHSAENU-HUUCEWRRSA-N 2 3 318.469 1.167 20 0 DDADHP C[NH+](C)CCC[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923398254 714341580 /nfs/dbraw/zinc/34/15/80/714341580.db2.gz SKLJOXAVIMXACA-HQSKLWIPSA-N 2 3 309.498 1.950 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158028382 864366715 /nfs/dbraw/zinc/36/67/15/864366715.db2.gz PWLVDYPUWVYSQG-DOTOQJQBSA-N 2 3 310.486 1.215 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001160991809 866256427 /nfs/dbraw/zinc/25/64/27/866256427.db2.gz GJMCKCKIESLDHG-INIZCTEOSA-N 2 3 324.513 1.380 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001220716874 879202547 /nfs/dbraw/zinc/20/25/47/879202547.db2.gz UFCGLEBMMOGZJS-NXOAAHMSSA-N 2 3 324.513 1.614 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001220716874 879202565 /nfs/dbraw/zinc/20/25/65/879202565.db2.gz UFCGLEBMMOGZJS-NXOAAHMSSA-N 2 3 324.513 1.614 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220973253 879419270 /nfs/dbraw/zinc/41/92/70/879419270.db2.gz SREBLEGMVKNNDH-INIZCTEOSA-N 2 3 324.513 1.556 20 0 DDADHP O[C@]1(CNCC2(Cc3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246006714 892321980 /nfs/dbraw/zinc/32/19/80/892321980.db2.gz SPUQTUAKMICGNW-GOSISDBHSA-N 2 3 321.440 1.052 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246124253 892425433 /nfs/dbraw/zinc/42/54/33/892425433.db2.gz DNZXCVCGZXGKAV-XHSDSOJGSA-N 2 3 309.498 1.901 20 0 DDADHP Fc1ccc(C2([NH2+][C@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246334765 892547095 /nfs/dbraw/zinc/54/70/95/892547095.db2.gz DLRRVGYSPINFSB-INIZCTEOSA-N 2 3 319.424 1.515 20 0 DDADHP c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)nc1 ZINC001246428043 892619161 /nfs/dbraw/zinc/61/91/61/892619161.db2.gz OKGLJPXAVWWURQ-XYPWUTKMSA-N 2 3 300.450 1.575 20 0 DDADHP C[C@@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001246426655 892620121 /nfs/dbraw/zinc/62/01/21/892620121.db2.gz IOJFYKVQWKLTLO-MUJYYYPQSA-N 2 3 302.466 1.821 20 0 DDADHP CC(C)[C@@H]1C[C@@H](N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CC[NH2+]1 ZINC001246492931 892656041 /nfs/dbraw/zinc/65/60/41/892656041.db2.gz FICJQGGBCJGPLN-WMZOPIPTSA-N 2 3 304.482 1.805 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](N2CCC[C@@H](N3CC(C[NH3+])C3)C2)CC[NH2+]1 ZINC001246871892 892961084 /nfs/dbraw/zinc/96/10/84/892961084.db2.gz OKBNMEYRUAKEHC-ZACQAIPSSA-N 2 3 308.514 1.508 20 0 DDADHP C([C@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246934541 893000760 /nfs/dbraw/zinc/00/07/60/893000760.db2.gz NXHYXIHTZVUYNG-RDJZCZTQSA-N 2 3 306.498 1.325 20 0 DDADHP C([C@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246934541 893000777 /nfs/dbraw/zinc/00/07/77/893000777.db2.gz NXHYXIHTZVUYNG-RDJZCZTQSA-N 2 3 306.498 1.325 20 0 DDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000361804888 418712504 /nfs/dbraw/zinc/71/25/04/418712504.db2.gz VZMGHZCEJQPVFJ-UYTSQGDYSA-N 2 3 307.486 1.457 20 0 DDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000361804888 418712505 /nfs/dbraw/zinc/71/25/05/418712505.db2.gz VZMGHZCEJQPVFJ-UYTSQGDYSA-N 2 3 307.486 1.457 20 0 DDADHP C[C@H](C[C@H](C)[NH3+])NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423533661 420075208 /nfs/dbraw/zinc/07/52/08/420075208.db2.gz YDDFRBJEZYYPJN-JKSUJKDBSA-N 2 3 304.482 1.695 20 0 DDADHP NCC1([C@@H]2CCCC[N@@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903810976 711288652 /nfs/dbraw/zinc/28/86/52/711288652.db2.gz IMMOUUGWIBEBFZ-ULQDDVLXSA-N 2 3 307.482 1.739 20 0 DDADHP NCC1([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903810976 711288656 /nfs/dbraw/zinc/28/86/56/711288656.db2.gz IMMOUUGWIBEBFZ-ULQDDVLXSA-N 2 3 307.482 1.739 20 0 DDADHP [NH3+]Cc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000904356292 711845924 /nfs/dbraw/zinc/84/59/24/711845924.db2.gz VFJZXCIJHTXLJQ-CQSZACIVSA-N 2 3 316.371 1.071 20 0 DDADHP CN(C)Cc1c[nH]c2nccc(NC(=[NH2+])NCCCC[NH3+])c12 ZINC001167881038 739173787 /nfs/dbraw/zinc/17/37/87/739173787.db2.gz CPDHJSFMZOBTIJ-UHFFFAOYSA-N 2 3 303.414 1.300 20 0 DDADHP CC[C@@H]1C[C@H](NCC2(C(=O)OC)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246095827 892415440 /nfs/dbraw/zinc/41/54/40/892415440.db2.gz GIXIBEAGDIOJLF-FICVDOATSA-N 2 3 311.470 1.428 20 0 DDADHP CCOC(=O)CC1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246328740 892541610 /nfs/dbraw/zinc/54/16/10/892541610.db2.gz ZEWHLQDFCVYKRP-OAHLLOKOSA-N 2 3 323.481 1.574 20 0 DDADHP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246477270 892648101 /nfs/dbraw/zinc/64/81/01/892648101.db2.gz NICYSAAKVDJPNB-MLHJIOFPSA-N 2 3 305.441 1.887 20 0 DDADHP c1ccc([C@H]2CN([C@@H]3CSC4(C[NH2+]C4)C3)CC23C[NH2+]C3)cc1 ZINC001246623818 892746564 /nfs/dbraw/zinc/74/65/64/892746564.db2.gz NQVVRTFOUHCBLD-JKSUJKDBSA-N 2 3 315.486 1.523 20 0 DDADHP CC[C@@H]1C[C@@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)C[C@H](CC)[NH2+]1 ZINC001246969180 893031817 /nfs/dbraw/zinc/03/18/17/893031817.db2.gz UXBDWMRTMWXICN-CUSZFKRNSA-N 2 3 308.514 1.793 20 0 DDADHP N[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc21 ZINC000333778904 249102873 /nfs/dbraw/zinc/10/28/73/249102873.db2.gz DKFFLLHRGMLKTQ-NRERDWFFSA-N 2 3 314.477 1.937 20 0 DDADHP C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@H]1CCC[NH2+]1 ZINC000422797131 287018787 /nfs/dbraw/zinc/01/87/87/287018787.db2.gz ZXONGKSAFKLWLU-IAGOWNOFSA-N 2 3 308.514 1.667 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)CC1 ZINC000367760555 418631132 /nfs/dbraw/zinc/63/11/32/418631132.db2.gz ZXDPPYVJWYPXSH-QRVBRYPASA-N 2 3 322.541 1.867 20 0 DDADHP CCOC(=O)C1([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]CC1 ZINC000422900960 419971726 /nfs/dbraw/zinc/97/17/26/419971726.db2.gz RERHIABJGPBSIM-ARFHVFGLSA-N 2 3 323.481 1.524 20 0 DDADHP CCOC(=O)C1([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH2+]CC1 ZINC000422900960 419971731 /nfs/dbraw/zinc/97/17/31/419971731.db2.gz RERHIABJGPBSIM-ARFHVFGLSA-N 2 3 323.481 1.524 20 0 DDADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)CC[NH2+]CC1 ZINC000423347679 420022851 /nfs/dbraw/zinc/02/28/51/420022851.db2.gz RRCQNZBUQMNNIV-ZBFHGGJFSA-N 2 3 311.470 1.287 20 0 DDADHP CN1CCN(CC2(C)CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000420362598 420235172 /nfs/dbraw/zinc/23/51/72/420235172.db2.gz AXKXYJXOPWGXHC-SFHVURJKSA-N 2 3 322.541 1.726 20 0 DDADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000644522479 423686747 /nfs/dbraw/zinc/68/67/47/423686747.db2.gz DMHWSXHQPSBOHO-JZXOWHBKSA-N 2 3 311.514 1.789 20 0 DDADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000644522479 423686752 /nfs/dbraw/zinc/68/67/52/423686752.db2.gz DMHWSXHQPSBOHO-JZXOWHBKSA-N 2 3 311.514 1.789 20 0 DDADHP C[C@@H]1C[C@H](C)C[NH+](CCCCNC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644522479 423686759 /nfs/dbraw/zinc/68/67/59/423686759.db2.gz DMHWSXHQPSBOHO-JZXOWHBKSA-N 2 3 311.514 1.789 20 0 DDADHP C[C@@H]1C[C@H](C)C[NH+](CCCCNC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644522479 423686764 /nfs/dbraw/zinc/68/67/64/423686764.db2.gz DMHWSXHQPSBOHO-JZXOWHBKSA-N 2 3 311.514 1.789 20 0 DDADHP [NH3+]C1(CNC[C@@]23C[C@@H]2C[NH2+]C3)CCN(Cc2ccccc2)CC1 ZINC000663499278 423895136 /nfs/dbraw/zinc/89/51/36/423895136.db2.gz VOWNNJCWGCUFAL-MSOLQXFVSA-N 2 3 314.477 1.179 20 0 DDADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422743090 527846245 /nfs/dbraw/zinc/84/62/45/527846245.db2.gz QWRNRGCYOBHJST-FHLIZLRMSA-N 2 3 305.466 1.980 20 0 DDADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422743090 527846246 /nfs/dbraw/zinc/84/62/46/527846246.db2.gz QWRNRGCYOBHJST-FHLIZLRMSA-N 2 3 305.466 1.980 20 0 DDADHP N[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2ccccc21 ZINC000873292390 707800483 /nfs/dbraw/zinc/80/04/83/707800483.db2.gz AUKLVTZKKGAHMZ-XYPHTWIQSA-N 2 3 301.434 1.880 20 0 DDADHP CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC001413273923 856599762 /nfs/dbraw/zinc/59/97/62/856599762.db2.gz IAEZIFULXDUZIY-BMGDILEWSA-N 2 3 300.450 1.980 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160699036 866046363 /nfs/dbraw/zinc/04/63/63/866046363.db2.gz YKKHXAUXDBHNSY-HNNXBMFYSA-N 2 3 316.449 1.111 20 0 DDADHP C[NH+]1CCN(c2ccc(CN3CCC[C@@H]([NH3+])CC3)cn2)CC1 ZINC001205117798 871375159 /nfs/dbraw/zinc/37/51/59/871375159.db2.gz VSFFMDKKJVXJNB-MRXNPFEDSA-N 2 3 303.454 1.147 20 0 DDADHP c1ccc(N2CC[NH2+]CC2)c(CN2CC3(C2)CC[NH2+]CC3)c1 ZINC001235090379 888407024 /nfs/dbraw/zinc/40/70/24/888407024.db2.gz XPXIZPYUJIGMIC-UHFFFAOYSA-N 2 3 300.450 1.282 20 0 DDADHP c1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(CN2CC[NH2+]CC2)c1 ZINC001235941033 889024562 /nfs/dbraw/zinc/02/45/62/889024562.db2.gz UMIGSFPNAQOEQJ-RBUKOAKNSA-N 2 3 314.477 1.133 20 0 DDADHP C[C@@H](CN1CC[NH2+]CC1)N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246079143 892405238 /nfs/dbraw/zinc/40/52/38/892405238.db2.gz JEIJGOMSZTZQPG-SZMVWBNQSA-N 2 3 302.466 1.363 20 0 DDADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138848 892435948 /nfs/dbraw/zinc/43/59/48/892435948.db2.gz CFCZXBLHJUQQSL-IAGOWNOFSA-N 2 3 320.525 1.905 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246157057 892450425 /nfs/dbraw/zinc/45/04/25/892450425.db2.gz POIYPRXKWZPDCP-UIBIWLFHSA-N 2 3 309.498 1.901 20 0 DDADHP C1OC2(C[C@H]1N[C@H]1CC[NH2+]C3(CCCCC3)C1)CC[NH2+]CC2 ZINC001246181799 892468105 /nfs/dbraw/zinc/46/81/05/892468105.db2.gz SAXSVWDQWKJECD-JKSUJKDBSA-N 2 3 307.482 1.942 20 0 DDADHP O[C@H](C[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246224684 892488361 /nfs/dbraw/zinc/48/83/61/892488361.db2.gz ADRMVVGJOQROAC-GUDVDZBRSA-N 2 3 317.477 1.300 20 0 DDADHP COC(=O)C1C[C@@H]2CC([N@@H+]3CCCC34CC[NH2+]CC4)C[C@H](C1)N2 ZINC001246651094 892768735 /nfs/dbraw/zinc/76/87/35/892768735.db2.gz CYWQUTPTIYRMAU-IRHLINNNSA-N 2 3 321.465 1.277 20 0 DDADHP COC(=O)C1C[C@@H]2CC([N@H+]3CCCC34CC[NH2+]CC4)C[C@H](C1)N2 ZINC001246651094 892768744 /nfs/dbraw/zinc/76/87/44/892768744.db2.gz CYWQUTPTIYRMAU-IRHLINNNSA-N 2 3 321.465 1.277 20 0 DDADHP COC(=O)[C@@H]1C[C@H](N)C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246797944 892906640 /nfs/dbraw/zinc/90/66/40/892906640.db2.gz QOTRDOATSCMCPN-KGLIPLIRSA-N 2 3 309.454 1.121 20 0 DDADHP COC(=O)[C@@H]1C[C@H](N)C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246797944 892906657 /nfs/dbraw/zinc/90/66/57/892906657.db2.gz QOTRDOATSCMCPN-KGLIPLIRSA-N 2 3 309.454 1.121 20 0 DDADHP CC(C)(C)[C@H]1C[C@H](N2CCC(N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246889767 892970622 /nfs/dbraw/zinc/97/06/22/892970622.db2.gz ZRRDUYQMNSLWAX-IAGOWNOFSA-N 2 3 308.514 1.523 20 0 DDADHP [NH3+]CCCCN1CCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256908775 897628683 /nfs/dbraw/zinc/62/86/83/897628683.db2.gz NSJQSBNVCZBWKM-GOSISDBHSA-N 2 3 308.514 1.750 20 0 DDADHP [NH3+]CCCCN1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256908775 897628688 /nfs/dbraw/zinc/62/86/88/897628688.db2.gz NSJQSBNVCZBWKM-GOSISDBHSA-N 2 3 308.514 1.750 20 0 DDADHP CC(C)CC[NH+]1CCC(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629567304 422735375 /nfs/dbraw/zinc/73/53/75/422735375.db2.gz JSIRICDCVKZXDE-SFHVURJKSA-N 2 3 311.514 1.791 20 0 DDADHP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC000591582979 355330801 /nfs/dbraw/zinc/33/08/01/355330801.db2.gz XDAQSHQARCCRQH-HUUCEWRRSA-N 2 3 323.481 1.572 20 0 DDADHP CCOC(=O)C1([C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]CC1 ZINC000591582979 355330802 /nfs/dbraw/zinc/33/08/02/355330802.db2.gz XDAQSHQARCCRQH-HUUCEWRRSA-N 2 3 323.481 1.572 20 0 DDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC000635467221 422017331 /nfs/dbraw/zinc/01/73/31/422017331.db2.gz ZMGSIZCDZLFYKZ-IAGOWNOFSA-N 2 3 324.513 1.203 20 0 DDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC000635467221 422017336 /nfs/dbraw/zinc/01/73/36/422017336.db2.gz ZMGSIZCDZLFYKZ-IAGOWNOFSA-N 2 3 324.513 1.203 20 0 DDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635467221 422017341 /nfs/dbraw/zinc/01/73/41/422017341.db2.gz ZMGSIZCDZLFYKZ-IAGOWNOFSA-N 2 3 324.513 1.203 20 0 DDADHP CC[NH+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635467221 422017345 /nfs/dbraw/zinc/01/73/45/422017345.db2.gz ZMGSIZCDZLFYKZ-IAGOWNOFSA-N 2 3 324.513 1.203 20 0 DDADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c2)nn1 ZINC000873215775 707772265 /nfs/dbraw/zinc/77/22/65/707772265.db2.gz FKIZFADSQXOBCD-UONOGXRCSA-N 2 3 300.410 1.086 20 0 DDADHP C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873295052 707801599 /nfs/dbraw/zinc/80/15/99/707801599.db2.gz XZQDVEGJTFQTHV-QZWWFDLISA-N 2 3 307.482 1.655 20 0 DDADHP CN1CC(CNc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)C1 ZINC001170259681 766208266 /nfs/dbraw/zinc/20/82/66/766208266.db2.gz ZEISWGQCPBFPSW-UHFFFAOYSA-N 2 3 302.466 1.831 20 0 DDADHP N[C@@H](CCC[NH3+])Nc1ccc([C@@]23CC[NH2+][C@@H]2COCC3)cc1 ZINC001170900046 771899186 /nfs/dbraw/zinc/89/91/86/771899186.db2.gz OKFUVZGQTKONPK-ZACQAIPSSA-N 2 3 304.438 1.142 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161623 878763820 /nfs/dbraw/zinc/76/38/20/878763820.db2.gz DKTJTHSMXJIVGQ-VYDXJSESSA-N 2 3 310.486 1.084 20 0 DDADHP c1cc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001235934521 889022798 /nfs/dbraw/zinc/02/27/98/889022798.db2.gz BJDXSXOINHGDEF-SJORKVTESA-N 2 3 300.450 1.138 20 0 DDADHP O[C@]1(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)CCCNC1 ZINC001246043871 892381178 /nfs/dbraw/zinc/38/11/78/892381178.db2.gz CWHGZISKBJJZDE-LJQANCHMSA-N 2 3 315.461 1.238 20 0 DDADHP O[C@]1(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)CCCNC1 ZINC001246043871 892381199 /nfs/dbraw/zinc/38/11/99/892381199.db2.gz CWHGZISKBJJZDE-LJQANCHMSA-N 2 3 315.461 1.238 20 0 DDADHP C([NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246153964 892447357 /nfs/dbraw/zinc/44/73/57/892447357.db2.gz SUHIKEBEJGGLEJ-MLHJIOFPSA-N 2 3 307.482 1.657 20 0 DDADHP c1ccc([C@@H]2C[C@H](N[C@H]3CO[C@]4(C3)CCC[NH2+]C4)CC[NH2+]2)cc1 ZINC001246252188 892503424 /nfs/dbraw/zinc/50/34/24/892503424.db2.gz ABZJLDNBDRBTPU-YRXWBPOGSA-N 2 3 315.461 1.980 20 0 DDADHP CC1(C)C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246427298 892619393 /nfs/dbraw/zinc/61/93/93/892619393.db2.gz KLEINFBUEPSKEC-HNNXBMFYSA-N 2 3 302.466 1.823 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246659188 892774086 /nfs/dbraw/zinc/77/40/86/892774086.db2.gz WLYVABPAILFSOI-PPWQZUPISA-N 2 3 317.399 1.992 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246659188 892774103 /nfs/dbraw/zinc/77/41/03/892774103.db2.gz WLYVABPAILFSOI-PPWQZUPISA-N 2 3 317.399 1.992 20 0 DDADHP CN(C)CC[N@H+](C1CCNCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246985289 893058889 /nfs/dbraw/zinc/05/88/89/893058889.db2.gz JUKOENSPCXVMSA-UHFFFAOYSA-N 2 3 308.514 1.524 20 0 DDADHP CN(C)CC[N@@H+](C1CCNCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246985289 893058910 /nfs/dbraw/zinc/05/89/10/893058910.db2.gz JUKOENSPCXVMSA-UHFFFAOYSA-N 2 3 308.514 1.524 20 0 DDADHP CC(C)[C@@H](C[NH3+])CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000634996261 422755043 /nfs/dbraw/zinc/75/50/43/422755043.db2.gz DWROJJKMAKXUNG-SFHVURJKSA-N 2 3 318.509 1.800 20 0 DDADHP C[C@@H]1CN(CC2CC[NH+](CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000178979468 407678911 /nfs/dbraw/zinc/67/89/11/407678911.db2.gz FVPKDXICAYOGKN-IYBDPMFKSA-N 2 3 309.498 1.807 20 0 DDADHP CN(CC[C@@H]1CCCC[N@@H+]1C)CCN(C)C1CC[NH+](C)CC1 ZINC000341000743 410877620 /nfs/dbraw/zinc/87/76/20/410877620.db2.gz ZZYHKTPGQMHKKR-KRWDZBQOSA-N 2 3 310.530 1.819 20 0 DDADHP CN(CC[C@@H]1CCCC[N@H+]1C)CCN(C)C1CC[NH+](C)CC1 ZINC000341000743 410877626 /nfs/dbraw/zinc/87/76/26/410877626.db2.gz ZZYHKTPGQMHKKR-KRWDZBQOSA-N 2 3 310.530 1.819 20 0 DDADHP C[NH+]1CC[C@]2(CCN(CCN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366484049 418479012 /nfs/dbraw/zinc/47/90/12/418479012.db2.gz RPXARYYJGPQBAY-HDICACEKSA-N 2 3 306.498 1.042 20 0 DDADHP C[NH+]1CC[C@]2(CCN(CCN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366484049 418479015 /nfs/dbraw/zinc/47/90/15/418479015.db2.gz RPXARYYJGPQBAY-HDICACEKSA-N 2 3 306.498 1.042 20 0 DDADHP C[NH+]1CC[C@@]2(CCN(CCN3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366484049 418479019 /nfs/dbraw/zinc/47/90/19/418479019.db2.gz RPXARYYJGPQBAY-HDICACEKSA-N 2 3 306.498 1.042 20 0 DDADHP C[NH+]1CC[C@@]2(CCN(CCN3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366484049 418479022 /nfs/dbraw/zinc/47/90/22/418479022.db2.gz RPXARYYJGPQBAY-HDICACEKSA-N 2 3 306.498 1.042 20 0 DDADHP C[NH2+]CCOCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000629531531 422713853 /nfs/dbraw/zinc/71/38/53/422713853.db2.gz OCYSIZSOMIKKTM-KRWDZBQOSA-N 2 3 319.493 1.908 20 0 DDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000665240049 424763406 /nfs/dbraw/zinc/76/34/06/424763406.db2.gz BOFKJFDPCZEOTH-SQNIBIBYSA-N 2 3 303.450 1.613 20 0 DDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000665240049 424763407 /nfs/dbraw/zinc/76/34/07/424763407.db2.gz BOFKJFDPCZEOTH-SQNIBIBYSA-N 2 3 303.450 1.613 20 0 DDADHP COCC1(C[NH2+]Cc2ccc3c(c2)CNCC3)CC[NH2+]CC1 ZINC000656785383 484323230 /nfs/dbraw/zinc/32/32/30/484323230.db2.gz GWBSELLRTKVMLT-UHFFFAOYSA-N 2 3 303.450 1.438 20 0 DDADHP CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023101 703896241 /nfs/dbraw/zinc/89/62/41/703896241.db2.gz LKXKFKYLJUZLRQ-BRWVUGGUSA-N 2 3 324.513 1.059 20 0 DDADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903785046 711279565 /nfs/dbraw/zinc/27/95/65/711279565.db2.gz VEAFSXUQPMRUTA-FUHWJXTLSA-N 2 3 307.482 1.611 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461429 865858064 /nfs/dbraw/zinc/85/80/64/865858064.db2.gz PJJLYEHCCATXDL-SJORKVTESA-N 2 3 324.513 1.523 20 0 DDADHP C[C@@]1([NH3+])CCCN(Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001205273110 871479361 /nfs/dbraw/zinc/47/93/61/871479361.db2.gz FEEUOYBRPHWWFJ-GOSISDBHSA-N 2 3 302.466 1.800 20 0 DDADHP C[C@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)CC(C)(C)CC[NH3+] ZINC001220763513 879239798 /nfs/dbraw/zinc/23/97/98/879239798.db2.gz DXKBNIGCPNAACJ-GJZGRUSLSA-N 2 3 314.518 1.563 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+](CCCCCC[NH3+])C[C@@H]1CNCCC2 ZINC001222124972 880273539 /nfs/dbraw/zinc/27/35/39/880273539.db2.gz BVRVMEIBMDOJDW-RDJZCZTQSA-N 2 3 311.470 1.370 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+](CCCCCC[NH3+])C[C@@H]1CNCCC2 ZINC001222124972 880273552 /nfs/dbraw/zinc/27/35/52/880273552.db2.gz BVRVMEIBMDOJDW-RDJZCZTQSA-N 2 3 311.470 1.370 20 0 DDADHP COc1ccc(CN(CC2C[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543337 889245870 /nfs/dbraw/zinc/24/58/70/889245870.db2.gz QDYARCHRFBVIPJ-QAQDUYKDSA-N 2 3 303.450 1.987 20 0 DDADHP COc1ccc(C[N@H+](CC2CNC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543337 889245885 /nfs/dbraw/zinc/24/58/85/889245885.db2.gz QDYARCHRFBVIPJ-QAQDUYKDSA-N 2 3 303.450 1.987 20 0 DDADHP COc1ccc(C[N@@H+](CC2CNC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543337 889245897 /nfs/dbraw/zinc/24/58/97/889245897.db2.gz QDYARCHRFBVIPJ-QAQDUYKDSA-N 2 3 303.450 1.987 20 0 DDADHP O[C@@]1(C[NH2+]CC2(c3ccc(F)cc3)CC[NH2+]CC2)CCCNC1 ZINC001245989115 892310941 /nfs/dbraw/zinc/31/09/41/892310941.db2.gz LMJUWZUEPDJNLD-SFHVURJKSA-N 2 3 321.440 1.151 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC2(CC[C@@H]2[NH3+])CC1 ZINC001246058343 892389863 /nfs/dbraw/zinc/38/98/63/892389863.db2.gz DOSBFNHJOUSCMA-BBWFWOEESA-N 2 3 303.450 1.121 20 0 DDADHP c1cc2n(c1)C[C@@H](CC[NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)N3)C[NH2+]C2 ZINC001246144598 892439630 /nfs/dbraw/zinc/43/96/30/892439630.db2.gz XJTIYJLEXUWBQH-NXOAAHMSSA-N 2 3 302.466 1.860 20 0 DDADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001246145830 892441661 /nfs/dbraw/zinc/44/16/61/892441661.db2.gz FHLWSTLIZACBCG-TWMKSMIVSA-N 2 3 307.482 1.655 20 0 DDADHP c1ccc(C[C@H]2C[C@@H]([NH2+]C[C@H]3C[C@@H]4C[NH2+]C[C@@H]4O3)CCN2)cc1 ZINC001246148768 892443562 /nfs/dbraw/zinc/44/35/62/892443562.db2.gz RCZBPCNPCFLKTP-SPOLIRPYSA-N 2 3 315.461 1.316 20 0 DDADHP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246418105 892615309 /nfs/dbraw/zinc/61/53/09/892615309.db2.gz BCYJHNLRGOQLGP-JKSUJKDBSA-N 2 3 302.466 1.724 20 0 DDADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246934539 892999191 /nfs/dbraw/zinc/99/91/91/892999191.db2.gz NXHYXIHTZVUYNG-NVXWUHKLSA-N 2 3 306.498 1.325 20 0 DDADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246934539 892999210 /nfs/dbraw/zinc/99/92/10/892999210.db2.gz NXHYXIHTZVUYNG-NVXWUHKLSA-N 2 3 306.498 1.325 20 0 DDADHP C[C@@H]1CN(CCC2CC[NH+](CCOCC[NH3+])CC2)C[C@@H](C)O1 ZINC000357067462 409835663 /nfs/dbraw/zinc/83/56/63/409835663.db2.gz FDEPYKLVMKLJFK-HZPDHXFCSA-N 2 3 313.486 1.173 20 0 DDADHP CN1CCC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000360216677 411103522 /nfs/dbraw/zinc/10/35/22/411103522.db2.gz ARRZMYHTVJSUEO-UHFFFAOYSA-N 2 3 312.502 1.060 20 0 DDADHP CC(C)N1CCN(CCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000420343046 420223102 /nfs/dbraw/zinc/22/31/02/420223102.db2.gz YJAPEOFEDOWIEL-IBGZPJMESA-N 2 3 322.541 1.867 20 0 DDADHP CN1CCN(CC2(C)CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000420362596 420234800 /nfs/dbraw/zinc/23/48/00/420234800.db2.gz AXKXYJXOPWGXHC-GOSISDBHSA-N 2 3 322.541 1.726 20 0 DDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443062680 420740181 /nfs/dbraw/zinc/74/01/81/420740181.db2.gz UYJMHMOPTNVGKW-OAHLLOKOSA-N 2 3 310.486 1.036 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000665288990 424774906 /nfs/dbraw/zinc/77/49/06/424774906.db2.gz CMINRPWQWIMVLH-GOEBONIOSA-N 2 3 310.486 1.084 20 0 DDADHP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000903756633 711269700 /nfs/dbraw/zinc/26/97/00/711269700.db2.gz UQWBFSHEEVZGJU-XGXHKWSGSA-N 2 3 319.493 1.704 20 0 DDADHP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000903756633 711269705 /nfs/dbraw/zinc/26/97/05/711269705.db2.gz UQWBFSHEEVZGJU-XGXHKWSGSA-N 2 3 319.493 1.704 20 0 DDADHP c1cc(N2CC[NH2+]CC2)oc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000904350425 711845367 /nfs/dbraw/zinc/84/53/67/711845367.db2.gz LFQCHSXZPNIGJH-INIZCTEOSA-N 2 3 318.465 1.511 20 0 DDADHP CC1(C)[C@@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925728713 714922945 /nfs/dbraw/zinc/92/29/45/714922945.db2.gz GTBBYNPHEJGJSN-WCVJEAGWSA-N 2 3 307.482 1.511 20 0 DDADHP N[C@@H]1CC[N@@H+](C2CCN(C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)C1 ZINC001236617794 889273538 /nfs/dbraw/zinc/27/35/38/889273538.db2.gz XUXFYMOGAXDMHA-MSOLQXFVSA-N 2 3 314.477 1.198 20 0 DDADHP N[C@@H]1CC[N@H+](C2CCN(C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)C1 ZINC001236617794 889273556 /nfs/dbraw/zinc/27/35/56/889273556.db2.gz XUXFYMOGAXDMHA-MSOLQXFVSA-N 2 3 314.477 1.198 20 0 DDADHP O[C@@]1(C[NH2+]CC2(Cc3ccccc3)CC[NH2+]CC2)CCCNC1 ZINC001246007937 892328053 /nfs/dbraw/zinc/32/80/53/892328053.db2.gz RAUKALKZVCDGJG-IBGZPJMESA-N 2 3 317.477 1.303 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)C[C@]2(O)CCCNC2)CC1 ZINC001246071954 892400910 /nfs/dbraw/zinc/40/09/10/892400910.db2.gz WCOTUHQZUNYRHS-BZSNNMDCSA-N 2 3 318.465 1.268 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C[C@]2(O)CCCNC2)CC1 ZINC001246071954 892400914 /nfs/dbraw/zinc/40/09/14/892400914.db2.gz WCOTUHQZUNYRHS-BZSNNMDCSA-N 2 3 318.465 1.268 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246250028 892500550 /nfs/dbraw/zinc/50/05/50/892500550.db2.gz SNGQNXKRKRDPEU-PMPSAXMXSA-N 2 3 309.498 1.901 20 0 DDADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CCN1 ZINC001246296172 892519141 /nfs/dbraw/zinc/51/91/41/892519141.db2.gz YLRIAPONWMLIDZ-YJBOKZPZSA-N 2 3 309.498 1.855 20 0 DDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCOC[C@]3(CCCNC3)C1)C2 ZINC001246644364 892762976 /nfs/dbraw/zinc/76/29/76/892762976.db2.gz GYGBRVLFGXJGRB-KSZLIROESA-N 2 3 307.482 1.611 20 0 DDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCOC[C@]3(CCCNC3)C1)C2 ZINC001246644364 892762980 /nfs/dbraw/zinc/76/29/80/892762980.db2.gz GYGBRVLFGXJGRB-KSZLIROESA-N 2 3 307.482 1.611 20 0 DDADHP CC[NH+](CC)C[C@H](O)CNCC1CC[NH+](CC2CCC2)CC1 ZINC001253211319 895731338 /nfs/dbraw/zinc/73/13/38/895731338.db2.gz DSEMIUCGFJZXBA-GOSISDBHSA-N 2 3 311.514 1.791 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)CC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000494634011 530049977 /nfs/dbraw/zinc/04/99/77/530049977.db2.gz BPRBKVJEPFZAAJ-OAHLLOKOSA-N 2 3 322.497 1.193 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC000591582980 355330828 /nfs/dbraw/zinc/33/08/28/355330828.db2.gz XDAQSHQARCCRQH-LSDHHAIUSA-N 2 3 323.481 1.572 20 0 DDADHP CCOC(=O)C1([C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]CC1 ZINC000591582980 355330831 /nfs/dbraw/zinc/33/08/31/355330831.db2.gz XDAQSHQARCCRQH-LSDHHAIUSA-N 2 3 323.481 1.572 20 0 DDADHP Cc1nc(NC[C@@H](C)C[NH+](C)C)cc(NC[C@@H](C)C[NH+](C)C)n1 ZINC000567818416 304245945 /nfs/dbraw/zinc/24/59/45/304245945.db2.gz ILGPESOEOFLNHN-ZIAGYGMSSA-N 2 3 322.501 1.426 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367616085 418616420 /nfs/dbraw/zinc/61/64/20/418616420.db2.gz NIGMHRSMXKDMSR-RCCFBDPRSA-N 2 3 308.514 1.475 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367616085 418616422 /nfs/dbraw/zinc/61/64/22/418616422.db2.gz NIGMHRSMXKDMSR-RCCFBDPRSA-N 2 3 308.514 1.475 20 0 DDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233518 424762324 /nfs/dbraw/zinc/76/23/24/424762324.db2.gz JRLPIYPRPHFOTC-YJBOKZPZSA-N 2 3 309.498 1.855 20 0 DDADHP CC(C)[NH+]1CCC(N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000414713105 528992320 /nfs/dbraw/zinc/99/23/20/528992320.db2.gz VJJMKAPHXSWLHW-ROUUACIJSA-N 2 3 322.541 1.865 20 0 DDADHP CCN1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422871112 529152030 /nfs/dbraw/zinc/15/20/30/529152030.db2.gz ZULIIZDCWAPBPW-XMTFNYHQSA-N 2 3 308.514 1.523 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)CC2)CC1 ZINC000876740430 705851232 /nfs/dbraw/zinc/85/12/32/705851232.db2.gz DEBNCQWGBBQBSA-HZPDHXFCSA-N 2 3 322.497 1.035 20 0 DDADHP CCN1CCN(C[C@H](C)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902321828 710716049 /nfs/dbraw/zinc/71/60/49/710716049.db2.gz XLYMLZMOFCULIA-SJORKVTESA-N 2 3 310.530 1.628 20 0 DDADHP [NH3+]C[C@H]1CCCCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001206624642 872484094 /nfs/dbraw/zinc/48/40/94/872484094.db2.gz XZXXZCRTAZPHCU-MRXNPFEDSA-N 2 3 302.466 1.657 20 0 DDADHP C[C@@H]1CC[C@H](C[NH3+])CN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001206770830 872563407 /nfs/dbraw/zinc/56/34/07/872563407.db2.gz TUNGARMDVXNNCC-HZPDHXFCSA-N 2 3 302.466 1.655 20 0 DDADHP CCOC(=O)[C@H]1CC2(CN1CCCCCC[NH3+])CC[NH2+]CC2 ZINC001222221113 880338590 /nfs/dbraw/zinc/33/85/90/880338590.db2.gz KGRORQFLLYRIGS-OAHLLOKOSA-N 2 3 311.470 1.513 20 0 DDADHP C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246150069 892444082 /nfs/dbraw/zinc/44/40/82/892444082.db2.gz VJBDABUSVWUQLH-QGZVFWFLSA-N 2 3 306.498 1.325 20 0 DDADHP CC1(C)C[C@@H]([NH2+]CC2(c3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246423757 892616693 /nfs/dbraw/zinc/61/66/93/892616693.db2.gz QNTXHGZXPFOKAG-INIZCTEOSA-N 2 3 302.466 1.823 20 0 DDADHP CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000073428036 353251110 /nfs/dbraw/zinc/25/11/10/353251110.db2.gz JWBUCIPVZDCGCG-UHFFFAOYSA-N 2 3 312.502 1.059 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000420307806 420195637 /nfs/dbraw/zinc/19/56/37/420195637.db2.gz MONYOSBOSAXWDW-RCCFBDPRSA-N 2 3 308.514 1.462 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000420307806 420195639 /nfs/dbraw/zinc/19/56/39/420195639.db2.gz MONYOSBOSAXWDW-RCCFBDPRSA-N 2 3 308.514 1.462 20 0 DDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233515 424762745 /nfs/dbraw/zinc/76/27/45/424762745.db2.gz JRLPIYPRPHFOTC-CRAIPNDOSA-N 2 3 309.498 1.855 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665239235 424764093 /nfs/dbraw/zinc/76/40/93/424764093.db2.gz OKFYJZQHNZWUHF-LZQZEXGQSA-N 2 3 317.477 1.731 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000665239235 424764096 /nfs/dbraw/zinc/76/40/96/424764096.db2.gz OKFYJZQHNZWUHF-LZQZEXGQSA-N 2 3 317.477 1.731 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422820561 282051558 /nfs/dbraw/zinc/05/15/58/282051558.db2.gz RGFJVBGFSZJFOA-KZNAEPCWSA-N 2 3 308.514 1.523 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422820560 289069258 /nfs/dbraw/zinc/06/92/58/289069258.db2.gz RGFJVBGFSZJFOA-KURKYZTESA-N 2 3 308.514 1.523 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420333830 302382664 /nfs/dbraw/zinc/38/26/64/302382664.db2.gz TULAMWAEGMGZEW-RBUKOAKNSA-N 2 3 322.541 1.724 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420333830 302382665 /nfs/dbraw/zinc/38/26/65/302382665.db2.gz TULAMWAEGMGZEW-RBUKOAKNSA-N 2 3 322.541 1.724 20 0 DDADHP C[C@H]1C[C@@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000414755456 534079858 /nfs/dbraw/zinc/07/98/58/534079858.db2.gz PEOQMVVBEKMFKD-ROUUACIJSA-N 2 3 322.541 1.724 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)CC[NH2+]CC1 ZINC000422698578 528612661 /nfs/dbraw/zinc/61/26/61/528612661.db2.gz ZZDSJIVEJBDOKJ-GJZGRUSLSA-N 2 3 311.470 1.239 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)CC2)CC1 ZINC000876740427 705851256 /nfs/dbraw/zinc/85/12/56/705851256.db2.gz DEBNCQWGBBQBSA-HOTGVXAUSA-N 2 3 322.497 1.035 20 0 DDADHP C[C@@H]1C[NH+](CCCCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@@H](C)O1 ZINC000925570853 714890021 /nfs/dbraw/zinc/89/00/21/714890021.db2.gz YBVXUYGXYHLGAM-MYNMMXSPSA-N 2 3 307.482 1.462 20 0 DDADHP CC[NH+](CC)CCN1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207479059 737419772 /nfs/dbraw/zinc/41/97/72/737419772.db2.gz CEFMGJPNUXTMPF-UHFFFAOYSA-N 2 3 310.530 1.678 20 0 DDADHP CC(C)[NH+]1CCN(c2ccc(N[C@@H](N)CCC[NH3+])cn2)CC1 ZINC001170898556 771897900 /nfs/dbraw/zinc/89/79/00/771897900.db2.gz DUDGPNIHXGZSOE-OAHLLOKOSA-N 2 3 306.458 1.048 20 0 DDADHP CN(C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058070 866332279 /nfs/dbraw/zinc/33/22/79/866332279.db2.gz MPTOIXVQPCCWJV-DJIMGWMZSA-N 2 3 322.497 1.179 20 0 DDADHP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001219999193 878642909 /nfs/dbraw/zinc/64/29/09/878642909.db2.gz MPRDDQCFMONQBH-IRXDYDNUSA-N 2 3 318.465 1.396 20 0 DDADHP CC(C)P(CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(C)C ZINC001221254191 879620413 /nfs/dbraw/zinc/62/04/13/879620413.db2.gz IUVPHUARXBFFJS-AWEZNQCLSA-N 2 3 301.415 1.728 20 0 DDADHP [NH3+]C[C@H]1CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001235674562 888871715 /nfs/dbraw/zinc/87/17/15/888871715.db2.gz UJBASUXNNAIEDN-GOSISDBHSA-N 2 3 302.466 1.263 20 0 DDADHP CC[NH+]1CCC(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC001364641671 889103609 /nfs/dbraw/zinc/10/36/09/889103609.db2.gz YCQAMKQFUYZCKE-RCCFBDPRSA-N 2 3 309.498 1.902 20 0 DDADHP O[C@]1(C[NH2+][C@@H](c2ccccc2)C2CC[NH2+]CC2)CCCNC1 ZINC001245994427 892312438 /nfs/dbraw/zinc/31/24/38/892312438.db2.gz MWCDYOPWXPFDIF-ZWKOTPCHSA-N 2 3 303.450 1.431 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@H]3C[C@@H]4C[NH2+]C[C@@H]4O3)CCN2)cc1 ZINC001246133666 892428165 /nfs/dbraw/zinc/42/81/65/892428165.db2.gz RCZBPCNPCFLKTP-ZRSRNVLSSA-N 2 3 315.461 1.316 20 0 DDADHP C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246140076 892435398 /nfs/dbraw/zinc/43/53/98/892435398.db2.gz DRHFPJQUVCTTHE-IRXDYDNUSA-N 2 3 320.525 1.857 20 0 DDADHP C(N[C@H]1CCC[N@H+](C2CCCC2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246140076 892435412 /nfs/dbraw/zinc/43/54/12/892435412.db2.gz DRHFPJQUVCTTHE-IRXDYDNUSA-N 2 3 320.525 1.857 20 0 DDADHP CC(C)[C@@H]1C[C@H](N2CCC(OC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246661868 892774945 /nfs/dbraw/zinc/77/49/45/892774945.db2.gz MJXUUHRQQQILTI-QAPCUYQASA-N 2 3 309.498 1.996 20 0 DDADHP COCCC1([NH3+])CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256854096 897604244 /nfs/dbraw/zinc/60/42/44/897604244.db2.gz JGUJPKNMHGOBKX-UHFFFAOYSA-N 2 3 318.465 1.880 20 0 DDADHP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCN2CC[NH2+]CC2)CC1 ZINC000414774841 299785501 /nfs/dbraw/zinc/78/55/01/299785501.db2.gz BVKQYRMSVXVDHR-PKOBYXMFSA-N 2 3 322.541 1.914 20 0 DDADHP C[C@@H]1CN(CCC2CC[NH+](CCOCC[NH3+])CC2)C[C@H](C)O1 ZINC000357067465 409836374 /nfs/dbraw/zinc/83/63/74/409836374.db2.gz FDEPYKLVMKLJFK-IYBDPMFKSA-N 2 3 313.486 1.173 20 0 DDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422744212 227151185 /nfs/dbraw/zinc/15/11/85/227151185.db2.gz SPCAQGUFCOBMAG-LSDHHAIUSA-N 2 3 305.466 1.859 20 0 DDADHP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644522478 423687134 /nfs/dbraw/zinc/68/71/34/423687134.db2.gz DMHWSXHQPSBOHO-JFIYKMOQSA-N 2 3 311.514 1.789 20 0 DDADHP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644522478 423687137 /nfs/dbraw/zinc/68/71/37/423687137.db2.gz DMHWSXHQPSBOHO-JFIYKMOQSA-N 2 3 311.514 1.789 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC(N[C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000663505327 423898341 /nfs/dbraw/zinc/89/83/41/423898341.db2.gz HRKSVBOYNCHTBL-GDBMZVCRSA-N 2 3 310.486 1.097 20 0 DDADHP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000665240494 424764906 /nfs/dbraw/zinc/76/49/06/424764906.db2.gz MAWAYDDSNGTQED-QZTJIDSGSA-N 2 3 321.465 1.097 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000665288989 424775106 /nfs/dbraw/zinc/77/51/06/424775106.db2.gz CMINRPWQWIMVLH-GDBMZVCRSA-N 2 3 310.486 1.084 20 0 DDADHP C[C@H](CCC[NH3+])[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000422849939 533868140 /nfs/dbraw/zinc/86/81/40/533868140.db2.gz VHHHJFVCZWMPEE-MRXNPFEDSA-N 2 3 305.470 1.311 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424287050 529042293 /nfs/dbraw/zinc/04/22/93/529042293.db2.gz IHODYCDROXKHFV-GOSISDBHSA-N 2 3 322.541 1.867 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424287050 529042297 /nfs/dbraw/zinc/04/22/97/529042297.db2.gz IHODYCDROXKHFV-GOSISDBHSA-N 2 3 322.541 1.867 20 0 DDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000849022078 703611919 /nfs/dbraw/zinc/61/19/19/703611919.db2.gz ZBAJLYGPPVMMPR-HNNXBMFYSA-N 2 3 309.502 1.707 20 0 DDADHP NCc1cn(-c2cccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)c2)nn1 ZINC000873215760 707772191 /nfs/dbraw/zinc/77/21/91/707772191.db2.gz FKIZFADSQXOBCD-KBPBESRZSA-N 2 3 300.410 1.086 20 0 DDADHP C[NH+]1CCC(N2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)CC1 ZINC001277624618 886139439 /nfs/dbraw/zinc/13/94/39/886139439.db2.gz DZFYLIRCZULDSB-UHFFFAOYSA-N 2 3 317.481 1.792 20 0 DDADHP C[NH+]1CCC(N2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)CC1 ZINC001277624618 886139445 /nfs/dbraw/zinc/13/94/45/886139445.db2.gz DZFYLIRCZULDSB-UHFFFAOYSA-N 2 3 317.481 1.792 20 0 DDADHP [NH3+]C1([C@@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]2CF)CC1 ZINC001235395478 888610705 /nfs/dbraw/zinc/61/07/05/888610705.db2.gz GGDHNZFQCLVFMC-GXTWGEPZSA-N 2 3 309.454 1.903 20 0 DDADHP C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CCCC[C@H]1N ZINC001236220175 889147049 /nfs/dbraw/zinc/14/70/49/889147049.db2.gz YMRNJQKDEFYYMF-QZTJIDSGSA-N 2 3 302.466 1.798 20 0 DDADHP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CCCC[C@H]1N ZINC001236220175 889147056 /nfs/dbraw/zinc/14/70/56/889147056.db2.gz YMRNJQKDEFYYMF-QZTJIDSGSA-N 2 3 302.466 1.798 20 0 DDADHP N[C@@H]1CC[N@@H+](C2CCN(CCC[NH2+]C3CCCCC3)CC2)C1 ZINC001236615150 889272417 /nfs/dbraw/zinc/27/24/17/889272417.db2.gz GCHJGQFALYGVFL-MRXNPFEDSA-N 2 3 308.514 1.796 20 0 DDADHP N[C@@H]1CC[N@H+](C2CCN(CCC[NH2+]C3CCCCC3)CC2)C1 ZINC001236615150 889272438 /nfs/dbraw/zinc/27/24/38/889272438.db2.gz GCHJGQFALYGVFL-MRXNPFEDSA-N 2 3 308.514 1.796 20 0 DDADHP c1ccc([C@@H]2C[C@@H](NC[C@@H]3CC4(CC[NH2+]CC4)O3)CC[NH2+]2)cc1 ZINC001246135552 892430084 /nfs/dbraw/zinc/43/00/84/892430084.db2.gz ZLBLXVFTZMBQHK-BZSNNMDCSA-N 2 3 315.461 1.980 20 0 DDADHP C1O[C@@]2(C[C@@H]1N[C@@H]1CC[NH2+]C3(CCCCC3)C1)CCC[NH2+]C2 ZINC001246256422 892503474 /nfs/dbraw/zinc/50/34/74/892503474.db2.gz PGLBJVPWQDDSOE-SOLBZPMBSA-N 2 3 307.482 1.942 20 0 DDADHP CC[C@H]1C[C@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246421994 892617390 /nfs/dbraw/zinc/61/73/90/892617390.db2.gz HYKHWNITUPWFGG-DLBZAZTESA-N 2 3 302.466 1.823 20 0 DDADHP CC[C@@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246615223 892741725 /nfs/dbraw/zinc/74/17/25/892741725.db2.gz QWONGBDCPXAVGI-FVQHAEBGSA-N 2 3 309.498 1.998 20 0 DDADHP [NH3+]CCOCCN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000357072036 409840428 /nfs/dbraw/zinc/84/04/28/409840428.db2.gz DAPZPHGDMZIDRC-ROUUACIJSA-N 2 3 305.466 1.634 20 0 DDADHP CCN1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H](C)C1 ZINC000415056307 419925271 /nfs/dbraw/zinc/92/52/71/419925271.db2.gz PWIADZCFXAZOJK-BFWZDYSYSA-N 2 3 308.514 1.523 20 0 DDADHP CCN1CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@@H](C)C1 ZINC000415056307 419925275 /nfs/dbraw/zinc/92/52/75/419925275.db2.gz PWIADZCFXAZOJK-BFWZDYSYSA-N 2 3 308.514 1.523 20 0 DDADHP CCN1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H](C)C1 ZINC000415056309 419925480 /nfs/dbraw/zinc/92/54/80/419925480.db2.gz PWIADZCFXAZOJK-FCCDEINASA-N 2 3 308.514 1.523 20 0 DDADHP CCN1CC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@@H](C)C1 ZINC000415056309 419925486 /nfs/dbraw/zinc/92/54/86/419925486.db2.gz PWIADZCFXAZOJK-FCCDEINASA-N 2 3 308.514 1.523 20 0 DDADHP [NH3+]C1(CN[C@@H]2CCC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000562751442 421410593 /nfs/dbraw/zinc/41/05/93/421410593.db2.gz ZINWOLJQIAHSIY-GOSISDBHSA-N 2 3 316.493 1.712 20 0 DDADHP CC(C)N1CCN(C2CC[NH+](CC3CC[NH+](C)CC3)CC2)CC1 ZINC000892190958 710392862 /nfs/dbraw/zinc/39/28/62/710392862.db2.gz BBOJLMTYDNGVMY-UHFFFAOYSA-N 2 3 322.541 1.819 20 0 DDADHP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000902361529 710729798 /nfs/dbraw/zinc/72/97/98/710729798.db2.gz KRCLNWXXBTWAHX-GVDBMIGSSA-N 2 3 309.498 1.732 20 0 DDADHP NCC1([C@@H]2CCCC[N@@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903810973 711288673 /nfs/dbraw/zinc/28/86/73/711288673.db2.gz IMMOUUGWIBEBFZ-IKGGRYGDSA-N 2 3 307.482 1.739 20 0 DDADHP NCC1([C@@H]2CCCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903810973 711288676 /nfs/dbraw/zinc/28/86/76/711288676.db2.gz IMMOUUGWIBEBFZ-IKGGRYGDSA-N 2 3 307.482 1.739 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CNCc2ccc([C@@H](C)[NH3+])cc2)cnn1C ZINC000903915899 711330284 /nfs/dbraw/zinc/33/02/84/711330284.db2.gz DGQRDFDNPCWXTE-CZUORRHYSA-N 2 3 315.465 1.655 20 0 DDADHP CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923483529 714370875 /nfs/dbraw/zinc/37/08/75/714370875.db2.gz BOIJSSRPDAYWLF-DOTOQJQBSA-N 2 3 318.465 1.076 20 0 DDADHP CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923483529 714370876 /nfs/dbraw/zinc/37/08/76/714370876.db2.gz BOIJSSRPDAYWLF-DOTOQJQBSA-N 2 3 318.465 1.076 20 0 DDADHP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC[NH+](C2CCOCC2)CC1 ZINC000925711197 714919470 /nfs/dbraw/zinc/91/94/70/714919470.db2.gz DRTJPUWMAWZBCP-WAARBJQMSA-N 2 3 319.493 1.463 20 0 DDADHP CC1(C)[C@@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925728711 714922823 /nfs/dbraw/zinc/92/28/23/714922823.db2.gz GTBBYNPHEJGJSN-FZKCQIBNSA-N 2 3 307.482 1.511 20 0 DDADHP N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817542 714943032 /nfs/dbraw/zinc/94/30/32/714943032.db2.gz PYPTWJRRHGLRIH-RBUKOAKNSA-N 2 3 316.493 1.841 20 0 DDADHP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)CC1 ZINC001161045973 866318034 /nfs/dbraw/zinc/31/80/34/866318034.db2.gz FKHJKXQKWKFESN-KRWDZBQOSA-N 2 3 324.513 1.413 20 0 DDADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220062203 878680725 /nfs/dbraw/zinc/68/07/25/878680725.db2.gz QBHLSEKYDKMRLW-HOTGVXAUSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220062203 878680731 /nfs/dbraw/zinc/68/07/31/878680731.db2.gz QBHLSEKYDKMRLW-HOTGVXAUSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220062203 878680737 /nfs/dbraw/zinc/68/07/37/878680737.db2.gz QBHLSEKYDKMRLW-HOTGVXAUSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220062203 878680743 /nfs/dbraw/zinc/68/07/43/878680743.db2.gz QBHLSEKYDKMRLW-HOTGVXAUSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220062205 878681698 /nfs/dbraw/zinc/68/16/98/878681698.db2.gz QBHLSEKYDKMRLW-JKSUJKDBSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220062205 878681711 /nfs/dbraw/zinc/68/17/11/878681711.db2.gz QBHLSEKYDKMRLW-JKSUJKDBSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220062205 878681725 /nfs/dbraw/zinc/68/17/25/878681725.db2.gz QBHLSEKYDKMRLW-JKSUJKDBSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220062205 878681737 /nfs/dbraw/zinc/68/17/37/878681737.db2.gz QBHLSEKYDKMRLW-JKSUJKDBSA-N 2 3 322.497 1.241 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220167234 878768570 /nfs/dbraw/zinc/76/85/70/878768570.db2.gz LXAMDGXYAYNXMW-XYJFISCASA-N 2 3 324.513 1.521 20 0 DDADHP c1ccc([C@]23CCNC[C@H]2C[N@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC001235365234 888591198 /nfs/dbraw/zinc/59/11/98/888591198.db2.gz NJJADGXXXDTVNS-CENDIDJXSA-N 2 3 311.473 1.705 20 0 DDADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC001235365234 888591211 /nfs/dbraw/zinc/59/12/11/888591211.db2.gz NJJADGXXXDTVNS-CENDIDJXSA-N 2 3 311.473 1.705 20 0 DDADHP c1ccc([C@@H]2C[C@H](NC[C@H]3CC4(CC[NH2+]CC4)O3)CC[NH2+]2)cc1 ZINC001246135555 892430269 /nfs/dbraw/zinc/43/02/69/892430269.db2.gz ZLBLXVFTZMBQHK-KURKYZTESA-N 2 3 315.461 1.980 20 0 DDADHP OC1(CC[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246185213 892469726 /nfs/dbraw/zinc/46/97/26/892469726.db2.gz BLRXAFFBLROBFO-ZWKOTPCHSA-N 2 3 317.477 1.444 20 0 DDADHP COc1ccccc1C1([NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNCC1 ZINC001246376105 892584230 /nfs/dbraw/zinc/58/42/30/892584230.db2.gz LLMGQZPDFSEPAQ-ZSHCYNCHSA-N 2 3 315.461 1.862 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+][C@H](C3CCC3)C3C[NH2+]C3)C[C@H](C1)N2 ZINC001246521132 892673501 /nfs/dbraw/zinc/67/35/01/892673501.db2.gz ZGXHJYOVQZCUOP-IASARZQZSA-N 2 3 321.465 1.036 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246653978 892769039 /nfs/dbraw/zinc/76/90/39/892769039.db2.gz GCTGXLSCZIGNKK-YJNKXOJESA-N 2 3 317.399 1.992 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246653978 892769046 /nfs/dbraw/zinc/76/90/46/892769046.db2.gz GCTGXLSCZIGNKK-YJNKXOJESA-N 2 3 317.399 1.992 20 0 DDADHP CN1CCC(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+]2CCCCC2)CC1 ZINC000422789330 530049484 /nfs/dbraw/zinc/04/94/84/530049484.db2.gz OCOHOAOWSQIJFP-JWTNVVGKSA-N 2 3 320.525 1.809 20 0 DDADHP C[NH+](C)CCOCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423067689 227334383 /nfs/dbraw/zinc/33/43/83/227334383.db2.gz HVGDXILGNHUXRT-FUHWJXTLSA-N 2 3 319.449 1.410 20 0 DDADHP C[NH2+]CCOCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000629531532 422711860 /nfs/dbraw/zinc/71/18/60/422711860.db2.gz OCYSIZSOMIKKTM-QGZVFWFLSA-N 2 3 319.493 1.908 20 0 DDADHP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCCCCC[NH3+])CC1 ZINC000846221760 703252672 /nfs/dbraw/zinc/25/26/72/703252672.db2.gz NSDKUIJXNPAXTR-QZTJIDSGSA-N 2 3 310.530 1.996 20 0 DDADHP C[NH+]1CCC(N2CC[C@H](N[C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)CC1 ZINC000925482824 714870538 /nfs/dbraw/zinc/87/05/38/714870538.db2.gz OEVLFIAIZKBVSG-RANZSIQMSA-N 2 3 320.525 1.521 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205580 860524740 /nfs/dbraw/zinc/52/47/40/860524740.db2.gz OGJDSVYYZCLFBU-KRWDZBQOSA-N 2 3 324.513 1.284 20 0 DDADHP CN[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161447497 866674285 /nfs/dbraw/zinc/67/42/85/866674285.db2.gz XRBSXOPHVPMSDR-SJORKVTESA-N 2 3 318.465 1.089 20 0 DDADHP CN(C)CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001161449910 866674549 /nfs/dbraw/zinc/67/45/49/866674549.db2.gz VFNPKNJGOHEGHS-HMQMGEFJSA-N 2 3 322.497 1.049 20 0 DDADHP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001219999094 878642747 /nfs/dbraw/zinc/64/27/47/878642747.db2.gz KBAWXNBILXLPCX-HZPDHXFCSA-N 2 3 304.438 1.006 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250691 879616185 /nfs/dbraw/zinc/61/61/85/879616185.db2.gz VINKLOXMEQKNQG-FUHWJXTLSA-N 2 3 324.513 1.521 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+](CC3(C)CC[NH2+]CC3)C[C@@H]1CNCCC2 ZINC001222125074 880272187 /nfs/dbraw/zinc/27/21/87/880272187.db2.gz FCPGMBFDISVKFK-YJBOKZPZSA-N 2 3 323.481 1.241 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+](CC3(C)CC[NH2+]CC3)C[C@@H]1CNCCC2 ZINC001222125074 880272194 /nfs/dbraw/zinc/27/21/94/880272194.db2.gz FCPGMBFDISVKFK-YJBOKZPZSA-N 2 3 323.481 1.241 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+][C@H]3CO[C@@]4(CC[NH2+]C4)C3)CCN2)cc1 ZINC001246153566 892447858 /nfs/dbraw/zinc/44/78/58/892447858.db2.gz SUVLYHDDBQVZNO-MKXGPGLRSA-N 2 3 315.461 1.460 20 0 DDADHP c1ccc(C[C@@H]2C[C@H](N[C@H]3CO[C@@]4(CC[NH2+]C4)C3)CC[NH2+]2)cc1 ZINC001246153566 892447868 /nfs/dbraw/zinc/44/78/68/892447868.db2.gz SUVLYHDDBQVZNO-MKXGPGLRSA-N 2 3 315.461 1.460 20 0 DDADHP COc1ccc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)cc1 ZINC001246416203 892612811 /nfs/dbraw/zinc/61/28/11/892612811.db2.gz OIQDFKVXHISNHA-UHFFFAOYSA-N 2 3 303.450 1.658 20 0 DDADHP c1cncc(CC2(N[C@H]3CSC4(C[NH2+]C4)C3)CC[NH2+]CC2)c1 ZINC001246419141 892615129 /nfs/dbraw/zinc/61/51/29/892615129.db2.gz FNPYCRLOKOTKLI-OAHLLOKOSA-N 2 3 318.490 1.183 20 0 DDADHP c1cncc(CC2([NH2+][C@H]3CSC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246419141 892615135 /nfs/dbraw/zinc/61/51/35/892615135.db2.gz FNPYCRLOKOTKLI-OAHLLOKOSA-N 2 3 318.490 1.183 20 0 DDADHP NC1=CC=C(C2CC[NH+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC2)NC1 ZINC001246495474 892658627 /nfs/dbraw/zinc/65/86/27/892658627.db2.gz POKQIBMUKMTSRC-HKUYNNGSSA-N 2 3 316.493 1.950 20 0 DDADHP NC(=[NH2+])SCCSC(=[NH2+])NC1CCN(C2CC2)CC1 ZINC001256069201 897266553 /nfs/dbraw/zinc/26/65/53/897266553.db2.gz UXJBVLHMUKOKAQ-UHFFFAOYSA-N 2 3 301.485 1.497 20 0 DDADHP C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000635010700 422765372 /nfs/dbraw/zinc/76/53/72/422765372.db2.gz UYJBFXMYCYWUNG-CQSZACIVSA-N 2 3 303.454 1.633 20 0 DDADHP C[C@H]1C[C@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000414755457 224385955 /nfs/dbraw/zinc/38/59/55/224385955.db2.gz PEOQMVVBEKMFKD-ZWKOTPCHSA-N 2 3 322.541 1.724 20 0 DDADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422893591 227245773 /nfs/dbraw/zinc/24/57/73/227245773.db2.gz AIKPBVNVWCUXRD-QGTPRVQTSA-N 2 3 321.465 1.469 20 0 DDADHP CCOC(=O)C1([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]CC1 ZINC000422900961 419971905 /nfs/dbraw/zinc/97/19/05/419971905.db2.gz RERHIABJGPBSIM-HRCADAONSA-N 2 3 323.481 1.524 20 0 DDADHP CCOC(=O)C1([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH2+]CC1 ZINC000422900961 419971911 /nfs/dbraw/zinc/97/19/11/419971911.db2.gz RERHIABJGPBSIM-HRCADAONSA-N 2 3 323.481 1.524 20 0 DDADHP C[C@H]1CN(CC2CC[NH+](CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000178979475 300252251 /nfs/dbraw/zinc/25/22/51/300252251.db2.gz FVPKDXICAYOGKN-HOTGVXAUSA-N 2 3 309.498 1.807 20 0 DDADHP O[C@@H](CNC1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000863552534 705955784 /nfs/dbraw/zinc/95/57/84/705955784.db2.gz SUYOKGSJFKTKBC-ABHNRTSZSA-N 2 3 309.498 1.830 20 0 DDADHP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)C(=O)NCC[NH+](C)C ZINC000893259281 710581502 /nfs/dbraw/zinc/58/15/02/710581502.db2.gz DCQVBNPANXAHLD-HMQMGEFJSA-N 2 3 324.513 1.294 20 0 DDADHP [NH3+]C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C(F)(F)F ZINC000923428598 714352733 /nfs/dbraw/zinc/35/27/33/714352733.db2.gz YEDSSNLCUSBZSN-URSGVKGYSA-N 2 3 305.388 1.976 20 0 DDADHP N[C@@H](C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001158031986 864371721 /nfs/dbraw/zinc/37/17/21/864371721.db2.gz PLRFBIBDJMLATP-SJLPKXTDSA-N 2 3 322.497 1.086 20 0 DDADHP C[NH+](C)CCN(C(=O)c1ccc2c(c1)CNC2)[C@@H]1CCC[NH2+]C1 ZINC001161450716 866674115 /nfs/dbraw/zinc/67/41/15/866674115.db2.gz IWAQODOMRQYSAK-QGZVFWFLSA-N 2 3 316.449 1.046 20 0 DDADHP C[C@@H]1CCN(Cc2ccccc2N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001205303659 871489750 /nfs/dbraw/zinc/48/97/50/871489750.db2.gz JCKDMAHEPUDKFM-WBVHZDCISA-N 2 3 302.466 1.513 20 0 DDADHP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](C[C@H]1CCCN(C)C1)CC2 ZINC001276498636 872657069 /nfs/dbraw/zinc/65/70/69/872657069.db2.gz XLTPQHXTVMRQFF-SFHVURJKSA-N 2 3 322.541 1.678 20 0 DDADHP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](C[C@H]1CCCN(C)C1)CC2 ZINC001276498636 872657073 /nfs/dbraw/zinc/65/70/73/872657073.db2.gz XLTPQHXTVMRQFF-SFHVURJKSA-N 2 3 322.541 1.678 20 0 DDADHP c1cc(C[N@@H+]2CCCC23CCNCC3)cc(N2CC[NH2+]CC2)c1 ZINC001235143358 888434519 /nfs/dbraw/zinc/43/45/19/888434519.db2.gz CDTIVYCYNQPZKT-UHFFFAOYSA-N 2 3 314.477 1.814 20 0 DDADHP c1cc(C[N@H+]2CCCC23CCNCC3)cc(N2CC[NH2+]CC2)c1 ZINC001235143358 888434529 /nfs/dbraw/zinc/43/45/29/888434529.db2.gz CDTIVYCYNQPZKT-UHFFFAOYSA-N 2 3 314.477 1.814 20 0 DDADHP CCCN(Cc1cccc(N2CC[NH2+]CC2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836843 889377112 /nfs/dbraw/zinc/37/71/12/889377112.db2.gz YJVWUNRCAGDMOE-GOSISDBHSA-N 2 3 316.493 1.918 20 0 DDADHP c1cc2n(c1)C[C@@H](CC[NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3)C[NH2+]C2 ZINC001246144595 892438483 /nfs/dbraw/zinc/43/84/83/892438483.db2.gz XJTIYJLEXUWBQH-MWDXBVQZSA-N 2 3 302.466 1.860 20 0 DDADHP c1ccc([C@@H]2C[C@H](N[C@H]3CO[C@]4(CC[NH2+]C4)C3)CC[NH2+]2)cc1 ZINC001246150120 892443363 /nfs/dbraw/zinc/44/33/63/892443363.db2.gz FLBNEHBKPWJQTF-ZJPYXAASSA-N 2 3 301.434 1.590 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246250030 892499728 /nfs/dbraw/zinc/49/97/28/892499728.db2.gz SNGQNXKRKRDPEU-XHSDSOJGSA-N 2 3 309.498 1.901 20 0 DDADHP CCOC(=O)CC1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246327872 892541675 /nfs/dbraw/zinc/54/16/75/892541675.db2.gz VBPVIOJZKXDUQJ-NVXWUHKLSA-N 2 3 323.481 1.574 20 0 DDADHP C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332175 892544180 /nfs/dbraw/zinc/54/41/80/892544180.db2.gz FDRRVCUMNFWOMU-RDJZCZTQSA-N 2 3 302.466 1.177 20 0 DDADHP C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332175 892544194 /nfs/dbraw/zinc/54/41/94/892544194.db2.gz FDRRVCUMNFWOMU-RDJZCZTQSA-N 2 3 302.466 1.177 20 0 DDADHP COC(=O)CC1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246362706 892571340 /nfs/dbraw/zinc/57/13/40/892571340.db2.gz GYBHCMMZQRNQDP-AWEZNQCLSA-N 2 3 309.454 1.184 20 0 DDADHP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010027 893077061 /nfs/dbraw/zinc/07/70/61/893077061.db2.gz UTEJINFIJMUEAD-CABCVRRESA-N 2 3 321.465 1.136 20 0 DDADHP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010027 893077083 /nfs/dbraw/zinc/07/70/83/893077083.db2.gz UTEJINFIJMUEAD-CABCVRRESA-N 2 3 321.465 1.136 20 0 DDADHP CCOC(=O)[C@@H]1CN([C@@H]2CC[NH2+]C3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010027 893077105 /nfs/dbraw/zinc/07/71/05/893077105.db2.gz UTEJINFIJMUEAD-CABCVRRESA-N 2 3 321.465 1.136 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000635007668 422762600 /nfs/dbraw/zinc/76/26/00/422762600.db2.gz GBDHSCAXUGMOAN-CABCVRRESA-N 2 3 301.438 1.530 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000635007668 422762608 /nfs/dbraw/zinc/76/26/08/422762608.db2.gz GBDHSCAXUGMOAN-CABCVRRESA-N 2 3 301.438 1.530 20 0 DDADHP C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000635010699 422766785 /nfs/dbraw/zinc/76/67/85/422766785.db2.gz UYJBFXMYCYWUNG-AWEZNQCLSA-N 2 3 303.454 1.633 20 0 DDADHP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359221381 299362142 /nfs/dbraw/zinc/36/21/42/299362142.db2.gz PKQKZQSULQVARJ-ROUUACIJSA-N 2 3 322.541 1.867 20 0 DDADHP CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000647794247 423050446 /nfs/dbraw/zinc/05/04/46/423050446.db2.gz VWLHSVICIPPNOY-BRWVUGGUSA-N 2 3 318.465 1.500 20 0 DDADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000647789499 423048150 /nfs/dbraw/zinc/04/81/50/423048150.db2.gz GMPQJGBZQNDONK-DUQPFJRNSA-N 2 3 309.498 1.854 20 0 DDADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000423032828 227319346 /nfs/dbraw/zinc/31/93/46/227319346.db2.gz NEPWEBNEIWIILT-MAUKXSAKSA-N 2 3 305.466 1.860 20 0 DDADHP C[C@@H](NCCOCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629539606 422718276 /nfs/dbraw/zinc/71/82/76/422718276.db2.gz QMJRZZIUFQYFDI-SJLPKXTDSA-N 2 3 305.466 1.852 20 0 DDADHP C[C@@H](NCCOCCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629539606 422718282 /nfs/dbraw/zinc/71/82/82/422718282.db2.gz QMJRZZIUFQYFDI-SJLPKXTDSA-N 2 3 305.466 1.852 20 0 DDADHP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414738488 528095468 /nfs/dbraw/zinc/09/54/68/528095468.db2.gz PAVWOGNZZZYLCJ-KRWDZBQOSA-N 2 3 324.513 1.238 20 0 DDADHP CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422858535 529144997 /nfs/dbraw/zinc/14/49/97/529144997.db2.gz IYNPCYLDFGGKBW-KZNAEPCWSA-N 2 3 308.514 1.524 20 0 DDADHP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788475675 699317319 /nfs/dbraw/zinc/31/73/19/699317319.db2.gz IXSPPAIQOJCVIC-QZTJIDSGSA-N 2 3 322.541 1.819 20 0 DDADHP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000903948964 711345528 /nfs/dbraw/zinc/34/55/28/711345528.db2.gz WQJDOCVYKFTRCI-QGZVFWFLSA-N 2 3 324.513 1.382 20 0 DDADHP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000903948964 711345532 /nfs/dbraw/zinc/34/55/32/711345532.db2.gz WQJDOCVYKFTRCI-QGZVFWFLSA-N 2 3 324.513 1.382 20 0 DDADHP N[C@@H](CCC[NH3+])Nc1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001170902450 771901645 /nfs/dbraw/zinc/90/16/45/771901645.db2.gz CMSBSWQHXUMDMW-BRWVUGGUSA-N 2 3 306.454 1.909 20 0 DDADHP [NH3+]CCCC[NH2+]CCCNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001162291368 867416022 /nfs/dbraw/zinc/41/60/22/867416022.db2.gz CVCNNTXSHBCNAU-UHFFFAOYSA-N 3 3 320.485 1.140 20 0 DDADHP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3N3CC[NH2+]CC3)C[C@H]12 ZINC001236818914 889372657 /nfs/dbraw/zinc/37/26/57/889372657.db2.gz KYRSUZINARZIJT-BHYGNILZSA-N 2 3 300.450 1.265 20 0 DDADHP CN1CCC([N@H+](CCC23CC([NH3+])(C2)C3)C2CCNCC2)CC1 ZINC001237036812 889475523 /nfs/dbraw/zinc/47/55/23/889475523.db2.gz CRQOFISDROASPG-UHFFFAOYSA-N 2 3 306.498 1.406 20 0 DDADHP CN1CCC([N@@H+](CCC23CC([NH3+])(C2)C3)C2CCNCC2)CC1 ZINC001237036812 889475534 /nfs/dbraw/zinc/47/55/34/889475534.db2.gz CRQOFISDROASPG-UHFFFAOYSA-N 2 3 306.498 1.406 20 0 DDADHP CN(C)CCC[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278048698 889491324 /nfs/dbraw/zinc/49/13/24/889491324.db2.gz ADJQTVLZKFDONU-UHFFFAOYSA-N 2 3 305.470 1.649 20 0 DDADHP CN(C)CCC[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278048698 889491332 /nfs/dbraw/zinc/49/13/32/889491332.db2.gz ADJQTVLZKFDONU-UHFFFAOYSA-N 2 3 305.470 1.649 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+][C@H]3CC[NH2+]CC[C@H]3C)C[C@H](C1)N2 ZINC001246099370 892415710 /nfs/dbraw/zinc/41/57/10/892415710.db2.gz WVJQUFJWCKUUGX-MQPNKABOSA-N 2 3 309.454 1.036 20 0 DDADHP CC(C)[C@@H]1C[C@@H](N2CCC(OC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246661869 892773577 /nfs/dbraw/zinc/77/35/77/892773577.db2.gz MJXUUHRQQQILTI-YJBOKZPZSA-N 2 3 309.498 1.996 20 0 DDADHP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CCC12C[NH2+]C2 ZINC001247004443 893075276 /nfs/dbraw/zinc/07/52/76/893075276.db2.gz CEJQQVOGAOUNED-FZKCQIBNSA-N 2 3 321.465 1.134 20 0 DDADHP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CCC12C[NH2+]C2 ZINC001247004443 893075295 /nfs/dbraw/zinc/07/52/95/893075295.db2.gz CEJQQVOGAOUNED-FZKCQIBNSA-N 2 3 321.465 1.134 20 0 DDADHP CCOC(=O)[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247004443 893075315 /nfs/dbraw/zinc/07/53/15/893075315.db2.gz CEJQQVOGAOUNED-FZKCQIBNSA-N 2 3 321.465 1.134 20 0 DDADHP C[C@H]1C[C@@H](NCCN(C)CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256528206 897462158 /nfs/dbraw/zinc/46/21/58/897462158.db2.gz CKKNHCVTDFCCCF-WMZOPIPTSA-N 2 3 304.482 1.520 20 0 DDADHP C[C@H]1C[C@@H](NCCN(C)CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256528206 897462166 /nfs/dbraw/zinc/46/21/66/897462166.db2.gz CKKNHCVTDFCCCF-WMZOPIPTSA-N 2 3 304.482 1.520 20 0 DDADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903751541 711267997 /nfs/dbraw/zinc/26/79/97/711267997.db2.gz KKLKONDPFAAHJL-IKGGRYGDSA-N 2 3 307.482 1.609 20 0 DDADHP CCN1CCN(C[C@H](C)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925493746 714872875 /nfs/dbraw/zinc/87/28/75/714872875.db2.gz YVWVJAUCCOBFOO-ZACQAIPSSA-N 2 3 310.530 1.756 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925530360 714881627 /nfs/dbraw/zinc/88/16/27/714881627.db2.gz KBASCVADKYSANT-OALUTQOASA-N 2 3 322.541 1.770 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424244 866653160 /nfs/dbraw/zinc/65/31/60/866653160.db2.gz DDVFCNZDDBHQHQ-KRWDZBQOSA-N 2 3 318.465 1.224 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246972612 893036862 /nfs/dbraw/zinc/03/68/62/893036862.db2.gz DAXJOFLWFCBUNR-IKGGRYGDSA-N 2 3 308.514 1.651 20 0 DDADHP C[NH+](C)CCN1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256855188 897604495 /nfs/dbraw/zinc/60/44/95/897604495.db2.gz HJPFHJFUMSHSSJ-UHFFFAOYSA-N 2 3 317.481 1.230 20 0 DDADHP N[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc21 ZINC000333778905 249103813 /nfs/dbraw/zinc/10/38/13/249103813.db2.gz DKFFLLHRGMLKTQ-QIRNKGDASA-N 2 3 314.477 1.937 20 0 DDADHP [NH3+]CCCOCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000629398552 422651591 /nfs/dbraw/zinc/65/15/91/422651591.db2.gz VBCUVCSTFZOIBK-UHFFFAOYSA-N 2 3 305.466 1.649 20 0 DDADHP NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000873231900 707778846 /nfs/dbraw/zinc/77/88/46/707778846.db2.gz SLDFLBZHNCLUMQ-JKSUJKDBSA-N 2 3 322.497 1.086 20 0 DDADHP Cc1c(C[C@H](CN)C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cnn1C ZINC000903918659 711331831 /nfs/dbraw/zinc/33/18/31/711331831.db2.gz DTUHIZJGGVHBQB-BZUAXINKSA-N 2 3 307.486 1.201 20 0 DDADHP C[C@H]1CC[C@H](C[NH3+])CN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001206771312 872562591 /nfs/dbraw/zinc/56/25/91/872562591.db2.gz VYGKNTYZFBYMFM-DOTOQJQBSA-N 2 3 302.466 1.655 20 0 DDADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220062139 878680671 /nfs/dbraw/zinc/68/06/71/878680671.db2.gz NRSPGJFAFZPUNO-CVEARBPZSA-N 2 3 312.502 1.426 20 0 DDADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220062139 878680678 /nfs/dbraw/zinc/68/06/78/878680678.db2.gz NRSPGJFAFZPUNO-CVEARBPZSA-N 2 3 312.502 1.426 20 0 DDADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220062204 878681872 /nfs/dbraw/zinc/68/18/72/878681872.db2.gz QBHLSEKYDKMRLW-HZPDHXFCSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220062204 878681886 /nfs/dbraw/zinc/68/18/86/878681886.db2.gz QBHLSEKYDKMRLW-HZPDHXFCSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220062204 878681897 /nfs/dbraw/zinc/68/18/97/878681897.db2.gz QBHLSEKYDKMRLW-HZPDHXFCSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220062204 878681910 /nfs/dbraw/zinc/68/19/10/878681910.db2.gz QBHLSEKYDKMRLW-HZPDHXFCSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@@H](CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)CC(C)(C)CC[NH3+] ZINC001220763457 879239491 /nfs/dbraw/zinc/23/94/91/879239491.db2.gz CPCACTUITAKHEQ-HUUCEWRRSA-N 2 3 324.513 1.378 20 0 DDADHP C[C@@H](CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)CC(C)(C)CC[NH3+] ZINC001220763457 879239505 /nfs/dbraw/zinc/23/95/05/879239505.db2.gz CPCACTUITAKHEQ-HUUCEWRRSA-N 2 3 324.513 1.378 20 0 DDADHP CN1CCC([N@H+](CCC2CC[NH2+]CC2)C2CCNCC2)CC1 ZINC001237036943 889474497 /nfs/dbraw/zinc/47/44/97/889474497.db2.gz DSRLBNOVOLMSFS-UHFFFAOYSA-N 2 3 308.514 1.524 20 0 DDADHP CN1CCC([N@@H+](CCC2CC[NH2+]CC2)C2CCNCC2)CC1 ZINC001237036943 889474505 /nfs/dbraw/zinc/47/45/05/889474505.db2.gz DSRLBNOVOLMSFS-UHFFFAOYSA-N 2 3 308.514 1.524 20 0 DDADHP C(C[C@H]1CCOC12CC[NH2+]CC2)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246138941 892436418 /nfs/dbraw/zinc/43/64/18/892436418.db2.gz LLTDLPAKYIUJIM-JKSUJKDBSA-N 2 3 307.482 1.800 20 0 DDADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001246145828 892441685 /nfs/dbraw/zinc/44/16/85/892441685.db2.gz FHLWSTLIZACBCG-QBPKDAKJSA-N 2 3 307.482 1.655 20 0 DDADHP COC(=O)CC1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246362094 892567984 /nfs/dbraw/zinc/56/79/84/892567984.db2.gz FGGWSYSXZACAGQ-HOCLYGCPSA-N 2 3 309.454 1.184 20 0 DDADHP [NH3+]Cc1ccccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683481 897536883 /nfs/dbraw/zinc/53/68/83/897536883.db2.gz DAOKJUOJIDALHX-UHFFFAOYSA-N 2 3 303.450 1.878 20 0 DDADHP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC000591582977 355330876 /nfs/dbraw/zinc/33/08/76/355330876.db2.gz XDAQSHQARCCRQH-CABCVRRESA-N 2 3 323.481 1.572 20 0 DDADHP CCOC(=O)C1([C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]CC1 ZINC000591582977 355330878 /nfs/dbraw/zinc/33/08/78/355330878.db2.gz XDAQSHQARCCRQH-CABCVRRESA-N 2 3 323.481 1.572 20 0 DDADHP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)NCCN(C)C ZINC000647793907 423050829 /nfs/dbraw/zinc/05/08/29/423050829.db2.gz LQVUPETXUCRNKL-TWMKSMIVSA-N 2 3 324.513 1.057 20 0 DDADHP CN(C)CCN(CC[NH+](C)C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000517021527 421589052 /nfs/dbraw/zinc/58/90/52/421589052.db2.gz IBVPWEHSUWTKTJ-INIZCTEOSA-N 2 3 312.502 1.203 20 0 DDADHP CN(C)CCN(CC[NH+](C)C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000517021527 421589054 /nfs/dbraw/zinc/58/90/54/421589054.db2.gz IBVPWEHSUWTKTJ-INIZCTEOSA-N 2 3 312.502 1.203 20 0 DDADHP C[NH+](C)[C@@H]1CCCN(CCN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000370697123 307133041 /nfs/dbraw/zinc/13/30/41/307133041.db2.gz JQBAICAMLWNTHL-HDICACEKSA-N 2 3 310.530 1.819 20 0 DDADHP C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000675871733 486057636 /nfs/dbraw/zinc/05/76/36/486057636.db2.gz AFZWBJYVJSVUPM-NVXWUHKLSA-N 2 3 308.514 1.475 20 0 DDADHP C([C@H]1CCCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903783831 711279803 /nfs/dbraw/zinc/27/98/03/711279803.db2.gz FCJPUZJEEAZOFM-RYQLBKOJSA-N 2 3 306.498 1.277 20 0 DDADHP C([C@H]1CCCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903783831 711279804 /nfs/dbraw/zinc/27/98/04/711279804.db2.gz FCJPUZJEEAZOFM-RYQLBKOJSA-N 2 3 306.498 1.277 20 0 DDADHP C([C@H]1CCCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903783831 711279806 /nfs/dbraw/zinc/27/98/06/711279806.db2.gz FCJPUZJEEAZOFM-RYQLBKOJSA-N 2 3 306.498 1.277 20 0 DDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917894 711331436 /nfs/dbraw/zinc/33/14/36/711331436.db2.gz OILAQJAAKNWZQA-ZACQAIPSSA-N 2 3 319.497 1.167 20 0 DDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917894 711331437 /nfs/dbraw/zinc/33/14/37/711331437.db2.gz OILAQJAAKNWZQA-ZACQAIPSSA-N 2 3 319.497 1.167 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917894 711331440 /nfs/dbraw/zinc/33/14/40/711331440.db2.gz OILAQJAAKNWZQA-ZACQAIPSSA-N 2 3 319.497 1.167 20 0 DDADHP COCC1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC[NH2+]CC1 ZINC000925699655 714917024 /nfs/dbraw/zinc/91/70/24/714917024.db2.gz LNBMWHZCGWGXJU-IRXDYDNUSA-N 2 3 309.498 1.761 20 0 DDADHP N[C@@H](CCC[NH3+])Nc1ccc([C@]23CC[NH2+][C@H]2COCC3)cc1 ZINC001170900044 771898775 /nfs/dbraw/zinc/89/87/75/771898775.db2.gz OKFUVZGQTKONPK-GVDBMIGSSA-N 2 3 304.438 1.142 20 0 DDADHP CC[NH+](CC)CCNC(=N)Nc1nccc(C2CC[NH2+]CC2)n1 ZINC001163129418 868135659 /nfs/dbraw/zinc/13/56/59/868135659.db2.gz WZSRRYHLIQGUQH-UHFFFAOYSA-N 2 3 319.457 1.222 20 0 DDADHP C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001206767614 872562393 /nfs/dbraw/zinc/56/23/93/872562393.db2.gz CNMNEDTUKOZFKY-LPHOPBHVSA-N 2 3 316.493 1.651 20 0 DDADHP O[C@@]1(CNCC2(c3ccc(Cl)cc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246001532 892320618 /nfs/dbraw/zinc/32/06/18/892320618.db2.gz SJRJXZCAORTOKL-KRWDZBQOSA-N 2 3 323.868 1.275 20 0 DDADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+][C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246340667 892550651 /nfs/dbraw/zinc/55/06/51/892550651.db2.gz MHZXMZSXXLTQQU-ZNMIVQPWSA-N 2 3 304.463 1.169 20 0 DDADHP c1cncc([C@@H]2[NH2+]CC[C@H]2CN[C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246340667 892550658 /nfs/dbraw/zinc/55/06/58/892550658.db2.gz MHZXMZSXXLTQQU-ZNMIVQPWSA-N 2 3 304.463 1.169 20 0 DDADHP [NH3+]CCNCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246407776 892607131 /nfs/dbraw/zinc/60/71/31/892607131.db2.gz ZUTCPEKBYQLHHK-NNZMDNLPSA-N 2 3 302.466 1.320 20 0 DDADHP [NH3+]CCNCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246407776 892607137 /nfs/dbraw/zinc/60/71/37/892607137.db2.gz ZUTCPEKBYQLHHK-NNZMDNLPSA-N 2 3 302.466 1.320 20 0 DDADHP CN(C)CCOc1cnccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423133153 227371743 /nfs/dbraw/zinc/37/17/43/227371743.db2.gz VNYGHLMHROEVEH-UHFFFAOYSA-N 2 3 306.454 1.629 20 0 DDADHP CCN1CCN(c2ccccc2C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000346689911 410088094 /nfs/dbraw/zinc/08/80/94/410088094.db2.gz RGMMHIOVFRRIJH-UHFFFAOYSA-N 2 3 316.493 1.999 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423035210 227322082 /nfs/dbraw/zinc/32/20/82/227322082.db2.gz RCUSQIOPAMKCIY-KFKAGJAMSA-N 2 3 317.477 1.860 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423035210 227322088 /nfs/dbraw/zinc/32/20/88/227322088.db2.gz RCUSQIOPAMKCIY-KFKAGJAMSA-N 2 3 317.477 1.860 20 0 DDADHP CCN1CCC[C@H]1CNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000365418721 418859411 /nfs/dbraw/zinc/85/94/11/418859411.db2.gz PAUXZOAJGKCIQU-PCKAHOCUSA-N 2 3 307.486 1.602 20 0 DDADHP COc1ccc([C@H](C[NH3+])CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000420313964 420200814 /nfs/dbraw/zinc/20/08/14/420200814.db2.gz UVRBIFDFDCMIEV-BURFUSLBSA-N 2 3 303.450 1.797 20 0 DDADHP CC[N@H+](CCC1CCN(CCN2CC[NH2+]CC2)CC1)CC1CC1 ZINC000420370628 420243966 /nfs/dbraw/zinc/24/39/66/420243966.db2.gz JYNYOUJKCLBMIP-UHFFFAOYSA-N 2 3 322.541 1.726 20 0 DDADHP CC[N@@H+](CCC1CCN(CCN2CC[NH2+]CC2)CC1)CC1CC1 ZINC000420370628 420243970 /nfs/dbraw/zinc/24/39/70/420243970.db2.gz JYNYOUJKCLBMIP-UHFFFAOYSA-N 2 3 322.541 1.726 20 0 DDADHP C[N@@H+]1CCC[C@@H](N2CCN(CCCC3CC[NH2+]CC3)CC2)C1 ZINC000649414706 423889527 /nfs/dbraw/zinc/88/95/27/423889527.db2.gz ROOYVXHWWOOTPD-GOSISDBHSA-N 2 3 308.514 1.478 20 0 DDADHP C[N@H+]1CCC[C@@H](N2CCN(CCCC3CC[NH2+]CC3)CC2)C1 ZINC000649414706 423889541 /nfs/dbraw/zinc/88/95/41/423889541.db2.gz ROOYVXHWWOOTPD-GOSISDBHSA-N 2 3 308.514 1.478 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)CC[NH2+]CC1 ZINC000423211854 279529234 /nfs/dbraw/zinc/52/92/34/279529234.db2.gz HLEJZWHUAUFQKG-SOUVJXGZSA-N 2 3 311.470 1.286 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+]CC2=CCN(C)CC2)CC[NH2+]CC1 ZINC000423019410 528611201 /nfs/dbraw/zinc/61/12/01/528611201.db2.gz VNCNLCSMWBZTMF-AWEZNQCLSA-N 2 3 309.454 1.159 20 0 DDADHP NCc1cn(-c2cccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c2)nn1 ZINC000873215773 707772172 /nfs/dbraw/zinc/77/21/72/707772172.db2.gz FKIZFADSQXOBCD-KGLIPLIRSA-N 2 3 300.410 1.086 20 0 DDADHP C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873295050 707801676 /nfs/dbraw/zinc/80/16/76/707801676.db2.gz XZQDVEGJTFQTHV-LUKYLMHMSA-N 2 3 307.482 1.655 20 0 DDADHP C(C[NH+]1CCCC1)OC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903741133 711264436 /nfs/dbraw/zinc/26/44/36/711264436.db2.gz NFOBACVUXPIRFX-KRWDZBQOSA-N 2 3 309.498 1.953 20 0 DDADHP C[C@@]1(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904388362 711850879 /nfs/dbraw/zinc/85/08/79/711850879.db2.gz HZMGDWBOZPVDFW-FGTMMUONSA-N 2 3 306.498 1.277 20 0 DDADHP CN1CCN(c2ccc(C[N@@H+]3CCC[C@](C)([NH3+])CC3)cn2)CC1 ZINC001205280888 871483068 /nfs/dbraw/zinc/48/30/68/871483068.db2.gz LAJPWPCSWHEGDV-SFHVURJKSA-N 2 3 317.481 1.537 20 0 DDADHP CN1CCN(c2ccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)cn2)CC1 ZINC001205280888 871483083 /nfs/dbraw/zinc/48/30/83/871483083.db2.gz LAJPWPCSWHEGDV-SFHVURJKSA-N 2 3 317.481 1.537 20 0 DDADHP c1cn(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC[NH2+]CC2)cn1 ZINC001276713831 876438555 /nfs/dbraw/zinc/43/85/55/876438555.db2.gz NCSCCXLOYHIAFI-AYHJJNSGSA-N 2 3 317.481 1.468 20 0 DDADHP c1cn(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC[NH2+]CC2)cn1 ZINC001276713831 876438562 /nfs/dbraw/zinc/43/85/62/876438562.db2.gz NCSCCXLOYHIAFI-AYHJJNSGSA-N 2 3 317.481 1.468 20 0 DDADHP [NH3+]C1([C@@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]2CF)CC1 ZINC001235396012 888613897 /nfs/dbraw/zinc/61/38/97/888613897.db2.gz HTCUHMWKEGINAT-GXTWGEPZSA-N 2 3 309.454 1.903 20 0 DDADHP C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CCCC[C@@H]1N ZINC001236220179 889145770 /nfs/dbraw/zinc/14/57/70/889145770.db2.gz YMRNJQKDEFYYMF-ROUUACIJSA-N 2 3 302.466 1.798 20 0 DDADHP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CCCC[C@@H]1N ZINC001236220179 889145783 /nfs/dbraw/zinc/14/57/83/889145783.db2.gz YMRNJQKDEFYYMF-ROUUACIJSA-N 2 3 302.466 1.798 20 0 DDADHP F[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246222733 892487713 /nfs/dbraw/zinc/48/77/13/892487713.db2.gz NICYSAAKVDJPNB-ZJPYXAASSA-N 2 3 305.441 1.887 20 0 DDADHP CN(CCC[NH3+])CCC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246285683 892513337 /nfs/dbraw/zinc/51/33/37/892513337.db2.gz UISBRLLDGIQFFX-MSOLQXFVSA-N 2 3 304.482 1.740 20 0 DDADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CCN1 ZINC001246296169 892520483 /nfs/dbraw/zinc/52/04/83/892520483.db2.gz YLRIAPONWMLIDZ-QAPCUYQASA-N 2 3 309.498 1.855 20 0 DDADHP c1ccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)nc1 ZINC001246425349 892620082 /nfs/dbraw/zinc/62/00/82/892620082.db2.gz AKLVCDJTMUQRAT-FVQHAEBGSA-N 2 3 314.477 1.966 20 0 DDADHP c1ccc(C2(CN[C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)nc1 ZINC001246425349 892620093 /nfs/dbraw/zinc/62/00/93/892620093.db2.gz AKLVCDJTMUQRAT-FVQHAEBGSA-N 2 3 314.477 1.966 20 0 DDADHP [NH3+]CCCNCCC[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001246454483 892634619 /nfs/dbraw/zinc/63/46/19/892634619.db2.gz UNRSOSNHFNLNQB-IBGZPJMESA-N 2 3 318.509 1.959 20 0 DDADHP c1ccc(CC2([NH2+][C@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246457279 892636841 /nfs/dbraw/zinc/63/68/41/892636841.db2.gz IITMAFAXMVBHHZ-KRWDZBQOSA-N 2 3 315.461 1.462 20 0 DDADHP COC(=O)[C@H]1C[C@H](N)C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246797940 892906090 /nfs/dbraw/zinc/90/60/90/892906090.db2.gz QOTRDOATSCMCPN-KBPBESRZSA-N 2 3 309.454 1.121 20 0 DDADHP COC(=O)[C@H]1C[C@H](N)C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246797940 892906100 /nfs/dbraw/zinc/90/61/00/892906100.db2.gz QOTRDOATSCMCPN-KBPBESRZSA-N 2 3 309.454 1.121 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[nH+]1 ZINC000635011799 422765020 /nfs/dbraw/zinc/76/50/20/422765020.db2.gz PDXFSYPFRVENGX-YESZJQIVSA-N 2 3 315.465 1.824 20 0 DDADHP CC(C)C[C@@H]([NH3+])CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415137972 419960793 /nfs/dbraw/zinc/96/07/93/419960793.db2.gz UPBOFDKPGGBBHK-GOSISDBHSA-N 2 3 318.509 1.943 20 0 DDADHP C[C@@H]([NH3+])C[C@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423533652 420074778 /nfs/dbraw/zinc/07/47/78/420074778.db2.gz YDDFRBJEZYYPJN-CVEARBPZSA-N 2 3 304.482 1.695 20 0 DDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635467223 422017245 /nfs/dbraw/zinc/01/72/45/422017245.db2.gz ZMGSIZCDZLFYKZ-IRXDYDNUSA-N 2 3 324.513 1.203 20 0 DDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635467223 422017251 /nfs/dbraw/zinc/01/72/51/422017251.db2.gz ZMGSIZCDZLFYKZ-IRXDYDNUSA-N 2 3 324.513 1.203 20 0 DDADHP CC[NH+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635467223 422017257 /nfs/dbraw/zinc/01/72/57/422017257.db2.gz ZMGSIZCDZLFYKZ-IRXDYDNUSA-N 2 3 324.513 1.203 20 0 DDADHP CC[NH+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635467223 422017267 /nfs/dbraw/zinc/01/72/67/422017267.db2.gz ZMGSIZCDZLFYKZ-IRXDYDNUSA-N 2 3 324.513 1.203 20 0 DDADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662312934 424563283 /nfs/dbraw/zinc/56/32/83/424563283.db2.gz HXZACFANQCEIBT-NVXWUHKLSA-N 2 3 324.513 1.426 20 0 DDADHP [NH3+]CC1CCC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000665240526 424765132 /nfs/dbraw/zinc/76/51/32/424765132.db2.gz MXPMQNMJWNQSCX-PPSBMQLTSA-N 2 3 317.477 1.860 20 0 DDADHP NCc1cn(-c2cccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])c2)nn1 ZINC000873243024 707781415 /nfs/dbraw/zinc/78/14/15/707781415.db2.gz IHRGJODPLVYLRF-YOEHRIQHSA-N 2 3 314.437 1.333 20 0 DDADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925609277 714898997 /nfs/dbraw/zinc/89/89/97/714898997.db2.gz RSIQGTHDOXSMSC-FHWLQOOXSA-N 2 3 323.525 1.981 20 0 DDADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925609277 714898999 /nfs/dbraw/zinc/89/89/99/714898999.db2.gz RSIQGTHDOXSMSC-FHWLQOOXSA-N 2 3 323.525 1.981 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161216 864462836 /nfs/dbraw/zinc/46/28/36/864462836.db2.gz NULHCYYLRYVJOK-DOTOQJQBSA-N 2 3 310.486 1.227 20 0 DDADHP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160482429 865878237 /nfs/dbraw/zinc/87/82/37/865878237.db2.gz GPYKPSGUZANYFT-INIZCTEOSA-N 2 3 322.497 1.193 20 0 DDADHP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160482429 865878250 /nfs/dbraw/zinc/87/82/50/865878250.db2.gz GPYKPSGUZANYFT-INIZCTEOSA-N 2 3 322.497 1.193 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220260903 878861003 /nfs/dbraw/zinc/86/10/03/878861003.db2.gz JYQKQAGRSLPMDR-KRWDZBQOSA-N 2 3 324.513 1.604 20 0 DDADHP CCOC(=O)[C@H]1CC2(CN1CC[C@@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC001222215993 880335529 /nfs/dbraw/zinc/33/55/29/880335529.db2.gz RMCZSLAQUOUIEX-JKSUJKDBSA-N 2 3 323.481 1.383 20 0 DDADHP [NH3+]CCCC[NH2+]CCCNC[C@@H](O)CCOCc1ccccc1 ZINC001246010446 892325920 /nfs/dbraw/zinc/32/59/20/892325920.db2.gz NHMHPSNQXOZLLK-SFHVURJKSA-N 2 3 323.481 1.262 20 0 DDADHP c1ccc(C[C@H]2C[C@@H]([NH2+]CCCN3CC[NH2+]CC3)CCN2)cc1 ZINC001246115219 892421167 /nfs/dbraw/zinc/42/11/67/892421167.db2.gz QZZJISOLNQLFPY-OALUTQOASA-N 2 3 316.493 1.235 20 0 DDADHP OC1(CC[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246185210 892469499 /nfs/dbraw/zinc/46/94/99/892469499.db2.gz BLRXAFFBLROBFO-MSOLQXFVSA-N 2 3 317.477 1.444 20 0 DDADHP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246477268 892648160 /nfs/dbraw/zinc/64/81/60/892648160.db2.gz NICYSAAKVDJPNB-FJIDUMEYSA-N 2 3 305.441 1.887 20 0 DDADHP [NH3+]C1CCN([C@H]2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)CC1 ZINC001246974187 893042068 /nfs/dbraw/zinc/04/20/68/893042068.db2.gz JFZIFAFSTHVIMZ-MSOLQXFVSA-N 2 3 320.525 1.939 20 0 DDADHP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000665240496 424764624 /nfs/dbraw/zinc/76/46/24/424764624.db2.gz MAWAYDDSNGTQED-ZWKOTPCHSA-N 2 3 321.465 1.097 20 0 DDADHP C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873295051 707801613 /nfs/dbraw/zinc/80/16/13/707801613.db2.gz XZQDVEGJTFQTHV-QAETUUGQSA-N 2 3 307.482 1.655 20 0 DDADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000903457726 711132644 /nfs/dbraw/zinc/13/26/44/711132644.db2.gz ZPBKGBPJBROUEU-SJORKVTESA-N 2 3 308.514 1.191 20 0 DDADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925609278 714898677 /nfs/dbraw/zinc/89/86/77/714898677.db2.gz RSIQGTHDOXSMSC-GBESFXJTSA-N 2 3 323.525 1.981 20 0 DDADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925609278 714898678 /nfs/dbraw/zinc/89/86/78/714898678.db2.gz RSIQGTHDOXSMSC-GBESFXJTSA-N 2 3 323.525 1.981 20 0 DDADHP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC[NH+](C2CCOCC2)CC1 ZINC000925711185 714919191 /nfs/dbraw/zinc/91/91/91/714919191.db2.gz DRTJPUWMAWZBCP-BSWVEEBUSA-N 2 3 319.493 1.463 20 0 DDADHP [NH3+]C1CCN(CCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000925817784 714943177 /nfs/dbraw/zinc/94/31/77/714943177.db2.gz WYSHAZCNHRFZJP-MSOLQXFVSA-N 2 3 302.466 1.492 20 0 DDADHP O=C1O[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC12CC[NH2+]CC2 ZINC000925849591 714950416 /nfs/dbraw/zinc/95/04/16/714950416.db2.gz QDESLPIJBCUFHE-ZJIFWQFVSA-N 2 3 321.465 1.182 20 0 DDADHP CN(CC[NH3+])CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977111 776565550 /nfs/dbraw/zinc/56/55/50/776565550.db2.gz XIRQXENTZCYJMC-SFHVURJKSA-N 2 3 318.509 1.910 20 0 DDADHP CN(CC[NH3+])CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977111 776565553 /nfs/dbraw/zinc/56/55/53/776565553.db2.gz XIRQXENTZCYJMC-SFHVURJKSA-N 2 3 318.509 1.910 20 0 DDADHP CCC[NH+]1C[C@@H]2C[NH+](C3CCN(CCCOC)CC3)C[C@H]2C1 ZINC001172254024 776740294 /nfs/dbraw/zinc/74/02/94/776740294.db2.gz HBVAKJSLAUTUBN-IAGOWNOFSA-N 2 3 309.498 1.761 20 0 DDADHP C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001205904943 871917097 /nfs/dbraw/zinc/91/70/97/871917097.db2.gz YSVUGHNBUYYLDD-HZPDHXFCSA-N 2 3 302.466 1.655 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218995256 877862786 /nfs/dbraw/zinc/86/27/86/877862786.db2.gz DNZVIEPNCNHKJA-RDJZCZTQSA-N 2 3 318.465 1.761 20 0 DDADHP COC(=O)CC1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246362092 892567619 /nfs/dbraw/zinc/56/76/19/892567619.db2.gz FGGWSYSXZACAGQ-GDBMZVCRSA-N 2 3 309.454 1.184 20 0 DDADHP COC(=O)CC1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246362093 892568751 /nfs/dbraw/zinc/56/87/51/892568751.db2.gz FGGWSYSXZACAGQ-GOEBONIOSA-N 2 3 309.454 1.184 20 0 DDADHP CC[C@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246430212 892619845 /nfs/dbraw/zinc/61/98/45/892619845.db2.gz XIQMBNLUAOLMHA-HOTGVXAUSA-N 2 3 302.466 1.823 20 0 DDADHP [NH3+]CC1(c2ccccc2)CC[NH+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246586479 892714453 /nfs/dbraw/zinc/71/44/53/892714453.db2.gz AVIJKIVPSQLJAK-QGZVFWFLSA-N 2 3 315.461 1.500 20 0 DDADHP CC[C@@H]1CC(N2CCOCC3(CC[NH2+]CC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246615229 892741185 /nfs/dbraw/zinc/74/11/85/892741185.db2.gz QWONGBDCPXAVGI-HZPDHXFCSA-N 2 3 309.498 1.998 20 0 DDADHP C(CN1CCCC1)[C@@H]1CCCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787556 892900468 /nfs/dbraw/zinc/90/04/68/892900468.db2.gz QIYJFTUPUZXBDG-IRXDYDNUSA-N 2 3 306.498 1.421 20 0 DDADHP C(CN1CCCC1)[C@@H]1CCCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787556 892900473 /nfs/dbraw/zinc/90/04/73/892900473.db2.gz QIYJFTUPUZXBDG-IRXDYDNUSA-N 2 3 306.498 1.421 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CC[NH2+]1 ZINC001246963389 893030313 /nfs/dbraw/zinc/03/03/13/893030313.db2.gz AMJYWTUKXSCJOA-PVAVHDDUSA-N 2 3 308.514 1.651 20 0 DDADHP C[C@H](CCN1CCC([NH+](C)C)CC1)N1CCC([NH+](C)C)CC1 ZINC000434685203 539523198 /nfs/dbraw/zinc/52/31/98/539523198.db2.gz OWEYVOBCFZHTIZ-MRXNPFEDSA-N 2 3 310.530 1.817 20 0 DDADHP COC[C@H](CCC[NH3+])[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422986130 227298805 /nfs/dbraw/zinc/29/88/05/227298805.db2.gz GJRHZFQGLSFDRE-INIZCTEOSA-N 2 3 306.454 1.642 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000420307805 420197364 /nfs/dbraw/zinc/19/73/64/420197364.db2.gz MONYOSBOSAXWDW-OKZBNKHCSA-N 2 3 308.514 1.462 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000420307805 420197368 /nfs/dbraw/zinc/19/73/68/420197368.db2.gz MONYOSBOSAXWDW-OKZBNKHCSA-N 2 3 308.514 1.462 20 0 DDADHP C[NH2+]CCOCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000629529944 422713519 /nfs/dbraw/zinc/71/35/19/422713519.db2.gz QYZYMHGWZTYUIU-WMZOPIPTSA-N 2 3 305.466 1.723 20 0 DDADHP C[NH2+]CCOCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629529944 422713521 /nfs/dbraw/zinc/71/35/21/422713521.db2.gz QYZYMHGWZTYUIU-WMZOPIPTSA-N 2 3 305.466 1.723 20 0 DDADHP C[NH2+]CCOCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629529944 422713527 /nfs/dbraw/zinc/71/35/27/422713527.db2.gz QYZYMHGWZTYUIU-WMZOPIPTSA-N 2 3 305.466 1.723 20 0 DDADHP C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000665233420 424762075 /nfs/dbraw/zinc/76/20/75/424762075.db2.gz HMENQIBCKVRLNO-MAUKXSAKSA-N 2 3 309.498 1.998 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@H]2CCN(CC)C[C@H]2C)CC1 ZINC000247049870 282031300 /nfs/dbraw/zinc/03/13/00/282031300.db2.gz NFFDYVNKXXKPQI-MSOLQXFVSA-N 2 3 310.530 1.724 20 0 DDADHP CN1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000925847033 714950035 /nfs/dbraw/zinc/95/00/35/714950035.db2.gz QJXOZYUTSMMTMR-SQNIBIBYSA-N 2 3 308.514 1.524 20 0 DDADHP CCC[NH+]1CCC(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001219954799 878617274 /nfs/dbraw/zinc/61/72/74/878617274.db2.gz SIWWPGLIOSTNRA-INIZCTEOSA-N 2 3 312.502 1.473 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220167233 878767641 /nfs/dbraw/zinc/76/76/41/878767641.db2.gz LXAMDGXYAYNXMW-SOLBZPMBSA-N 2 3 324.513 1.521 20 0 DDADHP C[C@H](CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)CC(C)(C)CC[NH3+] ZINC001220763458 879239614 /nfs/dbraw/zinc/23/96/14/879239614.db2.gz CPCACTUITAKHEQ-LSDHHAIUSA-N 2 3 324.513 1.378 20 0 DDADHP C[C@H](CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)CC(C)(C)CC[NH3+] ZINC001220763458 879239628 /nfs/dbraw/zinc/23/96/28/879239628.db2.gz CPCACTUITAKHEQ-LSDHHAIUSA-N 2 3 324.513 1.378 20 0 DDADHP CCCN(Cc1cccc(N2CC[NH2+]CC2)c1)C[C@H]1CC[NH2+]C1 ZINC001236836845 889376258 /nfs/dbraw/zinc/37/62/58/889376258.db2.gz YJVWUNRCAGDMOE-SFHVURJKSA-N 2 3 316.493 1.918 20 0 DDADHP O[C@@]1(C[NH2+][C@@H](c2ccccc2)C2CC[NH2+]CC2)CCCNC1 ZINC001245994425 892313151 /nfs/dbraw/zinc/31/31/51/892313151.db2.gz MWCDYOPWXPFDIF-ROUUACIJSA-N 2 3 303.450 1.431 20 0 DDADHP CC(C)(C)[NH+]1CCC(NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001246138001 892433896 /nfs/dbraw/zinc/43/38/96/892433896.db2.gz AAGSVNBYDIBSQO-MRXNPFEDSA-N 2 3 308.514 1.713 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246157047 892451257 /nfs/dbraw/zinc/45/12/57/892451257.db2.gz POIYPRXKWZPDCP-CBZIJGRNSA-N 2 3 309.498 1.901 20 0 DDADHP C[NH+](C)CC[C@H](N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246178300 892464625 /nfs/dbraw/zinc/46/46/25/892464625.db2.gz NRKSGGCZEYCDBY-IRXDYDNUSA-N 2 3 302.466 1.363 20 0 DDADHP c1cncc([C@H]2NCC[C@H]2C[NH2+]C2CCC3(C[NH2+]C3)CC2)c1 ZINC001246341085 892552959 /nfs/dbraw/zinc/55/29/59/892552959.db2.gz OLJCUGMFEUTNRN-DOTOQJQBSA-N 2 3 300.450 1.854 20 0 DDADHP c1ccc(C[C@@H]2C[C@H](NCCO[C@@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246367899 892576076 /nfs/dbraw/zinc/57/60/76/892576076.db2.gz NFICMDSGPGEUJT-KZNAEPCWSA-N 2 3 303.450 1.318 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]CCO[C@@H]3CC[NH2+]C3)CCN2)cc1 ZINC001246367899 892576080 /nfs/dbraw/zinc/57/60/80/892576080.db2.gz NFICMDSGPGEUJT-KZNAEPCWSA-N 2 3 303.450 1.318 20 0 DDADHP C1CC2(C[NH2+]1)CCC(N1CCOC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246646208 892766857 /nfs/dbraw/zinc/76/68/57/892766857.db2.gz LYSSNXSGUPOYEB-DAWZGUTISA-N 2 3 307.482 1.611 20 0 DDADHP C([C@H]1CCCNC1)[N@H+](C1CC1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246971335 893037629 /nfs/dbraw/zinc/03/76/29/893037629.db2.gz FUIXUGBUYXIQKW-ZLPCBKJTSA-N 2 3 307.482 1.752 20 0 DDADHP C([C@H]1CCCNC1)[N@@H+](C1CC1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246971335 893037650 /nfs/dbraw/zinc/03/76/50/893037650.db2.gz FUIXUGBUYXIQKW-ZLPCBKJTSA-N 2 3 307.482 1.752 20 0 DDADHP [NH3+]CCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255126529 896748673 /nfs/dbraw/zinc/74/86/73/896748673.db2.gz NNYIHDQUSVQPAJ-NNZMDNLPSA-N 2 3 303.450 1.747 20 0 DDADHP [NH3+]CCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255126529 896748680 /nfs/dbraw/zinc/74/86/80/896748680.db2.gz NNYIHDQUSVQPAJ-NNZMDNLPSA-N 2 3 303.450 1.747 20 0 DDADHP O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422991923 227300001 /nfs/dbraw/zinc/30/00/01/227300001.db2.gz QLQICCHGNMJCLS-IEWDOMPSSA-N 2 3 321.509 1.875 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCCC2)CC[NH2+]CC1 ZINC000422789229 528611030 /nfs/dbraw/zinc/61/10/30/528611030.db2.gz RSQBVSYJBOJVPP-HNNXBMFYSA-N 2 3 311.470 1.383 20 0 DDADHP CCOC(=O)C1([C@H](C)NCCC[NH+]2CCCC2)CC[NH2+]CC1 ZINC000422789229 528611038 /nfs/dbraw/zinc/61/10/38/528611038.db2.gz RSQBVSYJBOJVPP-HNNXBMFYSA-N 2 3 311.470 1.383 20 0 DDADHP CC(C)(C)[NH+]1CCC(NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873292577 707800743 /nfs/dbraw/zinc/80/07/43/707800743.db2.gz ULUWXPFYKGEXTP-INIZCTEOSA-N 2 3 309.498 1.998 20 0 DDADHP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000902361527 710729823 /nfs/dbraw/zinc/72/98/23/710729823.db2.gz KRCLNWXXBTWAHX-BBWFWOEESA-N 2 3 309.498 1.732 20 0 DDADHP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000902361531 710729959 /nfs/dbraw/zinc/72/99/59/710729959.db2.gz KRCLNWXXBTWAHX-ULQDDVLXSA-N 2 3 309.498 1.732 20 0 DDADHP CN1CCC(CN[C@H]2CC[NH2+]C23CCC3)([NH+]2CCCCC2)CC1 ZINC000925513811 714877922 /nfs/dbraw/zinc/87/79/22/714877922.db2.gz MCYLWJACQIUPFP-KRWDZBQOSA-N 2 3 320.525 1.811 20 0 DDADHP C[NH+](C)CCN1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925608158 714898974 /nfs/dbraw/zinc/89/89/74/714898974.db2.gz ZVGQRSYRGGKDNS-MOPGFXCFSA-N 2 3 322.541 1.770 20 0 DDADHP C[NH+](C)C1CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001168326650 742189892 /nfs/dbraw/zinc/18/98/92/742189892.db2.gz CXOLPPOOTTXYKY-UHFFFAOYSA-N 2 3 308.514 1.573 20 0 DDADHP C[C@@H](C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001161447895 866674326 /nfs/dbraw/zinc/67/43/26/866674326.db2.gz ZVBNZTXJEXZGJL-QBPKDAKJSA-N 2 3 324.513 1.153 20 0 DDADHP [NH3+]C1CCN(c2cccc(NC3CC4(C3)CCC[NH2+]C4)n2)CC1 ZINC001162982052 867971372 /nfs/dbraw/zinc/97/13/72/867971372.db2.gz KYKDXEOOZNDTPD-UHFFFAOYSA-N 2 3 315.465 1.953 20 0 DDADHP N[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)C1CC[NH2+]CC1 ZINC001220917410 879380514 /nfs/dbraw/zinc/38/05/14/879380514.db2.gz YXSIPESKPKHLTD-IRXDYDNUSA-N 2 3 322.497 1.084 20 0 DDADHP N[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)C1CC[NH2+]CC1 ZINC001220917410 879380533 /nfs/dbraw/zinc/38/05/33/879380533.db2.gz YXSIPESKPKHLTD-IRXDYDNUSA-N 2 3 322.497 1.084 20 0 DDADHP c1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001235934140 889022180 /nfs/dbraw/zinc/02/21/80/889022180.db2.gz BJDXSXOINHGDEF-DLBZAZTESA-N 2 3 300.450 1.138 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246002543 892319067 /nfs/dbraw/zinc/31/90/67/892319067.db2.gz UAMNBJXEXFUGRC-MLHJIOFPSA-N 2 3 303.450 1.311 20 0 DDADHP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2)C[C@]2(O)CC[NH2+]C2)CC1 ZINC001246066551 892397961 /nfs/dbraw/zinc/39/79/61/892397961.db2.gz KNTKUMSQYXTFNE-BZSNNMDCSA-N 2 3 303.450 1.483 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CCCC[NH2+]C3)C[C@H](C1)N2 ZINC001246111541 892421216 /nfs/dbraw/zinc/42/12/16/892421216.db2.gz PAIGBGAALAQKSO-NXSPZCGBSA-N 2 3 309.454 1.038 20 0 DDADHP c1ccc([C@@H]2C[C@H](N[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)CC[NH2+]2)cc1 ZINC001246252184 892502439 /nfs/dbraw/zinc/50/24/39/892502439.db2.gz ABZJLDNBDRBTPU-XWSJACJDSA-N 2 3 315.461 1.980 20 0 DDADHP CN(CCC[NH3+])CCC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246285690 892517306 /nfs/dbraw/zinc/51/73/06/892517306.db2.gz UISBRLLDGIQFFX-ROUUACIJSA-N 2 3 304.482 1.740 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCC[C@H](N3CC(C[NH3+])C3)C2)CC[NH2+]1 ZINC001246871891 892961343 /nfs/dbraw/zinc/96/13/43/892961343.db2.gz OKBNMEYRUAKEHC-ULQDDVLXSA-N 2 3 308.514 1.508 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000420307804 420196286 /nfs/dbraw/zinc/19/62/86/420196286.db2.gz MONYOSBOSAXWDW-KSZLIROESA-N 2 3 308.514 1.462 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000420307804 420196291 /nfs/dbraw/zinc/19/62/91/420196291.db2.gz MONYOSBOSAXWDW-KSZLIROESA-N 2 3 308.514 1.462 20 0 DDADHP COc1ccc([C@H](C[NH3+])CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420313967 295240919 /nfs/dbraw/zinc/24/09/19/295240919.db2.gz UVRBIFDFDCMIEV-CIRFHOKZSA-N 2 3 303.450 1.797 20 0 DDADHP C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC[NH2+]1 ZINC000873215609 707772187 /nfs/dbraw/zinc/77/21/87/707772187.db2.gz DWICIIKSFJKZBP-HIFRSBDPSA-N 2 3 314.437 1.204 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925530362 714881779 /nfs/dbraw/zinc/88/17/79/714881779.db2.gz KBASCVADKYSANT-RTBURBONSA-N 2 3 322.541 1.770 20 0 DDADHP C[NH+](C)CC[C@H](N[C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2)c1cccnc1 ZINC000925827086 714945152 /nfs/dbraw/zinc/94/51/52/714945152.db2.gz KWHYZVYJULQJQP-FLXSYLCISA-N 2 3 318.465 1.416 20 0 DDADHP COC1CCN(C2CC[NH+](CC3CC[NH+](C)CC3)CC2)CC1 ZINC001207402315 873240027 /nfs/dbraw/zinc/24/00/27/873240027.db2.gz YNGAMAKLNKWUPB-UHFFFAOYSA-N 2 3 309.498 1.903 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001220716245 879202397 /nfs/dbraw/zinc/20/23/97/879202397.db2.gz BULFXDPZOOZWOH-JONQDZQNSA-N 2 3 310.486 1.177 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001220716245 879202417 /nfs/dbraw/zinc/20/24/17/879202417.db2.gz BULFXDPZOOZWOH-JONQDZQNSA-N 2 3 310.486 1.177 20 0 DDADHP C([NH2+]C1CCC2(CC[NH2+]C2)CC1)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246154136 892448090 /nfs/dbraw/zinc/44/80/90/892448090.db2.gz UBCRWDOAMUTCHY-FPQWYMTMSA-N 2 3 307.482 1.657 20 0 DDADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246340664 892549712 /nfs/dbraw/zinc/54/97/12/892549712.db2.gz MHZXMZSXXLTQQU-ILXRZTDVSA-N 2 3 304.463 1.169 20 0 DDADHP c1cncc([C@@H]2[NH2+]CC[C@@H]2CN[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246340664 892549721 /nfs/dbraw/zinc/54/97/21/892549721.db2.gz MHZXMZSXXLTQQU-ILXRZTDVSA-N 2 3 304.463 1.169 20 0 DDADHP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CCCNCCC[NH3+])CCN1 ZINC001246454933 892635672 /nfs/dbraw/zinc/63/56/72/892635672.db2.gz VGUSUCOMZZBDPW-WMZOPIPTSA-N 2 3 322.472 1.845 20 0 DDADHP CC(C)CN1CCC([NH2+]C[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])CC1 ZINC001258006852 898010418 /nfs/dbraw/zinc/01/04/18/898010418.db2.gz MKIBFQRDPWUAGQ-ZACQAIPSSA-N 2 3 313.486 1.421 20 0 DDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000358518946 299182345 /nfs/dbraw/zinc/18/23/45/299182345.db2.gz RYGNWOSEXAHXAS-UHFFFAOYSA-N 2 3 322.497 1.051 20 0 DDADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000423032832 227320351 /nfs/dbraw/zinc/32/03/51/227320351.db2.gz NEPWEBNEIWIILT-YJBOKZPZSA-N 2 3 305.466 1.860 20 0 DDADHP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420320426 420205478 /nfs/dbraw/zinc/20/54/78/420205478.db2.gz QFFMGQMADPRUCI-GUDVDZBRSA-N 2 3 322.541 1.867 20 0 DDADHP [NH3+]CCCOCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629534773 422714904 /nfs/dbraw/zinc/71/49/04/422714904.db2.gz AYZIPHCNZKMVFW-RDJZCZTQSA-N 2 3 305.422 1.197 20 0 DDADHP [NH3+]C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC12CCOCC2 ZINC000570456160 308170651 /nfs/dbraw/zinc/17/06/51/308170651.db2.gz MILHKJDNHRQYOV-SFHVURJKSA-N 2 3 315.461 1.520 20 0 DDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917892 711331612 /nfs/dbraw/zinc/33/16/12/711331612.db2.gz OILAQJAAKNWZQA-IKGGRYGDSA-N 2 3 319.497 1.167 20 0 DDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917892 711331616 /nfs/dbraw/zinc/33/16/16/711331616.db2.gz OILAQJAAKNWZQA-IKGGRYGDSA-N 2 3 319.497 1.167 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917892 711331618 /nfs/dbraw/zinc/33/16/18/711331618.db2.gz OILAQJAAKNWZQA-IKGGRYGDSA-N 2 3 319.497 1.167 20 0 DDADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000925608637 714898899 /nfs/dbraw/zinc/89/88/99/714898899.db2.gz GMAAQJLGVQFKQU-QAETUUGQSA-N 2 3 309.498 1.590 20 0 DDADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925608637 714898901 /nfs/dbraw/zinc/89/89/01/714898901.db2.gz GMAAQJLGVQFKQU-QAETUUGQSA-N 2 3 309.498 1.590 20 0 DDADHP CN(C)CCN(C(=O)C[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161444128 736807142 /nfs/dbraw/zinc/80/71/42/736807142.db2.gz CDXBPBYKSQZEQH-JYJNAYRXSA-N 2 3 310.486 1.036 20 0 DDADHP CCC[NH+]1C[C@H]2C[NH+](C3CCN(CCCOC)CC3)C[C@@H]2C1 ZINC001172254025 776740285 /nfs/dbraw/zinc/74/02/85/776740285.db2.gz HBVAKJSLAUTUBN-IRXDYDNUSA-N 2 3 309.498 1.761 20 0 DDADHP CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC001413273951 856599750 /nfs/dbraw/zinc/59/97/50/856599750.db2.gz IAEZIFULXDUZIY-WBAXXEDZSA-N 2 3 300.450 1.980 20 0 DDADHP Cc1c[nH+]c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)cc1N ZINC001158589583 864748353 /nfs/dbraw/zinc/74/83/53/864748353.db2.gz UQVXNHBSEKNOQM-UHFFFAOYSA-N 2 3 303.454 1.625 20 0 DDADHP C[C@H]1CC[C@H](C[NH3+])CN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001206767615 872564076 /nfs/dbraw/zinc/56/40/76/872564076.db2.gz CNMNEDTUKOZFKY-QFBILLFUSA-N 2 3 316.493 1.651 20 0 DDADHP [NH3+]CCNC(=O)c1cccc(CN2CCC3(CC([NH3+])C3)CC2)c1 ZINC001222215978 880334443 /nfs/dbraw/zinc/33/44/43/880334443.db2.gz QTWZEWNXELTCNP-UHFFFAOYSA-N 2 3 316.449 1.078 20 0 DDADHP CCOC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2)C1CC[NH2+]CC1 ZINC001246226459 892488135 /nfs/dbraw/zinc/48/81/35/892488135.db2.gz HRQHZWQZTHSMRD-LTIDMASMSA-N 2 3 323.481 1.571 20 0 DDADHP FC1(F)CC[NH2+]C[C@]12CCN([C@H]1CSC3(C[NH2+]C3)C1)C2 ZINC001246640280 892760879 /nfs/dbraw/zinc/76/08/79/892760879.db2.gz RNXANZZMGVBMDG-NEPJUHHUSA-N 2 3 303.422 1.155 20 0 DDADHP C1CC2(C1)C[C@@H](N1CCC(OC3CC[NH2+]CC3)CC1)CC[NH2+]2 ZINC001246658016 892771834 /nfs/dbraw/zinc/77/18/34/892771834.db2.gz BRTHJOBTTHLPPA-HNNXBMFYSA-N 2 3 307.482 1.894 20 0 DDADHP C1CC2(C1)C[C@@H]([NH+]1CCC(OC3CC[NH2+]CC3)CC1)CCN2 ZINC001246658016 892771840 /nfs/dbraw/zinc/77/18/40/892771840.db2.gz BRTHJOBTTHLPPA-HNNXBMFYSA-N 2 3 307.482 1.894 20 0 DDADHP CCCC[C@@H]1C[C@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246973649 893041986 /nfs/dbraw/zinc/04/19/86/893041986.db2.gz HLWJRWXLCGCPLB-KZNAEPCWSA-N 2 3 308.514 1.795 20 0 DDADHP [NH3+]CCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255108922 896740226 /nfs/dbraw/zinc/74/02/26/896740226.db2.gz IWIBQWMQSCPQPI-LJQANCHMSA-N 2 3 316.493 1.617 20 0 DDADHP [NH3+]CCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255108922 896740232 /nfs/dbraw/zinc/74/02/32/896740232.db2.gz IWIBQWMQSCPQPI-LJQANCHMSA-N 2 3 316.493 1.617 20 0 DDADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCN1CCN(C)C(C)(C)C1 ZINC000423110249 296000383 /nfs/dbraw/zinc/00/03/83/296000383.db2.gz VIYKJEROMGUYLH-IRXDYDNUSA-N 2 3 310.530 1.913 20 0 DDADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000423110249 296000384 /nfs/dbraw/zinc/00/03/84/296000384.db2.gz VIYKJEROMGUYLH-IRXDYDNUSA-N 2 3 310.530 1.913 20 0 DDADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000423110249 296000385 /nfs/dbraw/zinc/00/03/85/296000385.db2.gz VIYKJEROMGUYLH-IRXDYDNUSA-N 2 3 310.530 1.913 20 0 DDADHP CC[N@@H+]1CC[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H](C)C1 ZINC000635008790 422763853 /nfs/dbraw/zinc/76/38/53/422763853.db2.gz KPZZDPAJZQKDNE-GOEBONIOSA-N 2 3 303.454 1.633 20 0 DDADHP CC[N@H+]1CC[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H](C)C1 ZINC000635008790 422763859 /nfs/dbraw/zinc/76/38/59/422763859.db2.gz KPZZDPAJZQKDNE-GOEBONIOSA-N 2 3 303.454 1.633 20 0 DDADHP c1cc(N2CC[NH2+]CC2)cc(NC2CCN(C3CC3)CC2)[nH+]1 ZINC000635011708 422766381 /nfs/dbraw/zinc/76/63/81/422766381.db2.gz OXWYVAPYEDNTFJ-UHFFFAOYSA-N 2 3 301.438 1.530 20 0 DDADHP CCN1CCN(c2ccccc2C[NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414837559 419833291 /nfs/dbraw/zinc/83/32/91/419833291.db2.gz UMMMVHCJXDUZIK-QGZVFWFLSA-N 2 3 316.493 1.918 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)CC[NH2+]CC1 ZINC000423269315 419999021 /nfs/dbraw/zinc/99/90/21/419999021.db2.gz FJZIFHNNEQWKNG-KKUMJFAQSA-N 2 3 311.470 1.415 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000420307803 420196911 /nfs/dbraw/zinc/19/69/11/420196911.db2.gz MONYOSBOSAXWDW-BZSNNMDCSA-N 2 3 308.514 1.462 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000420307803 420196913 /nfs/dbraw/zinc/19/69/13/420196913.db2.gz MONYOSBOSAXWDW-BZSNNMDCSA-N 2 3 308.514 1.462 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337570 420218381 /nfs/dbraw/zinc/21/83/81/420218381.db2.gz NXCAMPFZUKWXIJ-OTWHNJEPSA-N 2 3 317.477 1.381 20 0 DDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337570 420218384 /nfs/dbraw/zinc/21/83/84/420218384.db2.gz NXCAMPFZUKWXIJ-OTWHNJEPSA-N 2 3 317.477 1.381 20 0 DDADHP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)C1 ZINC000902361533 710729758 /nfs/dbraw/zinc/72/97/58/710729758.db2.gz KRCLNWXXBTWAHX-YESZJQIVSA-N 2 3 309.498 1.732 20 0 DDADHP Cc1c(C[C@@H](C[NH3+])CNCc2ccc(CC[NH3+])cc2)cnn1C ZINC000903917764 711331231 /nfs/dbraw/zinc/33/12/31/711331231.db2.gz NGXKNCDXIGCVAS-KRWDZBQOSA-N 2 3 315.465 1.137 20 0 DDADHP [NH3+]C[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C(F)(F)F ZINC000923428595 714352665 /nfs/dbraw/zinc/35/26/65/714352665.db2.gz YEDSSNLCUSBZSN-HVUVFQHFSA-N 2 3 305.388 1.976 20 0 DDADHP CN(C)c1cc[nH+]c(N2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001157837976 864183339 /nfs/dbraw/zinc/18/33/39/864183339.db2.gz MAJZZLFRLRINQM-UHFFFAOYSA-N 2 3 317.481 1.611 20 0 DDADHP N[C@@H](C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001158031984 864372419 /nfs/dbraw/zinc/37/24/19/864372419.db2.gz PLRFBIBDJMLATP-AEFFLSMTSA-N 2 3 322.497 1.086 20 0 DDADHP C[NH+](C)CCN(C(=O)c1ccc2c(c1)CNC2)[C@H]1CCC[NH2+]C1 ZINC001161450715 866674252 /nfs/dbraw/zinc/67/42/52/866674252.db2.gz IWAQODOMRQYSAK-KRWDZBQOSA-N 2 3 316.449 1.046 20 0 DDADHP C[C@]1([NH3+])CCCN(Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001205273111 871478306 /nfs/dbraw/zinc/47/83/06/871478306.db2.gz FEEUOYBRPHWWFJ-SFHVURJKSA-N 2 3 302.466 1.800 20 0 DDADHP CC[NH+](CC)CCN1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208104351 873839794 /nfs/dbraw/zinc/83/97/94/873839794.db2.gz MNPMJDDIEPRRMR-UHFFFAOYSA-N 2 3 310.530 1.678 20 0 DDADHP [NH3+]C[C@@H]1CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001235674566 888873821 /nfs/dbraw/zinc/87/38/21/888873821.db2.gz UJBASUXNNAIEDN-SFHVURJKSA-N 2 3 302.466 1.263 20 0 DDADHP CCOC(=O)C[C@H]([NH2+][C@H]1CCNC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246225096 892487881 /nfs/dbraw/zinc/48/78/81/892487881.db2.gz COWXDDWOYPJJQX-GJZGRUSLSA-N 2 3 311.470 1.428 20 0 DDADHP C[C@H]1C[C@H]([NH2+]CCCNCCC[NH3+])CCN1Cc1ccccc1 ZINC001246455959 892637890 /nfs/dbraw/zinc/63/78/90/892637890.db2.gz YTWLPGOMBLCOLJ-PKOBYXMFSA-N 2 3 318.509 1.958 20 0 DDADHP CN(C)CC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000192828260 163240053 /nfs/dbraw/zinc/24/00/53/163240053.db2.gz AUVOLNCPPUXDLR-AYHJJNSGSA-N 2 3 308.514 1.475 20 0 DDADHP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000353431415 410979905 /nfs/dbraw/zinc/97/99/05/410979905.db2.gz YWXADRXYZGYNRX-IRXDYDNUSA-N 2 3 322.497 1.049 20 0 DDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422744210 227150811 /nfs/dbraw/zinc/15/08/11/227150811.db2.gz SPCAQGUFCOBMAG-GJZGRUSLSA-N 2 3 305.466 1.859 20 0 DDADHP NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000873231895 707778625 /nfs/dbraw/zinc/77/86/25/707778625.db2.gz SLDFLBZHNCLUMQ-HOTGVXAUSA-N 2 3 322.497 1.086 20 0 DDADHP CC(C)(C[NH3+])C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000903790661 711282301 /nfs/dbraw/zinc/28/23/01/711282301.db2.gz ULIICCAWNZTGAK-ROUUACIJSA-N 2 3 319.493 1.614 20 0 DDADHP C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925118568 714752304 /nfs/dbraw/zinc/75/23/04/714752304.db2.gz TWPMQZSNXLZCOO-HNNXBMFYSA-N 2 3 305.466 1.856 20 0 DDADHP CC1(C)[C@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925728714 714922930 /nfs/dbraw/zinc/92/29/30/714922930.db2.gz GTBBYNPHEJGJSN-XUWVNRHRSA-N 2 3 307.482 1.511 20 0 DDADHP C[N@@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H]2CCC[C@@H]21 ZINC000925848621 714950567 /nfs/dbraw/zinc/95/05/67/714950567.db2.gz BQSNSVLEBLGYPW-VGWMRTNUSA-N 2 3 321.465 1.134 20 0 DDADHP C[N@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H]2CCC[C@@H]21 ZINC000925848621 714950568 /nfs/dbraw/zinc/95/05/68/714950568.db2.gz BQSNSVLEBLGYPW-VGWMRTNUSA-N 2 3 321.465 1.134 20 0 DDADHP CC(C)(C)N1CCC([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925856512 714952377 /nfs/dbraw/zinc/95/23/77/714952377.db2.gz RSCBXDJXXJEBRR-OAHLLOKOSA-N 2 3 323.481 1.524 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968362 865006938 /nfs/dbraw/zinc/00/69/38/865006938.db2.gz PJIHGWHILNJANB-INIZCTEOSA-N 2 3 322.497 1.310 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968362 865006947 /nfs/dbraw/zinc/00/69/47/865006947.db2.gz PJIHGWHILNJANB-INIZCTEOSA-N 2 3 322.497 1.310 20 0 DDADHP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235808407 888962401 /nfs/dbraw/zinc/96/24/01/888962401.db2.gz CUWJFYDNRVVPRB-REPLKXPHSA-N 2 3 314.477 1.546 20 0 DDADHP COc1ccc(C[N@H+](CCC2C[NH2+]C2)C2CCNCC2)cc1 ZINC001236438980 889232436 /nfs/dbraw/zinc/23/24/36/889232436.db2.gz CJDRBCPZLYDNKJ-UHFFFAOYSA-N 2 3 303.450 1.859 20 0 DDADHP COc1ccc(C[N@@H+](CCC2C[NH2+]C2)C2CCNCC2)cc1 ZINC001236438980 889232452 /nfs/dbraw/zinc/23/24/52/889232452.db2.gz CJDRBCPZLYDNKJ-UHFFFAOYSA-N 2 3 303.450 1.859 20 0 DDADHP COc1ccc(CN(CCC2C[NH2+]C2)C2CC[NH2+]CC2)cc1 ZINC001236438980 889232464 /nfs/dbraw/zinc/23/24/64/889232464.db2.gz CJDRBCPZLYDNKJ-UHFFFAOYSA-N 2 3 303.450 1.859 20 0 DDADHP c1ccc([C@@H]2C[C@H]([NH2+]CCCC[NH+]3CCNCC3)CCN2)cc1 ZINC001246089299 892410781 /nfs/dbraw/zinc/41/07/81/892410781.db2.gz OWOMOKJQZCLJIX-MOPGFXCFSA-N 2 3 316.493 1.755 20 0 DDADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138849 892435769 /nfs/dbraw/zinc/43/57/69/892435769.db2.gz CFCZXBLHJUQQSL-IRXDYDNUSA-N 2 3 320.525 1.905 20 0 DDADHP CC[C@@H]1CC(NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H](CC)[NH2+]1 ZINC001246139529 892436687 /nfs/dbraw/zinc/43/66/87/892436687.db2.gz DGWAHCSCBGPPDQ-BZUAXINKSA-N 2 3 308.514 1.759 20 0 DDADHP O[C@H](C[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246224688 892488202 /nfs/dbraw/zinc/48/82/02/892488202.db2.gz ADRMVVGJOQROAC-IPMKNSEASA-N 2 3 317.477 1.300 20 0 DDADHP COC(=O)CC1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246362095 892569295 /nfs/dbraw/zinc/56/92/95/892569295.db2.gz FGGWSYSXZACAGQ-ZBFHGGJFSA-N 2 3 309.454 1.184 20 0 DDADHP [NH3+]CCCC[NH2+]CCCN[C@H]1CCN(Cc2ccccc2)C1 ZINC001246458043 892638320 /nfs/dbraw/zinc/63/83/20/892638320.db2.gz RBZLYCSVSOWHDD-SFHVURJKSA-N 2 3 304.482 1.569 20 0 DDADHP CCCC[C@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246610480 892733424 /nfs/dbraw/zinc/73/34/24/892733424.db2.gz AIYMPHKMNOBEEO-IRXDYDNUSA-N 2 3 309.498 1.999 20 0 DDADHP COCC[N@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@H]1CCCNC1 ZINC001246927042 892992443 /nfs/dbraw/zinc/99/24/43/892992443.db2.gz FLSYOUWCINPQON-KRWDZBQOSA-N 2 3 309.498 1.999 20 0 DDADHP COCC[N@@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@H]1CCCNC1 ZINC001246927042 892992450 /nfs/dbraw/zinc/99/24/50/892992450.db2.gz FLSYOUWCINPQON-KRWDZBQOSA-N 2 3 309.498 1.999 20 0 DDADHP C[NH+](C)Cc1ccccc1CNC(=O)CC1CSCC[NH2+]1 ZINC000091138374 193002823 /nfs/dbraw/zinc/00/28/23/193002823.db2.gz CYZHQTLEBQVHED-HNNXBMFYSA-N 2 3 307.463 1.460 20 0 DDADHP C[C@H]1CCNC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422851961 533677980 /nfs/dbraw/zinc/67/79/80/533677980.db2.gz XNZMMBGUBOKTII-FUHWJXTLSA-N 2 3 317.481 1.181 20 0 DDADHP [NH3+]C1(CNC[C@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000415135094 419960316 /nfs/dbraw/zinc/96/03/16/419960316.db2.gz PQMVFBNGDUGECL-SFHVURJKSA-N 2 3 316.493 1.569 20 0 DDADHP CC[NH+](CC)CCCC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000420358553 420232861 /nfs/dbraw/zinc/23/28/61/420232861.db2.gz JNUPKNGJVAOEGE-UHFFFAOYSA-N 2 3 310.530 1.726 20 0 DDADHP [NH3+]CCCOCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629534757 422714513 /nfs/dbraw/zinc/71/45/13/422714513.db2.gz AYZIPHCNZKMVFW-DOTOQJQBSA-N 2 3 305.422 1.197 20 0 DDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000849033109 703613160 /nfs/dbraw/zinc/61/31/60/703613160.db2.gz CEQUTDDMHCJMQY-INIZCTEOSA-N 2 3 309.502 1.851 20 0 DDADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c2)nn1 ZINC000873215777 707772143 /nfs/dbraw/zinc/77/21/43/707772143.db2.gz FKIZFADSQXOBCD-ZIAGYGMSSA-N 2 3 300.410 1.086 20 0 DDADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292378 707800459 /nfs/dbraw/zinc/80/04/59/707800459.db2.gz ASRYOVJHOYNAIM-BBRMVZONSA-N 2 3 318.465 1.658 20 0 DDADHP FC1(F)C[C@@H]1OCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506218 711157005 /nfs/dbraw/zinc/15/70/05/711157005.db2.gz PGVCKVVDYPJBFA-ZNMIVQPWSA-N 2 3 315.408 1.311 20 0 DDADHP CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923483532 714370965 /nfs/dbraw/zinc/37/09/65/714370965.db2.gz BOIJSSRPDAYWLF-WBVHZDCISA-N 2 3 318.465 1.076 20 0 DDADHP CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923483532 714370968 /nfs/dbraw/zinc/37/09/68/714370968.db2.gz BOIJSSRPDAYWLF-WBVHZDCISA-N 2 3 318.465 1.076 20 0 DDADHP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001219999095 878641866 /nfs/dbraw/zinc/64/18/66/878641866.db2.gz KBAWXNBILXLPCX-JKSUJKDBSA-N 2 3 304.438 1.006 20 0 DDADHP CCCC[C@@H]1C[C@@H](NCC2(C(=O)OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001246099917 892415325 /nfs/dbraw/zinc/41/53/25/892415325.db2.gz ZCERCCZUVHJHRA-CABCVRRESA-N 2 3 311.470 1.430 20 0 DDADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246138847 892435601 /nfs/dbraw/zinc/43/56/01/892435601.db2.gz CFCZXBLHJUQQSL-DLBZAZTESA-N 2 3 320.525 1.905 20 0 DDADHP CC(C)[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246180803 892466298 /nfs/dbraw/zinc/46/62/98/892466298.db2.gz PSJCYCVSPMRXEP-IKGGRYGDSA-N 2 3 309.498 1.901 20 0 DDADHP c1ccc([C@@H]2C[C@H](N[C@H]3COC4(C3)CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246186674 892470403 /nfs/dbraw/zinc/47/04/03/892470403.db2.gz YUDYRBBTNZLVRR-KURKYZTESA-N 2 3 315.461 1.980 20 0 DDADHP CCOC(=O)C[C@H](N[C@@H]1CC[NH2+][C@H](CC)C1)C1CC[NH2+]CC1 ZINC001246224874 892487260 /nfs/dbraw/zinc/48/72/60/892487260.db2.gz CCWLRSCPVSPPOL-OAGGEKHMSA-N 2 3 311.470 1.428 20 0 DDADHP Fc1ccc(C2([NH2+][C@@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246334766 892547422 /nfs/dbraw/zinc/54/74/22/892547422.db2.gz DLRRVGYSPINFSB-MRXNPFEDSA-N 2 3 319.424 1.515 20 0 DDADHP C1=CC[C@@H](CN2CCC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246511147 892668531 /nfs/dbraw/zinc/66/85/31/892668531.db2.gz PYQPBJBJGADETN-SJLPKXTDSA-N 2 3 318.509 1.491 20 0 DDADHP C1CC2(C[C@@H]1N1CCOC[C@@]3(CCC[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246648376 892766815 /nfs/dbraw/zinc/76/68/15/892766815.db2.gz XXFCNMFTDFKBRP-SJLPKXTDSA-N 2 3 307.482 1.611 20 0 DDADHP C1CC2(C[C@@H]1[N@@H+]1CCOC[C@@]3(CCCNC3)C1)CC[NH2+]CC2 ZINC001246648376 892766822 /nfs/dbraw/zinc/76/68/22/892766822.db2.gz XXFCNMFTDFKBRP-SJLPKXTDSA-N 2 3 307.482 1.611 20 0 DDADHP C1CC2(C[C@@H]1[N@H+]1CCOC[C@@]3(CCCNC3)C1)CC[NH2+]CC2 ZINC001246648376 892766829 /nfs/dbraw/zinc/76/68/29/892766829.db2.gz XXFCNMFTDFKBRP-SJLPKXTDSA-N 2 3 307.482 1.611 20 0 DDADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422893589 227245209 /nfs/dbraw/zinc/24/52/09/227245209.db2.gz AIKPBVNVWCUXRD-BMGDILEWSA-N 2 3 321.465 1.469 20 0 DDADHP C[N@H+](Cc1ccccc1)CC(C)(C)CNCCN1CC[NH2+]CC1 ZINC000414864820 419848031 /nfs/dbraw/zinc/84/80/31/419848031.db2.gz KEULDBVCKCEHOO-UHFFFAOYSA-N 2 3 318.509 1.639 20 0 DDADHP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCN1CC[NH2+]CC1 ZINC000414864820 419848037 /nfs/dbraw/zinc/84/80/37/419848037.db2.gz KEULDBVCKCEHOO-UHFFFAOYSA-N 2 3 318.509 1.639 20 0 DDADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000423110247 419982957 /nfs/dbraw/zinc/98/29/57/419982957.db2.gz VIYKJEROMGUYLH-IAGOWNOFSA-N 2 3 310.530 1.913 20 0 DDADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000423110247 419982962 /nfs/dbraw/zinc/98/29/62/419982962.db2.gz VIYKJEROMGUYLH-IAGOWNOFSA-N 2 3 310.530 1.913 20 0 DDADHP C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000665233421 424762017 /nfs/dbraw/zinc/76/20/17/424762017.db2.gz HMENQIBCKVRLNO-QAPCUYQASA-N 2 3 309.498 1.998 20 0 DDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000665240046 424764241 /nfs/dbraw/zinc/76/42/41/424764241.db2.gz BOFKJFDPCZEOTH-FGTMMUONSA-N 2 3 303.450 1.613 20 0 DDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000665240046 424764244 /nfs/dbraw/zinc/76/42/44/424764244.db2.gz BOFKJFDPCZEOTH-FGTMMUONSA-N 2 3 303.450 1.613 20 0 DDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917893 711331490 /nfs/dbraw/zinc/33/14/90/711331490.db2.gz OILAQJAAKNWZQA-IXDOHACOSA-N 2 3 319.497 1.167 20 0 DDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917893 711331493 /nfs/dbraw/zinc/33/14/93/711331493.db2.gz OILAQJAAKNWZQA-IXDOHACOSA-N 2 3 319.497 1.167 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cnn1C ZINC000903917893 711331495 /nfs/dbraw/zinc/33/14/95/711331495.db2.gz OILAQJAAKNWZQA-IXDOHACOSA-N 2 3 319.497 1.167 20 0 DDADHP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925497815 714873617 /nfs/dbraw/zinc/87/36/17/714873617.db2.gz YXDZJBIBBTVJMQ-FGTMMUONSA-N 2 3 322.541 1.626 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220916836 879378727 /nfs/dbraw/zinc/37/87/27/879378727.db2.gz CHDISDXINXUGCU-HOTGVXAUSA-N 2 3 310.486 1.214 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220916836 879378746 /nfs/dbraw/zinc/37/87/46/879378746.db2.gz CHDISDXINXUGCU-HOTGVXAUSA-N 2 3 310.486 1.214 20 0 DDADHP C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CCCC[C@H]1N ZINC001236220169 889146849 /nfs/dbraw/zinc/14/68/49/889146849.db2.gz YMRNJQKDEFYYMF-MSOLQXFVSA-N 2 3 302.466 1.798 20 0 DDADHP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CCCC[C@H]1N ZINC001236220169 889146855 /nfs/dbraw/zinc/14/68/55/889146855.db2.gz YMRNJQKDEFYYMF-MSOLQXFVSA-N 2 3 302.466 1.798 20 0 DDADHP CN1CCC([N@H+](CC2(C)CC[NH2+]CC2)C2CCNCC2)CC1 ZINC001237037193 889475659 /nfs/dbraw/zinc/47/56/59/889475659.db2.gz HBEGQYTZMLBPEZ-UHFFFAOYSA-N 2 3 308.514 1.524 20 0 DDADHP CN1CCC([N@@H+](CC2(C)CC[NH2+]CC2)C2CCNCC2)CC1 ZINC001237037193 889475667 /nfs/dbraw/zinc/47/56/67/889475667.db2.gz HBEGQYTZMLBPEZ-UHFFFAOYSA-N 2 3 308.514 1.524 20 0 DDADHP c1ccc([C@@H]2C[C@H](NC[C@@H]3CC4(CC[NH2+]CC4)O3)CC[NH2+]2)cc1 ZINC001246135556 892430584 /nfs/dbraw/zinc/43/05/84/892430584.db2.gz ZLBLXVFTZMBQHK-SQNIBIBYSA-N 2 3 315.461 1.980 20 0 DDADHP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1)C2 ZINC001246520787 892673593 /nfs/dbraw/zinc/67/35/93/892673593.db2.gz UDAAJLFTCPQIBZ-NXOAAHMSSA-N 2 3 322.497 1.321 20 0 DDADHP C1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@H]2CCNCC[C@@H]2N1 ZINC001246619414 892743395 /nfs/dbraw/zinc/74/33/95/892743395.db2.gz RAJARTRYKGKJPI-IRXDYDNUSA-N 2 3 306.498 1.325 20 0 DDADHP C1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@H]2CCNCC[C@@H]2N1 ZINC001246619414 892743401 /nfs/dbraw/zinc/74/34/01/892743401.db2.gz RAJARTRYKGKJPI-IRXDYDNUSA-N 2 3 306.498 1.325 20 0 DDADHP CC[C@@H]1C[C@@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246973022 893035223 /nfs/dbraw/zinc/03/52/23/893035223.db2.gz DXTWDWDGBFSGIM-XMTFNYHQSA-N 2 3 308.514 1.793 20 0 DDADHP [NH3+]C1CCN([C@@H]2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)CC1 ZINC001246974192 893040489 /nfs/dbraw/zinc/04/04/89/893040489.db2.gz JFZIFAFSTHVIMZ-ZWKOTPCHSA-N 2 3 320.525 1.939 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000635012879 422765922 /nfs/dbraw/zinc/76/59/22/422765922.db2.gz WMVRNNHZIHLMHM-RRFJBIMHSA-N 2 3 301.438 1.291 20 0 DDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000361804889 418713015 /nfs/dbraw/zinc/71/30/15/418713015.db2.gz VZMGHZCEJQPVFJ-WTXIUTQJSA-N 2 3 307.486 1.457 20 0 DDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000361804889 418713018 /nfs/dbraw/zinc/71/30/18/418713018.db2.gz VZMGHZCEJQPVFJ-WTXIUTQJSA-N 2 3 307.486 1.457 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423035212 227322748 /nfs/dbraw/zinc/32/27/48/227322748.db2.gz RCUSQIOPAMKCIY-ZYSHUDEJSA-N 2 3 317.477 1.860 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423035212 227322752 /nfs/dbraw/zinc/32/27/52/227322752.db2.gz RCUSQIOPAMKCIY-ZYSHUDEJSA-N 2 3 317.477 1.860 20 0 DDADHP O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422991922 419978622 /nfs/dbraw/zinc/97/86/22/419978622.db2.gz QLQICCHGNMJCLS-BRIYLRKRSA-N 2 3 321.509 1.875 20 0 DDADHP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414692058 287684703 /nfs/dbraw/zinc/68/47/03/287684703.db2.gz KNAXJQOYXSOARN-NCXUSEDFSA-N 2 3 322.541 1.865 20 0 DDADHP CC[NH2+]CC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000579714635 308552765 /nfs/dbraw/zinc/55/27/65/308552765.db2.gz IVBPCVZNOGMOEL-UHFFFAOYSA-N 2 3 310.530 1.724 20 0 DDADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422719198 533870342 /nfs/dbraw/zinc/87/03/42/533870342.db2.gz XVXGSQYMEGQWRZ-MRXNPFEDSA-N 2 3 304.482 1.651 20 0 DDADHP C[NH2+]CCC1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903874269 711311924 /nfs/dbraw/zinc/31/19/24/711311924.db2.gz WUAKICCAFANAFQ-MRXNPFEDSA-N 2 3 307.486 1.167 20 0 DDADHP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000903948963 711345290 /nfs/dbraw/zinc/34/52/90/711345290.db2.gz WQJDOCVYKFTRCI-KRWDZBQOSA-N 2 3 324.513 1.382 20 0 DDADHP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000903948963 711345293 /nfs/dbraw/zinc/34/52/93/711345293.db2.gz WQJDOCVYKFTRCI-KRWDZBQOSA-N 2 3 324.513 1.382 20 0 DDADHP C[N@@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H]2CCC[C@H]21 ZINC000925848623 714950495 /nfs/dbraw/zinc/95/04/95/714950495.db2.gz BQSNSVLEBLGYPW-YHUYYLMFSA-N 2 3 321.465 1.134 20 0 DDADHP C[N@H+]1CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[C@@H]2CCC[C@H]21 ZINC000925848623 714950497 /nfs/dbraw/zinc/95/04/97/714950497.db2.gz BQSNSVLEBLGYPW-YHUYYLMFSA-N 2 3 321.465 1.134 20 0 DDADHP CCN1CCCC[C@@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161445373 736896934 /nfs/dbraw/zinc/89/69/34/736896934.db2.gz OUOKYERALDKATE-JKSUJKDBSA-N 2 3 310.486 1.003 20 0 DDADHP CC(C)N(C)CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001142586982 742413899 /nfs/dbraw/zinc/41/38/99/742413899.db2.gz XQEIILOPODGHSP-UHFFFAOYSA-N 2 3 300.491 1.059 20 0 DDADHP N[C@H](CCC[NH3+])Nc1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001170899264 771897988 /nfs/dbraw/zinc/89/79/88/771897988.db2.gz IWWFLRFZHFTJIK-PBHICJAKSA-N 2 3 316.453 1.787 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219780125 878505323 /nfs/dbraw/zinc/50/53/23/878505323.db2.gz SVVVATATNRGQQU-HNNXBMFYSA-N 2 3 310.486 1.130 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@@H]1CNCCC2 ZINC001222125951 880273097 /nfs/dbraw/zinc/27/30/97/880273097.db2.gz YUULSFMRKJZNPO-RYRKJORJSA-N 2 3 323.481 1.241 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@@H]1CNCCC2 ZINC001222125951 880273110 /nfs/dbraw/zinc/27/31/10/880273110.db2.gz YUULSFMRKJZNPO-RYRKJORJSA-N 2 3 323.481 1.241 20 0 DDADHP CC[NH+]1CCC(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC001364641665 889103183 /nfs/dbraw/zinc/10/31/83/889103183.db2.gz YCQAMKQFUYZCKE-KZNAEPCWSA-N 2 3 309.498 1.902 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CC[C@@H](C)[NH2+]C3)C[C@H](C1)N2 ZINC001246101006 892414678 /nfs/dbraw/zinc/41/46/78/892414678.db2.gz UVCQIAKSWAJWPJ-ARDFGAEDSA-N 2 3 309.454 1.036 20 0 DDADHP c1ccc(C[C@H]2C[C@H]([NH2+]C[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)CCN2)cc1 ZINC001246131841 892427616 /nfs/dbraw/zinc/42/76/16/892427616.db2.gz KFOPSFRREOPAFK-UJWQCDCRSA-N 2 3 315.461 1.174 20 0 DDADHP CCOC(=O)C[C@H]([NH2+]C1C[C@H](C)N[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246225544 892487178 /nfs/dbraw/zinc/48/71/78/892487178.db2.gz DVOFWYBAJSTYND-XEZPLFJOSA-N 2 3 311.470 1.426 20 0 DDADHP CN1C(C)(C)CC([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1(C)C ZINC001246593803 892719028 /nfs/dbraw/zinc/71/90/28/892719028.db2.gz IFLIKXPBXPJJPH-UHFFFAOYSA-N 2 3 308.514 1.665 20 0 DDADHP CN1C(C)(C)CC([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1(C)C ZINC001246593803 892719042 /nfs/dbraw/zinc/71/90/42/892719042.db2.gz IFLIKXPBXPJJPH-UHFFFAOYSA-N 2 3 308.514 1.665 20 0 DDADHP C1CCC2(CC1)C[C@H](N1CCNC3(CC[NH2+]CC3)C1)CC[NH2+]2 ZINC001246594764 892720252 /nfs/dbraw/zinc/72/02/52/892720252.db2.gz LHHVBINJACNFLP-MRXNPFEDSA-N 2 3 306.498 1.469 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCNC(C)(C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246684967 892782927 /nfs/dbraw/zinc/78/29/27/892782927.db2.gz YXBLVOXEEHRMKN-DAYGRLMNSA-N 2 3 323.481 1.382 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCNC(C)(C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246684967 892782941 /nfs/dbraw/zinc/78/29/41/892782941.db2.gz YXBLVOXEEHRMKN-DAYGRLMNSA-N 2 3 323.481 1.382 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+](C3C[C@@H](C)N[C@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246685048 892783625 /nfs/dbraw/zinc/78/36/25/892783625.db2.gz ZWOMZACVQZVKQP-BSXFFOKHSA-N 2 3 323.481 1.380 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+](C3C[C@@H](C)N[C@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246685048 892783633 /nfs/dbraw/zinc/78/36/33/892783633.db2.gz ZWOMZACVQZVKQP-BSXFFOKHSA-N 2 3 323.481 1.380 20 0 DDADHP C(CN1CCCC1)[C@H]1CCCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787561 892899895 /nfs/dbraw/zinc/89/98/95/892899895.db2.gz QIYJFTUPUZXBDG-SJORKVTESA-N 2 3 306.498 1.421 20 0 DDADHP C(CN1CCCC1)[C@H]1CCCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787561 892899916 /nfs/dbraw/zinc/89/99/16/892899916.db2.gz QIYJFTUPUZXBDG-SJORKVTESA-N 2 3 306.498 1.421 20 0 DDADHP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)O1 ZINC001256563340 897477088 /nfs/dbraw/zinc/47/70/88/897477088.db2.gz ANCTVVRBAYUUJZ-BZUAXINKSA-N 2 3 313.486 1.564 20 0 DDADHP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414692061 419820840 /nfs/dbraw/zinc/82/08/40/419820840.db2.gz KNAXJQOYXSOARN-YDZRNGNQSA-N 2 3 322.541 1.865 20 0 DDADHP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423209077 419987537 /nfs/dbraw/zinc/98/75/37/419987537.db2.gz UODAMHYCWXKHMT-HKUYNNGSSA-N 2 3 316.493 1.392 20 0 DDADHP C[C@H](NCCN1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423209077 419987539 /nfs/dbraw/zinc/98/75/39/419987539.db2.gz UODAMHYCWXKHMT-HKUYNNGSSA-N 2 3 316.493 1.392 20 0 DDADHP C[C@H](NCCN1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423209077 419987543 /nfs/dbraw/zinc/98/75/43/419987543.db2.gz UODAMHYCWXKHMT-HKUYNNGSSA-N 2 3 316.493 1.392 20 0 DDADHP C[NH2+]CCOCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629531595 422712327 /nfs/dbraw/zinc/71/23/27/422712327.db2.gz QFDHNZVXHDVWHU-WBVHZDCISA-N 2 3 305.422 1.068 20 0 DDADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000423110245 534208993 /nfs/dbraw/zinc/20/89/93/534208993.db2.gz VIYKJEROMGUYLH-DLBZAZTESA-N 2 3 310.530 1.913 20 0 DDADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000423110245 534208996 /nfs/dbraw/zinc/20/89/96/534208996.db2.gz VIYKJEROMGUYLH-DLBZAZTESA-N 2 3 310.530 1.913 20 0 DDADHP C[NH+](C)C1(C)CCC([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873218900 707773032 /nfs/dbraw/zinc/77/30/32/707773032.db2.gz BJQQDSIQLQZMEO-HPUBIQBYSA-N 2 3 310.486 1.036 20 0 DDADHP C[NH2+]Cc1ccccc1CNC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903931176 711338319 /nfs/dbraw/zinc/33/83/19/711338319.db2.gz AJAHJMULLLSLNF-HNNXBMFYSA-N 2 3 315.465 1.355 20 0 DDADHP CCN1CCCC[C@@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161445370 736896250 /nfs/dbraw/zinc/89/62/50/736896250.db2.gz OUOKYERALDKATE-HZPDHXFCSA-N 2 3 310.486 1.003 20 0 DDADHP C[C@@H]1CC(NCCN(C)CC[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168029675 740795763 /nfs/dbraw/zinc/79/57/63/740795763.db2.gz UMQOFKUSMAGEGE-IAGOWNOFSA-N 2 3 318.509 1.908 20 0 DDADHP N[C@H](CCC[NH3+])Nc1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001170902451 771901633 /nfs/dbraw/zinc/90/16/33/771901633.db2.gz CMSBSWQHXUMDMW-ZACQAIPSSA-N 2 3 306.454 1.909 20 0 DDADHP Cc1cnc(N2CCN(CC3CC[NH+](C)CC3)CC2)c(C[NH3+])c1 ZINC001157841286 864185241 /nfs/dbraw/zinc/18/52/41/864185241.db2.gz AXYFWAFYDRNMLX-UHFFFAOYSA-N 2 3 317.481 1.313 20 0 DDADHP C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001206771313 872563775 /nfs/dbraw/zinc/56/37/75/872563775.db2.gz VYGKNTYZFBYMFM-NVXWUHKLSA-N 2 3 302.466 1.655 20 0 DDADHP c1cn(CCN2CC3(C2)CC[NH+](CC2CC[NH2+]CC2)CC3)cn1 ZINC001276713281 876425739 /nfs/dbraw/zinc/42/57/39/876425739.db2.gz AZXZZOJJTIPYHB-UHFFFAOYSA-N 2 3 317.481 1.281 20 0 DDADHP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219027750 877878717 /nfs/dbraw/zinc/87/87/17/877878717.db2.gz AUHOTOJJISILBW-HNNXBMFYSA-N 2 3 320.437 1.166 20 0 DDADHP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219951917 878614654 /nfs/dbraw/zinc/61/46/54/878614654.db2.gz HKYPNLFBZJJVQR-INIZCTEOSA-N 2 3 322.497 1.289 20 0 DDADHP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219951917 878614658 /nfs/dbraw/zinc/61/46/58/878614658.db2.gz HKYPNLFBZJJVQR-INIZCTEOSA-N 2 3 322.497 1.289 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001220854885 879319196 /nfs/dbraw/zinc/31/91/96/879319196.db2.gz CPLOWFCQOOZBQJ-INIZCTEOSA-N 2 3 306.454 1.257 20 0 DDADHP C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246140078 892436259 /nfs/dbraw/zinc/43/62/59/892436259.db2.gz DRHFPJQUVCTTHE-SJORKVTESA-N 2 3 320.525 1.857 20 0 DDADHP C(N[C@H]1CCC[N@H+](C2CCCC2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246140078 892436267 /nfs/dbraw/zinc/43/62/67/892436267.db2.gz DRHFPJQUVCTTHE-SJORKVTESA-N 2 3 320.525 1.857 20 0 DDADHP CCOC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2)C1CC[NH2+]CC1 ZINC001246225993 892487984 /nfs/dbraw/zinc/48/79/84/892487984.db2.gz HRQHZWQZTHSMRD-HZMVEIRTSA-N 2 3 323.481 1.571 20 0 DDADHP CCOC(=O)C1(CN[C@H]2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]CC1 ZINC001246319217 892539337 /nfs/dbraw/zinc/53/93/37/892539337.db2.gz NNROKSRTHLVHNN-GJZGRUSLSA-N 2 3 311.470 1.286 20 0 DDADHP c1ccc(C[C@@H]2C[C@H](NCCO[C@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246367897 892575397 /nfs/dbraw/zinc/57/53/97/892575397.db2.gz NFICMDSGPGEUJT-KURKYZTESA-N 2 3 303.450 1.318 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]CCO[C@H]3CC[NH2+]C3)CCN2)cc1 ZINC001246367897 892575407 /nfs/dbraw/zinc/57/54/07/892575407.db2.gz NFICMDSGPGEUJT-KURKYZTESA-N 2 3 303.450 1.318 20 0 DDADHP CCCC[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246374122 892584260 /nfs/dbraw/zinc/58/42/60/892584260.db2.gz KWDAWPPELZOYEH-KZNAEPCWSA-N 2 3 308.514 1.713 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246378700 892585972 /nfs/dbraw/zinc/58/59/72/892585972.db2.gz YIVCJWXDORRHAX-IKGGRYGDSA-N 2 3 308.514 1.569 20 0 DDADHP CC[C@@H]1C[C@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246422317 892617673 /nfs/dbraw/zinc/61/76/73/892617673.db2.gz HYKHWNITUPWFGG-IAGOWNOFSA-N 2 3 302.466 1.823 20 0 DDADHP C(C1CC[NH2+]CC1)C1CC[NH+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246980266 893051436 /nfs/dbraw/zinc/05/14/36/893051436.db2.gz QZJGGDDYXKVKNY-QGZVFWFLSA-N 2 3 307.482 1.609 20 0 DDADHP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256677324 897530235 /nfs/dbraw/zinc/53/02/35/897530235.db2.gz CKAYKCAORNIVNL-WWDZGPRUSA-N 2 3 309.498 1.951 20 0 DDADHP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256677324 897530242 /nfs/dbraw/zinc/53/02/42/897530242.db2.gz CKAYKCAORNIVNL-WWDZGPRUSA-N 2 3 309.498 1.951 20 0 DDADHP C[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CC[NH+](C)CC1 ZINC000090937348 539174351 /nfs/dbraw/zinc/17/43/51/539174351.db2.gz MTBHYKYAYUPROU-OAHLLOKOSA-N 2 3 320.481 1.842 20 0 DDADHP [NH3+]CCCOC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000569934577 304385335 /nfs/dbraw/zinc/38/53/35/304385335.db2.gz IOWRRKUYHLGZJV-UHFFFAOYSA-N 2 3 303.450 1.662 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000261882646 407652240 /nfs/dbraw/zinc/65/22/40/407652240.db2.gz SAKLSRDMLQVJQC-OAHLLOKOSA-N 2 3 322.497 1.051 20 0 DDADHP CC(C)N1CCN(CCC[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000337332081 410716928 /nfs/dbraw/zinc/71/69/28/410716928.db2.gz IYXTYZJILKMPGE-UHFFFAOYSA-N 2 3 310.530 1.676 20 0 DDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665234082 424762593 /nfs/dbraw/zinc/76/25/93/424762593.db2.gz WVFYDPAPCYIMGR-WMZOPIPTSA-N 2 3 309.498 1.985 20 0 DDADHP C[C@@H](CCC[NH3+])[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397485397 302354956 /nfs/dbraw/zinc/35/49/56/302354956.db2.gz BBWFGDSTXVBEFO-INIZCTEOSA-N 2 3 305.466 1.731 20 0 DDADHP CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923483531 714370981 /nfs/dbraw/zinc/37/09/81/714370981.db2.gz BOIJSSRPDAYWLF-RDJZCZTQSA-N 2 3 318.465 1.076 20 0 DDADHP CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923483531 714370983 /nfs/dbraw/zinc/37/09/83/714370983.db2.gz BOIJSSRPDAYWLF-RDJZCZTQSA-N 2 3 318.465 1.076 20 0 DDADHP N[C@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2ccccc21 ZINC000925845087 714949722 /nfs/dbraw/zinc/94/97/22/714949722.db2.gz FBHCKODKVBIPDW-ZWKOTPCHSA-N 2 3 302.466 1.796 20 0 DDADHP CN(C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205240755 751236318 /nfs/dbraw/zinc/23/63/18/751236318.db2.gz NWIDMKSTBGEMHW-KRWDZBQOSA-N 2 3 309.429 1.563 20 0 DDADHP CN(C)Cc1cc(F)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205240755 751236324 /nfs/dbraw/zinc/23/63/24/751236324.db2.gz NWIDMKSTBGEMHW-KRWDZBQOSA-N 2 3 309.429 1.563 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168989 864467282 /nfs/dbraw/zinc/46/72/82/864467282.db2.gz MAMOIDYZILDSAK-HNNXBMFYSA-N 2 3 310.486 1.227 20 0 DDADHP CCN([C@@H]1CCOC1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207398735 873234345 /nfs/dbraw/zinc/23/43/45/873234345.db2.gz LRTUBGUHLPHMIW-GOSISDBHSA-N 2 3 309.498 1.903 20 0 DDADHP c1cc2n(c1C[NH+]1CCC(C3CC[NH2+]CC3)CC1)CCNC2 ZINC001235702889 888898150 /nfs/dbraw/zinc/89/81/50/888898150.db2.gz VWDXSDZUFFNUOG-UHFFFAOYSA-N 2 3 302.466 1.803 20 0 DDADHP c1cc2n(c1)C[C@H](CC[NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)N3)C[NH2+]C2 ZINC001246144600 892437962 /nfs/dbraw/zinc/43/79/62/892437962.db2.gz XJTIYJLEXUWBQH-WCXIOVBPSA-N 2 3 302.466 1.860 20 0 DDADHP C(C[C@@H]1CCOC12CC[NH2+]CC2)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246143120 892438328 /nfs/dbraw/zinc/43/83/28/892438328.db2.gz TUEKPVHTXWMDOT-NCOADZHNSA-N 2 3 307.482 1.798 20 0 DDADHP Cc1cc(F)ccc1[C@@H]1C[C@@H](NCCO[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246368620 892575516 /nfs/dbraw/zinc/57/55/16/892575516.db2.gz ONPDVBTXJFAZTL-BQFCYCMXSA-N 2 3 321.440 1.895 20 0 DDADHP [NH3+]C1CCN(CC[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246407183 892607412 /nfs/dbraw/zinc/60/74/12/892607412.db2.gz XCBBNTAGNOFMTP-OALUTQOASA-N 2 3 316.493 1.362 20 0 DDADHP C[C@H]1CC(NCC2(c3ccccn3)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001246426653 892618956 /nfs/dbraw/zinc/61/89/56/892618956.db2.gz IOJFYKVQWKLTLO-GJZGRUSLSA-N 2 3 302.466 1.821 20 0 DDADHP CC[C@H]1CC(N2CCOCC3(CC[NH2+]CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246615226 892740997 /nfs/dbraw/zinc/74/09/97/892740997.db2.gz QWONGBDCPXAVGI-HOTGVXAUSA-N 2 3 309.498 1.998 20 0 DDADHP C1CC2(C[NH2+]1)CCC(N1CCOC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246646207 892766769 /nfs/dbraw/zinc/76/67/69/892766769.db2.gz LYSSNXSGUPOYEB-ABHNRTSZSA-N 2 3 307.482 1.611 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCN[C@@H](CC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677429 892781545 /nfs/dbraw/zinc/78/15/45/892781545.db2.gz DQTUAVWRHVAMCJ-CUSZFKRNSA-N 2 3 323.481 1.382 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCN[C@@H](CC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677429 892781549 /nfs/dbraw/zinc/78/15/49/892781549.db2.gz DQTUAVWRHVAMCJ-CUSZFKRNSA-N 2 3 323.481 1.382 20 0 DDADHP CC[C@@H]1CC(N2CC[C@@H](N3CCC([NH3+])CC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246973016 893039492 /nfs/dbraw/zinc/03/94/92/893039492.db2.gz DXTWDWDGBFSGIM-BRWVUGGUSA-N 2 3 308.514 1.793 20 0 DDADHP C[C@H]1CN(CCC2CC[NH+](CCOCC[NH3+])CC2)C[C@H](C)O1 ZINC000357067459 409835976 /nfs/dbraw/zinc/83/59/76/409835976.db2.gz FDEPYKLVMKLJFK-HOTGVXAUSA-N 2 3 313.486 1.173 20 0 DDADHP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423208620 419987464 /nfs/dbraw/zinc/98/74/64/419987464.db2.gz TYJNUWNDASGLTA-MRXNPFEDSA-N 2 3 320.481 1.183 20 0 DDADHP [NH3+]C1(CN[C@H]2CCC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000562751446 421410877 /nfs/dbraw/zinc/41/08/77/421410877.db2.gz ZINWOLJQIAHSIY-SFHVURJKSA-N 2 3 316.493 1.712 20 0 DDADHP [NH3+]CCCOC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873201566 707765287 /nfs/dbraw/zinc/76/52/87/707765287.db2.gz LPBSFXONCYJEFG-UHFFFAOYSA-N 2 3 309.479 1.724 20 0 DDADHP N[C@@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2ccccc21 ZINC000925845077 714949273 /nfs/dbraw/zinc/94/92/73/714949273.db2.gz FBHCKODKVBIPDW-MSOLQXFVSA-N 2 3 302.466 1.796 20 0 DDADHP CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC001413273933 856599608 /nfs/dbraw/zinc/59/96/08/856599608.db2.gz IAEZIFULXDUZIY-JCGIZDLHSA-N 2 3 300.450 1.980 20 0 DDADHP CN(C)CC[N@H+]1CC[C@H]2C[NH+](CC(C)(C)CN(C)C)C[C@H]2CC1 ZINC001276658249 875010172 /nfs/dbraw/zinc/01/01/72/875010172.db2.gz IQHZXYMRJKQDOR-HDICACEKSA-N 2 3 324.557 1.780 20 0 DDADHP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CC(C)(C)CN(C)C)C[C@H]2CC1 ZINC001276658249 875010186 /nfs/dbraw/zinc/01/01/86/875010186.db2.gz IQHZXYMRJKQDOR-HDICACEKSA-N 2 3 324.557 1.780 20 0 DDADHP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CC(C)(C)CN(C)C)C[C@H]2CC1 ZINC001276658249 875010198 /nfs/dbraw/zinc/01/01/98/875010198.db2.gz IQHZXYMRJKQDOR-HDICACEKSA-N 2 3 324.557 1.780 20 0 DDADHP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CC(C)(C)CN(C)C)C[C@H]2CC1 ZINC001276658249 875010210 /nfs/dbraw/zinc/01/02/10/875010210.db2.gz IQHZXYMRJKQDOR-HDICACEKSA-N 2 3 324.557 1.780 20 0 DDADHP O[C@@]1(C[NH2+][C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)CCCNC1 ZINC001245998129 892316960 /nfs/dbraw/zinc/31/69/60/892316960.db2.gz GKRNTRTXGMISCQ-MSOLQXFVSA-N 2 3 321.440 1.571 20 0 DDADHP OC1(C[N@H+](Cc2ccccc2)C2CCNCC2)CC[NH2+]CC1 ZINC001246055555 892388375 /nfs/dbraw/zinc/38/83/75/892388375.db2.gz RWLGXTKKNFTUTI-UHFFFAOYSA-N 2 3 303.450 1.355 20 0 DDADHP OC1(C[N@@H+](Cc2ccccc2)C2CCNCC2)CC[NH2+]CC1 ZINC001246055555 892388390 /nfs/dbraw/zinc/38/83/90/892388390.db2.gz RWLGXTKKNFTUTI-UHFFFAOYSA-N 2 3 303.450 1.355 20 0 DDADHP OC1(CN(Cc2ccccc2)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246055555 892388406 /nfs/dbraw/zinc/38/84/06/892388406.db2.gz RWLGXTKKNFTUTI-UHFFFAOYSA-N 2 3 303.450 1.355 20 0 DDADHP CC[C@@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246139532 892436863 /nfs/dbraw/zinc/43/68/63/892436863.db2.gz DGWAHCSCBGPPDQ-VVLHAWIVSA-N 2 3 308.514 1.759 20 0 DDADHP c1ccc([C@H]2C[C@H]([NH2+]C3CN(C4CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246215243 892482547 /nfs/dbraw/zinc/48/25/47/892482547.db2.gz NLQYGBLAHGCDOR-VQIMIIECSA-N 2 3 314.477 1.506 20 0 DDADHP c1cncc([C@H]2NCC[C@@H]2C[NH2+]C2CCC3(C[NH2+]C3)CC2)c1 ZINC001246341086 892552816 /nfs/dbraw/zinc/55/28/16/892552816.db2.gz OLJCUGMFEUTNRN-NVXWUHKLSA-N 2 3 300.450 1.854 20 0 DDADHP c1cncc(CC2(N[C@@H]3CSC4(C[NH2+]C4)C3)CC[NH2+]CC2)c1 ZINC001246419140 892615347 /nfs/dbraw/zinc/61/53/47/892615347.db2.gz FNPYCRLOKOTKLI-HNNXBMFYSA-N 2 3 318.490 1.183 20 0 DDADHP c1cncc(CC2([NH2+][C@@H]3CSC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246419140 892615350 /nfs/dbraw/zinc/61/53/50/892615350.db2.gz FNPYCRLOKOTKLI-HNNXBMFYSA-N 2 3 318.490 1.183 20 0 DDADHP NC1=CC=C(C2CC[NH+]([C@H]3CCC4(C3)CC[NH2+]CC4)CC2)NC1 ZINC001246496216 892658914 /nfs/dbraw/zinc/65/89/14/892658914.db2.gz SZKOBQLMCWYDIR-KRWDZBQOSA-N 2 3 316.493 1.950 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000635007669 422762126 /nfs/dbraw/zinc/76/21/26/422762126.db2.gz GBDHSCAXUGMOAN-GJZGRUSLSA-N 2 3 301.438 1.530 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000635007669 422762130 /nfs/dbraw/zinc/76/21/30/422762130.db2.gz GBDHSCAXUGMOAN-GJZGRUSLSA-N 2 3 301.438 1.530 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420320427 420204965 /nfs/dbraw/zinc/20/49/65/420204965.db2.gz QFFMGQMADPRUCI-OTWHNJEPSA-N 2 3 322.541 1.867 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420320427 420204971 /nfs/dbraw/zinc/20/49/71/420204971.db2.gz QFFMGQMADPRUCI-OTWHNJEPSA-N 2 3 322.541 1.867 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000574917371 422214560 /nfs/dbraw/zinc/21/45/60/422214560.db2.gz UFCBGATVGGQWNA-HDICACEKSA-N 2 3 308.514 1.334 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000574917371 422214563 /nfs/dbraw/zinc/21/45/63/422214563.db2.gz UFCBGATVGGQWNA-HDICACEKSA-N 2 3 308.514 1.334 20 0 DDADHP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000422739261 289152906 /nfs/dbraw/zinc/15/29/06/289152906.db2.gz KXAXOIGAGDEYOK-RTBURBONSA-N 2 3 316.493 1.994 20 0 DDADHP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243071 707781407 /nfs/dbraw/zinc/78/14/07/707781407.db2.gz JGGTXBPRFPQRAS-CYBMUJFWSA-N 2 3 302.426 1.333 20 0 DDADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCC[NH+]1CCCCC1)C2 ZINC000903492653 711147643 /nfs/dbraw/zinc/14/76/43/711147643.db2.gz IRJMUQRBSNZTKF-UXLLHSPISA-N 2 3 309.454 1.075 20 0 DDADHP C[NH+]1CCC(NCc2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000925807744 714940610 /nfs/dbraw/zinc/94/06/10/714940610.db2.gz HLOLVIZDXVGRGD-UHFFFAOYSA-N 2 3 302.466 1.276 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461428 865859430 /nfs/dbraw/zinc/85/94/30/865859430.db2.gz PJJLYEHCCATXDL-IRXDYDNUSA-N 2 3 324.513 1.523 20 0 DDADHP C[C@@H]1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)C[C@@H]1C[NH3+] ZINC001205305164 871489961 /nfs/dbraw/zinc/48/99/61/871489961.db2.gz RGVKWXOIGQBZOE-WBVHZDCISA-N 2 3 302.466 1.513 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680455 879182508 /nfs/dbraw/zinc/18/25/08/879182508.db2.gz CLAUMORSXQTXHX-JJXSEGSLSA-N 2 3 310.486 1.271 20 0 DDADHP [NH3+]C1([C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@H]2CF)CC1 ZINC001235399953 888615088 /nfs/dbraw/zinc/61/50/88/888615088.db2.gz BDVDCMOEIQQVOM-IAGOWNOFSA-N 2 3 303.425 1.841 20 0 DDADHP [NH3+]CC1CN([C@H]2CCCN(Cc3cc4c(s3)C[NH2+]CC4)C2)C1 ZINC001236079257 889096194 /nfs/dbraw/zinc/09/61/94/889096194.db2.gz NBVAMESPJIAYNO-HNNXBMFYSA-N 2 3 320.506 1.249 20 0 DDADHP C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CCCC[C@@H]1N ZINC001236220182 889147232 /nfs/dbraw/zinc/14/72/32/889147232.db2.gz YMRNJQKDEFYYMF-ZWKOTPCHSA-N 2 3 302.466 1.798 20 0 DDADHP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CCCC[C@@H]1N ZINC001236220182 889147242 /nfs/dbraw/zinc/14/72/42/889147242.db2.gz YMRNJQKDEFYYMF-ZWKOTPCHSA-N 2 3 302.466 1.798 20 0 DDADHP O[C@@]1(C[NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CCCNC1 ZINC001246001573 892319735 /nfs/dbraw/zinc/31/97/35/892319735.db2.gz BVBNSGWIJYNRTL-SFHVURJKSA-N 2 3 303.450 1.012 20 0 DDADHP C[C@@H](CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246079140 892403728 /nfs/dbraw/zinc/40/37/28/892403728.db2.gz JEIJGOMSZTZQPG-JQHSSLGASA-N 2 3 302.466 1.363 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)C[C@H](C1)N2 ZINC001246099362 892414700 /nfs/dbraw/zinc/41/47/00/892414700.db2.gz WVJQUFJWCKUUGX-JMDIOJQTSA-N 2 3 309.454 1.036 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@H]3COC4(C[NH2+]C4)C3)CCN2)cc1 ZINC001246136004 892429759 /nfs/dbraw/zinc/42/97/59/892429759.db2.gz QXAJKIOZSLWOHO-OKZBNKHCSA-N 2 3 315.461 1.318 20 0 DDADHP c1cc2n(c1)C[C@H](CC[NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3)C[NH2+]C2 ZINC001246144596 892438123 /nfs/dbraw/zinc/43/81/23/892438123.db2.gz XJTIYJLEXUWBQH-NCOADZHNSA-N 2 3 302.466 1.860 20 0 DDADHP c1ccc([C@@H]2C[C@@H]([NH2+]C3CN(C4CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246215240 892483304 /nfs/dbraw/zinc/48/33/04/892483304.db2.gz NLQYGBLAHGCDOR-LPHOPBHVSA-N 2 3 314.477 1.506 20 0 DDADHP CC[C@@H]1CC(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246969178 893033734 /nfs/dbraw/zinc/03/37/34/893033734.db2.gz UXBDWMRTMWXICN-BZUAXINKSA-N 2 3 308.514 1.793 20 0 DDADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422828437 532966537 /nfs/dbraw/zinc/96/65/37/532966537.db2.gz AZLGRTFTZVMETJ-CABCVRRESA-N 2 3 305.466 1.859 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367616084 418615935 /nfs/dbraw/zinc/61/59/35/418615935.db2.gz NIGMHRSMXKDMSR-KZNAEPCWSA-N 2 3 308.514 1.475 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367616084 418615937 /nfs/dbraw/zinc/61/59/37/418615937.db2.gz NIGMHRSMXKDMSR-KZNAEPCWSA-N 2 3 308.514 1.475 20 0 DDADHP C[C@@]1(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000415138841 279161669 /nfs/dbraw/zinc/16/16/69/279161669.db2.gz VTSWMILODKWJAC-GOSISDBHSA-N 2 3 316.493 1.569 20 0 DDADHP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000422739255 289152815 /nfs/dbraw/zinc/15/28/15/289152815.db2.gz KXAXOIGAGDEYOK-MOPGFXCFSA-N 2 3 316.493 1.994 20 0 DDADHP CC(C)[C@H](C[NH3+])C[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873215539 707772179 /nfs/dbraw/zinc/77/21/79/707772179.db2.gz CARAULDOZHRALK-CQSZACIVSA-N 2 3 302.426 1.047 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)CC[NH2+]C(C)(C)C)CC2)CC1 ZINC000931217337 714039948 /nfs/dbraw/zinc/03/99/48/714039948.db2.gz PYZQEOKBXMKNIP-UHFFFAOYSA-N 2 3 324.513 1.439 20 0 DDADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN(CC3CC[NH+](C)CC3)CC1)C2 ZINC001169154454 762264473 /nfs/dbraw/zinc/26/44/73/762264473.db2.gz QSSGNHHYSYNDDZ-BWTSREIZSA-N 2 3 320.525 1.571 20 0 DDADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN(CC3CC[NH+](C)CC3)CC1)C2 ZINC001169154454 762264474 /nfs/dbraw/zinc/26/44/74/762264474.db2.gz QSSGNHHYSYNDDZ-BWTSREIZSA-N 2 3 320.525 1.571 20 0 DDADHP C[C@H]1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)C[C@@H]1C[NH3+] ZINC001205305163 871490408 /nfs/dbraw/zinc/49/04/08/871490408.db2.gz RGVKWXOIGQBZOE-RDJZCZTQSA-N 2 3 302.466 1.513 20 0 DDADHP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001218894951 877790070 /nfs/dbraw/zinc/79/00/70/877790070.db2.gz DLBMRKNRCQGJMJ-HNNXBMFYSA-N 2 3 304.438 1.188 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC(C)(C)CC[NH+](C)C ZINC001220385801 878969374 /nfs/dbraw/zinc/96/93/74/878969374.db2.gz AXJVJFJAJOQNBX-AWEZNQCLSA-N 2 3 300.491 1.329 20 0 DDADHP OC1(CNC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001245999416 892315809 /nfs/dbraw/zinc/31/58/09/892315809.db2.gz WMORXRJXIUMXGZ-UHFFFAOYSA-N 2 3 321.440 1.195 20 0 DDADHP OC1(C[NH2+]C2(Cc3ccccc3F)CCNCC2)CC[NH2+]CC1 ZINC001245999416 892315826 /nfs/dbraw/zinc/31/58/26/892315826.db2.gz WMORXRJXIUMXGZ-UHFFFAOYSA-N 2 3 321.440 1.195 20 0 DDADHP C1CCC2(CC1)C[C@H](N1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CC[NH2+]2 ZINC001246628685 892750213 /nfs/dbraw/zinc/75/02/13/892750213.db2.gz CFLUTYIVPZEQAU-BRWVUGGUSA-N 2 3 307.482 1.752 20 0 DDADHP CC[NH+](C)C[C@H]1CCN(CCCN2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000173913974 248348982 /nfs/dbraw/zinc/34/89/82/248348982.db2.gz PXUVYGYUMSSMCG-RTBURBONSA-N 2 3 324.557 1.924 20 0 DDADHP CC[NH+](C)C[C@H]1CCN(CCCN2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000173913974 248348986 /nfs/dbraw/zinc/34/89/86/248348986.db2.gz PXUVYGYUMSSMCG-RTBURBONSA-N 2 3 324.557 1.924 20 0 DDADHP Cc1nc(NC[C@H](C)C[NH+](C)C)cc(NC[C@H](C)C[NH+](C)C)n1 ZINC000567818414 304245689 /nfs/dbraw/zinc/24/56/89/304245689.db2.gz ILGPESOEOFLNHN-KBPBESRZSA-N 2 3 322.501 1.426 20 0 DDADHP CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000647794248 423051027 /nfs/dbraw/zinc/05/10/27/423051027.db2.gz VWLHSVICIPPNOY-GVDBMIGSSA-N 2 3 318.465 1.500 20 0 DDADHP C[C@H](C[NH3+])CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000414884817 419859871 /nfs/dbraw/zinc/85/98/71/419859871.db2.gz WJZIRSQTTSXDBL-OAHLLOKOSA-N 2 3 304.482 1.901 20 0 DDADHP CCN1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H](C)C1 ZINC000415056308 419925784 /nfs/dbraw/zinc/92/57/84/419925784.db2.gz PWIADZCFXAZOJK-CPFNUKBASA-N 2 3 308.514 1.523 20 0 DDADHP CCN1CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@H](C)C1 ZINC000415056308 419925790 /nfs/dbraw/zinc/92/57/90/419925790.db2.gz PWIADZCFXAZOJK-CPFNUKBASA-N 2 3 308.514 1.523 20 0 DDADHP c1c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)onc1C1CC[NH2+]CC1 ZINC000564879500 308009766 /nfs/dbraw/zinc/00/97/66/308009766.db2.gz HLISZKMYUFACMF-DOTOQJQBSA-N 2 3 304.438 1.619 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCCCN2)CC[NH2+]CC1 ZINC000902483586 710768124 /nfs/dbraw/zinc/76/81/24/710768124.db2.gz RXVOAOLWCWSXKE-LSDHHAIUSA-N 2 3 311.470 1.430 20 0 DDADHP CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903778526 711277022 /nfs/dbraw/zinc/27/70/22/711277022.db2.gz NVJQTUVGSGXQMT-YJBOKZPZSA-N 2 3 309.498 1.842 20 0 DDADHP CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903778526 711277024 /nfs/dbraw/zinc/27/70/24/711277024.db2.gz NVJQTUVGSGXQMT-YJBOKZPZSA-N 2 3 309.498 1.842 20 0 DDADHP O=C1O[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC12CC[NH2+]CC2 ZINC000925849590 714950399 /nfs/dbraw/zinc/95/03/99/714950399.db2.gz QDESLPIJBCUFHE-YHUYYLMFSA-N 2 3 321.465 1.182 20 0 DDADHP [NH3+]C1CCN(c2cccc(NC[C@]3(F)CCCC[NH2+]C3)n2)CC1 ZINC001155119372 861750582 /nfs/dbraw/zinc/75/05/82/861750582.db2.gz PLNYNMXYGGNBRI-KRWDZBQOSA-N 2 3 321.444 1.903 20 0 DDADHP CN(CCN(C)C(=O)[C@@H]([NH3+])CCCC[NH3+])Cc1ccccc1 ZINC001161160543 866417056 /nfs/dbraw/zinc/41/70/56/866417056.db2.gz BGBAOIOESXCMOI-INIZCTEOSA-N 2 3 306.454 1.033 20 0 DDADHP CN(C)CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001161449911 866674208 /nfs/dbraw/zinc/67/42/08/866674208.db2.gz VFNPKNJGOHEGHS-NPYXIHBLSA-N 2 3 322.497 1.049 20 0 DDADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001161488948 866705573 /nfs/dbraw/zinc/70/55/73/866705573.db2.gz INAQRSZWZODMPL-YJBOKZPZSA-N 2 3 322.497 1.038 20 0 DDADHP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCCN(C)C1)CC2 ZINC001276498634 872657036 /nfs/dbraw/zinc/65/70/36/872657036.db2.gz XLTPQHXTVMRQFF-GOSISDBHSA-N 2 3 322.541 1.678 20 0 DDADHP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCCN(C)C1)CC2 ZINC001276498634 872657039 /nfs/dbraw/zinc/65/70/39/872657039.db2.gz XLTPQHXTVMRQFF-GOSISDBHSA-N 2 3 322.541 1.678 20 0 DDADHP N[C@H](CCC[NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001218860181 877772038 /nfs/dbraw/zinc/77/20/38/877772038.db2.gz SZPANQRMLFNEIZ-MRXNPFEDSA-N 2 3 320.437 1.166 20 0 DDADHP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)cc1 ZINC001219345248 878138622 /nfs/dbraw/zinc/13/86/22/878138622.db2.gz FGHZZKKPZPLJFG-OAHLLOKOSA-N 2 3 316.449 1.548 20 0 DDADHP c1ccc(N2CC[NH2+]CC2)c(CN2CCCC23CC[NH2+]CC3)c1 ZINC001235143502 888434004 /nfs/dbraw/zinc/43/40/04/888434004.db2.gz CVSZZXGACANIFW-UHFFFAOYSA-N 2 3 314.477 1.814 20 0 DDADHP OC1(CN2CCC3(CC2)[NH2+]CCc2ccccc23)CC[NH2+]CC1 ZINC001246066151 892399144 /nfs/dbraw/zinc/39/91/44/892399144.db2.gz RNEUAKLDUWMUDC-UHFFFAOYSA-N 2 3 315.461 1.238 20 0 DDADHP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)O1 ZINC001256563344 897477462 /nfs/dbraw/zinc/47/74/62/897477462.db2.gz ANCTVVRBAYUUJZ-OAGGEKHMSA-N 2 3 313.486 1.564 20 0 DDADHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC(C)(C)[NH3+] ZINC000261999462 407707593 /nfs/dbraw/zinc/70/75/93/407707593.db2.gz TZDGOIQXONKAJM-UHFFFAOYSA-N 2 3 310.530 1.852 20 0 DDADHP CN1CCC([NH+]2CCC(CC[N@H+](C)CC(C)(C)N)CC2)CC1 ZINC000261999462 407707601 /nfs/dbraw/zinc/70/76/01/407707601.db2.gz TZDGOIQXONKAJM-UHFFFAOYSA-N 2 3 310.530 1.852 20 0 DDADHP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(C)(C)N)CC2)CC1 ZINC000261999462 407707607 /nfs/dbraw/zinc/70/76/07/407707607.db2.gz TZDGOIQXONKAJM-UHFFFAOYSA-N 2 3 310.530 1.852 20 0 DDADHP C[C@@H]1C[C@@H](NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414860696 419845245 /nfs/dbraw/zinc/84/52/45/419845245.db2.gz CZCUUQZSNBFGEL-MJGOQNOKSA-N 2 3 316.493 1.534 20 0 DDADHP C[C@@H]1C[C@@H](NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000414860696 419845255 /nfs/dbraw/zinc/84/52/55/419845255.db2.gz CZCUUQZSNBFGEL-MJGOQNOKSA-N 2 3 316.493 1.534 20 0 DDADHP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505844 288102854 /nfs/dbraw/zinc/10/28/54/288102854.db2.gz IAHAWGSGRGZLSV-IUGQGLEPSA-N 2 3 308.514 1.521 20 0 DDADHP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505844 288102857 /nfs/dbraw/zinc/10/28/57/288102857.db2.gz IAHAWGSGRGZLSV-IUGQGLEPSA-N 2 3 308.514 1.521 20 0 DDADHP CC(C)N1CCN(C2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000414709869 529039651 /nfs/dbraw/zinc/03/96/51/529039651.db2.gz QPBKKXDVRLMJKK-ZWKOTPCHSA-N 2 3 322.541 1.865 20 0 DDADHP C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873295049 707801184 /nfs/dbraw/zinc/80/11/84/707801184.db2.gz XZQDVEGJTFQTHV-LTIDMASMSA-N 2 3 307.482 1.655 20 0 DDADHP C[NH2+]CCC1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903874268 711311674 /nfs/dbraw/zinc/31/16/74/711311674.db2.gz WUAKICCAFANAFQ-INIZCTEOSA-N 2 3 307.486 1.167 20 0 DDADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000923372172 714331604 /nfs/dbraw/zinc/33/16/04/714331604.db2.gz FBCHYGOTJKILBR-HYVNUMGLSA-N 2 3 305.466 1.314 20 0 DDADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000923372172 714331606 /nfs/dbraw/zinc/33/16/06/714331606.db2.gz FBCHYGOTJKILBR-HYVNUMGLSA-N 2 3 305.466 1.314 20 0 DDADHP C[NH+]1CCC(N2CC[C@@H](N[C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)CC1 ZINC000925482822 714870753 /nfs/dbraw/zinc/87/07/53/714870753.db2.gz OEVLFIAIZKBVSG-NRSFXHEJSA-N 2 3 320.525 1.521 20 0 DDADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000925717305 714920467 /nfs/dbraw/zinc/92/04/67/714920467.db2.gz SLGUHUPQVPXVBD-IECFSIQFSA-N 2 3 307.482 1.450 20 0 DDADHP c1ccc([C@@H]2C[C@@H](NC[C@H]3CC4(CC[NH2+]CC4)O3)CC[NH2+]2)cc1 ZINC001246135553 892430207 /nfs/dbraw/zinc/43/02/07/892430207.db2.gz ZLBLXVFTZMBQHK-KSZLIROESA-N 2 3 315.461 1.980 20 0 DDADHP CCCC[C@@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246141025 892436161 /nfs/dbraw/zinc/43/61/61/892436161.db2.gz HVHDFLZIXXJJGF-BRWVUGGUSA-N 2 3 308.514 1.761 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246378703 892586532 /nfs/dbraw/zinc/58/65/32/892586532.db2.gz YIVCJWXDORRHAX-ZACQAIPSSA-N 2 3 308.514 1.569 20 0 DDADHP c1ccc([C@H]2CN([C@H]3CSC4(C[NH2+]C4)C3)CC23C[NH2+]C3)cc1 ZINC001246623815 892746089 /nfs/dbraw/zinc/74/60/89/892746089.db2.gz NQVVRTFOUHCBLD-HZPDHXFCSA-N 2 3 315.486 1.523 20 0 DDADHP CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246852059 892941432 /nfs/dbraw/zinc/94/14/32/892941432.db2.gz OREDKELCVSHBSZ-ULQDDVLXSA-N 2 3 306.498 1.419 20 0 DDADHP CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246852059 892941442 /nfs/dbraw/zinc/94/14/42/892941442.db2.gz OREDKELCVSHBSZ-ULQDDVLXSA-N 2 3 306.498 1.419 20 0 DDADHP CC[C@H]1CC(N2CCC(N3CC[NH2+]CC3)CC2)C[C@H](CC)[NH2+]1 ZINC001246886867 892970684 /nfs/dbraw/zinc/97/06/84/892970684.db2.gz LYIDUZNLEXCKMF-HOTGVXAUSA-N 2 3 308.514 1.665 20 0 DDADHP CC[NH+]1CCC(C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256679848 897532861 /nfs/dbraw/zinc/53/28/61/897532861.db2.gz UCKDVXVSODLQAV-UHFFFAOYSA-N 2 3 309.498 1.951 20 0 DDADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCN2CC[NH2+]CC2)CC1 ZINC000414774839 287310928 /nfs/dbraw/zinc/31/09/28/287310928.db2.gz BVKQYRMSVXVDHR-IEBWSBKVSA-N 2 3 322.541 1.914 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422815845 227193863 /nfs/dbraw/zinc/19/38/63/227193863.db2.gz CQZNBDYIVFRFNY-GUDVDZBRSA-N 2 3 322.541 1.913 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423035211 227322675 /nfs/dbraw/zinc/32/26/75/227322675.db2.gz RCUSQIOPAMKCIY-SNRMKQJTSA-N 2 3 317.477 1.860 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423035211 227322680 /nfs/dbraw/zinc/32/26/80/227322680.db2.gz RCUSQIOPAMKCIY-SNRMKQJTSA-N 2 3 317.477 1.860 20 0 DDADHP C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422797132 419968881 /nfs/dbraw/zinc/96/88/81/419968881.db2.gz ZXONGKSAFKLWLU-IRXDYDNUSA-N 2 3 308.514 1.667 20 0 DDADHP CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422858537 529144679 /nfs/dbraw/zinc/14/46/79/529144679.db2.gz IYNPCYLDFGGKBW-RCCFBDPRSA-N 2 3 308.514 1.524 20 0 DDADHP CC(C)(C)[NH+]1CCC(NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873292579 707800405 /nfs/dbraw/zinc/80/04/05/707800405.db2.gz ULUWXPFYKGEXTP-MRXNPFEDSA-N 2 3 309.498 1.998 20 0 DDADHP c1cc(N2CCC(CN[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc[nH+]1 ZINC000925615970 714900572 /nfs/dbraw/zinc/90/05/72/714900572.db2.gz PVSMZENKQYJTMV-BSWVEEBUSA-N 2 3 312.461 1.884 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816984 714942696 /nfs/dbraw/zinc/94/26/96/714942696.db2.gz KOGZJCIJHNXKCE-APWZRJJASA-N 2 3 316.493 1.570 20 0 DDADHP CCC[N@H+]1C[C@@H]2C[NH+](C3CCN(CCCOC)CC3)C[C@@H]2C1 ZINC001172254023 776740225 /nfs/dbraw/zinc/74/02/25/776740225.db2.gz HBVAKJSLAUTUBN-CALCHBBNSA-N 2 3 309.498 1.761 20 0 DDADHP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCN(CCCOC)CC3)C[C@@H]2C1 ZINC001172254023 776740230 /nfs/dbraw/zinc/74/02/30/776740230.db2.gz HBVAKJSLAUTUBN-CALCHBBNSA-N 2 3 309.498 1.761 20 0 DDADHP CCC[NH+]1C[C@@H]2C[N@H+](C3CCN(CCCOC)CC3)C[C@@H]2C1 ZINC001172254023 776740235 /nfs/dbraw/zinc/74/02/35/776740235.db2.gz HBVAKJSLAUTUBN-CALCHBBNSA-N 2 3 309.498 1.761 20 0 DDADHP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCN(CCCOC)CC3)C[C@@H]2C1 ZINC001172254023 776740240 /nfs/dbraw/zinc/74/02/40/776740240.db2.gz HBVAKJSLAUTUBN-CALCHBBNSA-N 2 3 309.498 1.761 20 0 DDADHP N[C@H](C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001158031987 864372615 /nfs/dbraw/zinc/37/26/15/864372615.db2.gz PLRFBIBDJMLATP-WMZOPIPTSA-N 2 3 322.497 1.086 20 0 DDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)CC1CCC1 ZINC001160626768 865980523 /nfs/dbraw/zinc/98/05/23/865980523.db2.gz ATUVOMOLXCWEKS-INIZCTEOSA-N 2 3 312.502 1.236 20 0 DDADHP C[C@H]1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@H]1C[NH3+] ZINC001205305884 871489468 /nfs/dbraw/zinc/48/94/68/871489468.db2.gz TXOPEPFVMNQAGI-QFBILLFUSA-N 2 3 316.493 1.509 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161627 878763376 /nfs/dbraw/zinc/76/33/76/878763376.db2.gz DKTJTHSMXJIVGQ-ZOBUZTSGSA-N 2 3 310.486 1.084 20 0 DDADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)[C@H](C)C1 ZINC001221405513 879759486 /nfs/dbraw/zinc/75/94/86/879759486.db2.gz AKJYSVTWEYUZAZ-PMPSAXMXSA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)[C@H](C)C1 ZINC001221405513 879759496 /nfs/dbraw/zinc/75/94/96/879759496.db2.gz AKJYSVTWEYUZAZ-PMPSAXMXSA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)[C@H](C)C1 ZINC001221405513 879759508 /nfs/dbraw/zinc/75/95/08/879759508.db2.gz AKJYSVTWEYUZAZ-PMPSAXMXSA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)[C@H](C)C1 ZINC001221405513 879759512 /nfs/dbraw/zinc/75/95/12/879759512.db2.gz AKJYSVTWEYUZAZ-PMPSAXMXSA-N 2 3 322.497 1.096 20 0 DDADHP O[C@@]1(C[NH2+][C@H](CC2CC[NH2+]CC2)c2ccccc2)CCCNC1 ZINC001245998812 892316707 /nfs/dbraw/zinc/31/67/07/892316707.db2.gz JECPXTAYJJWFGH-MOPGFXCFSA-N 2 3 317.477 1.822 20 0 DDADHP C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246150066 892443843 /nfs/dbraw/zinc/44/38/43/892443843.db2.gz VJBDABUSVWUQLH-KRWDZBQOSA-N 2 3 306.498 1.325 20 0 DDADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+]C2CCC3(C[NH2+]C3)CC2)c1 ZINC001246341087 892551814 /nfs/dbraw/zinc/55/18/14/892551814.db2.gz OLJCUGMFEUTNRN-RDJZCZTQSA-N 2 3 300.450 1.854 20 0 DDADHP C1[NH2+]CC12C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CCN2 ZINC001246367833 892576260 /nfs/dbraw/zinc/57/62/60/892576260.db2.gz VFHXREOBJLAWFW-INIZCTEOSA-N 2 3 306.498 1.467 20 0 DDADHP CC[C@@H]1C[C@@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)C[C@H](CC)[NH2+]1 ZINC001246969182 893033435 /nfs/dbraw/zinc/03/34/35/893033435.db2.gz UXBDWMRTMWXICN-XLMAVXFVSA-N 2 3 308.514 1.793 20 0 DDADHP CN1CC[C@]2(CC[N@@H+](C3CCC([NH+]4CCOCC4)CC3)C2)C1 ZINC001256695592 897548266 /nfs/dbraw/zinc/54/82/66/897548266.db2.gz GAPGMVOVQQJNRE-ABHNRTSZSA-N 2 3 307.482 1.657 20 0 DDADHP CN1CC[C@]2(CC[N@H+](C3CCC([NH+]4CCOCC4)CC3)C2)C1 ZINC001256695592 897548273 /nfs/dbraw/zinc/54/82/73/897548273.db2.gz GAPGMVOVQQJNRE-ABHNRTSZSA-N 2 3 307.482 1.657 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359221378 299362340 /nfs/dbraw/zinc/36/23/40/299362340.db2.gz PKQKZQSULQVARJ-HDICACEKSA-N 2 3 322.541 1.867 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359221378 299362341 /nfs/dbraw/zinc/36/23/41/299362341.db2.gz PKQKZQSULQVARJ-HDICACEKSA-N 2 3 322.541 1.867 20 0 DDADHP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000547623037 303543133 /nfs/dbraw/zinc/54/31/33/303543133.db2.gz XDSMDGDYVYIBHZ-CQSZACIVSA-N 2 3 300.491 1.105 20 0 DDADHP CN(C)CCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952041 485385168 /nfs/dbraw/zinc/38/51/68/485385168.db2.gz CQUPBSLXRSKHIZ-QGZVFWFLSA-N 2 3 303.450 1.859 20 0 DDADHP C[NH+]1CCC(N2CC[C@@H](N[C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)CC1 ZINC000925482819 714870795 /nfs/dbraw/zinc/87/07/95/714870795.db2.gz OEVLFIAIZKBVSG-BGTYHANMSA-N 2 3 320.525 1.521 20 0 DDADHP C[C@@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)CC(C)(C)CC[NH3+] ZINC001220763512 879237654 /nfs/dbraw/zinc/23/76/54/879237654.db2.gz DXKBNIGCPNAACJ-CABCVRRESA-N 2 3 314.518 1.563 20 0 DDADHP CN(C)CCN(C(=O)C1(C)CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161443497 866672260 /nfs/dbraw/zinc/67/22/60/866672260.db2.gz WJRFZSJHJJYVED-CKDBGZEDSA-N 2 3 310.486 1.036 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219233580 878037940 /nfs/dbraw/zinc/03/79/40/878037940.db2.gz RSNJNZQVYBWQAY-CJNGLKHVSA-N 2 3 319.453 1.009 20 0 DDADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001221407722 879763501 /nfs/dbraw/zinc/76/35/01/879763501.db2.gz MCFUETDUOGGMTH-HRCADAONSA-N 2 3 312.502 1.281 20 0 DDADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001221407722 879763511 /nfs/dbraw/zinc/76/35/11/879763511.db2.gz MCFUETDUOGGMTH-HRCADAONSA-N 2 3 312.502 1.281 20 0 DDADHP [NH3+]C1([C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]2CF)CC1 ZINC001235399952 888614644 /nfs/dbraw/zinc/61/46/44/888614644.db2.gz BDVDCMOEIQQVOM-DLBZAZTESA-N 2 3 303.425 1.841 20 0 DDADHP CN1CCC([N@H+](CC[C@H]2CCC[NH2+]C2)C2CCNCC2)CC1 ZINC001237038856 889476325 /nfs/dbraw/zinc/47/63/25/889476325.db2.gz XTPFJDCFYPWQTL-MRXNPFEDSA-N 2 3 308.514 1.524 20 0 DDADHP CN1CCC([N@@H+](CC[C@H]2CCC[NH2+]C2)C2CCNCC2)CC1 ZINC001237038856 889476333 /nfs/dbraw/zinc/47/63/33/889476333.db2.gz XTPFJDCFYPWQTL-MRXNPFEDSA-N 2 3 308.514 1.524 20 0 DDADHP O[C@@]1(C[NH2+][C@@H](CC2CC[NH2+]CC2)c2ccccc2)CCCNC1 ZINC001245998813 892315195 /nfs/dbraw/zinc/31/51/95/892315195.db2.gz JECPXTAYJJWFGH-OALUTQOASA-N 2 3 317.477 1.822 20 0 DDADHP [NH3+]C1CCC(N(Cc2ccccc2)C[C@@]2(O)CC[NH2+]C2)CC1 ZINC001246063549 892393886 /nfs/dbraw/zinc/39/38/86/892393886.db2.gz KNTKUMSQYXTFNE-DAWZGUTISA-N 2 3 303.450 1.483 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)C[C@@]2(O)CCCNC2)CC1 ZINC001246069697 892400180 /nfs/dbraw/zinc/40/01/80/892400180.db2.gz LBTDXKRIQBEFTQ-KZNAEPCWSA-N 2 3 318.465 1.268 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C[C@@]2(O)CCCNC2)CC1 ZINC001246069697 892400193 /nfs/dbraw/zinc/40/01/93/892400193.db2.gz LBTDXKRIQBEFTQ-KZNAEPCWSA-N 2 3 318.465 1.268 20 0 DDADHP CC[NH+](CC)C1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246088920 892412221 /nfs/dbraw/zinc/41/22/21/892412221.db2.gz MMWBWRYIKUZTAU-SSHXOBKSSA-N 2 3 301.450 1.292 20 0 DDADHP CC[C@@H]1CC(NCC2(C(=O)OC)CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246095830 892415098 /nfs/dbraw/zinc/41/50/98/892415098.db2.gz GIXIBEAGDIOJLF-ZIAGYGMSSA-N 2 3 311.470 1.428 20 0 DDADHP C(NC1CCC2(CCC[NH2+]C2)CC1)c1nnn2c1C[NH2+]CCC2 ZINC001246128625 892425645 /nfs/dbraw/zinc/42/56/45/892425645.db2.gz DZHZXEYAAOQQDU-UHFFFAOYSA-N 2 3 318.469 1.173 20 0 DDADHP C(C[C@@H]1CCOC12CC[NH2+]CC2)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246138938 892436516 /nfs/dbraw/zinc/43/65/16/892436516.db2.gz LLTDLPAKYIUJIM-CVEARBPZSA-N 2 3 307.482 1.800 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)CCN2)cc1 ZINC001246149593 892443716 /nfs/dbraw/zinc/44/37/16/892443716.db2.gz KFOPSFRREOPAFK-UURKPOQGSA-N 2 3 315.461 1.174 20 0 DDADHP F[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246222730 892488437 /nfs/dbraw/zinc/48/84/37/892488437.db2.gz NICYSAAKVDJPNB-XMTFNYHQSA-N 2 3 305.441 1.887 20 0 DDADHP Fc1ccccc1C1([NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNCC1 ZINC001246435298 892622420 /nfs/dbraw/zinc/62/24/20/892622420.db2.gz GYBUADSHLDFWDK-FICVDOATSA-N 2 3 303.425 1.992 20 0 DDADHP NC1=CC=C(C2CC[NH+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC2)NC1 ZINC001246495479 892659372 /nfs/dbraw/zinc/65/93/72/892659372.db2.gz POKQIBMUKMTSRC-MJGOQNOKSA-N 2 3 316.493 1.950 20 0 DDADHP CC[C@@H]1C[C@H](N2CCC[C@H](N3CC(C[NH3+])C3)C2)C[C@H](CC)[NH2+]1 ZINC001246876012 892964907 /nfs/dbraw/zinc/96/49/07/892964907.db2.gz XFBSHXRYXYHQMA-XWTMOSNGSA-N 2 3 308.514 1.651 20 0 DDADHP C[NH+]1CCC(CN2CCN([C@@H]3CCC[N@H+](C)CC3)CC2)CC1 ZINC001254532383 896489137 /nfs/dbraw/zinc/48/91/37/896489137.db2.gz RZPIHHNTUPJLCE-GOSISDBHSA-N 2 3 308.514 1.430 20 0 DDADHP C[NH+]1CCC(CN2CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)CC1 ZINC001254532383 896489141 /nfs/dbraw/zinc/48/91/41/896489141.db2.gz RZPIHHNTUPJLCE-GOSISDBHSA-N 2 3 308.514 1.430 20 0 DDADHP COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC[NH2+]CC1 ZINC000423397428 420037930 /nfs/dbraw/zinc/03/79/30/420037930.db2.gz CGSJVWZNSHPYMO-YESZJQIVSA-N 2 3 309.498 1.903 20 0 DDADHP CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422861436 529143569 /nfs/dbraw/zinc/14/35/69/529143569.db2.gz MRDHPIGCSZNURT-GUDVDZBRSA-N 2 3 322.541 1.914 20 0 DDADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCCCN2)CC[NH2+]CC1 ZINC000902483585 710768075 /nfs/dbraw/zinc/76/80/75/710768075.db2.gz RXVOAOLWCWSXKE-HUUCEWRRSA-N 2 3 311.470 1.430 20 0 DDADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000923372176 714332090 /nfs/dbraw/zinc/33/20/90/714332090.db2.gz FBCHYGOTJKILBR-PVAVHDDUSA-N 2 3 305.466 1.314 20 0 DDADHP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000923372176 714332093 /nfs/dbraw/zinc/33/20/93/714332093.db2.gz FBCHYGOTJKILBR-PVAVHDDUSA-N 2 3 305.466 1.314 20 0 DDADHP N[C@H](CC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2)Cc1ccccc1 ZINC000925725275 714922177 /nfs/dbraw/zinc/92/21/77/714922177.db2.gz ILDYRIFAHQKKQP-CWQOZTLDSA-N 2 3 303.450 1.288 20 0 DDADHP C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925727892 714922922 /nfs/dbraw/zinc/92/29/22/714922922.db2.gz BMRXLSPDANXVKY-BZSNNMDCSA-N 2 3 321.509 1.903 20 0 DDADHP C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000925727892 714922925 /nfs/dbraw/zinc/92/29/25/714922925.db2.gz BMRXLSPDANXVKY-BZSNNMDCSA-N 2 3 321.509 1.903 20 0 DDADHP CN(C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273031554 847815160 /nfs/dbraw/zinc/81/51/60/847815160.db2.gz YPJUELFZMBXXBH-GOSISDBHSA-N 2 3 322.497 1.005 20 0 DDADHP CN(C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001273031554 847815165 /nfs/dbraw/zinc/81/51/65/847815165.db2.gz YPJUELFZMBXXBH-GOSISDBHSA-N 2 3 322.497 1.005 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001219980475 878629982 /nfs/dbraw/zinc/62/99/82/878629982.db2.gz IGKSYUKSUKSPQA-HOTGVXAUSA-N 2 3 312.502 1.330 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001219980475 878629994 /nfs/dbraw/zinc/62/99/94/878629994.db2.gz IGKSYUKSUKSPQA-HOTGVXAUSA-N 2 3 312.502 1.330 20 0 DDADHP CCOC(=O)C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246230059 892489772 /nfs/dbraw/zinc/48/97/72/892489772.db2.gz QVTQWEAMMDUMNE-QKPAOTATSA-N 2 3 309.454 1.180 20 0 DDADHP COC(=O)c1ccc(C[C@H](C)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001246455582 892637397 /nfs/dbraw/zinc/63/73/97/892637397.db2.gz GROYQUGZEUNYEF-HNNXBMFYSA-N 2 3 321.465 1.712 20 0 DDADHP CCCCOC(=O)CC[C@H](C)NCCC[NH2+]CCCC[NH3+] ZINC001246458049 892638265 /nfs/dbraw/zinc/63/82/65/892638265.db2.gz RKYYIUPOCBNFPK-HNNXBMFYSA-N 2 3 301.475 1.807 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH+]3CCC4(CC[NH2+]C4)CC3)C[C@H](C1)N2 ZINC001246643786 892764620 /nfs/dbraw/zinc/76/46/20/892764620.db2.gz URTMFKBZNDZRHA-IRHLINNNSA-N 2 3 321.465 1.134 20 0 DDADHP c1ccc(C[N@H+](C2CCNCC2)[C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246912464 892986627 /nfs/dbraw/zinc/98/66/27/892986627.db2.gz DYBLVAVIAPYOOU-SFHVURJKSA-N 2 3 314.477 1.335 20 0 DDADHP c1ccc(C[N@@H+](C2CCNCC2)[C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246912464 892986638 /nfs/dbraw/zinc/98/66/38/892986638.db2.gz DYBLVAVIAPYOOU-SFHVURJKSA-N 2 3 314.477 1.335 20 0 DDADHP CC(C)(C)[NH2+]C[C@@H](O)CNCC1CC[NH+](CC2CCC2)CC1 ZINC001253410956 895836390 /nfs/dbraw/zinc/83/63/90/895836390.db2.gz YLDRIQZMLACOFA-KRWDZBQOSA-N 2 3 311.514 1.837 20 0 DDADHP C[NH+](C)C1CCN(CCCCN2CCC([NH+](C)C)CC2)CC1 ZINC000127926097 539182580 /nfs/dbraw/zinc/18/25/80/539182580.db2.gz TVQSVBQJIXHKRV-UHFFFAOYSA-N 2 3 310.530 1.819 20 0 DDADHP [NH3+]C[C@H]1CCC[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423526504 420072176 /nfs/dbraw/zinc/07/21/76/420072176.db2.gz LLIPXQUVXXVWIA-QZTJIDSGSA-N 2 3 316.493 1.697 20 0 DDADHP CC[NH2+]CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420296911 420188479 /nfs/dbraw/zinc/18/84/79/420188479.db2.gz XOVSJUVRBVRXML-ROUUACIJSA-N 2 3 305.466 1.239 20 0 DDADHP CC[NH2+]CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420296911 420188481 /nfs/dbraw/zinc/18/84/81/420188481.db2.gz XOVSJUVRBVRXML-ROUUACIJSA-N 2 3 305.466 1.239 20 0 DDADHP C[C@@H]1CN(CC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420318305 420203775 /nfs/dbraw/zinc/20/37/75/420203775.db2.gz NXFMYLSHQLQPNF-BBWFWOEESA-N 2 3 309.498 1.807 20 0 DDADHP CC1([NH+]2CCCC2)CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000886510923 708770727 /nfs/dbraw/zinc/77/07/27/708770727.db2.gz DBJXUAIDJIKUEC-LXPRWKDFSA-N 2 3 309.498 1.830 20 0 DDADHP C[N@@H+]1CCC[C@H](N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000923325970 714315017 /nfs/dbraw/zinc/31/50/17/714315017.db2.gz DGYGQIMKERGAAQ-IPQPSQTFSA-N 2 3 320.525 1.619 20 0 DDADHP C[N@H+]1CCC[C@H](N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000923325970 714315021 /nfs/dbraw/zinc/31/50/21/714315021.db2.gz DGYGQIMKERGAAQ-IPQPSQTFSA-N 2 3 320.525 1.619 20 0 DDADHP C([C@H]1CC2(C[NH2+]C2)CO1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000923372174 714331421 /nfs/dbraw/zinc/33/14/21/714331421.db2.gz FBCHYGOTJKILBR-OIISXLGYSA-N 2 3 305.466 1.314 20 0 DDADHP C([C@H]1CC2(C[NH2+]C2)CO1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000923372174 714331424 /nfs/dbraw/zinc/33/14/24/714331424.db2.gz FBCHYGOTJKILBR-OIISXLGYSA-N 2 3 305.466 1.314 20 0 DDADHP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001221402887 879754889 /nfs/dbraw/zinc/75/48/89/879754889.db2.gz NHJNUJTWVCXORH-UYSNPLJNSA-N 2 3 322.497 1.097 20 0 DDADHP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001221402887 879754902 /nfs/dbraw/zinc/75/49/02/879754902.db2.gz NHJNUJTWVCXORH-UYSNPLJNSA-N 2 3 322.497 1.097 20 0 DDADHP CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CCCC[NH3+])CC2)C1 ZINC001235343037 888573116 /nfs/dbraw/zinc/57/31/16/888573116.db2.gz PXRYGTAFSCNLNG-HNNXBMFYSA-N 2 3 311.470 1.465 20 0 DDADHP CCOC(=O)[C@H]1CCC[N@H+](C2CCN(CCCC[NH3+])CC2)C1 ZINC001235343037 888573121 /nfs/dbraw/zinc/57/31/21/888573121.db2.gz PXRYGTAFSCNLNG-HNNXBMFYSA-N 2 3 311.470 1.465 20 0 DDADHP OC1(C[NH2+]C2(c3ccc(F)cc3)CCNCC2)CC[NH2+]CC1 ZINC001246001546 892321267 /nfs/dbraw/zinc/32/12/67/892321267.db2.gz SMCSEUKLYZVMNS-UHFFFAOYSA-N 2 3 307.413 1.109 20 0 DDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCOC[C@@]3(CCCNC3)C1)C2 ZINC001246644366 892763235 /nfs/dbraw/zinc/76/32/35/892763235.db2.gz GYGBRVLFGXJGRB-RCCFBDPRSA-N 2 3 307.482 1.611 20 0 DDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCOC[C@@]3(CCCNC3)C1)C2 ZINC001246644366 892763243 /nfs/dbraw/zinc/76/32/43/892763243.db2.gz GYGBRVLFGXJGRB-RCCFBDPRSA-N 2 3 307.482 1.611 20 0 DDADHP CC[C@@H]1C[C@@H](N2CCC[C@H](N3CC(C[NH3+])C3)C2)C[C@H](CC)[NH2+]1 ZINC001246876009 892963552 /nfs/dbraw/zinc/96/35/52/892963552.db2.gz XFBSHXRYXYHQMA-MHORFTMASA-N 2 3 308.514 1.651 20 0 DDADHP CN1CCC([N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)CC1 ZINC001246988762 893062404 /nfs/dbraw/zinc/06/24/04/893062404.db2.gz JDVWRWIQGANMEH-HWWDLCQESA-N 2 3 306.498 1.133 20 0 DDADHP CN1CCC([N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)CC1 ZINC001246988762 893062423 /nfs/dbraw/zinc/06/24/23/893062423.db2.gz JDVWRWIQGANMEH-HWWDLCQESA-N 2 3 306.498 1.133 20 0 DDADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCN2CC[NH2+]CC2)CC1 ZINC000414774840 296329075 /nfs/dbraw/zinc/32/90/75/296329075.db2.gz BVKQYRMSVXVDHR-MJGOQNOKSA-N 2 3 322.541 1.914 20 0 DDADHP CN1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000423516298 420069321 /nfs/dbraw/zinc/06/93/21/420069321.db2.gz WKQHSAXCDQHWQT-LKIAZTKLSA-N 2 3 320.525 1.665 20 0 DDADHP CN1CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000423516298 420069325 /nfs/dbraw/zinc/06/93/25/420069325.db2.gz WKQHSAXCDQHWQT-LKIAZTKLSA-N 2 3 320.525 1.665 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643512470 423184468 /nfs/dbraw/zinc/18/44/68/423184468.db2.gz LTNZDLCUAHTORE-OWIUFQIYSA-N 2 3 301.434 1.959 20 0 DDADHP C[C@H]1CC2(CN1Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC000903930009 711337401 /nfs/dbraw/zinc/33/74/01/711337401.db2.gz PZFLSAGOHSAENU-LSDHHAIUSA-N 2 3 318.469 1.167 20 0 DDADHP c1cc(N2CCC(CN[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc[nH+]1 ZINC000925615984 714900733 /nfs/dbraw/zinc/90/07/33/714900733.db2.gz PVSMZENKQYJTMV-JAQSECSASA-N 2 3 312.461 1.884 20 0 DDADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817540 714943086 /nfs/dbraw/zinc/94/30/86/714943086.db2.gz PYPTWJRRHGLRIH-MOPGFXCFSA-N 2 3 316.493 1.841 20 0 DDADHP C[NH+](C)CC[C@H](N[C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2)c1cccnc1 ZINC000925827088 714945018 /nfs/dbraw/zinc/94/50/18/714945018.db2.gz KWHYZVYJULQJQP-PNKHAZJDSA-N 2 3 318.465 1.416 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158093512 864423493 /nfs/dbraw/zinc/42/34/93/864423493.db2.gz WLVUYLJHWGAVKU-HNNXBMFYSA-N 2 3 310.486 1.212 20 0 DDADHP C[C@@H]1CCN(Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001205303656 871490735 /nfs/dbraw/zinc/49/07/35/871490735.db2.gz JCKDMAHEPUDKFM-NVXWUHKLSA-N 2 3 302.466 1.513 20 0 DDADHP O[C@]1(CNCC2(c3ccccc3Cl)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246010801 892329715 /nfs/dbraw/zinc/32/97/15/892329715.db2.gz OVUFLPSTHWZGIP-QGZVFWFLSA-N 2 3 323.868 1.275 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+]CC[C@H]3C)C[C@H](C1)N2 ZINC001246099363 892414752 /nfs/dbraw/zinc/41/47/52/892414752.db2.gz WVJQUFJWCKUUGX-KFAQONHGSA-N 2 3 309.454 1.036 20 0 DDADHP C1CC2(C1)C[C@H]([NH2+]C1CCN(C3CC[NH2+]CC3)CC1)CCN2 ZINC001246138775 892435713 /nfs/dbraw/zinc/43/57/13/892435713.db2.gz ORGWQZBYOYHYAR-MRXNPFEDSA-N 2 3 306.498 1.467 20 0 DDADHP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CCCNCCC[NH3+])CCN1 ZINC001246454921 892634810 /nfs/dbraw/zinc/63/48/10/892634810.db2.gz VGUSUCOMZZBDPW-AEFFLSMTSA-N 2 3 322.472 1.845 20 0 DDADHP [NH3+]C[C@@]1(O)CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001246539045 892682699 /nfs/dbraw/zinc/68/26/99/892682699.db2.gz AOYINPNCGODEES-UJJTZGENSA-N 2 3 307.482 1.568 20 0 DDADHP [NH3+]C[C@@]1(O)CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001246539045 892682706 /nfs/dbraw/zinc/68/27/06/892682706.db2.gz AOYINPNCGODEES-UJJTZGENSA-N 2 3 307.482 1.568 20 0 DDADHP CCOC(=O)[C@@H]1CN([C@H]2CC[NH2+][C@@H](C(C)C)C2)CCC12C[NH2+]C2 ZINC001247006286 893074426 /nfs/dbraw/zinc/07/44/26/893074426.db2.gz IDMFAUHMOALZCS-HRCADAONSA-N 2 3 323.481 1.238 20 0 DDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422744211 227151417 /nfs/dbraw/zinc/15/14/17/227151417.db2.gz SPCAQGUFCOBMAG-HUUCEWRRSA-N 2 3 305.466 1.859 20 0 DDADHP CC1(C(=O)N2CC([NH3+])C(c3ccccc3F)C2)CCCC[NH2+]1 ZINC000424030428 228221653 /nfs/dbraw/zinc/22/16/53/228221653.db2.gz QUIZIRLREGWKAG-YSVLISHTSA-N 2 3 305.397 1.611 20 0 DDADHP C[C@H]([NH3+])C[C@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423533658 420074553 /nfs/dbraw/zinc/07/45/53/420074553.db2.gz YDDFRBJEZYYPJN-HOTGVXAUSA-N 2 3 304.482 1.695 20 0 DDADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1CC12CC[NH2+]CC2 ZINC000643535350 423192649 /nfs/dbraw/zinc/19/26/49/423192649.db2.gz CEDPQHYOHLVGHJ-SZVBFZGTSA-N 2 3 313.445 1.974 20 0 DDADHP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662260950 424523769 /nfs/dbraw/zinc/52/37/69/424523769.db2.gz RWZHFCYSLUFCOK-QGZVFWFLSA-N 2 3 309.498 1.951 20 0 DDADHP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662260950 424523774 /nfs/dbraw/zinc/52/37/74/424523774.db2.gz RWZHFCYSLUFCOK-QGZVFWFLSA-N 2 3 309.498 1.951 20 0 DDADHP C[C@@H](CN(C)CCC[NH+](C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000658109262 424592784 /nfs/dbraw/zinc/59/27/84/424592784.db2.gz SRWRAXBNFHJPAY-INIZCTEOSA-N 2 3 310.530 1.722 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000665289191 424775607 /nfs/dbraw/zinc/77/56/07/424775607.db2.gz INRRAVNJNLDFOX-GOEBONIOSA-N 2 3 310.486 1.097 20 0 DDADHP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000583028610 337230810 /nfs/dbraw/zinc/23/08/10/337230810.db2.gz SIVWRJFEQBCAKL-KZNAEPCWSA-N 2 3 308.514 1.476 20 0 DDADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000903918419 711331349 /nfs/dbraw/zinc/33/13/49/711331349.db2.gz ZHVOXTJZBMVAOU-ARFHVFGLSA-N 2 3 318.469 1.024 20 0 DDADHP CN(C)CCN(C(=O)C[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161444127 736806951 /nfs/dbraw/zinc/80/69/51/736806951.db2.gz CDXBPBYKSQZEQH-BZUAXINKSA-N 2 3 310.486 1.036 20 0 DDADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C[C@H]2C1 ZINC001161175250 866424009 /nfs/dbraw/zinc/42/40/09/866424009.db2.gz JNEUIZJPQKKRIH-BBWFWOEESA-N 2 3 324.513 1.282 20 0 DDADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C[C@H]2C1 ZINC001161175250 866424014 /nfs/dbraw/zinc/42/40/14/866424014.db2.gz JNEUIZJPQKKRIH-BBWFWOEESA-N 2 3 324.513 1.282 20 0 DDADHP CN(C)CCN(C(=O)C1(C)CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161443498 866671304 /nfs/dbraw/zinc/67/13/04/866671304.db2.gz WJRFZSJHJJYVED-ISXOHVOVSA-N 2 3 310.486 1.036 20 0 DDADHP CC(C)[C@]1(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC001161446174 866671622 /nfs/dbraw/zinc/67/16/22/866671622.db2.gz QVWOFXTWEFUTIZ-AEFFLSMTSA-N 2 3 324.513 1.154 20 0 DDADHP CC(C)(C[NH3+])c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218897778 877792513 /nfs/dbraw/zinc/79/25/13/877792513.db2.gz IALTUMJQBZZDTO-RDTXWAMCSA-N 2 3 316.449 1.061 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816143 878526864 /nfs/dbraw/zinc/52/68/64/878526864.db2.gz BGAPSBGTWTZQEE-BBWFWOEESA-N 2 3 318.465 1.265 20 0 DDADHP CCN(Cc1cccc(N2CC[NH2+]CC2)c1)C1CC[NH2+]CC1 ZINC001235762970 888935003 /nfs/dbraw/zinc/93/50/03/888935003.db2.gz YCBLWTCLNPSOKX-UHFFFAOYSA-N 2 3 302.466 1.670 20 0 DDADHP C[C@@H]1CC([NH2+]CC2(c3cccnc3)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246421585 892617185 /nfs/dbraw/zinc/61/71/85/892617185.db2.gz DVDMNDQQHQQCAK-HUUCEWRRSA-N 2 3 302.466 1.821 20 0 DDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1CCOC[C@@]3(CCCNC3)C1)C2 ZINC001246644365 892763362 /nfs/dbraw/zinc/76/33/62/892763362.db2.gz GYGBRVLFGXJGRB-OKZBNKHCSA-N 2 3 307.482 1.611 20 0 DDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCOC[C@@]3(CCCNC3)C1)C2 ZINC001246644365 892763366 /nfs/dbraw/zinc/76/33/66/892763366.db2.gz GYGBRVLFGXJGRB-OKZBNKHCSA-N 2 3 307.482 1.611 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCNC(C)(C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246684968 892784104 /nfs/dbraw/zinc/78/41/04/892784104.db2.gz YXBLVOXEEHRMKN-MPGHIAIKSA-N 2 3 323.481 1.382 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCNC(C)(C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246684968 892784117 /nfs/dbraw/zinc/78/41/17/892784117.db2.gz YXBLVOXEEHRMKN-MPGHIAIKSA-N 2 3 323.481 1.382 20 0 DDADHP C([C@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246932098 892998445 /nfs/dbraw/zinc/99/84/45/892998445.db2.gz DPQRQCQCHMTLCE-DOTOQJQBSA-N 2 3 307.482 1.752 20 0 DDADHP C([C@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246932098 892998451 /nfs/dbraw/zinc/99/84/51/892998451.db2.gz DPQRQCQCHMTLCE-DOTOQJQBSA-N 2 3 307.482 1.752 20 0 DDADHP C([C@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246934536 892998699 /nfs/dbraw/zinc/99/86/99/892998699.db2.gz NXHYXIHTZVUYNG-DOTOQJQBSA-N 2 3 306.498 1.325 20 0 DDADHP C([C@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246934536 892998702 /nfs/dbraw/zinc/99/87/02/892998702.db2.gz NXHYXIHTZVUYNG-DOTOQJQBSA-N 2 3 306.498 1.325 20 0 DDADHP COC[C@@H](CCC[NH3+])[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422986131 227298593 /nfs/dbraw/zinc/29/85/93/227298593.db2.gz GJRHZFQGLSFDRE-MRXNPFEDSA-N 2 3 306.454 1.642 20 0 DDADHP C(CC1CCN(CCN2CC[NH2+]CC2)CC1)C[NH+]1CCCC1 ZINC000420363599 420238115 /nfs/dbraw/zinc/23/81/15/420238115.db2.gz PNLBHCZJDIZRHZ-UHFFFAOYSA-N 2 3 308.514 1.480 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000663505329 423901879 /nfs/dbraw/zinc/90/18/79/423901879.db2.gz HRKSVBOYNCHTBL-HOCLYGCPSA-N 2 3 310.486 1.097 20 0 DDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233517 424762686 /nfs/dbraw/zinc/76/26/86/424762686.db2.gz JRLPIYPRPHFOTC-QAPCUYQASA-N 2 3 309.498 1.855 20 0 DDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cc(C2CC[NH2+]CC2)no1 ZINC000576938133 308350621 /nfs/dbraw/zinc/35/06/21/308350621.db2.gz RTUJCKLUTAIHKN-HFZWIWRYSA-N 2 3 304.438 1.747 20 0 DDADHP C[C@@H]1CCNC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422851960 534084806 /nfs/dbraw/zinc/08/48/06/534084806.db2.gz XNZMMBGUBOKTII-AEFFLSMTSA-N 2 3 317.481 1.181 20 0 DDADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000925608638 714898801 /nfs/dbraw/zinc/89/88/01/714898801.db2.gz GMAAQJLGVQFKQU-QZWWFDLISA-N 2 3 309.498 1.590 20 0 DDADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925608638 714898803 /nfs/dbraw/zinc/89/88/03/714898803.db2.gz GMAAQJLGVQFKQU-QZWWFDLISA-N 2 3 309.498 1.590 20 0 DDADHP CN(C)c1cc[nH+]c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c1 ZINC001158580986 864744607 /nfs/dbraw/zinc/74/46/07/864744607.db2.gz LWNILWYCGLLNBN-UHFFFAOYSA-N 2 3 317.481 1.800 20 0 DDADHP c1c(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235938919 889021113 /nfs/dbraw/zinc/02/11/13/889021113.db2.gz MTULIZFOMQIJAM-HZPDHXFCSA-N 2 3 310.445 1.786 20 0 DDADHP [NH3+]CC1CN([C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC001236077903 889097496 /nfs/dbraw/zinc/09/74/96/889097496.db2.gz DOGNOSKPKXAYSJ-GOSISDBHSA-N 2 3 300.450 1.145 20 0 DDADHP O[C@]1(C[NH2+][C@@H]2CC3(CC[NH2+]CC3)c3ccccc32)CCCNC1 ZINC001245997725 892316484 /nfs/dbraw/zinc/31/64/84/892316484.db2.gz VKENCACSGCFTFF-IEBWSBKVSA-N 2 3 315.461 1.457 20 0 DDADHP O[C@@]1(C[NH2+][C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CCCNC1 ZINC001246004517 892324187 /nfs/dbraw/zinc/32/41/87/892324187.db2.gz ZJYLYLMORYRCTD-ROUUACIJSA-N 2 3 321.440 1.571 20 0 DDADHP CCOC(=O)C[C@H](N[C@H]1CC[NH2+][C@@H](CC)C1)C1CC[NH2+]CC1 ZINC001246224873 892487497 /nfs/dbraw/zinc/48/74/97/892487497.db2.gz CCWLRSCPVSPPOL-JYJNAYRXSA-N 2 3 311.470 1.428 20 0 DDADHP COC(=O)CC1([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCNCC1 ZINC001246366101 892574307 /nfs/dbraw/zinc/57/43/07/892574307.db2.gz QJFWUUFNHVRBBI-UHFFFAOYSA-N 2 3 323.481 1.574 20 0 DDADHP C[C@@H]1CC(NCC2(c3ccccn3)CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC001246426654 892618970 /nfs/dbraw/zinc/61/89/70/892618970.db2.gz IOJFYKVQWKLTLO-HUUCEWRRSA-N 2 3 302.466 1.821 20 0 DDADHP c1ccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)nc1 ZINC001246425348 892619641 /nfs/dbraw/zinc/61/96/41/892619641.db2.gz AKLVCDJTMUQRAT-BJWYYQGGSA-N 2 3 314.477 1.966 20 0 DDADHP c1ccc(C2(CN[C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)nc1 ZINC001246425348 892619648 /nfs/dbraw/zinc/61/96/48/892619648.db2.gz AKLVCDJTMUQRAT-BJWYYQGGSA-N 2 3 314.477 1.966 20 0 DDADHP CC[NH+](CC)C[C@@H](O)CNCC1CC[NH+](CC2CCC2)CC1 ZINC001253211320 895731096 /nfs/dbraw/zinc/73/10/96/895731096.db2.gz DSEMIUCGFJZXBA-SFHVURJKSA-N 2 3 311.514 1.791 20 0 DDADHP C[NH+]1CCC(CN2CCN([C@H]3CCC[N@H+](C)CC3)CC2)CC1 ZINC001254532389 896489072 /nfs/dbraw/zinc/48/90/72/896489072.db2.gz RZPIHHNTUPJLCE-SFHVURJKSA-N 2 3 308.514 1.430 20 0 DDADHP C[NH+]1CCC(CN2CCN([C@H]3CCC[N@@H+](C)CC3)CC2)CC1 ZINC001254532389 896489077 /nfs/dbraw/zinc/48/90/77/896489077.db2.gz RZPIHHNTUPJLCE-SFHVURJKSA-N 2 3 308.514 1.430 20 0 DDADHP CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422861439 279356460 /nfs/dbraw/zinc/35/64/60/279356460.db2.gz MRDHPIGCSZNURT-QRVBRYPASA-N 2 3 322.541 1.914 20 0 DDADHP C[C@@H]1CN(CC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420318311 296994360 /nfs/dbraw/zinc/99/43/60/296994360.db2.gz NXFMYLSHQLQPNF-BRWVUGGUSA-N 2 3 309.498 1.807 20 0 DDADHP [NH3+][C@@H]1CCC[C@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000576838359 308343957 /nfs/dbraw/zinc/34/39/57/308343957.db2.gz QIDCIZDCOMLHBZ-MSOLQXFVSA-N 2 3 316.493 1.839 20 0 DDADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903918420 711331447 /nfs/dbraw/zinc/33/14/47/711331447.db2.gz ZHVOXTJZBMVAOU-BZUAXINKSA-N 2 3 318.469 1.024 20 0 DDADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001161084833 866362975 /nfs/dbraw/zinc/36/29/75/866362975.db2.gz JIBFLDMRMGYAEM-PMPSAXMXSA-N 2 3 310.486 1.035 20 0 DDADHP CN1CCC(N(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2CCCC2)CC1 ZINC001161453575 866675933 /nfs/dbraw/zinc/67/59/33/866675933.db2.gz JOBUHNOBVZCZLP-HNNXBMFYSA-N 2 3 324.513 1.698 20 0 DDADHP c1n[nH]cc1CN1CC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]2CC1 ZINC001276713841 876440155 /nfs/dbraw/zinc/44/01/55/876440155.db2.gz NHTQGTAUMNBFPG-HDICACEKSA-N 2 3 317.481 1.553 20 0 DDADHP c1n[nH]cc1CN1CC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]2CC1 ZINC001276713841 876440166 /nfs/dbraw/zinc/44/01/66/876440166.db2.gz NHTQGTAUMNBFPG-HDICACEKSA-N 2 3 317.481 1.553 20 0 DDADHP N[C@@H](CCC[NH3+])C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220259213 878860284 /nfs/dbraw/zinc/86/02/84/878860284.db2.gz YUJXGKPVEPKYON-INIZCTEOSA-N 2 3 310.486 1.214 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538534 879086569 /nfs/dbraw/zinc/08/65/69/879086569.db2.gz SFFOZXZRPHKXBG-KUNBBXKYSA-N 2 3 322.497 1.199 20 0 DDADHP N[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)C1CC[NH2+]CC1 ZINC001220917409 879377580 /nfs/dbraw/zinc/37/75/80/879377580.db2.gz YXSIPESKPKHLTD-DLBZAZTESA-N 2 3 322.497 1.084 20 0 DDADHP N[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)C1CC[NH2+]CC1 ZINC001220917409 879377596 /nfs/dbraw/zinc/37/75/96/879377596.db2.gz YXSIPESKPKHLTD-DLBZAZTESA-N 2 3 322.497 1.084 20 0 DDADHP [NH3+]C1([C@H]2CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@H]2CF)CC1 ZINC001235396021 888614441 /nfs/dbraw/zinc/61/44/41/888614441.db2.gz HTCUHMWKEGINAT-OCCSQVGLSA-N 2 3 309.454 1.903 20 0 DDADHP [NH3+]C1CCN([C@H]2CCN(Cc3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC001236621133 889277311 /nfs/dbraw/zinc/27/73/11/889277311.db2.gz HMGNDDVCKWTNQH-SFHVURJKSA-N 2 3 300.450 1.287 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]CCCN3CC[NH2+]CC3)CCN2)cc1 ZINC001246115220 892421302 /nfs/dbraw/zinc/42/13/02/892421302.db2.gz QZZJISOLNQLFPY-RBUKOAKNSA-N 2 3 316.493 1.235 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246150049 892444052 /nfs/dbraw/zinc/44/40/52/892444052.db2.gz VFBBRBYZLSOORA-JYJNAYRXSA-N 2 3 308.514 1.617 20 0 DDADHP [NH3+]CCCNCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC001246451154 892634640 /nfs/dbraw/zinc/63/46/40/892634640.db2.gz FTLUFGFONPGYCH-UHFFFAOYSA-N 2 3 318.509 1.612 20 0 DDADHP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246477269 892647542 /nfs/dbraw/zinc/64/75/42/892647542.db2.gz NICYSAAKVDJPNB-MHORFTMASA-N 2 3 305.441 1.887 20 0 DDADHP CN1CCC[C@@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC1 ZINC001254508400 896468176 /nfs/dbraw/zinc/46/81/76/896468176.db2.gz QSGCVVBUAVXEKB-KGLIPLIRSA-N 2 3 314.474 1.650 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)CC[NH2+]CC1 ZINC000423211852 285665170 /nfs/dbraw/zinc/66/51/70/285665170.db2.gz HLEJZWHUAUFQKG-KKUMJFAQSA-N 2 3 311.470 1.286 20 0 DDADHP CC[NH+](C)C[C@@H]1CCN(CCN2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000173887120 162373184 /nfs/dbraw/zinc/37/31/84/162373184.db2.gz ZFMZMLFZWIQMDI-HDICACEKSA-N 2 3 310.530 1.534 20 0 DDADHP CC[NH+](C)C[C@@H]1CCN(CCN2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000173887120 162373187 /nfs/dbraw/zinc/37/31/87/162373187.db2.gz ZFMZMLFZWIQMDI-HDICACEKSA-N 2 3 310.530 1.534 20 0 DDADHP CC[NH+](C)C[C@H]1CCN(CCN2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000173887120 162373188 /nfs/dbraw/zinc/37/31/88/162373188.db2.gz ZFMZMLFZWIQMDI-HDICACEKSA-N 2 3 310.530 1.534 20 0 DDADHP CC[NH+](C)C[C@H]1CCN(CCN2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000173887120 162373191 /nfs/dbraw/zinc/37/31/91/162373191.db2.gz ZFMZMLFZWIQMDI-HDICACEKSA-N 2 3 310.530 1.534 20 0 DDADHP CN(CC[C@H]1CCCC[N@@H+]1C)CCN(C)C1CC[NH+](C)CC1 ZINC000341000744 410878473 /nfs/dbraw/zinc/87/84/73/410878473.db2.gz ZZYHKTPGQMHKKR-QGZVFWFLSA-N 2 3 310.530 1.819 20 0 DDADHP CN(CC[C@H]1CCCC[N@H+]1C)CCN(C)C1CC[NH+](C)CC1 ZINC000341000744 410878478 /nfs/dbraw/zinc/87/84/78/410878478.db2.gz ZZYHKTPGQMHKKR-QGZVFWFLSA-N 2 3 310.530 1.819 20 0 DDADHP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)NCCN(C)C ZINC000647793906 423050261 /nfs/dbraw/zinc/05/02/61/423050261.db2.gz LQVUPETXUCRNKL-NXOAAHMSSA-N 2 3 324.513 1.057 20 0 DDADHP CC[NH+]1CCC(N2CCCN(CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000420984080 419414682 /nfs/dbraw/zinc/41/46/82/419414682.db2.gz SEEOJLBJTJDSEM-SFHVURJKSA-N 2 3 322.541 1.963 20 0 DDADHP CC[NH+]1CCC(N2CCCN(CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000420984080 419414690 /nfs/dbraw/zinc/41/46/90/419414690.db2.gz SEEOJLBJTJDSEM-SFHVURJKSA-N 2 3 322.541 1.963 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423526506 420073040 /nfs/dbraw/zinc/07/30/40/420073040.db2.gz LLIPXQUVXXVWIA-ZWKOTPCHSA-N 2 3 316.493 1.697 20 0 DDADHP [NH3+]CCCOCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629534769 422716016 /nfs/dbraw/zinc/71/60/16/422716016.db2.gz AYZIPHCNZKMVFW-NVXWUHKLSA-N 2 3 305.422 1.197 20 0 DDADHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@H]1CC[NH2+]C1 ZINC000649414592 423888021 /nfs/dbraw/zinc/88/80/21/423888021.db2.gz KANRWYUTTZFIGW-SFHVURJKSA-N 2 3 322.541 1.724 20 0 DDADHP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662260948 424522698 /nfs/dbraw/zinc/52/26/98/424522698.db2.gz RWZHFCYSLUFCOK-KRWDZBQOSA-N 2 3 309.498 1.951 20 0 DDADHP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662260948 424522703 /nfs/dbraw/zinc/52/27/03/424522703.db2.gz RWZHFCYSLUFCOK-KRWDZBQOSA-N 2 3 309.498 1.951 20 0 DDADHP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000665240495 424765427 /nfs/dbraw/zinc/76/54/27/424765427.db2.gz MAWAYDDSNGTQED-ROUUACIJSA-N 2 3 321.465 1.097 20 0 DDADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](N)CCC(C)(C)C)C2 ZINC000904389242 711850890 /nfs/dbraw/zinc/85/08/90/711850890.db2.gz VFVAHDAJYUSNHM-ZJOBFFGXSA-N 2 3 311.470 1.352 20 0 DDADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](N)CCC(C)(C)C)C2 ZINC000904389242 711850891 /nfs/dbraw/zinc/85/08/91/711850891.db2.gz VFVAHDAJYUSNHM-ZJOBFFGXSA-N 2 3 311.470 1.352 20 0 DDADHP C[C@@H]1NCCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000925545497 714884864 /nfs/dbraw/zinc/88/48/64/714884864.db2.gz GLXBVINQAGGSBX-FUHWJXTLSA-N 2 3 317.481 1.324 20 0 DDADHP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157578913 863942679 /nfs/dbraw/zinc/94/26/79/863942679.db2.gz GNDXOQIDABBZQY-KRWDZBQOSA-N 2 3 324.513 1.557 20 0 DDADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001161160928 866416842 /nfs/dbraw/zinc/41/68/42/866416842.db2.gz KNIMPRPNGHTNBG-KRWDZBQOSA-N 2 3 320.481 1.294 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218936899 877819517 /nfs/dbraw/zinc/81/95/17/877819517.db2.gz GNHJGTULBUSHPV-KRWDZBQOSA-N 2 3 318.465 1.373 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220167231 878770200 /nfs/dbraw/zinc/77/02/00/878770200.db2.gz LXAMDGXYAYNXMW-BQFCYCMXSA-N 2 3 324.513 1.521 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220781034 879252908 /nfs/dbraw/zinc/25/29/08/879252908.db2.gz SBKMICQJBXKPKW-UAGQMJEPSA-N 2 3 310.486 1.402 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC2(C1)CCC[NH2+]C2 ZINC001246012883 892331037 /nfs/dbraw/zinc/33/10/37/892331037.db2.gz CIECYOJXXCPIRG-JDEYZFBPSA-N 2 3 303.450 1.039 20 0 DDADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246133115 892427129 /nfs/dbraw/zinc/42/71/29/892427129.db2.gz OEAQHODLIBEVPC-CVEARBPZSA-N 2 3 307.482 1.942 20 0 DDADHP Cc1cc(F)ccc1[C@@H]1C[C@H](NCCO[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC001246368631 892576395 /nfs/dbraw/zinc/57/63/95/892576395.db2.gz ONPDVBTXJFAZTL-NUJGCVRESA-N 2 3 321.440 1.895 20 0 DDADHP C[C@@H]1C[C@@H](NCCNCC[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246405451 892607861 /nfs/dbraw/zinc/60/78/61/892607861.db2.gz PFLDPRKLSCRIJV-ALXJQNPVSA-N 2 3 304.482 1.566 20 0 DDADHP C[C@@H]1C[C@@H](NCCNCC[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246405451 892607875 /nfs/dbraw/zinc/60/78/75/892607875.db2.gz PFLDPRKLSCRIJV-ALXJQNPVSA-N 2 3 304.482 1.566 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246616292 892739533 /nfs/dbraw/zinc/73/95/33/892739533.db2.gz VHVZBERFOJYTDV-CVEARBPZSA-N 2 3 309.498 1.855 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3C[C@@H](C)N[C@@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246685049 892783650 /nfs/dbraw/zinc/78/36/50/892783650.db2.gz ZWOMZACVQZVKQP-IWSXDTNSSA-N 2 3 323.481 1.380 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+]([C@@H]3C[C@@H](C)N[C@@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246685049 892783656 /nfs/dbraw/zinc/78/36/56/892783656.db2.gz ZWOMZACVQZVKQP-IWSXDTNSSA-N 2 3 323.481 1.380 20 0 DDADHP CC[C@@H]1CC(N2CCC[C@H](N3CC(C[NH3+])C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246876013 892964683 /nfs/dbraw/zinc/96/46/83/892964683.db2.gz XFBSHXRYXYHQMA-ZACQAIPSSA-N 2 3 308.514 1.651 20 0 DDADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246934543 892998598 /nfs/dbraw/zinc/99/85/98/892998598.db2.gz NXHYXIHTZVUYNG-WBVHZDCISA-N 2 3 306.498 1.325 20 0 DDADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246934543 892998601 /nfs/dbraw/zinc/99/86/01/892998601.db2.gz NXHYXIHTZVUYNG-WBVHZDCISA-N 2 3 306.498 1.325 20 0 DDADHP [NH3+][C@@H]1CCN(C2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)C1 ZINC001246967206 893029843 /nfs/dbraw/zinc/02/98/43/893029843.db2.gz LXKGTLBCLGZDNM-SJLPKXTDSA-N 2 3 320.525 1.939 20 0 DDADHP C[NH2+]C1CCC([N@H+](C2CCNCC2)C2CCN(C)CC2)CC1 ZINC001246987004 893056010 /nfs/dbraw/zinc/05/60/10/893056010.db2.gz CGDROZRVXWODTG-UHFFFAOYSA-N 2 3 308.514 1.665 20 0 DDADHP C[NH2+]C1CCC([N@@H+](C2CCNCC2)C2CCN(C)CC2)CC1 ZINC001246987004 893056030 /nfs/dbraw/zinc/05/60/30/893056030.db2.gz CGDROZRVXWODTG-UHFFFAOYSA-N 2 3 308.514 1.665 20 0 DDADHP COc1ccc([C@@H](C[NH3+])CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000420283017 420181688 /nfs/dbraw/zinc/18/16/88/420181688.db2.gz BOLBDEFLLVZZEH-INIZCTEOSA-N 2 3 321.465 1.567 20 0 DDADHP COc1ccc([C@@H](CN)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000420283017 420181692 /nfs/dbraw/zinc/18/16/92/420181692.db2.gz BOLBDEFLLVZZEH-INIZCTEOSA-N 2 3 321.465 1.567 20 0 DDADHP CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422866881 529145035 /nfs/dbraw/zinc/14/50/35/529145035.db2.gz RBGIABHFXMEOGL-CEXWTWQISA-N 2 3 322.541 1.914 20 0 DDADHP c1cc(N2CC[NH2+]CC2)oc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000904350426 711845388 /nfs/dbraw/zinc/84/53/88/711845388.db2.gz LFQCHSXZPNIGJH-MRXNPFEDSA-N 2 3 318.465 1.511 20 0 DDADHP C[NH+]1CCC(N2CC[C@H](N[C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)CC1 ZINC000925482827 714870730 /nfs/dbraw/zinc/87/07/30/714870730.db2.gz OEVLFIAIZKBVSG-XOYOTBSWSA-N 2 3 320.525 1.521 20 0 DDADHP O=C1O[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC12CC[NH2+]CC2 ZINC000925849589 714950266 /nfs/dbraw/zinc/95/02/66/714950266.db2.gz QDESLPIJBCUFHE-XUWVNRHRSA-N 2 3 321.465 1.182 20 0 DDADHP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206163888 776742258 /nfs/dbraw/zinc/74/22/58/776742258.db2.gz HCYNFGWYOKFOQV-DLBZAZTESA-N 2 3 309.429 1.888 20 0 DDADHP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206163888 776742263 /nfs/dbraw/zinc/74/22/63/776742263.db2.gz HCYNFGWYOKFOQV-DLBZAZTESA-N 2 3 309.429 1.888 20 0 DDADHP CN(C)CCN(C(=O)CCCCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161446220 866672234 /nfs/dbraw/zinc/67/22/34/866672234.db2.gz RDZUZFJOICHYSL-MRXNPFEDSA-N 2 3 312.502 1.428 20 0 DDADHP CN(C)CC1(C[N@H+]2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)CCCC1 ZINC001276478289 871315332 /nfs/dbraw/zinc/31/53/32/871315332.db2.gz SUXPYVJRODHCRI-HDICACEKSA-N 2 3 322.541 1.819 20 0 DDADHP CN(C)CC1(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)CCCC1 ZINC001276478289 871315353 /nfs/dbraw/zinc/31/53/53/871315353.db2.gz SUXPYVJRODHCRI-HDICACEKSA-N 2 3 322.541 1.819 20 0 DDADHP C[C@H]1[C@H](C[NH3+])CCCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001205903341 871912147 /nfs/dbraw/zinc/91/21/47/871912147.db2.gz OTUCFGWAPVOMQV-LPHOPBHVSA-N 2 3 316.493 1.651 20 0 DDADHP [NH3+]Cc1ccc(CCNC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246019142 892340163 /nfs/dbraw/zinc/34/01/63/892340163.db2.gz OQIPZODNXXBAHK-RBUKOAKNSA-N 2 3 313.445 1.208 20 0 DDADHP CCOC(=O)C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246230056 892489340 /nfs/dbraw/zinc/48/93/40/892489340.db2.gz QVTQWEAMMDUMNE-FXUDXRNXSA-N 2 3 309.454 1.180 20 0 DDADHP C[NH2+]C1CCC([NH2+]C2(Cc3cccnc3)CCNCC2)CC1 ZINC001246419139 892614187 /nfs/dbraw/zinc/61/41/87/892614187.db2.gz FKBQJXSSDYEZDB-UHFFFAOYSA-N 2 3 302.466 1.867 20 0 DDADHP C1C[C@@H]2C[C@H](N3CCC(OC4CC[NH2+]CC4)CC3)C[C@H](C1)[NH2+]2 ZINC001246659431 892774138 /nfs/dbraw/zinc/77/41/38/892774138.db2.gz GEECIHVVNGAEET-ZSHCYNCHSA-N 2 3 307.482 1.893 20 0 DDADHP C1C[C@@H]2C[C@H]([NH+]3CCC(OC4CC[NH2+]CC4)CC3)C[C@H](C1)N2 ZINC001246659431 892774149 /nfs/dbraw/zinc/77/41/49/892774149.db2.gz GEECIHVVNGAEET-ZSHCYNCHSA-N 2 3 307.482 1.893 20 0 DDADHP [NH3+]CC1CN([C@H]2CCCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246871908 892960332 /nfs/dbraw/zinc/96/03/32/892960332.db2.gz ORWXGMFRTRBIIX-ROUUACIJSA-N 2 3 320.525 1.796 20 0 DDADHP CCOC(=O)[C@@H]1CN([C@H]2CC[NH2+][C@H](C(C)C)C2)CCC12C[NH2+]C2 ZINC001247006287 893074757 /nfs/dbraw/zinc/07/47/57/893074757.db2.gz IDMFAUHMOALZCS-JYJNAYRXSA-N 2 3 323.481 1.238 20 0 DDADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422861337 286443199 /nfs/dbraw/zinc/44/31/99/286443199.db2.gz JDBXSJTULZQDAU-CZUORRHYSA-N 2 3 308.470 1.856 20 0 DDADHP COC[C@@H](CCC[NH3+])[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240028 424763339 /nfs/dbraw/zinc/76/33/39/424763339.db2.gz AYWURIZJHCPAEC-GOSISDBHSA-N 2 3 320.481 1.637 20 0 DDADHP CCN1CCN(C[C@H](C)C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925493718 714872978 /nfs/dbraw/zinc/87/29/78/714872978.db2.gz YVWVJAUCCOBFOO-IKGGRYGDSA-N 2 3 310.530 1.756 20 0 DDADHP CN(C)CC[N@H+]1CC[C@H]2C[NH+](C[C@H]3CCCN(C)C3)C[C@H]2CC1 ZINC001276497990 872646077 /nfs/dbraw/zinc/64/60/77/872646077.db2.gz RHVSFACFYWNCNI-GBESFXJTSA-N 2 3 322.541 1.534 20 0 DDADHP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](C[C@H]3CCCN(C)C3)C[C@H]2CC1 ZINC001276497990 872646082 /nfs/dbraw/zinc/64/60/82/872646082.db2.gz RHVSFACFYWNCNI-GBESFXJTSA-N 2 3 322.541 1.534 20 0 DDADHP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](C[C@H]3CCCN(C)C3)C[C@H]2CC1 ZINC001276497990 872646086 /nfs/dbraw/zinc/64/60/86/872646086.db2.gz RHVSFACFYWNCNI-GBESFXJTSA-N 2 3 322.541 1.534 20 0 DDADHP CN(C)CC[NH+]1CC[C@H]2C[N@H+](C[C@H]3CCCN(C)C3)C[C@H]2CC1 ZINC001276497990 872646092 /nfs/dbraw/zinc/64/60/92/872646092.db2.gz RHVSFACFYWNCNI-GBESFXJTSA-N 2 3 322.541 1.534 20 0 DDADHP CN1CCC[C@H](C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)C1 ZINC001276497990 872646098 /nfs/dbraw/zinc/64/60/98/872646098.db2.gz RHVSFACFYWNCNI-GBESFXJTSA-N 2 3 322.541 1.534 20 0 DDADHP CN1CCC[C@H](C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)C1 ZINC001276497990 872646104 /nfs/dbraw/zinc/64/61/04/872646104.db2.gz RHVSFACFYWNCNI-GBESFXJTSA-N 2 3 322.541 1.534 20 0 DDADHP C(C1CC2(C1)CC[NH2+]CC2)N1CCN(C2CC[NH2+]CC2)CC1 ZINC001235698523 888895647 /nfs/dbraw/zinc/89/56/47/888895647.db2.gz IQOOITCODADMJR-UHFFFAOYSA-N 2 3 306.498 1.136 20 0 DDADHP CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C)([NH+]4CCOCC4)CC3)[C@H]2C1 ZINC001365618783 891172923 /nfs/dbraw/zinc/17/29/23/891172923.db2.gz ODAURACLGUGJRE-RFFAXONSSA-N 2 3 321.509 1.950 20 0 DDADHP O[C@]1(CNCC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246003110 892323578 /nfs/dbraw/zinc/32/35/78/892323578.db2.gz CMKOLGXYVZPCED-GOSISDBHSA-N 2 3 321.440 1.052 20 0 DDADHP Cc1cccc(CN(C[C@]2(O)CC[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246064482 892398479 /nfs/dbraw/zinc/39/84/79/892398479.db2.gz DSBFCQFHFUMXOY-FHWLQOOXSA-N 2 3 317.477 1.791 20 0 DDADHP CC[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246139534 892435053 /nfs/dbraw/zinc/43/50/53/892435053.db2.gz DGWAHCSCBGPPDQ-YYIAUSFCSA-N 2 3 308.514 1.759 20 0 DDADHP [NH3+]CC1(c2ccccc2)CC[NH+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246586476 892714425 /nfs/dbraw/zinc/71/44/25/892714425.db2.gz AVIJKIVPSQLJAK-KRWDZBQOSA-N 2 3 315.461 1.500 20 0 DDADHP C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246993522 893064826 /nfs/dbraw/zinc/06/48/26/893064826.db2.gz NWQUESGTCDPKDT-GOSISDBHSA-N 2 3 320.525 1.809 20 0 DDADHP C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246993522 893064842 /nfs/dbraw/zinc/06/48/42/893064842.db2.gz NWQUESGTCDPKDT-GOSISDBHSA-N 2 3 320.525 1.809 20 0 DDADHP C[NH+]1CCC[C@H]1CCN1CCCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000348077897 283357452 /nfs/dbraw/zinc/35/74/52/283357452.db2.gz RDGDDMXIDSZBMH-OALUTQOASA-N 2 3 322.541 1.963 20 0 DDADHP C[NH+]1CCC[C@H]1CCN1CCCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000348077897 283357453 /nfs/dbraw/zinc/35/74/53/283357453.db2.gz RDGDDMXIDSZBMH-OALUTQOASA-N 2 3 322.541 1.963 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000154473299 408041217 /nfs/dbraw/zinc/04/12/17/408041217.db2.gz NFFDYVNKXXKPQI-ROUUACIJSA-N 2 3 310.530 1.724 20 0 DDADHP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000422743485 227148672 /nfs/dbraw/zinc/14/86/72/227148672.db2.gz RLRNLEXOPCYFOB-FUHWJXTLSA-N 2 3 305.466 1.887 20 0 DDADHP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000422983498 227296704 /nfs/dbraw/zinc/29/67/04/227296704.db2.gz ZSOBUKYPGSALGJ-KZNAEPCWSA-N 2 3 309.498 1.591 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414692063 419821323 /nfs/dbraw/zinc/82/13/23/419821323.db2.gz KNAXJQOYXSOARN-YRXWBPOGSA-N 2 3 322.541 1.865 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414692063 419821331 /nfs/dbraw/zinc/82/13/31/419821331.db2.gz KNAXJQOYXSOARN-YRXWBPOGSA-N 2 3 322.541 1.865 20 0 DDADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000423032830 533848848 /nfs/dbraw/zinc/84/88/48/533848848.db2.gz NEPWEBNEIWIILT-QAPCUYQASA-N 2 3 305.466 1.860 20 0 DDADHP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414738490 528095188 /nfs/dbraw/zinc/09/51/88/528095188.db2.gz PAVWOGNZZZYLCJ-QGZVFWFLSA-N 2 3 324.513 1.238 20 0 DDADHP [NH3+]CCOCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310033938 698669915 /nfs/dbraw/zinc/66/99/15/698669915.db2.gz ZMQSAGIOBGSTMB-ZWKOTPCHSA-N 2 3 303.450 1.416 20 0 DDADHP [NH3+]CCOCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310033938 698669918 /nfs/dbraw/zinc/66/99/18/698669918.db2.gz ZMQSAGIOBGSTMB-ZWKOTPCHSA-N 2 3 303.450 1.416 20 0 DDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000849022079 703611895 /nfs/dbraw/zinc/61/18/95/703611895.db2.gz ZBAJLYGPPVMMPR-OAHLLOKOSA-N 2 3 309.502 1.707 20 0 DDADHP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000902407210 710744397 /nfs/dbraw/zinc/74/43/97/710744397.db2.gz WYNKUQXMSYDZAZ-KGLIPLIRSA-N 2 3 309.454 1.040 20 0 DDADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903751544 711267519 /nfs/dbraw/zinc/26/75/19/711267519.db2.gz KKLKONDPFAAHJL-ULQDDVLXSA-N 2 3 307.482 1.609 20 0 DDADHP CN1CCC(CN[C@H]2CC[NH2+]C2(C)C)([NH+]2CCCCC2)CC1 ZINC000925515523 714878334 /nfs/dbraw/zinc/87/83/34/714878334.db2.gz UDGUWLDZFUXHIY-INIZCTEOSA-N 2 3 308.514 1.667 20 0 DDADHP C[C@H]1NCCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000925545498 714884787 /nfs/dbraw/zinc/88/47/87/714884787.db2.gz GLXBVINQAGGSBX-SJLPKXTDSA-N 2 3 317.481 1.324 20 0 DDADHP c1cc(N2CCC(CN[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc[nH+]1 ZINC000925615989 714900803 /nfs/dbraw/zinc/90/08/03/714900803.db2.gz PVSMZENKQYJTMV-WAARBJQMSA-N 2 3 312.461 1.884 20 0 DDADHP [NH3+]CC1(c2ccccc2)CC[NH+](CC[C@@H]2CNCCO2)CC1 ZINC001206745288 872550467 /nfs/dbraw/zinc/55/04/67/872550467.db2.gz SPBNYCHTXHBSHQ-QGZVFWFLSA-N 2 3 303.450 1.357 20 0 DDADHP C[C@H]1CC[C@@H](C[NH3+])CN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001206770826 872563886 /nfs/dbraw/zinc/56/38/86/872563886.db2.gz TUNGARMDVXNNCC-HOTGVXAUSA-N 2 3 302.466 1.655 20 0 DDADHP C[NH+](C)CCc1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001219022649 877877051 /nfs/dbraw/zinc/87/70/51/877877051.db2.gz OJWHRNBUPJJGPN-INIZCTEOSA-N 2 3 304.438 1.056 20 0 DDADHP N[C@H](CCC[NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941354 878609103 /nfs/dbraw/zinc/60/91/03/878609103.db2.gz VXBGSKGESUWSNF-IAGOWNOFSA-N 2 3 318.465 1.081 20 0 DDADHP N[C@H](CCC[NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941354 878609118 /nfs/dbraw/zinc/60/91/18/878609118.db2.gz VXBGSKGESUWSNF-IAGOWNOFSA-N 2 3 318.465 1.081 20 0 DDADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220062202 878680951 /nfs/dbraw/zinc/68/09/51/878680951.db2.gz QBHLSEKYDKMRLW-CVEARBPZSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220062202 878680955 /nfs/dbraw/zinc/68/09/55/878680955.db2.gz QBHLSEKYDKMRLW-CVEARBPZSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220062202 878680961 /nfs/dbraw/zinc/68/09/61/878680961.db2.gz QBHLSEKYDKMRLW-CVEARBPZSA-N 2 3 322.497 1.241 20 0 DDADHP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220062202 878680970 /nfs/dbraw/zinc/68/09/70/878680970.db2.gz QBHLSEKYDKMRLW-CVEARBPZSA-N 2 3 322.497 1.241 20 0 DDADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)[C@H](C)C1 ZINC001221405510 879759578 /nfs/dbraw/zinc/75/95/78/879759578.db2.gz AKJYSVTWEYUZAZ-BZUAXINKSA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)[C@H](C)C1 ZINC001221405510 879759587 /nfs/dbraw/zinc/75/95/87/879759587.db2.gz AKJYSVTWEYUZAZ-BZUAXINKSA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)[C@H](C)C1 ZINC001221405510 879759603 /nfs/dbraw/zinc/75/96/03/879759603.db2.gz AKJYSVTWEYUZAZ-BZUAXINKSA-N 2 3 322.497 1.096 20 0 DDADHP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)[C@H](C)C1 ZINC001221405510 879759617 /nfs/dbraw/zinc/75/96/17/879759617.db2.gz AKJYSVTWEYUZAZ-BZUAXINKSA-N 2 3 322.497 1.096 20 0 DDADHP [NH3+]C1([C@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]2CF)CC1 ZINC001235395482 888611805 /nfs/dbraw/zinc/61/18/05/888611805.db2.gz GGDHNZFQCLVFMC-JSGCOSHPSA-N 2 3 309.454 1.903 20 0 DDADHP [NH3+]C1([C@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]2CF)CC1 ZINC001235396707 888614410 /nfs/dbraw/zinc/61/44/10/888614410.db2.gz LCCFAHBMXPGMHL-IRXDYDNUSA-N 2 3 303.425 1.841 20 0 DDADHP [NH3+]C1CN([C@@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)C1 ZINC001236072256 889093238 /nfs/dbraw/zinc/09/32/38/889093238.db2.gz FQLFHUUGVGCWCH-CQSZACIVSA-N 2 3 306.479 1.001 20 0 DDADHP c1ccc(C[C@H]2C[C@H]([NH2+]CCCN3CC[NH2+]CC3)CCN2)cc1 ZINC001246115216 892421669 /nfs/dbraw/zinc/42/16/69/892421669.db2.gz QZZJISOLNQLFPY-MOPGFXCFSA-N 2 3 316.493 1.235 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246124251 892424625 /nfs/dbraw/zinc/42/46/25/892424625.db2.gz DNZXCVCGZXGKAV-OAGGEKHMSA-N 2 3 309.498 1.901 20 0 DDADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246144307 892438722 /nfs/dbraw/zinc/43/87/22/892438722.db2.gz SVZWXFZNNXQULQ-YVSFHVDLSA-N 2 3 307.482 1.655 20 0 DDADHP [NH3+]C1(c2cccc(F)c2)CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246387351 892591819 /nfs/dbraw/zinc/59/18/19/892591819.db2.gz LCNWQLGDXLHBGB-INIZCTEOSA-N 2 3 318.440 1.170 20 0 DDADHP NC1(c2cccc(F)c2)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246387351 892591830 /nfs/dbraw/zinc/59/18/30/892591830.db2.gz LCNWQLGDXLHBGB-INIZCTEOSA-N 2 3 318.440 1.170 20 0 DDADHP COCCC1([NH2+]C2CCC3(CC2)C[NH2+]CCO3)CCNCC1 ZINC001246391669 892595383 /nfs/dbraw/zinc/59/53/83/892595383.db2.gz OIOODZUDUXRZKL-UHFFFAOYSA-N 2 3 311.470 1.036 20 0 DDADHP CC[C@@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246430211 892619817 /nfs/dbraw/zinc/61/98/17/892619817.db2.gz XIQMBNLUAOLMHA-CVEARBPZSA-N 2 3 302.466 1.823 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246653975 892768691 /nfs/dbraw/zinc/76/86/91/892768691.db2.gz GCTGXLSCZIGNKK-AJNGGQMLSA-N 2 3 317.399 1.992 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246653975 892768695 /nfs/dbraw/zinc/76/86/95/892768695.db2.gz GCTGXLSCZIGNKK-AJNGGQMLSA-N 2 3 317.399 1.992 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)CC[NH2+]CC1 ZINC000423211853 285666410 /nfs/dbraw/zinc/66/64/10/285666410.db2.gz HLEJZWHUAUFQKG-QLFBSQMISA-N 2 3 311.470 1.286 20 0 DDADHP CC(C)N1CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000415057180 419924339 /nfs/dbraw/zinc/92/43/39/419924339.db2.gz RERHOXKTMYEZGM-UHFFFAOYSA-N 2 3 308.514 1.665 20 0 DDADHP CC(C)N1CCC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000415057180 419924344 /nfs/dbraw/zinc/92/43/44/419924344.db2.gz RERHOXKTMYEZGM-UHFFFAOYSA-N 2 3 308.514 1.665 20 0 DDADHP CC(C)N1CCN(CCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000420307697 420195653 /nfs/dbraw/zinc/19/56/53/420195653.db2.gz CBPXNWMDXACEKY-LJQANCHMSA-N 2 3 322.541 1.724 20 0 DDADHP C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000665233422 424762903 /nfs/dbraw/zinc/76/29/03/424762903.db2.gz HMENQIBCKVRLNO-YJBOKZPZSA-N 2 3 309.498 1.998 20 0 DDADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000665239584 424764041 /nfs/dbraw/zinc/76/40/41/424764041.db2.gz VBCPZYCJTICAGW-CRAIPNDOSA-N 2 3 305.466 1.860 20 0 DDADHP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000422912850 278169699 /nfs/dbraw/zinc/16/96/99/278169699.db2.gz XAUVEUBUXFYELL-CQSZACIVSA-N 2 3 306.454 1.195 20 0 DDADHP CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902321823 710716142 /nfs/dbraw/zinc/71/61/42/710716142.db2.gz XLYMLZMOFCULIA-DLBZAZTESA-N 2 3 310.530 1.628 20 0 DDADHP [NH3+][C@H]1CCC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925817024 714943093 /nfs/dbraw/zinc/94/30/93/714943093.db2.gz MCPKHECNGRKXHJ-ROUUACIJSA-N 2 3 302.466 1.451 20 0 DDADHP N[C@H](CCC[NH3+])Nc1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001170899272 771897874 /nfs/dbraw/zinc/89/78/74/771897874.db2.gz IWWFLRFZHFTJIK-YOEHRIQHSA-N 2 3 316.453 1.787 20 0 DDADHP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)cc1 ZINC001219345247 878137975 /nfs/dbraw/zinc/13/79/75/878137975.db2.gz FGHZZKKPZPLJFG-HNNXBMFYSA-N 2 3 316.449 1.548 20 0 DDADHP C(C[C@H]1CCOC12CC[NH2+]CC2)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246143119 892439488 /nfs/dbraw/zinc/43/94/88/892439488.db2.gz TUEKPVHTXWMDOT-MWDXBVQZSA-N 2 3 307.482 1.798 20 0 DDADHP [NH3+]C1CCN(CC[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246407185 892607652 /nfs/dbraw/zinc/60/76/52/892607652.db2.gz XCBBNTAGNOFMTP-RTBURBONSA-N 2 3 316.493 1.362 20 0 DDADHP CC(C)N1CCN(C2CC[NH+](CC3CC[NH2+]CC3)CC2)CC1 ZINC000346969082 410282887 /nfs/dbraw/zinc/28/28/87/410282887.db2.gz DZGFBKMUUZNCFM-UHFFFAOYSA-N 2 3 308.514 1.476 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)CC1 ZINC000367760554 418631064 /nfs/dbraw/zinc/63/10/64/418631064.db2.gz ZXDPPYVJWYPXSH-OTWHNJEPSA-N 2 3 322.541 1.867 20 0 DDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423037686 227321905 /nfs/dbraw/zinc/32/19/05/227321905.db2.gz WPPUGZPPLPLZNY-RLFYNMQTSA-N 2 3 305.466 1.859 20 0 DDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423037686 227321911 /nfs/dbraw/zinc/32/19/11/227321911.db2.gz WPPUGZPPLPLZNY-RLFYNMQTSA-N 2 3 305.466 1.859 20 0 DDADHP COC[C@H](CCC[NH3+])NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423477307 420058409 /nfs/dbraw/zinc/05/84/09/420058409.db2.gz SJJGDHUSEHMRCZ-RYQLBKOJSA-N 2 3 323.456 1.862 20 0 DDADHP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423477307 420058412 /nfs/dbraw/zinc/05/84/12/420058412.db2.gz SJJGDHUSEHMRCZ-RYQLBKOJSA-N 2 3 323.456 1.862 20 0 DDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC000635467225 422017991 /nfs/dbraw/zinc/01/79/91/422017991.db2.gz ZMGSIZCDZLFYKZ-SJORKVTESA-N 2 3 324.513 1.203 20 0 DDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC000635467225 422017997 /nfs/dbraw/zinc/01/79/97/422017997.db2.gz ZMGSIZCDZLFYKZ-SJORKVTESA-N 2 3 324.513 1.203 20 0 DDADHP CC[NH+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635467225 422018000 /nfs/dbraw/zinc/01/80/00/422018000.db2.gz ZMGSIZCDZLFYKZ-SJORKVTESA-N 2 3 324.513 1.203 20 0 DDADHP CC[NH+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635467225 422018006 /nfs/dbraw/zinc/01/80/06/422018006.db2.gz ZMGSIZCDZLFYKZ-SJORKVTESA-N 2 3 324.513 1.203 20 0 DDADHP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000128272075 281305338 /nfs/dbraw/zinc/30/53/38/281305338.db2.gz FTZKQQLGZICYND-UHFFFAOYSA-N 2 3 308.514 1.478 20 0 DDADHP C[N@H+]1CCCN(CCC[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000128272075 281305342 /nfs/dbraw/zinc/30/53/42/281305342.db2.gz FTZKQQLGZICYND-UHFFFAOYSA-N 2 3 308.514 1.478 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000423034181 534074749 /nfs/dbraw/zinc/07/47/49/534074749.db2.gz PNMPWCBYOFCNRL-AYOQOUSVSA-N 2 3 317.477 1.731 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000423034181 534074757 /nfs/dbraw/zinc/07/47/57/534074757.db2.gz PNMPWCBYOFCNRL-AYOQOUSVSA-N 2 3 317.477 1.731 20 0 DDADHP CC(C)[NH+]1CCC(N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000414713100 528993062 /nfs/dbraw/zinc/99/30/62/528993062.db2.gz VJJMKAPHXSWLHW-MSOLQXFVSA-N 2 3 322.541 1.865 20 0 DDADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816985 714942886 /nfs/dbraw/zinc/94/28/86/714942886.db2.gz KOGZJCIJHNXKCE-LPHOPBHVSA-N 2 3 316.493 1.570 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001161049678 866320769 /nfs/dbraw/zinc/32/07/69/866320769.db2.gz HKDKLYXVGBQPNM-HOTGVXAUSA-N 2 3 312.502 1.423 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001161049678 866320786 /nfs/dbraw/zinc/32/07/86/866320786.db2.gz HKDKLYXVGBQPNM-HOTGVXAUSA-N 2 3 312.502 1.423 20 0 DDADHP C[NH+]1CCC(c2ccc(NC(=O)[C@H](N)CCC[NH3+])cc2)CC1 ZINC001218822765 877753440 /nfs/dbraw/zinc/75/34/40/877753440.db2.gz FQHNJWBLWDAUNI-MRXNPFEDSA-N 2 3 304.438 1.501 20 0 DDADHP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220384152 878970311 /nfs/dbraw/zinc/97/03/11/878970311.db2.gz KZJYDYKJFHEXSG-WBVHZDCISA-N 2 3 316.449 1.449 20 0 DDADHP CCOC(=O)[C@@H]1CC2(CN1CCC1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001222215503 880335488 /nfs/dbraw/zinc/33/54/88/880335488.db2.gz GJVWYEOUIXGRAC-INIZCTEOSA-N 2 3 323.481 1.383 20 0 DDADHP Cn1cc(C[N@@H+]2CCCC23CCN(CCCC[NH3+])CC3)cn1 ZINC001235557926 888744848 /nfs/dbraw/zinc/74/48/48/888744848.db2.gz IWUDIHPSCPBQLJ-UHFFFAOYSA-N 2 3 305.470 1.589 20 0 DDADHP Cn1cc(C[N@H+]2CCCC23CCN(CCCC[NH3+])CC3)cn1 ZINC001235557926 888744859 /nfs/dbraw/zinc/74/48/59/888744859.db2.gz IWUDIHPSCPBQLJ-UHFFFAOYSA-N 2 3 305.470 1.589 20 0 DDADHP c1c(CN2C[C@H]3CC[NH2+]C[C@H]3C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235938914 889023576 /nfs/dbraw/zinc/02/35/76/889023576.db2.gz MTULIZFOMQIJAM-CVEARBPZSA-N 2 3 310.445 1.786 20 0 DDADHP CCCC[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246374121 892581325 /nfs/dbraw/zinc/58/13/25/892581325.db2.gz KWDAWPPELZOYEH-KURKYZTESA-N 2 3 308.514 1.713 20 0 DDADHP c1ccc(CC2([NH2+][C@H]3CSC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246467897 892643160 /nfs/dbraw/zinc/64/31/60/892643160.db2.gz WCRPZIJMROGXSP-MRXNPFEDSA-N 2 3 317.502 1.788 20 0 DDADHP c1ccc(CC2(N[C@H]3CSC4(C[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246467897 892643166 /nfs/dbraw/zinc/64/31/66/892643166.db2.gz WCRPZIJMROGXSP-MRXNPFEDSA-N 2 3 317.502 1.788 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246654395 892769219 /nfs/dbraw/zinc/76/92/19/892769219.db2.gz HRGXYHGSXXYLKO-GUTXKFCHSA-N 2 3 317.399 1.992 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246654395 892769230 /nfs/dbraw/zinc/76/92/30/892769230.db2.gz HRGXYHGSXXYLKO-GUTXKFCHSA-N 2 3 317.399 1.992 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+](C3C[C@H](C)N[C@@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246685050 892783713 /nfs/dbraw/zinc/78/37/13/892783713.db2.gz ZWOMZACVQZVKQP-XSWJXKHESA-N 2 3 323.481 1.380 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+](C3C[C@H](C)N[C@@H](C)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246685050 892783715 /nfs/dbraw/zinc/78/37/15/892783715.db2.gz ZWOMZACVQZVKQP-XSWJXKHESA-N 2 3 323.481 1.380 20 0 DDADHP C[NH+]1CCC(CN2CCN(C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC001256081716 897273365 /nfs/dbraw/zinc/27/33/65/897273365.db2.gz LBSFKDDVHKCTJB-UHFFFAOYSA-N 2 3 320.525 1.573 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420333824 302382835 /nfs/dbraw/zinc/38/28/35/302382835.db2.gz TULAMWAEGMGZEW-MOPGFXCFSA-N 2 3 322.541 1.724 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420333824 302382838 /nfs/dbraw/zinc/38/28/38/302382838.db2.gz TULAMWAEGMGZEW-MOPGFXCFSA-N 2 3 322.541 1.724 20 0 DDADHP C[NH+]1CCC(N2CCC(NC(=O)CCCCC[NH3+])CC2)CC1 ZINC000827976961 706097776 /nfs/dbraw/zinc/09/77/76/706097776.db2.gz XKAMJEYTQRPVJU-UHFFFAOYSA-N 2 3 310.486 1.180 20 0 DDADHP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000903740766 711263128 /nfs/dbraw/zinc/26/31/28/711263128.db2.gz YPJYDFXZKNUHNR-IKGGRYGDSA-N 2 3 309.498 1.807 20 0 DDADHP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000903740766 711263133 /nfs/dbraw/zinc/26/31/33/711263133.db2.gz YPJYDFXZKNUHNR-IKGGRYGDSA-N 2 3 309.498 1.807 20 0 DDADHP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000925717308 714920630 /nfs/dbraw/zinc/92/06/30/714920630.db2.gz SLGUHUPQVPXVBD-UYTYNIKBSA-N 2 3 307.482 1.450 20 0 DDADHP CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC001413273942 856599654 /nfs/dbraw/zinc/59/96/54/856599654.db2.gz IAEZIFULXDUZIY-QGTPRVQTSA-N 2 3 300.450 1.980 20 0 DDADHP C[C@H](C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001161447896 866674539 /nfs/dbraw/zinc/67/45/39/866674539.db2.gz ZVBNZTXJEXZGJL-TWMKSMIVSA-N 2 3 324.513 1.153 20 0 DDADHP [NH3+]C1([C@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@H]2CF)CC1 ZINC001235396708 888613795 /nfs/dbraw/zinc/61/37/95/888613795.db2.gz LCCFAHBMXPGMHL-SJORKVTESA-N 2 3 303.425 1.841 20 0 DDADHP CC[NH+]1CCC(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC001364641662 889103987 /nfs/dbraw/zinc/10/39/87/889103987.db2.gz YCQAMKQFUYZCKE-FGTMMUONSA-N 2 3 309.498 1.902 20 0 DDADHP c1ccc([C@@H]2C[C@@H]([NH2+]CCCC[NH+]3CCNCC3)CCN2)cc1 ZINC001246089302 892411267 /nfs/dbraw/zinc/41/12/67/892411267.db2.gz OWOMOKJQZCLJIX-OALUTQOASA-N 2 3 316.493 1.755 20 0 DDADHP CCCC[C@@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246141029 892434916 /nfs/dbraw/zinc/43/49/16/892434916.db2.gz HVHDFLZIXXJJGF-ZACQAIPSSA-N 2 3 308.514 1.761 20 0 DDADHP C1CCC2(CC1)C[C@@H](N1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CC[NH2+]2 ZINC001246628686 892749451 /nfs/dbraw/zinc/74/94/51/892749451.db2.gz CFLUTYIVPZEQAU-IXDOHACOSA-N 2 3 307.482 1.752 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246653976 892768909 /nfs/dbraw/zinc/76/89/09/892768909.db2.gz GCTGXLSCZIGNKK-XGUBFFRZSA-N 2 3 317.399 1.992 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246653976 892768918 /nfs/dbraw/zinc/76/89/18/892768918.db2.gz GCTGXLSCZIGNKK-XGUBFFRZSA-N 2 3 317.399 1.992 20 0 DDADHP CC(C)(C)[C@H]1C[C@@H](N2CCC(N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246889766 892970275 /nfs/dbraw/zinc/97/02/75/892970275.db2.gz ZRRDUYQMNSLWAX-DLBZAZTESA-N 2 3 308.514 1.523 20 0 DDADHP CC[NH+](CC)CC[C@@H](C)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001255963617 897174635 /nfs/dbraw/zinc/17/46/35/897174635.db2.gz RWMNNRHCDUALKI-FGTMMUONSA-N 2 3 310.530 1.817 20 0 DDADHP C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@H]1CCC[NH2+]1 ZINC000422797130 299282238 /nfs/dbraw/zinc/28/22/38/299282238.db2.gz ZXONGKSAFKLWLU-DLBZAZTESA-N 2 3 308.514 1.667 20 0 DDADHP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297287491 409893048 /nfs/dbraw/zinc/89/30/48/409893048.db2.gz AEYQRRXITBTEDQ-GOSISDBHSA-N 2 3 320.481 1.997 20 0 DDADHP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)CC1 ZINC000367760553 418631663 /nfs/dbraw/zinc/63/16/63/418631663.db2.gz ZXDPPYVJWYPXSH-IPMKNSEASA-N 2 3 322.541 1.867 20 0 DDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000365418717 418859285 /nfs/dbraw/zinc/85/92/85/418859285.db2.gz PAUXZOAJGKCIQU-HWOWSKLDSA-N 2 3 307.486 1.602 20 0 DDADHP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423208619 419984870 /nfs/dbraw/zinc/98/48/70/419984870.db2.gz TYJNUWNDASGLTA-INIZCTEOSA-N 2 3 320.481 1.183 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)CC[NH2+]CC1 ZINC000423211851 419987283 /nfs/dbraw/zinc/98/72/83/419987283.db2.gz HLEJZWHUAUFQKG-ILXRZTDVSA-N 2 3 311.470 1.286 20 0 DDADHP N[C@H](CC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2)Cc1ccccc1 ZINC000925725276 714922164 /nfs/dbraw/zinc/92/21/64/714922164.db2.gz ILDYRIFAHQKKQP-ILOCAZANSA-N 2 3 303.450 1.288 20 0 DDADHP CCN1CCCC[C@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161445361 736871267 /nfs/dbraw/zinc/87/12/67/736871267.db2.gz OUOKYERALDKATE-CVEARBPZSA-N 2 3 310.486 1.003 20 0 DDADHP CC[NH+]1CCC(N2CCN(CC3CC[NH+](C)CC3)CC2)CC1 ZINC001169264929 762297981 /nfs/dbraw/zinc/29/79/81/762297981.db2.gz UICOSWQOYZRSRI-UHFFFAOYSA-N 2 3 308.514 1.430 20 0 DDADHP [NH3+]CCCC[NH2+]CCCNc1ncccc1CN1CCCC1 ZINC001162294750 867418106 /nfs/dbraw/zinc/41/81/06/867418106.db2.gz VWXWFTXOLQLGMZ-UHFFFAOYSA-N 2 3 305.470 1.808 20 0 DDADHP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220384150 878968830 /nfs/dbraw/zinc/96/88/30/878968830.db2.gz KZJYDYKJFHEXSG-NVXWUHKLSA-N 2 3 316.449 1.449 20 0 DDADHP C[NH+]1C(C)(C)CC(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1(C)C ZINC001220511412 879073366 /nfs/dbraw/zinc/07/33/66/879073366.db2.gz WKSCIRSYDJHGCZ-AWEZNQCLSA-N 2 3 310.486 1.081 20 0 DDADHP c1cc2n(c1)C[C@H](CC[NH2+][C@@H]1CCNC3(CCC3)C1)C[NH2+]C2 ZINC001246140337 892436126 /nfs/dbraw/zinc/43/61/26/892436126.db2.gz NVOGZPDDBPMKRE-HZPDHXFCSA-N 2 3 302.466 1.862 20 0 DDADHP COC(=O)CC1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNCC1 ZINC001246362793 892571390 /nfs/dbraw/zinc/57/13/90/892571390.db2.gz HTAIRNNRLURTMC-UHFFFAOYSA-N 2 3 309.454 1.184 20 0 DDADHP NC1=CC=C(C2CC[NH+]([C@@H]3CCC4(C3)CC[NH2+]CC4)CC2)NC1 ZINC001246496219 892658328 /nfs/dbraw/zinc/65/83/28/892658328.db2.gz SZKOBQLMCWYDIR-QGZVFWFLSA-N 2 3 316.493 1.950 20 0 DDADHP C1CCC2(CC1)C[C@H](N1CCC(N3CC[NH2+]CC3)CC1)CC[NH2+]2 ZINC001246887382 892970035 /nfs/dbraw/zinc/97/00/35/892970035.db2.gz OJURMOZRWBLVEM-GOSISDBHSA-N 2 3 320.525 1.811 20 0 DDADHP CCCN1CCC([NH2+]CCCC[NH+]2CCN(CC)CC2)CC1 ZINC000154447242 539206455 /nfs/dbraw/zinc/20/64/55/539206455.db2.gz UCEAWDAXTIBTLC-UHFFFAOYSA-N 2 3 310.530 1.868 20 0 DDADHP C[NH+](C)CCOc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000423022727 227316146 /nfs/dbraw/zinc/31/61/46/227316146.db2.gz IIQQUAYDEMBNRH-JKSUJKDBSA-N 2 3 306.454 1.629 20 0 DDADHP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000422743487 289171661 /nfs/dbraw/zinc/17/16/61/289171661.db2.gz RLRNLEXOPCYFOB-SJLPKXTDSA-N 2 3 305.466 1.887 20 0 DDADHP C[NH+]1CCC(N2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000677241099 486423410 /nfs/dbraw/zinc/42/34/10/486423410.db2.gz MACHETBWRPBCNV-BQFCYCMXSA-N 2 3 306.498 1.371 20 0 DDADHP C[NH+]1CCC(N2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000677241099 486423412 /nfs/dbraw/zinc/42/34/12/486423412.db2.gz MACHETBWRPBCNV-BQFCYCMXSA-N 2 3 306.498 1.371 20 0 DDADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN(CC3CC[NH+](C)CC3)CC1)C2 ZINC001169154457 762265117 /nfs/dbraw/zinc/26/51/17/762265117.db2.gz QSSGNHHYSYNDDZ-REPLKXPHSA-N 2 3 320.525 1.571 20 0 DDADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN(CC3CC[NH+](C)CC3)CC1)C2 ZINC001169154457 762265121 /nfs/dbraw/zinc/26/51/21/762265121.db2.gz QSSGNHHYSYNDDZ-REPLKXPHSA-N 2 3 320.525 1.571 20 0 DDADHP CC(C)[NH+]1CCN(c2ccc(N[C@H](N)CCC[NH3+])cn2)CC1 ZINC001170898555 771898018 /nfs/dbraw/zinc/89/80/18/771898018.db2.gz DUDGPNIHXGZSOE-HNNXBMFYSA-N 2 3 306.458 1.048 20 0 DDADHP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160482430 865878363 /nfs/dbraw/zinc/87/83/63/865878363.db2.gz GPYKPSGUZANYFT-MRXNPFEDSA-N 2 3 322.497 1.193 20 0 DDADHP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160482430 865878380 /nfs/dbraw/zinc/87/83/80/865878380.db2.gz GPYKPSGUZANYFT-MRXNPFEDSA-N 2 3 322.497 1.193 20 0 DDADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@H](C1)CCCN2C ZINC001161084827 866363132 /nfs/dbraw/zinc/36/31/32/866363132.db2.gz JIBFLDMRMGYAEM-JYJNAYRXSA-N 2 3 310.486 1.035 20 0 DDADHP COC(=O)C1(CN[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC[NH2+]CC1 ZINC001246091835 892411970 /nfs/dbraw/zinc/41/19/70/892411970.db2.gz APKNNZGOSPVSHF-KGLIPLIRSA-N 2 3 311.470 1.286 20 0 DDADHP C(N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246180776 892467899 /nfs/dbraw/zinc/46/78/99/892467899.db2.gz PJZAGELUIXKJLS-YVSFHVDLSA-N 2 3 307.482 1.798 20 0 DDADHP C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246180776 892467907 /nfs/dbraw/zinc/46/79/07/892467907.db2.gz PJZAGELUIXKJLS-YVSFHVDLSA-N 2 3 307.482 1.798 20 0 DDADHP OC1(CC[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246185211 892470440 /nfs/dbraw/zinc/47/04/40/892470440.db2.gz BLRXAFFBLROBFO-QZTJIDSGSA-N 2 3 317.477 1.444 20 0 DDADHP Fc1ccccc1C1([NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNCC1 ZINC001246435299 892621343 /nfs/dbraw/zinc/62/13/43/892621343.db2.gz GYBUADSHLDFWDK-QDMKHBRRSA-N 2 3 303.425 1.992 20 0 DDADHP FC1(F)CC[NH2+]C[C@]12CCN([C@@H]1CSC3(C[NH2+]C3)C1)C2 ZINC001246640283 892760687 /nfs/dbraw/zinc/76/06/87/892760687.db2.gz RNXANZZMGVBMDG-RYUDHWBXSA-N 2 3 303.422 1.155 20 0 DDADHP COCC[N@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@@H]1CCCNC1 ZINC001246927980 892996474 /nfs/dbraw/zinc/99/64/74/892996474.db2.gz IYXQXZLDWONLTJ-LXPRWKDFSA-N 2 3 309.498 1.999 20 0 DDADHP COCC[N@@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@@H]1CCCNC1 ZINC001246927980 892996479 /nfs/dbraw/zinc/99/64/79/892996479.db2.gz IYXQXZLDWONLTJ-LXPRWKDFSA-N 2 3 309.498 1.999 20 0 DDADHP CC[N@@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H](C)C1 ZINC000635008792 422762936 /nfs/dbraw/zinc/76/29/36/422762936.db2.gz KPZZDPAJZQKDNE-ZBFHGGJFSA-N 2 3 303.454 1.633 20 0 DDADHP CC[N@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H](C)C1 ZINC000635008792 422762941 /nfs/dbraw/zinc/76/29/41/422762941.db2.gz KPZZDPAJZQKDNE-ZBFHGGJFSA-N 2 3 303.454 1.633 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000423034186 534071634 /nfs/dbraw/zinc/07/16/34/534071634.db2.gz PNMPWCBYOFCNRL-MNEFBYGVSA-N 2 3 317.477 1.731 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000423034186 534071645 /nfs/dbraw/zinc/07/16/45/534071645.db2.gz PNMPWCBYOFCNRL-MNEFBYGVSA-N 2 3 317.477 1.731 20 0 DDADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422743091 527846620 /nfs/dbraw/zinc/84/66/20/527846620.db2.gz QWRNRGCYOBHJST-JCGIZDLHSA-N 2 3 305.466 1.980 20 0 DDADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422743091 527846625 /nfs/dbraw/zinc/84/66/25/527846625.db2.gz QWRNRGCYOBHJST-JCGIZDLHSA-N 2 3 305.466 1.980 20 0 DDADHP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925608161 714899007 /nfs/dbraw/zinc/89/90/07/714899007.db2.gz ZVGQRSYRGGKDNS-RTBURBONSA-N 2 3 322.541 1.770 20 0 DDADHP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925844168 714948895 /nfs/dbraw/zinc/94/88/95/714948895.db2.gz WNAWYZGUHLFUEQ-MJGOQNOKSA-N 2 3 318.509 1.610 20 0 DDADHP CNC(=O)C[N@@H+]1CCCC12CCN(CC1CC[NH+](C)CC1)CC2 ZINC001207396840 873232188 /nfs/dbraw/zinc/23/21/88/873232188.db2.gz WFHHVFOUIRAZGC-UHFFFAOYSA-N 2 3 322.497 1.005 20 0 DDADHP CNC(=O)C[N@H+]1CCCC12CCN(CC1CC[NH+](C)CC1)CC2 ZINC001207396840 873232197 /nfs/dbraw/zinc/23/21/97/873232197.db2.gz WFHHVFOUIRAZGC-UHFFFAOYSA-N 2 3 322.497 1.005 20 0 DDADHP C[NH+]1CCC(CN2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC001208615221 874326908 /nfs/dbraw/zinc/32/69/08/874326908.db2.gz HGZQFWMWGSOCRP-GOSISDBHSA-N 2 3 308.514 1.288 20 0 DDADHP C[NH+]1CCC(CN2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001208615221 874326919 /nfs/dbraw/zinc/32/69/19/874326919.db2.gz HGZQFWMWGSOCRP-GOSISDBHSA-N 2 3 308.514 1.288 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001219980474 878630103 /nfs/dbraw/zinc/63/01/03/878630103.db2.gz IGKSYUKSUKSPQA-CVEARBPZSA-N 2 3 312.502 1.330 20 0 DDADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001219980474 878630115 /nfs/dbraw/zinc/63/01/15/878630115.db2.gz IGKSYUKSUKSPQA-CVEARBPZSA-N 2 3 312.502 1.330 20 0 DDADHP CCOC(=O)[C@H]1CC2(CN1CC[C@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC001222215992 880336189 /nfs/dbraw/zinc/33/61/89/880336189.db2.gz RMCZSLAQUOUIEX-HZPDHXFCSA-N 2 3 323.481 1.383 20 0 DDADHP [NH3+]CC[C@@H]1CCCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235925477 889019981 /nfs/dbraw/zinc/01/99/81/889019981.db2.gz QGAMPXMOHVPAIR-SFHVURJKSA-N 2 3 302.466 1.405 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@@H]3COC4(C[NH2+]C4)C3)CCN2)cc1 ZINC001246135997 892429152 /nfs/dbraw/zinc/42/91/52/892429152.db2.gz QXAJKIOZSLWOHO-FGTMMUONSA-N 2 3 315.461 1.318 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@@H]3COC4(C[NH2+]C4)C3)CCN2)cc1 ZINC001246136000 892430478 /nfs/dbraw/zinc/43/04/78/892430478.db2.gz QXAJKIOZSLWOHO-KZNAEPCWSA-N 2 3 315.461 1.318 20 0 DDADHP c1ccc([C@@H]2C[C@H](N[C@@H]3CO[C@]4(CC[NH2+]C4)C3)CC[NH2+]2)cc1 ZINC001246150114 892443858 /nfs/dbraw/zinc/44/38/58/892443858.db2.gz FLBNEHBKPWJQTF-VSZNYVQBSA-N 2 3 301.434 1.590 20 0 DDADHP c1cncc(CC2([NH2+][C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)c1 ZINC001246423345 892616431 /nfs/dbraw/zinc/61/64/31/892616431.db2.gz ZDFCEUKJBZTZEH-FVQHAEBGSA-N 2 3 300.450 1.334 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](N2CCC[C@H](N3CC(C[NH3+])C3)C2)CC[NH2+]1 ZINC001246871890 892961035 /nfs/dbraw/zinc/96/10/35/892961035.db2.gz OKBNMEYRUAKEHC-IKGGRYGDSA-N 2 3 308.514 1.508 20 0 DDADHP CC[N@@H+]1CC[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H](C)C1 ZINC000635008789 422762199 /nfs/dbraw/zinc/76/21/99/422762199.db2.gz KPZZDPAJZQKDNE-GDBMZVCRSA-N 2 3 303.454 1.633 20 0 DDADHP CC[N@H+]1CC[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H](C)C1 ZINC000635008789 422762206 /nfs/dbraw/zinc/76/22/06/422762206.db2.gz KPZZDPAJZQKDNE-GDBMZVCRSA-N 2 3 303.454 1.633 20 0 DDADHP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000422983499 227295462 /nfs/dbraw/zinc/29/54/62/227295462.db2.gz ZSOBUKYPGSALGJ-OKZBNKHCSA-N 2 3 309.498 1.591 20 0 DDADHP C[C@]1(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904388363 711850725 /nfs/dbraw/zinc/85/07/25/711850725.db2.gz HZMGDWBOZPVDFW-KSZLIROESA-N 2 3 306.498 1.277 20 0 DDADHP CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923483530 714370995 /nfs/dbraw/zinc/37/09/95/714370995.db2.gz BOIJSSRPDAYWLF-NVXWUHKLSA-N 2 3 318.465 1.076 20 0 DDADHP CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923483530 714370999 /nfs/dbraw/zinc/37/09/99/714370999.db2.gz BOIJSSRPDAYWLF-NVXWUHKLSA-N 2 3 318.465 1.076 20 0 DDADHP C[NH+](C)Cc1cc(F)cc(CN2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222099371 880247714 /nfs/dbraw/zinc/24/77/14/880247714.db2.gz CVZNTTPHNFGLPN-UHFFFAOYSA-N 2 3 320.456 1.415 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+](CCC34CC([NH3+])(C3)C4)C[C@@H]1CNCCC2 ZINC001222125050 880272378 /nfs/dbraw/zinc/27/23/78/880272378.db2.gz DROAXKVSNOPWDG-KUQKPQIMSA-N 2 3 321.465 1.123 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+](CCC34CC([NH3+])(C3)C4)C[C@@H]1CNCCC2 ZINC001222125050 880272395 /nfs/dbraw/zinc/27/23/95/880272395.db2.gz DROAXKVSNOPWDG-KUQKPQIMSA-N 2 3 321.465 1.123 20 0 DDADHP c1c(CN2CCOCC3(CC[NH2+]CC3)C2)sc2c1C[NH2+]CC2 ZINC001222407931 880445862 /nfs/dbraw/zinc/44/58/62/880445862.db2.gz SNFKXFCWQBCXLG-UHFFFAOYSA-N 2 3 321.490 1.596 20 0 DDADHP O[C@]1(C[NH2+][C@@H](CC2CC[NH2+]CC2)c2ccccc2)CCCNC1 ZINC001245998815 892315334 /nfs/dbraw/zinc/31/53/34/892315334.db2.gz JECPXTAYJJWFGH-RBUKOAKNSA-N 2 3 317.477 1.822 20 0 DDADHP O[C@@]1(CNCC2(Cc3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246006715 892323357 /nfs/dbraw/zinc/32/33/57/892323357.db2.gz SPUQTUAKMICGNW-SFHVURJKSA-N 2 3 321.440 1.052 20 0 DDADHP OC1(C[NH2+]C2(Cc3cccc(F)c3)CCNCC2)CC[NH2+]CC1 ZINC001246009132 892325373 /nfs/dbraw/zinc/32/53/73/892325373.db2.gz SFPDKZLDLHJOSS-UHFFFAOYSA-N 2 3 321.440 1.195 20 0 DDADHP OC1(CNC2(Cc3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246009132 892325393 /nfs/dbraw/zinc/32/53/93/892325393.db2.gz SFPDKZLDLHJOSS-UHFFFAOYSA-N 2 3 321.440 1.195 20 0 DDADHP C[NH+](C)CC[C@@H](N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246178257 892464014 /nfs/dbraw/zinc/46/40/14/892464014.db2.gz NRKSGGCZEYCDBY-DLBZAZTESA-N 2 3 302.466 1.363 20 0 DDADHP CCOC(=O)C1(CN[C@@H]2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]CC1 ZINC001246319216 892537140 /nfs/dbraw/zinc/53/71/40/892537140.db2.gz NNROKSRTHLVHNN-CABCVRRESA-N 2 3 311.470 1.286 20 0 DDADHP CN1CCC([N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)CC1 ZINC001246986416 893056458 /nfs/dbraw/zinc/05/64/58/893056458.db2.gz BLMTWNYYVDPCSS-QGZVFWFLSA-N 2 3 306.498 1.277 20 0 DDADHP CN1CCC([N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)CC1 ZINC001246986416 893056479 /nfs/dbraw/zinc/05/64/79/893056479.db2.gz BLMTWNYYVDPCSS-QGZVFWFLSA-N 2 3 306.498 1.277 20 0 DDADHP [NH3+]CCCN1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256851043 897601242 /nfs/dbraw/zinc/60/12/42/897601242.db2.gz PLKBNIRAXXRBFV-UHFFFAOYSA-N 2 3 303.454 1.017 20 0 DDADHP CN1CCN(CC2(C)CC[NH+](CC3CC[NH2+]CC3)CC2)CC1 ZINC000262030987 407718277 /nfs/dbraw/zinc/71/82/77/407718277.db2.gz XEVNHIPXHCJMJD-UHFFFAOYSA-N 2 3 308.514 1.336 20 0 DDADHP CC(C)[NH+]1CCC(N2CCN(CC3CC[NH2+]CC3)CC2)CC1 ZINC000346973739 410286497 /nfs/dbraw/zinc/28/64/97/410286497.db2.gz IBVLLSSLVRIOPK-UHFFFAOYSA-N 2 3 308.514 1.476 20 0 DDADHP C[C@@H]1CN(CC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420318320 420203650 /nfs/dbraw/zinc/20/36/50/420203650.db2.gz NXFMYLSHQLQPNF-ZACQAIPSSA-N 2 3 309.498 1.807 20 0 DDADHP [NH3+][C@H]1CCC[C@@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000576838371 308343969 /nfs/dbraw/zinc/34/39/69/308343969.db2.gz QIDCIZDCOMLHBZ-ZWKOTPCHSA-N 2 3 316.493 1.839 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000423034180 534075007 /nfs/dbraw/zinc/07/50/07/534075007.db2.gz PNMPWCBYOFCNRL-ATZDWAIDSA-N 2 3 317.477 1.731 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000423034180 534075012 /nfs/dbraw/zinc/07/50/12/534075012.db2.gz PNMPWCBYOFCNRL-ATZDWAIDSA-N 2 3 317.477 1.731 20 0 DDADHP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000903740765 711263454 /nfs/dbraw/zinc/26/34/54/711263454.db2.gz YPJYDFXZKNUHNR-BBWFWOEESA-N 2 3 309.498 1.807 20 0 DDADHP CC[N@H+]1CC[C@H](N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000903740765 711263458 /nfs/dbraw/zinc/26/34/58/711263458.db2.gz YPJYDFXZKNUHNR-BBWFWOEESA-N 2 3 309.498 1.807 20 0 DDADHP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925844166 714948913 /nfs/dbraw/zinc/94/89/13/714948913.db2.gz WNAWYZGUHLFUEQ-IEBWSBKVSA-N 2 3 318.509 1.610 20 0 DDADHP CC1(C)C[C@H](NCCOCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171971915 776563219 /nfs/dbraw/zinc/56/32/19/776563219.db2.gz LEKBDWCBKLTRNX-QGZVFWFLSA-N 2 3 305.466 1.995 20 0 DDADHP CC1(C)C[C@H](NCCOCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171971915 776563230 /nfs/dbraw/zinc/56/32/30/776563230.db2.gz LEKBDWCBKLTRNX-QGZVFWFLSA-N 2 3 305.466 1.995 20 0 DDADHP CN(C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058073 866334470 /nfs/dbraw/zinc/33/44/70/866334470.db2.gz MPTOIXVQPCCWJV-PVAVHDDUSA-N 2 3 322.497 1.179 20 0 DDADHP [NH3+]CC1CN([C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC001236077907 889096396 /nfs/dbraw/zinc/09/63/96/889096396.db2.gz DOGNOSKPKXAYSJ-SFHVURJKSA-N 2 3 300.450 1.145 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)C[C@@]2(O)CCCNC2)CC1 ZINC001246071955 892401088 /nfs/dbraw/zinc/40/10/88/892401088.db2.gz WCOTUHQZUNYRHS-KZNAEPCWSA-N 2 3 318.465 1.268 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C[C@@]2(O)CCCNC2)CC1 ZINC001246071955 892401091 /nfs/dbraw/zinc/40/10/91/892401091.db2.gz WCOTUHQZUNYRHS-KZNAEPCWSA-N 2 3 318.465 1.268 20 0 DDADHP c1ccc(CC2([NH2+][C@@H]3CCC4(C[NH2+]C4)C3)CCNCC2)nc1 ZINC001246367350 892575672 /nfs/dbraw/zinc/57/56/72/892575672.db2.gz AKZKBVJCVCEFOL-MRXNPFEDSA-N 2 3 300.450 1.478 20 0 DDADHP CC(C)[C@H]1C[C@H](N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CC[NH2+]1 ZINC001246492930 892655052 /nfs/dbraw/zinc/65/50/52/892655052.db2.gz FICJQGGBCJGPLN-SJLPKXTDSA-N 2 3 304.482 1.805 20 0 DDADHP C[C@@H]1C[C@H](NCCN(C)CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256528205 897461054 /nfs/dbraw/zinc/46/10/54/897461054.db2.gz CKKNHCVTDFCCCF-SJLPKXTDSA-N 2 3 304.482 1.520 20 0 DDADHP C[C@@H]1C[C@H](NCCN(C)CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256528205 897461064 /nfs/dbraw/zinc/46/10/64/897461064.db2.gz CKKNHCVTDFCCCF-SJLPKXTDSA-N 2 3 304.482 1.520 20 0 DDADHP CCC[NH+]1CCC(N2CCN(CC3CC[NH+](C)CC3)CC2)CC1 ZINC001258776682 898318850 /nfs/dbraw/zinc/31/88/50/898318850.db2.gz FWSNHHGOHDBJFD-UHFFFAOYSA-N 2 3 322.541 1.820 20 0 DDADHP C[NH+](C)CCOCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423067690 227334811 /nfs/dbraw/zinc/33/48/11/227334811.db2.gz HVGDXILGNHUXRT-SJLPKXTDSA-N 2 3 319.449 1.410 20 0 DDADHP C[NH2+]CCC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420305182 420193267 /nfs/dbraw/zinc/19/32/67/420193267.db2.gz JVXDOHIKNGYKIS-ROUUACIJSA-N 2 3 305.466 1.239 20 0 DDADHP C[NH2+]CCC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420305182 420193271 /nfs/dbraw/zinc/19/32/71/420193271.db2.gz JVXDOHIKNGYKIS-ROUUACIJSA-N 2 3 305.466 1.239 20 0 DDADHP NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000873231890 707778724 /nfs/dbraw/zinc/77/87/24/707778724.db2.gz SLDFLBZHNCLUMQ-CVEARBPZSA-N 2 3 322.497 1.086 20 0 DDADHP C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001206767616 872562796 /nfs/dbraw/zinc/56/27/96/872562796.db2.gz CNMNEDTUKOZFKY-VQIMIIECSA-N 2 3 316.493 1.651 20 0 DDADHP CC[NH+]1CCC(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC001364641669 889103792 /nfs/dbraw/zinc/10/37/92/889103792.db2.gz YCQAMKQFUYZCKE-OKZBNKHCSA-N 2 3 309.498 1.902 20 0 DDADHP O[C@@]1(C[NH2+][C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CCCNC1 ZINC001246004515 892323113 /nfs/dbraw/zinc/32/31/13/892323113.db2.gz ZJYLYLMORYRCTD-MSOLQXFVSA-N 2 3 321.440 1.571 20 0 DDADHP OC1(C[NH2+]C2(c3cccc(Cl)c3)CCNCC2)CC[NH2+]CC1 ZINC001246008509 892328189 /nfs/dbraw/zinc/32/81/89/892328189.db2.gz UMYIFPWCHYWRPH-UHFFFAOYSA-N 2 3 323.868 1.623 20 0 DDADHP Cc1ccccc1CN(C[C@@]1(O)CC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066770 892399235 /nfs/dbraw/zinc/39/92/35/892399235.db2.gz BXMAGWBTQAFIMZ-GUDVDZBRSA-N 2 3 317.477 1.791 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246157048 892451952 /nfs/dbraw/zinc/45/19/52/892451952.db2.gz POIYPRXKWZPDCP-DFGXFYAUSA-N 2 3 309.498 1.901 20 0 DDADHP C1O[C@]2(C[C@@H]1N[C@@H]1CC[NH2+]C3(CCCCC3)C1)CCC[NH2+]C2 ZINC001246256416 892502289 /nfs/dbraw/zinc/50/22/89/892502289.db2.gz PGLBJVPWQDDSOE-RYRKJORJSA-N 2 3 307.482 1.942 20 0 DDADHP c1ccc([C@@H]2C[C@H](N[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)CC[NH2+]2)cc1 ZINC001246252182 892502827 /nfs/dbraw/zinc/50/28/27/892502827.db2.gz ABZJLDNBDRBTPU-AKHDSKFASA-N 2 3 315.461 1.980 20 0 DDADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246418099 892614272 /nfs/dbraw/zinc/61/42/72/892614272.db2.gz BCYJHNLRGOQLGP-CVEARBPZSA-N 2 3 302.466 1.724 20 0 DDADHP COC(=O)c1ccc(C[C@@H](C)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001246455584 892637169 /nfs/dbraw/zinc/63/71/69/892637169.db2.gz GROYQUGZEUNYEF-OAHLLOKOSA-N 2 3 321.465 1.712 20 0 DDADHP [NH2+]=C(NC1CCN(CCc2ccccc2)CC1)SCC[NH3+] ZINC001258135160 898081946 /nfs/dbraw/zinc/08/19/46/898081946.db2.gz PVRZQGDUBYHJDG-UHFFFAOYSA-N 2 3 306.479 1.910 20 0 DDADHP c1cc(N2CCNCC2)cc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000635012876 422764777 /nfs/dbraw/zinc/76/47/77/422764777.db2.gz WMVRNNHZIHLMHM-QLFBSQMISA-N 2 3 301.438 1.291 20 0 DDADHP CCCN1CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000415052394 419923333 /nfs/dbraw/zinc/92/33/33/419923333.db2.gz LAONTIFBMCHYPI-UHFFFAOYSA-N 2 3 308.514 1.667 20 0 DDADHP CCCN1CCC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000415052394 419923337 /nfs/dbraw/zinc/92/33/37/419923337.db2.gz LAONTIFBMCHYPI-UHFFFAOYSA-N 2 3 308.514 1.667 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420320425 420205920 /nfs/dbraw/zinc/20/59/20/420205920.db2.gz QFFMGQMADPRUCI-CEXWTWQISA-N 2 3 322.541 1.867 20 0 DDADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420320425 420205927 /nfs/dbraw/zinc/20/59/27/420205927.db2.gz QFFMGQMADPRUCI-CEXWTWQISA-N 2 3 322.541 1.867 20 0 DDADHP COc1ccc([C@H](C[NH3+])CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000420313971 295241317 /nfs/dbraw/zinc/24/13/17/295241317.db2.gz UVRBIFDFDCMIEV-MVJTYMMSSA-N 2 3 303.450 1.797 20 0 DDADHP [NH3+]C1CCN(c2cccc(NCC34CC[NH+](CC3)CC4)n2)CC1 ZINC001158829110 864925208 /nfs/dbraw/zinc/92/52/08/864925208.db2.gz YBKDEGUWCPVEGO-UHFFFAOYSA-N 2 3 315.465 1.907 20 0 DDADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C[C@H]2C1 ZINC001161175252 866423910 /nfs/dbraw/zinc/42/39/10/866423910.db2.gz JNEUIZJPQKKRIH-ZACQAIPSSA-N 2 3 324.513 1.282 20 0 DDADHP C[C@H]1[C@@H](C[NH3+])CCCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001205902189 871913893 /nfs/dbraw/zinc/91/38/93/871913893.db2.gz IJNBBSGVVXQYJI-DOTOQJQBSA-N 2 3 302.466 1.655 20 0 DDADHP C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001206770821 872563074 /nfs/dbraw/zinc/56/30/74/872563074.db2.gz TUNGARMDVXNNCC-CVEARBPZSA-N 2 3 302.466 1.655 20 0 DDADHP C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001206771316 872563743 /nfs/dbraw/zinc/56/37/43/872563743.db2.gz VYGKNTYZFBYMFM-RDJZCZTQSA-N 2 3 302.466 1.655 20 0 DDADHP c1ccc([C@@]23CCNC[C@@H]2C[N@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC001235365239 888591573 /nfs/dbraw/zinc/59/15/73/888591573.db2.gz NJJADGXXXDTVNS-SLHNCBLASA-N 2 3 311.473 1.705 20 0 DDADHP c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC001235365239 888591584 /nfs/dbraw/zinc/59/15/84/888591584.db2.gz NJJADGXXXDTVNS-SLHNCBLASA-N 2 3 311.473 1.705 20 0 DDADHP CCOC(=O)C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC[NH2+]CC1 ZINC001246227473 892490720 /nfs/dbraw/zinc/49/07/20/892490720.db2.gz LBWBOIHPXIANNR-JKSUJKDBSA-N 2 3 323.481 1.572 20 0 DDADHP [NH3+]CCOCCOCCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246284094 892514634 /nfs/dbraw/zinc/51/46/34/892514634.db2.gz KNBAFIGQRWYLEA-IRXDYDNUSA-N 2 3 307.438 1.061 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246654398 892769862 /nfs/dbraw/zinc/76/98/62/892769862.db2.gz HRGXYHGSXXYLKO-YDHLFZDLSA-N 2 3 317.399 1.992 20 0 DDADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246654398 892769873 /nfs/dbraw/zinc/76/98/73/892769873.db2.gz HRGXYHGSXXYLKO-YDHLFZDLSA-N 2 3 317.399 1.992 20 0 DDADHP CCOC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CCC12C[NH2+]C2 ZINC001247004440 893073150 /nfs/dbraw/zinc/07/31/50/893073150.db2.gz CEJQQVOGAOUNED-FXUDXRNXSA-N 2 3 321.465 1.134 20 0 DDADHP CCOC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CCC12C[NH2+]C2 ZINC001247004440 893073171 /nfs/dbraw/zinc/07/31/71/893073171.db2.gz CEJQQVOGAOUNED-FXUDXRNXSA-N 2 3 321.465 1.134 20 0 DDADHP CCOC(=O)[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC12C[NH2+]C2 ZINC001247004440 893073193 /nfs/dbraw/zinc/07/31/93/893073193.db2.gz CEJQQVOGAOUNED-FXUDXRNXSA-N 2 3 321.465 1.134 20 0 DDADHP C[N@@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H]2CCC[C@@H]21 ZINC000635008365 422764332 /nfs/dbraw/zinc/76/43/32/422764332.db2.gz DGDNIOHCEKIPSB-IKGGRYGDSA-N 2 3 315.465 1.776 20 0 DDADHP C[N@H+]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H]2CCC[C@@H]21 ZINC000635008365 422764336 /nfs/dbraw/zinc/76/43/36/422764336.db2.gz DGDNIOHCEKIPSB-IKGGRYGDSA-N 2 3 315.465 1.776 20 0 DDADHP N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2ccccc21 ZINC000873292385 707800896 /nfs/dbraw/zinc/80/08/96/707800896.db2.gz AUKLVTZKKGAHMZ-IAOVAPTHSA-N 2 3 301.434 1.880 20 0 DDADHP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C[C@@H]2C1 ZINC001161175251 866424190 /nfs/dbraw/zinc/42/41/90/866424190.db2.gz JNEUIZJPQKKRIH-ULQDDVLXSA-N 2 3 324.513 1.282 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001219022820 877878006 /nfs/dbraw/zinc/87/80/06/877878006.db2.gz VHCRPWSWFCFDLR-KRWDZBQOSA-N 2 3 320.481 1.788 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219704004 878466082 /nfs/dbraw/zinc/46/60/82/878466082.db2.gz UBLKNHCRANUNEC-KRWDZBQOSA-N 2 3 318.465 1.008 20 0 DDADHP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001219999192 878641975 /nfs/dbraw/zinc/64/19/75/878641975.db2.gz MPRDDQCFMONQBH-DLBZAZTESA-N 2 3 318.465 1.396 20 0 DDADHP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001219999092 878642020 /nfs/dbraw/zinc/64/20/20/878642020.db2.gz KBAWXNBILXLPCX-CVEARBPZSA-N 2 3 304.438 1.006 20 0 DDADHP c1nc(C[NH2+]C2CCCC2)c2n1CCCN(CCC1C[NH2+]C1)C2 ZINC001235646641 888835773 /nfs/dbraw/zinc/83/57/73/888835773.db2.gz RKBJLGQIKMXIMC-UHFFFAOYSA-N 2 3 317.481 1.731 20 0 DDADHP C[C@@]1(C[NH3+])CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001236605453 889268809 /nfs/dbraw/zinc/26/88/09/889268809.db2.gz UTHUALNCZLUFQD-SFHVURJKSA-N 2 3 302.466 1.263 20 0 DDADHP N[C@H]1CC[N@@H+](C2CCN(C[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC001236616891 889272896 /nfs/dbraw/zinc/27/28/96/889272896.db2.gz RORAHMWDLXYSJX-DLBZAZTESA-N 2 3 302.466 1.054 20 0 DDADHP N[C@H]1CC[N@H+](C2CCN(C[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC001236616891 889272909 /nfs/dbraw/zinc/27/29/09/889272909.db2.gz RORAHMWDLXYSJX-DLBZAZTESA-N 2 3 302.466 1.054 20 0 DDADHP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3N3CC[NH2+]CC3)C[C@@H]12 ZINC001236818915 889372309 /nfs/dbraw/zinc/37/23/09/889372309.db2.gz KYRSUZINARZIJT-DJIMGWMZSA-N 2 3 300.450 1.265 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246250024 892499894 /nfs/dbraw/zinc/49/98/94/892499894.db2.gz SNGQNXKRKRDPEU-JYJNAYRXSA-N 2 3 309.498 1.901 20 0 DDADHP [NH3+]CCNCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246407775 892607190 /nfs/dbraw/zinc/60/71/90/892607190.db2.gz ZUTCPEKBYQLHHK-BCDXTJNWSA-N 2 3 302.466 1.320 20 0 DDADHP [NH3+]CCNCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246407775 892607226 /nfs/dbraw/zinc/60/72/26/892607226.db2.gz ZUTCPEKBYQLHHK-BCDXTJNWSA-N 2 3 302.466 1.320 20 0 DDADHP [NH3+][C@H]1CCN(C2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)C1 ZINC001246967205 893028401 /nfs/dbraw/zinc/02/84/01/893028401.db2.gz LXKGTLBCLGZDNM-FUHWJXTLSA-N 2 3 320.525 1.939 20 0 DDADHP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414716504 224378579 /nfs/dbraw/zinc/37/85/79/224378579.db2.gz ZZKUTHPGXWSWIE-KRWDZBQOSA-N 2 3 324.513 1.238 20 0 DDADHP C[NH2+]CCOCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000629529941 422713047 /nfs/dbraw/zinc/71/30/47/422713047.db2.gz QYZYMHGWZTYUIU-AEFFLSMTSA-N 2 3 305.466 1.723 20 0 DDADHP C[NH2+]CCOCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629529941 422713054 /nfs/dbraw/zinc/71/30/54/422713054.db2.gz QYZYMHGWZTYUIU-AEFFLSMTSA-N 2 3 305.466 1.723 20 0 DDADHP C[NH2+]CCOCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629529941 422713059 /nfs/dbraw/zinc/71/30/59/422713059.db2.gz QYZYMHGWZTYUIU-AEFFLSMTSA-N 2 3 305.466 1.723 20 0 DDADHP CC(C)N1CCN(CCC[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000571325455 308194379 /nfs/dbraw/zinc/19/43/79/308194379.db2.gz MYHPJLWVZJSEEU-UHFFFAOYSA-N 2 3 308.514 1.478 20 0 DDADHP Cc1c(C[C@@H](C[NH3+])CNCc2ccc(C[NH3+])cc2)cnn1C ZINC000903931851 711339121 /nfs/dbraw/zinc/33/91/21/711339121.db2.gz JTLIXYBKRCITHH-INIZCTEOSA-N 2 3 301.438 1.094 20 0 DDADHP N[C@H](CCC[NH3+])C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220259216 878862657 /nfs/dbraw/zinc/86/26/57/878862657.db2.gz YUJXGKPVEPKYON-MRXNPFEDSA-N 2 3 310.486 1.214 20 0 DDADHP O[C@]1(C[NH2+][C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CCCNC1 ZINC001246004516 892323451 /nfs/dbraw/zinc/32/34/51/892323451.db2.gz ZJYLYLMORYRCTD-QZTJIDSGSA-N 2 3 321.440 1.571 20 0 DDADHP Cc1ccccc1CN(C[C@]1(O)CC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066764 892396505 /nfs/dbraw/zinc/39/65/05/892396505.db2.gz BXMAGWBTQAFIMZ-FHWLQOOXSA-N 2 3 317.477 1.791 20 0 DDADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001246145834 892441497 /nfs/dbraw/zinc/44/14/97/892441497.db2.gz FHLWSTLIZACBCG-YYIAUSFCSA-N 2 3 307.482 1.655 20 0 DDADHP [NH3+]C1(c2ccccc2)CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246439256 892628076 /nfs/dbraw/zinc/62/80/76/892628076.db2.gz WUJAQBIXGPANMS-INIZCTEOSA-N 2 3 300.450 1.030 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN[C@H](CC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677431 892781116 /nfs/dbraw/zinc/78/11/16/892781116.db2.gz DQTUAVWRHVAMCJ-DFGXFYAUSA-N 2 3 323.481 1.382 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCN[C@H](CC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677431 892781131 /nfs/dbraw/zinc/78/11/31/892781131.db2.gz DQTUAVWRHVAMCJ-DFGXFYAUSA-N 2 3 323.481 1.382 20 0 DDADHP C(C1CC[NH2+]CC1)C1CC[NH+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246980265 893049008 /nfs/dbraw/zinc/04/90/08/893049008.db2.gz QZJGGDDYXKVKNY-KRWDZBQOSA-N 2 3 307.482 1.609 20 0 DDADHP CCOC(=O)[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C(C)C)C2)CCC12C[NH2+]C2 ZINC001247006288 893075062 /nfs/dbraw/zinc/07/50/62/893075062.db2.gz IDMFAUHMOALZCS-OWCLPIDISA-N 2 3 323.481 1.238 20 0 DDADHP N[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc21 ZINC000333778903 249103416 /nfs/dbraw/zinc/10/34/16/249103416.db2.gz DKFFLLHRGMLKTQ-FUICEZJUSA-N 2 3 314.477 1.937 20 0 DDADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422744209 532964031 /nfs/dbraw/zinc/96/40/31/532964031.db2.gz SPCAQGUFCOBMAG-CABCVRRESA-N 2 3 305.466 1.859 20 0 DDADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000422904426 227253026 /nfs/dbraw/zinc/25/30/26/227253026.db2.gz XNVCFMHRTPDPFK-BMGDILEWSA-N 2 3 321.465 1.469 20 0 DDADHP O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422991924 227300048 /nfs/dbraw/zinc/30/00/48/227300048.db2.gz QLQICCHGNMJCLS-MTHXSQLBSA-N 2 3 321.509 1.875 20 0 DDADHP NCc1cn([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)nn1 ZINC000647992597 423157490 /nfs/dbraw/zinc/15/74/90/423157490.db2.gz RDNVTQPFIISECX-INIZCTEOSA-N 2 3 306.458 1.154 20 0 DDADHP NCc1cn([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)nn1 ZINC000647992597 423157496 /nfs/dbraw/zinc/15/74/96/423157496.db2.gz RDNVTQPFIISECX-INIZCTEOSA-N 2 3 306.458 1.154 20 0 DDADHP COC[C@@H](CCC[NH3+])NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423477306 420058648 /nfs/dbraw/zinc/05/86/48/420058648.db2.gz SJJGDHUSEHMRCZ-CGTJXYLNSA-N 2 3 323.456 1.862 20 0 DDADHP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423477306 420058651 /nfs/dbraw/zinc/05/86/51/420058651.db2.gz SJJGDHUSEHMRCZ-CGTJXYLNSA-N 2 3 323.456 1.862 20 0 DDADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)CC[NH2+]CC1 ZINC000422698577 528608414 /nfs/dbraw/zinc/60/84/14/528608414.db2.gz ZZDSJIVEJBDOKJ-CABCVRRESA-N 2 3 311.470 1.239 20 0 DDADHP C[C@H]1C[C@@H](C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC[NH2+]1 ZINC000873215611 707772136 /nfs/dbraw/zinc/77/21/36/707772136.db2.gz DWICIIKSFJKZBP-ZFWWWQNUSA-N 2 3 314.437 1.204 20 0 DDADHP N[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2ccccc21 ZINC000873292386 707800678 /nfs/dbraw/zinc/80/06/78/707800678.db2.gz AUKLVTZKKGAHMZ-KBRIMQKVSA-N 2 3 301.434 1.880 20 0 DDADHP Cc1c(C[C@@H](C[NH3+])CN2CCC(CC[NH+](C)C)CC2)cnn1C ZINC000903885123 711316433 /nfs/dbraw/zinc/31/64/33/711316433.db2.gz DXYJWTPPVJVBRC-KRWDZBQOSA-N 2 3 321.513 1.510 20 0 DDADHP C[N@@H+]1CCC[C@@H](N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000923325974 714315434 /nfs/dbraw/zinc/31/54/34/714315434.db2.gz DGYGQIMKERGAAQ-XVLXNVKGSA-N 2 3 320.525 1.619 20 0 DDADHP C[N@H+]1CCC[C@@H](N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000923325974 714315435 /nfs/dbraw/zinc/31/54/35/714315435.db2.gz DGYGQIMKERGAAQ-XVLXNVKGSA-N 2 3 320.525 1.619 20 0 DDADHP C([C@H]1CC2(C[NH2+]C2)CO1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000923372169 714331508 /nfs/dbraw/zinc/33/15/08/714331508.db2.gz FBCHYGOTJKILBR-DJIMGWMZSA-N 2 3 305.466 1.314 20 0 DDADHP C([C@H]1CC2(C[NH2+]C2)CO1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000923372169 714331509 /nfs/dbraw/zinc/33/15/09/714331509.db2.gz FBCHYGOTJKILBR-DJIMGWMZSA-N 2 3 305.466 1.314 20 0 DDADHP C([NH2+][C@@H]1CCNC12CCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000925712720 714919723 /nfs/dbraw/zinc/91/97/23/714919723.db2.gz IPRREXZVQGOKMI-QGZVFWFLSA-N 2 3 307.482 1.752 20 0 DDADHP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206163889 776742600 /nfs/dbraw/zinc/74/26/00/776742600.db2.gz HCYNFGWYOKFOQV-IAGOWNOFSA-N 2 3 309.429 1.888 20 0 DDADHP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206163889 776742603 /nfs/dbraw/zinc/74/26/03/776742603.db2.gz HCYNFGWYOKFOQV-IAGOWNOFSA-N 2 3 309.429 1.888 20 0 DDADHP c1ccc2c(c1)C[NH2+]CC21CC[NH+](CC[C@H]2CNCCO2)CC1 ZINC001235086195 888403985 /nfs/dbraw/zinc/40/39/85/888403985.db2.gz IWFFGMMHUOSIAJ-KRWDZBQOSA-N 2 3 315.461 1.502 20 0 DDADHP [NH3+]C12CC(C[N@@H+]3CCCn4cnc(CNC5CCC5)c4C3)(C1)C2 ZINC001235564136 888747705 /nfs/dbraw/zinc/74/77/05/888747705.db2.gz HOQQTKGBMHFYRB-UHFFFAOYSA-N 2 3 315.465 1.612 20 0 DDADHP [NH3+]C12CC(C[N@H+]3CCCn4cnc(CNC5CCC5)c4C3)(C1)C2 ZINC001235564136 888747716 /nfs/dbraw/zinc/74/77/16/888747716.db2.gz HOQQTKGBMHFYRB-UHFFFAOYSA-N 2 3 315.465 1.612 20 0 DDADHP COc1ccc(C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CCNCC2)cc1 ZINC001236440584 889233653 /nfs/dbraw/zinc/23/36/53/889233653.db2.gz NLRXKCGQNGQJMY-BWTSREIZSA-N 2 3 315.461 1.715 20 0 DDADHP COc1ccc(C[N@@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CCNCC2)cc1 ZINC001236440584 889233672 /nfs/dbraw/zinc/23/36/72/889233672.db2.gz NLRXKCGQNGQJMY-BWTSREIZSA-N 2 3 315.461 1.715 20 0 DDADHP C1OC2(C[C@@H]1N[C@H]1CC[NH2+]C3(CCCCC3)C1)CC[NH2+]CC2 ZINC001246181793 892467268 /nfs/dbraw/zinc/46/72/68/892467268.db2.gz SAXSVWDQWKJECD-HOTGVXAUSA-N 2 3 307.482 1.942 20 0 DDADHP [NH3+]CCOCCOCCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246284096 892513606 /nfs/dbraw/zinc/51/36/06/892513606.db2.gz KNBAFIGQRWYLEA-SJORKVTESA-N 2 3 307.438 1.061 20 0 DDADHP COC(=O)CC1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246362708 892570797 /nfs/dbraw/zinc/57/07/97/892570797.db2.gz GYBHCMMZQRNQDP-CQSZACIVSA-N 2 3 309.454 1.184 20 0 DDADHP CC[C@@H]1C[C@@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246422319 892616943 /nfs/dbraw/zinc/61/69/43/892616943.db2.gz HYKHWNITUPWFGG-SJORKVTESA-N 2 3 302.466 1.823 20 0 DDADHP C[C@H]1CC([NH2+]CC2(c3cccnc3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246421584 892617273 /nfs/dbraw/zinc/61/72/73/892617273.db2.gz DVDMNDQQHQQCAK-GJZGRUSLSA-N 2 3 302.466 1.821 20 0 DDADHP Fc1cccc(C2([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246436332 892622444 /nfs/dbraw/zinc/62/24/44/892622444.db2.gz KJCCFJZZLINICH-INIZCTEOSA-N 2 3 318.440 1.088 20 0 DDADHP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CCCNCCC[NH3+])CCN1 ZINC001246454928 892635572 /nfs/dbraw/zinc/63/55/72/892635572.db2.gz VGUSUCOMZZBDPW-FUHWJXTLSA-N 2 3 322.472 1.845 20 0 DDADHP CC[NH+](CC)C1CCC(N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618472 892741332 /nfs/dbraw/zinc/74/13/32/892741332.db2.gz LFRBKIJFINLAHR-FOIPXRHGSA-N 2 3 308.514 1.665 20 0 DDADHP CC[NH+](CC)C1CCC([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246618472 892741342 /nfs/dbraw/zinc/74/13/42/892741342.db2.gz LFRBKIJFINLAHR-FOIPXRHGSA-N 2 3 308.514 1.665 20 0 DDADHP CC[NH+](CC)C1CCC([N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246618472 892741346 /nfs/dbraw/zinc/74/13/46/892741346.db2.gz LFRBKIJFINLAHR-FOIPXRHGSA-N 2 3 308.514 1.665 20 0 DDADHP C(CN1CCCC1)[C@@H]1CCCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787549 892900789 /nfs/dbraw/zinc/90/07/89/892900789.db2.gz QIYJFTUPUZXBDG-DLBZAZTESA-N 2 3 306.498 1.421 20 0 DDADHP C(CN1CCCC1)[C@@H]1CCCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787549 892900796 /nfs/dbraw/zinc/90/07/96/892900796.db2.gz QIYJFTUPUZXBDG-DLBZAZTESA-N 2 3 306.498 1.421 20 0 DDADHP CC[C@@H]1C[C@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)C[C@H](CC)[NH2+]1 ZINC001246969179 893031204 /nfs/dbraw/zinc/03/12/04/893031204.db2.gz UXBDWMRTMWXICN-CBZIJGRNSA-N 2 3 308.514 1.793 20 0 DDADHP C[NH+]1CCC(CN2CCN([C@@H]3CC4CC[NH+](CC4)C3)CC2)CC1 ZINC001254868255 896641361 /nfs/dbraw/zinc/64/13/61/896641361.db2.gz NLRAOUSKZCACAQ-LJQANCHMSA-N 2 3 320.525 1.430 20 0 DDADHP C[N@H+](CC1CC[NH+](C)CC1)C1CCC(N2CCOCC2)CC1 ZINC001256695367 897546335 /nfs/dbraw/zinc/54/63/35/897546335.db2.gz XYUPANHWXBKTSP-UHFFFAOYSA-N 2 3 309.498 1.903 20 0 DDADHP C[N@@H+](CC1CC[NH+](C)CC1)C1CCC(N2CCOCC2)CC1 ZINC001256695367 897546337 /nfs/dbraw/zinc/54/63/37/897546337.db2.gz XYUPANHWXBKTSP-UHFFFAOYSA-N 2 3 309.498 1.903 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422820562 227199960 /nfs/dbraw/zinc/19/99/60/227199960.db2.gz RGFJVBGFSZJFOA-RCCFBDPRSA-N 2 3 308.514 1.523 20 0 DDADHP C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000580902714 421860955 /nfs/dbraw/zinc/86/09/55/421860955.db2.gz MYHRRVFLLIZELP-DLBZAZTESA-N 2 3 318.465 1.338 20 0 DDADHP C[NH+](C)CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000315693267 271015213 /nfs/dbraw/zinc/01/52/13/271015213.db2.gz DVKSKDQSLRIRGU-ROUUACIJSA-N 2 3 305.466 1.191 20 0 DDADHP C[NH+](C)CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000315693267 271015216 /nfs/dbraw/zinc/01/52/16/271015216.db2.gz DVKSKDQSLRIRGU-ROUUACIJSA-N 2 3 305.466 1.191 20 0 DDADHP CCOC(=O)C1([C@H](C)NCC2([NH3+])CCCCC2)CC[NH2+]CC1 ZINC000423186137 276273807 /nfs/dbraw/zinc/27/38/07/276273807.db2.gz WMHADPCAVGIVMD-AWEZNQCLSA-N 2 3 311.470 1.559 20 0 DDADHP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505848 288102001 /nfs/dbraw/zinc/10/20/01/288102001.db2.gz IAHAWGSGRGZLSV-YFVGIKETSA-N 2 3 308.514 1.521 20 0 DDADHP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505848 288102002 /nfs/dbraw/zinc/10/20/02/288102002.db2.gz IAHAWGSGRGZLSV-YFVGIKETSA-N 2 3 308.514 1.521 20 0 DDADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422743092 527846671 /nfs/dbraw/zinc/84/66/71/527846671.db2.gz QWRNRGCYOBHJST-ZTFGCOKTSA-N 2 3 305.466 1.980 20 0 DDADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422743092 527846674 /nfs/dbraw/zinc/84/66/74/527846674.db2.gz QWRNRGCYOBHJST-ZTFGCOKTSA-N 2 3 305.466 1.980 20 0 DDADHP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000903740767 711263185 /nfs/dbraw/zinc/26/31/85/711263185.db2.gz YPJYDFXZKNUHNR-ULQDDVLXSA-N 2 3 309.498 1.807 20 0 DDADHP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000903740767 711263187 /nfs/dbraw/zinc/26/31/87/711263187.db2.gz YPJYDFXZKNUHNR-ULQDDVLXSA-N 2 3 309.498 1.807 20 0 DDADHP CN(CCN1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000904318756 711840913 /nfs/dbraw/zinc/84/09/13/711840913.db2.gz VOFOVIRMQGZXPI-KDURUIRLSA-N 2 3 316.493 1.473 20 0 DDADHP COCC1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC[NH2+]CC1 ZINC000925699653 714917184 /nfs/dbraw/zinc/91/71/84/714917184.db2.gz LNBMWHZCGWGXJU-IAGOWNOFSA-N 2 3 309.498 1.761 20 0 DDADHP CCOC(=O)C1([C@H](C)N2CCC([NH3+])(CC)CC2)CC[NH2+]CC1 ZINC000925759768 714929229 /nfs/dbraw/zinc/92/92/29/714929229.db2.gz HRXKEPZDWMDRRR-AWEZNQCLSA-N 2 3 311.470 1.511 20 0 DDADHP C[C@H]1C[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)CC[N@@H+]1C ZINC000925810058 714941049 /nfs/dbraw/zinc/94/10/49/714941049.db2.gz UZTXMDSQCONZRN-QFBILLFUSA-N 2 3 316.493 1.664 20 0 DDADHP C[C@H]1C[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)CC[N@H+]1C ZINC000925810058 714941051 /nfs/dbraw/zinc/94/10/51/714941051.db2.gz UZTXMDSQCONZRN-QFBILLFUSA-N 2 3 316.493 1.664 20 0 DDADHP CN(C)CCN(C(=O)C12CCC([NH3+])(CC1)CC2)[C@@H]1CCC[NH2+]C1 ZINC001161449718 866673943 /nfs/dbraw/zinc/67/39/43/866673943.db2.gz QNAUMHQRMHNGIJ-FAEJEUNOSA-N 2 3 322.497 1.180 20 0 DDADHP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)([NH3+])CC3)cn2)CC1 ZINC001205280887 871483772 /nfs/dbraw/zinc/48/37/72/871483772.db2.gz LAJPWPCSWHEGDV-GOSISDBHSA-N 2 3 317.481 1.537 20 0 DDADHP CN1CCN(c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)cn2)CC1 ZINC001205280887 871483785 /nfs/dbraw/zinc/48/37/85/871483785.db2.gz LAJPWPCSWHEGDV-GOSISDBHSA-N 2 3 317.481 1.537 20 0 DDADHP O[C@]1(C[NH2+][C@H]2CC3(CC[NH2+]CC3)c3ccccc32)CCCNC1 ZINC001245997727 892318290 /nfs/dbraw/zinc/31/82/90/892318290.db2.gz VKENCACSGCFTFF-PKOBYXMFSA-N 2 3 315.461 1.457 20 0 DDADHP COC(=O)C1(CN[C@@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]CC1 ZINC001246095952 892415882 /nfs/dbraw/zinc/41/58/82/892415882.db2.gz HKKLFZDXYINQKS-OAHLLOKOSA-N 2 3 323.481 1.574 20 0 DDADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246144306 892438864 /nfs/dbraw/zinc/43/88/64/892438864.db2.gz SVZWXFZNNXQULQ-QAETUUGQSA-N 2 3 307.482 1.655 20 0 DDADHP c1ccc(C[C@H]2C[C@@H]([NH2+]C[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)CCN2)cc1 ZINC001246149589 892443901 /nfs/dbraw/zinc/44/39/01/892443901.db2.gz KFOPSFRREOPAFK-LTFXXXRZSA-N 2 3 315.461 1.174 20 0 DDADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001246157682 892450383 /nfs/dbraw/zinc/45/03/83/892450383.db2.gz SVZWXFZNNXQULQ-VVLHAWIVSA-N 2 3 307.482 1.655 20 0 DDADHP O[C@H](C[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246224676 892487736 /nfs/dbraw/zinc/48/77/36/892487736.db2.gz ADRMVVGJOQROAC-CEXWTWQISA-N 2 3 317.477 1.300 20 0 DDADHP F[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246222727 892488399 /nfs/dbraw/zinc/48/83/99/892488399.db2.gz NICYSAAKVDJPNB-VSZNYVQBSA-N 2 3 305.441 1.887 20 0 DDADHP CC1(C)C[C@H]([NH2+]CC2(c3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246423760 892616404 /nfs/dbraw/zinc/61/64/04/892616404.db2.gz QNTXHGZXPFOKAG-MRXNPFEDSA-N 2 3 302.466 1.823 20 0 DDADHP c1cncc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246424831 892619731 /nfs/dbraw/zinc/61/97/31/892619731.db2.gz WXJVQULUSVXSEX-PIIMJCKOSA-N 2 3 314.477 1.966 20 0 DDADHP C1CC2(C[C@@H]1N1CCOC[C@]3(CCC[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246648373 892767045 /nfs/dbraw/zinc/76/70/45/892767045.db2.gz XXFCNMFTDFKBRP-AEFFLSMTSA-N 2 3 307.482 1.611 20 0 DDADHP C1CC2(C[C@@H]1[N@@H+]1CCOC[C@]3(CCCNC3)C1)CC[NH2+]CC2 ZINC001246648373 892767052 /nfs/dbraw/zinc/76/70/52/892767052.db2.gz XXFCNMFTDFKBRP-AEFFLSMTSA-N 2 3 307.482 1.611 20 0 DDADHP C1CC2(C[C@@H]1[N@H+]1CCOC[C@]3(CCCNC3)C1)CC[NH2+]CC2 ZINC001246648373 892767061 /nfs/dbraw/zinc/76/70/61/892767061.db2.gz XXFCNMFTDFKBRP-AEFFLSMTSA-N 2 3 307.482 1.611 20 0 DDADHP C[C@@H]1C[C@H](NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414860693 419844801 /nfs/dbraw/zinc/84/48/01/419844801.db2.gz CZCUUQZSNBFGEL-IEBWSBKVSA-N 2 3 316.493 1.534 20 0 DDADHP C[C@@H]1C[C@H](NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000414860693 419844805 /nfs/dbraw/zinc/84/48/05/419844805.db2.gz CZCUUQZSNBFGEL-IEBWSBKVSA-N 2 3 316.493 1.534 20 0 DDADHP C[NH2+]CCOCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629531594 422712536 /nfs/dbraw/zinc/71/25/36/422712536.db2.gz QFDHNZVXHDVWHU-RDJZCZTQSA-N 2 3 305.422 1.068 20 0 DDADHP C[C@H](CCCC[NH3+])[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000422841421 533845591 /nfs/dbraw/zinc/84/55/91/533845591.db2.gz CYWLRMBFFWMJDS-QGZVFWFLSA-N 2 3 319.497 1.701 20 0 DDADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](N)CCC(C)(C)C)C2 ZINC000904389241 711850922 /nfs/dbraw/zinc/85/09/22/711850922.db2.gz VFVAHDAJYUSNHM-CFAJVAMVSA-N 2 3 311.470 1.352 20 0 DDADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](N)CCC(C)(C)C)C2 ZINC000904389241 711850923 /nfs/dbraw/zinc/85/09/23/711850923.db2.gz VFVAHDAJYUSNHM-CFAJVAMVSA-N 2 3 311.470 1.352 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816987 714942594 /nfs/dbraw/zinc/94/25/94/714942594.db2.gz KOGZJCIJHNXKCE-VQIMIIECSA-N 2 3 316.493 1.570 20 0 DDADHP N[C@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2ccccc21 ZINC000925845083 714949259 /nfs/dbraw/zinc/94/92/59/714949259.db2.gz FBHCKODKVBIPDW-ROUUACIJSA-N 2 3 302.466 1.796 20 0 DDADHP N[C@@H](CCC[NH3+])Nc1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001170899269 771898412 /nfs/dbraw/zinc/89/84/12/771898412.db2.gz IWWFLRFZHFTJIK-WMLDXEAASA-N 2 3 316.453 1.787 20 0 DDADHP N[C@@H](CCC[NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001218860180 877773509 /nfs/dbraw/zinc/77/35/09/877773509.db2.gz SZPANQRMLFNEIZ-INIZCTEOSA-N 2 3 320.437 1.166 20 0 DDADHP c1cc(CN2CCOCC3(CC[NH2+]CC3)C2)cc2c1C[NH2+]C2 ZINC001222407131 880446176 /nfs/dbraw/zinc/44/61/76/880446176.db2.gz DOVHCCLNZPWNIO-UHFFFAOYSA-N 2 3 301.434 1.492 20 0 DDADHP [NH3+][C@@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246016368 892335204 /nfs/dbraw/zinc/33/52/04/892335204.db2.gz KSFQTMLPYKELPO-GOSISDBHSA-N 2 3 317.477 1.827 20 0 DDADHP [NH3+][C@@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246016368 892335221 /nfs/dbraw/zinc/33/52/21/892335221.db2.gz KSFQTMLPYKELPO-GOSISDBHSA-N 2 3 317.477 1.827 20 0 DDADHP CC[C@@H]1C[C@@H](NCC2(C(=O)OC)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246095829 892414913 /nfs/dbraw/zinc/41/49/13/892414913.db2.gz GIXIBEAGDIOJLF-QDMKHBRRSA-N 2 3 311.470 1.428 20 0 DDADHP COc1ccc(C2(N[C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC[NH2+]CC2)cc1 ZINC001246381688 892586137 /nfs/dbraw/zinc/58/61/37/892586137.db2.gz UEHQAHHEDXCGEQ-QLPKVWCKSA-N 2 3 315.461 1.862 20 0 DDADHP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CCCNCCC[NH3+])CCN1 ZINC001246454931 892634842 /nfs/dbraw/zinc/63/48/42/892634842.db2.gz VGUSUCOMZZBDPW-SJLPKXTDSA-N 2 3 322.472 1.845 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH+]3CCC4(CC([NH3+])C4)CC3)C[C@H](C1)N2 ZINC001246605795 892732463 /nfs/dbraw/zinc/73/24/63/892732463.db2.gz WIXXNSOIDCZFQK-PYCGDYPRSA-N 2 3 321.465 1.262 20 0 DDADHP C([C@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246932100 892999934 /nfs/dbraw/zinc/99/99/34/892999934.db2.gz DPQRQCQCHMTLCE-RDJZCZTQSA-N 2 3 307.482 1.752 20 0 DDADHP C([C@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246932100 892999943 /nfs/dbraw/zinc/99/99/43/892999943.db2.gz DPQRQCQCHMTLCE-RDJZCZTQSA-N 2 3 307.482 1.752 20 0 DDADHP CCOC(=O)[C@@H]1CN([C@@H]2CC[NH2+][C@H](C(C)C)C2)CCC12C[NH2+]C2 ZINC001247006290 893074514 /nfs/dbraw/zinc/07/45/14/893074514.db2.gz IDMFAUHMOALZCS-PMPSAXMXSA-N 2 3 323.481 1.238 20 0 DDADHP C[C@@H](C[NH3+])CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000414884815 419857776 /nfs/dbraw/zinc/85/77/76/419857776.db2.gz WJZIRSQTTSXDBL-HNNXBMFYSA-N 2 3 304.482 1.901 20 0 DDADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000665239586 424763873 /nfs/dbraw/zinc/76/38/73/424763873.db2.gz VBCPZYCJTICAGW-QAPCUYQASA-N 2 3 305.466 1.860 20 0 DDADHP CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902321827 710716003 /nfs/dbraw/zinc/71/60/03/710716003.db2.gz XLYMLZMOFCULIA-IRXDYDNUSA-N 2 3 310.530 1.628 20 0 DDADHP C([C@@H]1CCCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903783830 711279102 /nfs/dbraw/zinc/27/91/02/711279102.db2.gz FCJPUZJEEAZOFM-NXHRZFHOSA-N 2 3 306.498 1.277 20 0 DDADHP C([C@@H]1CCCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903783830 711279106 /nfs/dbraw/zinc/27/91/06/711279106.db2.gz FCJPUZJEEAZOFM-NXHRZFHOSA-N 2 3 306.498 1.277 20 0 DDADHP C([C@@H]1CCCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903783830 711279111 /nfs/dbraw/zinc/27/91/11/711279111.db2.gz FCJPUZJEEAZOFM-NXHRZFHOSA-N 2 3 306.498 1.277 20 0 DDADHP C[C@H]([NH3+])[C@@H](Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1 ZINC000925722901 714921330 /nfs/dbraw/zinc/92/13/30/714921330.db2.gz PDZUIPDFJZHXIW-KBXCAEBGSA-N 2 3 311.433 1.992 20 0 DDADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817543 714943167 /nfs/dbraw/zinc/94/31/67/714943167.db2.gz PYPTWJRRHGLRIH-RTBURBONSA-N 2 3 316.493 1.841 20 0 DDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925817022 714943172 /nfs/dbraw/zinc/94/31/72/714943172.db2.gz MCPKHECNGRKXHJ-MSOLQXFVSA-N 2 3 302.466 1.451 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@@H]1CNCCC2 ZINC001222125950 880272843 /nfs/dbraw/zinc/27/28/43/880272843.db2.gz YUULSFMRKJZNPO-BQFCYCMXSA-N 2 3 323.481 1.241 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@@H]1CNCCC2 ZINC001222125950 880272861 /nfs/dbraw/zinc/27/28/61/880272861.db2.gz YUULSFMRKJZNPO-BQFCYCMXSA-N 2 3 323.481 1.241 20 0 DDADHP [NH3+]CC1CN([C@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)C1 ZINC001236079537 889099590 /nfs/dbraw/zinc/09/95/90/889099590.db2.gz NYULEYSFCNAUTG-HNNXBMFYSA-N 2 3 320.506 1.249 20 0 DDADHP C[C@]1(C[NH3+])CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001236605452 889267735 /nfs/dbraw/zinc/26/77/35/889267735.db2.gz UTHUALNCZLUFQD-GOSISDBHSA-N 2 3 302.466 1.263 20 0 DDADHP O[C@]1(CNCC2(c3cccc(Cl)c3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246005457 892322242 /nfs/dbraw/zinc/32/22/42/892322242.db2.gz HIDKPOKFDGCVRK-QGZVFWFLSA-N 2 3 323.868 1.275 20 0 DDADHP O[C@@]1(CNCC2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246003111 892323621 /nfs/dbraw/zinc/32/36/21/892323621.db2.gz CMKOLGXYVZPCED-SFHVURJKSA-N 2 3 321.440 1.052 20 0 DDADHP [NH3+]CC1(F)CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001246020929 892344886 /nfs/dbraw/zinc/34/48/86/892344886.db2.gz DFCXZSWKQBZFID-GOSISDBHSA-N 2 3 321.440 1.386 20 0 DDADHP [NH3+]CC1(F)CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001246020929 892344908 /nfs/dbraw/zinc/34/49/08/892344908.db2.gz DFCXZSWKQBZFID-GOSISDBHSA-N 2 3 321.440 1.386 20 0 DDADHP CC[C@H]1CC(NCC2(C(=O)OC)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246095828 892414441 /nfs/dbraw/zinc/41/44/41/892414441.db2.gz GIXIBEAGDIOJLF-KBPBESRZSA-N 2 3 311.470 1.428 20 0 DDADHP c1cc2n(c1)C[C@@H](CC[NH2+][C@@H]1CCNC3(CCC3)C1)C[NH2+]C2 ZINC001246140344 892436400 /nfs/dbraw/zinc/43/64/00/892436400.db2.gz NVOGZPDDBPMKRE-JKSUJKDBSA-N 2 3 302.466 1.862 20 0 DDADHP OC1(CC[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246185212 892469834 /nfs/dbraw/zinc/46/98/34/892469834.db2.gz BLRXAFFBLROBFO-ROUUACIJSA-N 2 3 317.477 1.444 20 0 DDADHP O[C@H](C[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246224681 892488260 /nfs/dbraw/zinc/48/82/60/892488260.db2.gz ADRMVVGJOQROAC-GBESFXJTSA-N 2 3 317.477 1.300 20 0 DDADHP CCOC(=O)C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC001246230061 892490099 /nfs/dbraw/zinc/49/00/99/892490099.db2.gz QVTQWEAMMDUMNE-QXULXFAOSA-N 2 3 309.454 1.180 20 0 DDADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246340665 892549640 /nfs/dbraw/zinc/54/96/40/892549640.db2.gz MHZXMZSXXLTQQU-KFWWJZLASA-N 2 3 304.463 1.169 20 0 DDADHP c1cncc([C@@H]2[NH2+]CC[C@@H]2CN[C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246340665 892549651 /nfs/dbraw/zinc/54/96/51/892549651.db2.gz MHZXMZSXXLTQQU-KFWWJZLASA-N 2 3 304.463 1.169 20 0 DDADHP c1ccc(CC2([NH2+][C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)nc1 ZINC001246367332 892576522 /nfs/dbraw/zinc/57/65/22/892576522.db2.gz AICCIUYNXGBROD-SCAQPMJSSA-N 2 3 300.450 1.334 20 0 DDADHP c1ccc(C[N@H+](C2CCNCC2)[C@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246912686 892987281 /nfs/dbraw/zinc/98/72/81/892987281.db2.gz FNWGTSOMZBNZMZ-SFHVURJKSA-N 2 3 315.461 1.762 20 0 DDADHP c1ccc(C[N@@H+](C2CCNCC2)[C@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246912686 892987287 /nfs/dbraw/zinc/98/72/87/892987287.db2.gz FNWGTSOMZBNZMZ-SFHVURJKSA-N 2 3 315.461 1.762 20 0 DDADHP CCCC[C@@H]1C[C@@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246973650 893042519 /nfs/dbraw/zinc/04/25/19/893042519.db2.gz HLWJRWXLCGCPLB-SQNIBIBYSA-N 2 3 308.514 1.795 20 0 DDADHP CCC[NH+]1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635006067 422763526 /nfs/dbraw/zinc/76/35/26/422763526.db2.gz APKGIMCOJWSKDG-UHFFFAOYSA-N 2 3 303.454 1.778 20 0 DDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000568248245 304280182 /nfs/dbraw/zinc/28/01/82/304280182.db2.gz LLELEWYCNSAORY-SQNIBIBYSA-N 2 3 303.450 1.613 20 0 DDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000568248245 304280184 /nfs/dbraw/zinc/28/01/84/304280184.db2.gz LLELEWYCNSAORY-SQNIBIBYSA-N 2 3 303.450 1.613 20 0 DDADHP C[NH+]1CCC(N2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000677241105 486423353 /nfs/dbraw/zinc/42/33/53/486423353.db2.gz MACHETBWRPBCNV-XYJFISCASA-N 2 3 306.498 1.371 20 0 DDADHP C[NH+]1CCC(N2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000677241105 486423354 /nfs/dbraw/zinc/42/33/54/486423354.db2.gz MACHETBWRPBCNV-XYJFISCASA-N 2 3 306.498 1.371 20 0 DDADHP C[NH2+]CCC1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904302843 711429249 /nfs/dbraw/zinc/42/92/49/711429249.db2.gz ZPWCDCCGKASCNB-UHFFFAOYSA-N 2 3 306.454 1.511 20 0 DDADHP C[NH+](C)CC[C@H](N[C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2)c1cccnc1 ZINC000925827085 714944995 /nfs/dbraw/zinc/94/49/95/714944995.db2.gz KWHYZVYJULQJQP-ADHGMGHFSA-N 2 3 318.465 1.416 20 0 DDADHP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001221395278 879750345 /nfs/dbraw/zinc/75/03/45/879750345.db2.gz QOCQJTUWTCCXGI-XHSDSOJGSA-N 2 3 310.486 1.083 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@H]3CC4(C[NH2+]C4)CO3)CCN2)cc1 ZINC001246135808 892429935 /nfs/dbraw/zinc/42/99/35/892429935.db2.gz ZIKFQCZEMCIXHB-KZNAEPCWSA-N 2 3 315.461 1.318 20 0 DDADHP CN1CCC[C@@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC1 ZINC001254508404 896467373 /nfs/dbraw/zinc/46/73/73/896467373.db2.gz QSGCVVBUAVXEKB-ZIAGYGMSSA-N 2 3 314.474 1.650 20 0 DDADHP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000422743489 282110460 /nfs/dbraw/zinc/11/04/60/282110460.db2.gz RLRNLEXOPCYFOB-WMZOPIPTSA-N 2 3 305.466 1.887 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC000591582978 355330755 /nfs/dbraw/zinc/33/07/55/355330755.db2.gz XDAQSHQARCCRQH-GJZGRUSLSA-N 2 3 323.481 1.572 20 0 DDADHP CCOC(=O)C1([C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]CC1 ZINC000591582978 355330757 /nfs/dbraw/zinc/33/07/57/355330757.db2.gz XDAQSHQARCCRQH-GJZGRUSLSA-N 2 3 323.481 1.572 20 0 DDADHP [NH3+]CC1CCC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000567647697 304231915 /nfs/dbraw/zinc/23/19/15/304231915.db2.gz LFYRSNFFOVCXMG-PPSBMQLTSA-N 2 3 317.477 1.860 20 0 DDADHP C[C@]1(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000415138845 419961670 /nfs/dbraw/zinc/96/16/70/419961670.db2.gz VTSWMILODKWJAC-SFHVURJKSA-N 2 3 316.493 1.569 20 0 DDADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000644522481 423686908 /nfs/dbraw/zinc/68/69/08/423686908.db2.gz DMHWSXHQPSBOHO-SOLBZPMBSA-N 2 3 311.514 1.789 20 0 DDADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000644522481 423686913 /nfs/dbraw/zinc/68/69/13/423686913.db2.gz DMHWSXHQPSBOHO-SOLBZPMBSA-N 2 3 311.514 1.789 20 0 DDADHP C[C@@H]1C[C@H](C)C[NH+](CCCCNC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644522481 423686920 /nfs/dbraw/zinc/68/69/20/423686920.db2.gz DMHWSXHQPSBOHO-SOLBZPMBSA-N 2 3 311.514 1.789 20 0 DDADHP C[C@@H]1C[C@H](C)C[NH+](CCCCNC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644522481 423686924 /nfs/dbraw/zinc/68/69/24/423686924.db2.gz DMHWSXHQPSBOHO-SOLBZPMBSA-N 2 3 311.514 1.789 20 0 DDADHP [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000519641775 302846567 /nfs/dbraw/zinc/84/65/67/302846567.db2.gz MPAUOISCNGTYBZ-MOPGFXCFSA-N 2 3 315.461 1.661 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000423034184 534070958 /nfs/dbraw/zinc/07/09/58/534070958.db2.gz PNMPWCBYOFCNRL-LZQZEXGQSA-N 2 3 317.477 1.731 20 0 DDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000423034184 534070963 /nfs/dbraw/zinc/07/09/63/534070963.db2.gz PNMPWCBYOFCNRL-LZQZEXGQSA-N 2 3 317.477 1.731 20 0 DDADHP CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023102 703896218 /nfs/dbraw/zinc/89/62/18/703896218.db2.gz LKXKFKYLJUZLRQ-ZACQAIPSSA-N 2 3 324.513 1.059 20 0 DDADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243072 707780937 /nfs/dbraw/zinc/78/09/37/707780937.db2.gz JGGTXBPRFPQRAS-ZDUSSCGKSA-N 2 3 302.426 1.333 20 0 DDADHP Cc1c(C[C@@H](CN)C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cnn1C ZINC000903918660 711331889 /nfs/dbraw/zinc/33/18/89/711331889.db2.gz DTUHIZJGGVHBQB-JYJNAYRXSA-N 2 3 307.486 1.201 20 0 DDADHP [NH3+][C@H]1CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001205101700 871364475 /nfs/dbraw/zinc/36/44/75/871364475.db2.gz JHUAXJVFNPTJFY-SFHVURJKSA-N 2 3 302.466 1.405 20 0 DDADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)C12CCC([NH3+])(CC1)CC2 ZINC001221392577 879743414 /nfs/dbraw/zinc/74/34/14/879743414.db2.gz YDHSVLNEFPKWRA-UHFFFAOYSA-N 2 3 309.458 1.102 20 0 DDADHP CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C)([NH+]4CCOCC4)CC3)[C@@H]2C1 ZINC001365618784 891172911 /nfs/dbraw/zinc/17/29/11/891172911.db2.gz ODAURACLGUGJRE-XCPPUQJOSA-N 2 3 321.509 1.950 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)C[C@]2(O)CCCNC2)CC1 ZINC001246065639 892398865 /nfs/dbraw/zinc/39/88/65/892398865.db2.gz IGLYGHIOTWSETQ-SZMVWBNQSA-N 2 3 318.465 1.268 20 0 DDADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C[C@]2(O)CCCNC2)CC1 ZINC001246065639 892398884 /nfs/dbraw/zinc/39/88/84/892398884.db2.gz IGLYGHIOTWSETQ-SZMVWBNQSA-N 2 3 318.465 1.268 20 0 DDADHP c1ccc([C@@H]2C[C@H](N[C@@H]3COC4(C3)CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246186679 892470055 /nfs/dbraw/zinc/47/00/55/892470055.db2.gz YUDYRBBTNZLVRR-SQNIBIBYSA-N 2 3 315.461 1.980 20 0 DDADHP CCOC(=O)C1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001246315063 892536291 /nfs/dbraw/zinc/53/62/91/892536291.db2.gz GIAGHDFNMCXHNX-FICVDOATSA-N 2 3 309.454 1.182 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367616083 418615857 /nfs/dbraw/zinc/61/58/57/418615857.db2.gz NIGMHRSMXKDMSR-KURKYZTESA-N 2 3 308.514 1.475 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367616083 418615860 /nfs/dbraw/zinc/61/58/60/418615860.db2.gz NIGMHRSMXKDMSR-KURKYZTESA-N 2 3 308.514 1.475 20 0 DDADHP COc1ccc([C@H](C[NH3+])CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000420283023 420181170 /nfs/dbraw/zinc/18/11/70/420181170.db2.gz BOLBDEFLLVZZEH-MRXNPFEDSA-N 2 3 321.465 1.567 20 0 DDADHP COc1ccc([C@H](CN)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000420283023 420181174 /nfs/dbraw/zinc/18/11/74/420181174.db2.gz BOLBDEFLLVZZEH-MRXNPFEDSA-N 2 3 321.465 1.567 20 0 DDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431012179 420232648 /nfs/dbraw/zinc/23/26/48/420232648.db2.gz DLTHFDWHBQGSKL-UHFFFAOYSA-N 2 3 322.497 1.051 20 0 DDADHP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000665288991 424775171 /nfs/dbraw/zinc/77/51/71/424775171.db2.gz CMINRPWQWIMVLH-HOCLYGCPSA-N 2 3 310.486 1.084 20 0 DDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000849022912 703611827 /nfs/dbraw/zinc/61/18/27/703611827.db2.gz PLJMCAJJFCLESP-MRXNPFEDSA-N 2 3 307.486 1.459 20 0 DDADHP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCN(CC3CC[NH+](C)CC3)CC1)C2 ZINC000894475075 711140689 /nfs/dbraw/zinc/14/06/89/711140689.db2.gz QSSGNHHYSYNDDZ-DFNIBXOVSA-N 2 3 320.525 1.571 20 0 DDADHP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCN(CC3CC[NH+](C)CC3)CC1)C2 ZINC000894475075 711140691 /nfs/dbraw/zinc/14/06/91/711140691.db2.gz QSSGNHHYSYNDDZ-DFNIBXOVSA-N 2 3 320.525 1.571 20 0 DDADHP CN1CCCC[C@H]1c1ccc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001167880292 739170753 /nfs/dbraw/zinc/17/07/53/739170753.db2.gz GLFVHNSIUGLQST-AWEZNQCLSA-N 2 3 304.442 1.914 20 0 DDADHP CN(C)CCN(C(=O)CCCCCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161446218 866671893 /nfs/dbraw/zinc/67/18/93/866671893.db2.gz RDZUZFJOICHYSL-INIZCTEOSA-N 2 3 312.502 1.428 20 0 DDADHP CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(C)([NH+]4CCOCC4)CC3)[C@H]2C1 ZINC001365618782 891173091 /nfs/dbraw/zinc/17/30/91/891173091.db2.gz ODAURACLGUGJRE-INXBYTPESA-N 2 3 321.509 1.950 20 0 DDADHP O[C@]1(C[NH2+][C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CCCNC1 ZINC001246004519 892322778 /nfs/dbraw/zinc/32/27/78/892322778.db2.gz ZJYLYLMORYRCTD-ZWKOTPCHSA-N 2 3 321.440 1.571 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H](NCCO[C@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC001246367896 892575293 /nfs/dbraw/zinc/57/52/93/892575293.db2.gz NFICMDSGPGEUJT-KSZLIROESA-N 2 3 303.450 1.318 20 0 DDADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]CCO[C@H]3CC[NH2+]C3)CCN2)cc1 ZINC001246367896 892575304 /nfs/dbraw/zinc/57/53/04/892575304.db2.gz NFICMDSGPGEUJT-KSZLIROESA-N 2 3 303.450 1.318 20 0 DDADHP NC1=CC=C(C2CC[NH+](C3CCC4(C[NH2+]C4)CC3)CC2)NC1 ZINC001246492260 892655417 /nfs/dbraw/zinc/65/54/17/892655417.db2.gz CMYSPCVPASKJIN-UHFFFAOYSA-N 2 3 302.466 1.560 20 0 DDADHP C1=CC[C@H](CN2CCC([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246511146 892669057 /nfs/dbraw/zinc/66/90/57/892669057.db2.gz PYQPBJBJGADETN-FUHWJXTLSA-N 2 3 318.509 1.491 20 0 DDADHP c1ccc([C@@H]2CN([C@H]3CSC4(C[NH2+]C4)C3)CC23C[NH2+]C3)cc1 ZINC001246623813 892747488 /nfs/dbraw/zinc/74/74/88/892747488.db2.gz NQVVRTFOUHCBLD-CVEARBPZSA-N 2 3 315.486 1.523 20 0 DDADHP C[C@H]1C[C@H](NCCN(C)CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256528204 897463620 /nfs/dbraw/zinc/46/36/20/897463620.db2.gz CKKNHCVTDFCCCF-FUHWJXTLSA-N 2 3 304.482 1.520 20 0 DDADHP C[C@H]1C[C@H](NCCN(C)CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256528204 897463629 /nfs/dbraw/zinc/46/36/29/897463629.db2.gz CKKNHCVTDFCCCF-FUHWJXTLSA-N 2 3 304.482 1.520 20 0 DDADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000423110252 227360071 /nfs/dbraw/zinc/36/00/71/227360071.db2.gz VIYKJEROMGUYLH-SJORKVTESA-N 2 3 310.530 1.913 20 0 DDADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000423110252 227360076 /nfs/dbraw/zinc/36/00/76/227360076.db2.gz VIYKJEROMGUYLH-SJORKVTESA-N 2 3 310.530 1.913 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422820559 227198366 /nfs/dbraw/zinc/19/83/66/227198366.db2.gz RGFJVBGFSZJFOA-KSZLIROESA-N 2 3 308.514 1.523 20 0 DDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422828440 227203665 /nfs/dbraw/zinc/20/36/65/227203665.db2.gz AZLGRTFTZVMETJ-LSDHHAIUSA-N 2 3 305.466 1.859 20 0 DDADHP C[N@@H+]1CCC[C@H](N2CCN(CCCC3CC[NH2+]CC3)CC2)C1 ZINC000649414707 423885399 /nfs/dbraw/zinc/88/53/99/423885399.db2.gz ROOYVXHWWOOTPD-SFHVURJKSA-N 2 3 308.514 1.478 20 0 DDADHP C[N@H+]1CCC[C@H](N2CCN(CCCC3CC[NH2+]CC3)CC2)C1 ZINC000649414707 423885412 /nfs/dbraw/zinc/88/54/12/423885412.db2.gz ROOYVXHWWOOTPD-SFHVURJKSA-N 2 3 308.514 1.478 20 0 DDADHP c1c(C2CC[NH2+]CC2)n[nH]c1C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000662327647 424572028 /nfs/dbraw/zinc/57/20/28/424572028.db2.gz SITMBWSHUJPPHL-CQSZACIVSA-N 2 3 317.481 1.666 20 0 DDADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422743089 527846272 /nfs/dbraw/zinc/84/62/72/527846272.db2.gz QWRNRGCYOBHJST-BMGDILEWSA-N 2 3 305.466 1.980 20 0 DDADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422743089 527846277 /nfs/dbraw/zinc/84/62/77/527846277.db2.gz QWRNRGCYOBHJST-BMGDILEWSA-N 2 3 305.466 1.980 20 0 DDADHP CN1[C@@H]2CC[C@H]1CC([NH2+]C1CCN(C3CC[NH+](C)CC3)CC1)C2 ZINC000774159979 697849919 /nfs/dbraw/zinc/84/99/19/697849919.db2.gz XTJMOUBRFBLILR-JLYLLQBASA-N 2 3 320.525 1.760 20 0 DDADHP NCc1cn(-c2cccc(C[NH2+]C3CCC([NH3+])CC3)c2)nn1 ZINC000873218200 707773062 /nfs/dbraw/zinc/77/30/62/707773062.db2.gz ZLOOTBHNORMVPH-UHFFFAOYSA-N 2 3 300.410 1.086 20 0 DDADHP NCc1cn(-c2cccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])c2)nn1 ZINC000873243021 707781424 /nfs/dbraw/zinc/78/14/24/707781424.db2.gz IHRGJODPLVYLRF-PBHICJAKSA-N 2 3 314.437 1.333 20 0 DDADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000903756630 711269887 /nfs/dbraw/zinc/26/98/87/711269887.db2.gz UQWBFSHEEVZGJU-BVBHFADKSA-N 2 3 319.493 1.704 20 0 DDADHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000903756630 711269889 /nfs/dbraw/zinc/26/98/89/711269889.db2.gz UQWBFSHEEVZGJU-BVBHFADKSA-N 2 3 319.493 1.704 20 0 DDADHP c1cc(N2CC[NH2+]CC2)oc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000904299526 711428858 /nfs/dbraw/zinc/42/88/58/711428858.db2.gz GMIIZJUQPUGGQL-QGZVFWFLSA-N 2 3 318.465 1.653 20 0 DDADHP CCOC(=O)C1([C@@H](C)N2CCC([NH3+])(CC)CC2)CC[NH2+]CC1 ZINC000925759770 714929294 /nfs/dbraw/zinc/92/92/94/714929294.db2.gz HRXKEPZDWMDRRR-CQSZACIVSA-N 2 3 311.470 1.511 20 0 DDADHP Cc1cc(CN)nn1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001163985744 868846265 /nfs/dbraw/zinc/84/62/65/868846265.db2.gz AFDKIIPRONXGNR-UHFFFAOYSA-N 2 3 313.449 1.810 20 0 DDADHP C[C@@]1([NH3+])CCCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001205273022 871479423 /nfs/dbraw/zinc/47/94/23/871479423.db2.gz CJYZXIDDHBUSEX-GOSISDBHSA-N 2 3 302.466 1.800 20 0 DDADHP C[C@H]1CCN(Cc2ccccc2N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001205303658 871489693 /nfs/dbraw/zinc/48/96/93/871489693.db2.gz JCKDMAHEPUDKFM-RDJZCZTQSA-N 2 3 302.466 1.513 20 0 DDADHP N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219233579 878038484 /nfs/dbraw/zinc/03/84/84/878038484.db2.gz RSNJNZQVYBWQAY-BBRMVZONSA-N 2 3 319.453 1.009 20 0 DDADHP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001219999093 878642236 /nfs/dbraw/zinc/64/22/36/878642236.db2.gz KBAWXNBILXLPCX-HOTGVXAUSA-N 2 3 304.438 1.006 20 0 DDADHP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001221395277 879749600 /nfs/dbraw/zinc/74/96/00/879749600.db2.gz QOCQJTUWTCCXGI-OWCLPIDISA-N 2 3 310.486 1.083 20 0 DDADHP [NH3+][C@H]1CCN(C2CCN(Cc3cc4c(s3)C[NH2+]CC4)CC2)C1 ZINC001236624148 889280278 /nfs/dbraw/zinc/28/02/78/889280278.db2.gz ZLOIJJGSIHQQDG-AWEZNQCLSA-N 2 3 320.506 1.391 20 0 DDADHP CCOC(=O)C1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001246315066 892535646 /nfs/dbraw/zinc/53/56/46/892535646.db2.gz GIAGHDFNMCXHNX-QDMKHBRRSA-N 2 3 309.454 1.182 20 0 DDADHP COc1ccccc1C1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246416506 892612383 /nfs/dbraw/zinc/61/23/83/892612383.db2.gz RRRMEMGRUAOXGA-UHFFFAOYSA-N 2 3 303.450 1.658 20 0 DDADHP COc1ccccc1C1(CNC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246416506 892612389 /nfs/dbraw/zinc/61/23/89/892612389.db2.gz RRRMEMGRUAOXGA-UHFFFAOYSA-N 2 3 303.450 1.658 20 0 DDADHP c1cncc(CC2([NH2+][C@@H]3CCC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246423341 892616299 /nfs/dbraw/zinc/61/62/99/892616299.db2.gz YYXGMMRAWZYWSY-MRXNPFEDSA-N 2 3 300.450 1.478 20 0 DDADHP c1ccc(CC2([NH2+][C@@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246457282 892636783 /nfs/dbraw/zinc/63/67/83/892636783.db2.gz IITMAFAXMVBHHZ-QGZVFWFLSA-N 2 3 315.461 1.462 20 0 DDADHP C1CC2(C[C@H]1N1CCOC[C@@]3(CCC[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246648375 892766406 /nfs/dbraw/zinc/76/64/06/892766406.db2.gz XXFCNMFTDFKBRP-FUHWJXTLSA-N 2 3 307.482 1.611 20 0 DDADHP C1CC2(C[C@H]1[N@@H+]1CCOC[C@@]3(CCCNC3)C1)CC[NH2+]CC2 ZINC001246648375 892766411 /nfs/dbraw/zinc/76/64/11/892766411.db2.gz XXFCNMFTDFKBRP-FUHWJXTLSA-N 2 3 307.482 1.611 20 0 DDADHP C1CC2(C[C@H]1[N@H+]1CCOC[C@@]3(CCCNC3)C1)CC[NH2+]CC2 ZINC001246648375 892766415 /nfs/dbraw/zinc/76/64/15/892766415.db2.gz XXFCNMFTDFKBRP-FUHWJXTLSA-N 2 3 307.482 1.611 20 0 DDADHP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN[C@@H](CC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677433 892780604 /nfs/dbraw/zinc/78/06/04/892780604.db2.gz DQTUAVWRHVAMCJ-OVWQWFNUSA-N 2 3 323.481 1.382 20 0 DDADHP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCN[C@@H](CC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677433 892780621 /nfs/dbraw/zinc/78/06/21/892780621.db2.gz DQTUAVWRHVAMCJ-OVWQWFNUSA-N 2 3 323.481 1.382 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CC[NH2+]1 ZINC001246972614 893038745 /nfs/dbraw/zinc/03/87/45/893038745.db2.gz DAXJOFLWFCBUNR-ZACQAIPSSA-N 2 3 308.514 1.651 20 0 DDADHP [NH3+]CCOCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327156 424573406 /nfs/dbraw/zinc/57/34/06/424573406.db2.gz LCOMTJYAZDJGHH-UHFFFAOYSA-N 2 3 321.469 1.031 20 0 DDADHP CC[NH+]1CCC(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424288994 528978372 /nfs/dbraw/zinc/97/83/72/528978372.db2.gz LDQJOFKZUVHBEG-OAHLLOKOSA-N 2 3 322.497 1.051 20 0 DDADHP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000902407212 710744561 /nfs/dbraw/zinc/74/45/61/710744561.db2.gz WYNKUQXMSYDZAZ-UONOGXRCSA-N 2 3 309.454 1.040 20 0 DDADHP CC[NH+]1CCC(CC2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)CC1 ZINC001161045976 866318412 /nfs/dbraw/zinc/31/84/12/866318412.db2.gz FKHJKXQKWKFESN-QGZVFWFLSA-N 2 3 324.513 1.413 20 0 DDADHP C[C@@H]1CC[C@H](CN)[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001205818999 871832958 /nfs/dbraw/zinc/83/29/58/871832958.db2.gz VZOBOGFIHRZCAB-VQIMIIECSA-N 2 3 316.493 1.651 20 0 DDADHP C[C@@H]1CC[C@H](CN)[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001205818999 871832963 /nfs/dbraw/zinc/83/29/63/871832963.db2.gz VZOBOGFIHRZCAB-VQIMIIECSA-N 2 3 316.493 1.651 20 0 DDADHP c1cc(CN2CC3(C2)CC[NH2+]CC3)cc(CN2CC[NH2+]CC2)c1 ZINC001235090431 888407516 /nfs/dbraw/zinc/40/75/16/888407516.db2.gz ZDWKQTLQUNBHRM-UHFFFAOYSA-N 2 3 314.477 1.277 20 0 DDADHP CCCN(Cc1ccccc1N1CC[NH2+]CC1)C[C@H]1CC[NH2+]C1 ZINC001236836575 889377462 /nfs/dbraw/zinc/37/74/62/889377462.db2.gz XTKYJYMVRLQRPM-KRWDZBQOSA-N 2 3 316.493 1.918 20 0 DDADHP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2)C[C@@]2(O)CC[NH2+]C2)CC1 ZINC001246066563 892396974 /nfs/dbraw/zinc/39/69/74/892396974.db2.gz KNTKUMSQYXTFNE-KZNAEPCWSA-N 2 3 303.450 1.483 20 0 DDADHP C(N[C@@H]1CCC[N@@H+](C2CCCC2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246140075 892436977 /nfs/dbraw/zinc/43/69/77/892436977.db2.gz DRHFPJQUVCTTHE-IAGOWNOFSA-N 2 3 320.525 1.857 20 0 DDADHP C(N[C@@H]1CCC[N@H+](C2CCCC2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246140075 892436982 /nfs/dbraw/zinc/43/69/82/892436982.db2.gz DRHFPJQUVCTTHE-IAGOWNOFSA-N 2 3 320.525 1.857 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246150056 892443178 /nfs/dbraw/zinc/44/31/78/892443178.db2.gz VFBBRBYZLSOORA-PMPSAXMXSA-N 2 3 308.514 1.617 20 0 DDADHP CC(C)(C)[C@@H]1C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]1 ZINC001246150053 892444097 /nfs/dbraw/zinc/44/40/97/892444097.db2.gz VFBBRBYZLSOORA-OAGGEKHMSA-N 2 3 308.514 1.617 20 0 DDADHP C([NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246153968 892449117 /nfs/dbraw/zinc/44/91/17/892449117.db2.gz SUHIKEBEJGGLEJ-TVFCKZIOSA-N 2 3 307.482 1.657 20 0 DDADHP CC(C)[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246180805 892468124 /nfs/dbraw/zinc/46/81/24/892468124.db2.gz PSJCYCVSPMRXEP-ZACQAIPSSA-N 2 3 309.498 1.901 20 0 DDADHP CCOC(=O)C[C@@H]([NH2+][C@H]1CCNC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246225099 892488493 /nfs/dbraw/zinc/48/84/93/892488493.db2.gz COWXDDWOYPJJQX-LSDHHAIUSA-N 2 3 311.470 1.428 20 0 DDADHP CC1(C)C[C@@H](NCCNCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001246403207 892605543 /nfs/dbraw/zinc/60/55/43/892605543.db2.gz CQMGKXVHYFKPAC-KRWDZBQOSA-N 2 3 304.482 1.568 20 0 DDADHP CC1(C)C[C@@H](NCCNCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246403207 892605548 /nfs/dbraw/zinc/60/55/48/892605548.db2.gz CQMGKXVHYFKPAC-KRWDZBQOSA-N 2 3 304.482 1.568 20 0 DDADHP C[C@@H]1C[C@@H]([NH2+]CCCNCCC[NH3+])CCN1Cc1ccccc1 ZINC001246455958 892636849 /nfs/dbraw/zinc/63/68/49/892636849.db2.gz YTWLPGOMBLCOLJ-MJGOQNOKSA-N 2 3 318.509 1.958 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH+]3CCC4(CC[C@@H]4[NH3+])CC3)C[C@H](C1)N2 ZINC001247000804 893071513 /nfs/dbraw/zinc/07/15/13/893071513.db2.gz HZVAMFFBWNOKNL-BJWPUDQFSA-N 2 3 321.465 1.262 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367616082 418616018 /nfs/dbraw/zinc/61/60/18/418616018.db2.gz NIGMHRSMXKDMSR-KSZLIROESA-N 2 3 308.514 1.475 20 0 DDADHP C[NH+](C)C1CCN(CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367616082 418616020 /nfs/dbraw/zinc/61/60/20/418616020.db2.gz NIGMHRSMXKDMSR-KSZLIROESA-N 2 3 308.514 1.475 20 0 DDADHP C[NH2+]CCOCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629531593 422711486 /nfs/dbraw/zinc/71/14/86/422711486.db2.gz QFDHNZVXHDVWHU-NVXWUHKLSA-N 2 3 305.422 1.068 20 0 DDADHP CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422858534 279357249 /nfs/dbraw/zinc/35/72/49/279357249.db2.gz IYNPCYLDFGGKBW-KURKYZTESA-N 2 3 308.514 1.524 20 0 DDADHP CN(C)C[C@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](CN(C)C)C2)C1 ZINC000158146578 289213876 /nfs/dbraw/zinc/21/38/76/289213876.db2.gz HFPXJTZZCJPRHL-RTBURBONSA-N 2 3 324.557 1.924 20 0 DDADHP CN(C)C[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](CN(C)C)C2)C1 ZINC000158146578 289213880 /nfs/dbraw/zinc/21/38/80/289213880.db2.gz HFPXJTZZCJPRHL-RTBURBONSA-N 2 3 324.557 1.924 20 0 DDADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)CC[NH2+]CC1 ZINC000422698579 528608117 /nfs/dbraw/zinc/60/81/17/528608117.db2.gz ZZDSJIVEJBDOKJ-HUUCEWRRSA-N 2 3 311.470 1.239 20 0 DDADHP C[C@@H]1C[C@@H](NCCN(C)CC[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168029677 740795646 /nfs/dbraw/zinc/79/56/46/740795646.db2.gz UMQOFKUSMAGEGE-IZZQQSIFSA-N 2 3 318.509 1.908 20 0 DDADHP C[C@@H]1C[C@@H](NCCN(C)CC[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029677 740795649 /nfs/dbraw/zinc/79/56/49/740795649.db2.gz UMQOFKUSMAGEGE-IZZQQSIFSA-N 2 3 318.509 1.908 20 0 DDADHP C[NH+](C)CCN1CC2(C1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC001276049559 854673657 /nfs/dbraw/zinc/67/36/57/854673657.db2.gz ZIEXTVMZOJCLEJ-UHFFFAOYSA-N 2 3 322.541 1.822 20 0 DDADHP C[C@@H]1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@@H]1C[NH3+] ZINC001205305882 871490497 /nfs/dbraw/zinc/49/04/97/871490497.db2.gz TXOPEPFVMNQAGI-APWZRJJASA-N 2 3 316.493 1.509 20 0 DDADHP C[C@H]1[C@@H](C[NH3+])CCCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001205903342 871913251 /nfs/dbraw/zinc/91/32/51/871913251.db2.gz OTUCFGWAPVOMQV-QFBILLFUSA-N 2 3 316.493 1.651 20 0 DDADHP CC(C)(C[NH3+])c1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001218894952 877790049 /nfs/dbraw/zinc/79/00/49/877790049.db2.gz DLBMRKNRCQGJMJ-OAHLLOKOSA-N 2 3 304.438 1.188 20 0 DDADHP O[C@]1(C[NH2+][C@H](c2cccc(F)c2)C2CC[NH2+]CC2)CCCNC1 ZINC001245998132 892316295 /nfs/dbraw/zinc/31/62/95/892316295.db2.gz GKRNTRTXGMISCQ-ZWKOTPCHSA-N 2 3 321.440 1.571 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]CCCN3CC[NH2+]CC3)CCN2)cc1 ZINC001246115223 892421655 /nfs/dbraw/zinc/42/16/55/892421655.db2.gz QZZJISOLNQLFPY-RTBURBONSA-N 2 3 316.493 1.235 20 0 DDADHP CCOC(=O)C[C@@H]([NH2+][C@@H]1C[C@@H](C)N[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246225542 892488157 /nfs/dbraw/zinc/48/81/57/892488157.db2.gz DVOFWYBAJSTYND-OCVGTWLNSA-N 2 3 311.470 1.426 20 0 DDADHP CCOC(=O)C[C@@H]([NH2+]C1C[C@@H](C)N[C@H](C)C1)C1CC[NH2+]CC1 ZINC001246233761 892492397 /nfs/dbraw/zinc/49/23/97/892492397.db2.gz DVOFWYBAJSTYND-XJKCOSOUSA-N 2 3 311.470 1.426 20 0 DDADHP [NH3+]C[C@]1(O)CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001246539047 892682925 /nfs/dbraw/zinc/68/29/25/892682925.db2.gz AOYINPNCGODEES-WFFDWFOESA-N 2 3 307.482 1.568 20 0 DDADHP [NH3+]C[C@]1(O)CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001246539047 892682929 /nfs/dbraw/zinc/68/29/29/892682929.db2.gz AOYINPNCGODEES-WFFDWFOESA-N 2 3 307.482 1.568 20 0 DDADHP CN1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)CC1 ZINC000647783914 423046719 /nfs/dbraw/zinc/04/67/19/423046719.db2.gz DTJMNUSXONTGBW-HZMVEIRTSA-N 2 3 306.498 1.133 20 0 DDADHP [NH3+]CCCOCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629534777 422716286 /nfs/dbraw/zinc/71/62/86/422716286.db2.gz AYZIPHCNZKMVFW-WBVHZDCISA-N 2 3 305.422 1.197 20 0 DDADHP CC(C)[C@@H](C[NH3+])C[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873215538 707772377 /nfs/dbraw/zinc/77/23/77/707772377.db2.gz CARAULDOZHRALK-AWEZNQCLSA-N 2 3 302.426 1.047 20 0 DDADHP C[NH+](C)C1(C)CCC([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873218901 707773622 /nfs/dbraw/zinc/77/36/22/707773622.db2.gz BJQQDSIQLQZMEO-UQPPLGOBSA-N 2 3 310.486 1.036 20 0 DDADHP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000902407208 710744348 /nfs/dbraw/zinc/74/43/48/710744348.db2.gz WYNKUQXMSYDZAZ-KBPBESRZSA-N 2 3 309.454 1.040 20 0 DDADHP N[C@@H](CCC[NH3+])Nc1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001170899267 771898182 /nfs/dbraw/zinc/89/81/82/771898182.db2.gz IWWFLRFZHFTJIK-RHSMWYFYSA-N 2 3 316.453 1.787 20 0 DDADHP CN(CCN(C)C(=O)C[C@@H]([NH3+])CCCC[NH3+])Cc1ccccc1 ZINC001161160510 866416396 /nfs/dbraw/zinc/41/63/96/866416396.db2.gz AXKVMMCCYYNGCJ-KRWDZBQOSA-N 2 3 320.481 1.423 20 0 DDADHP O[C@]1(CNCC2(c3ccc(Cl)cc3)CC[NH2+]CC2)CC[NH2+]C1 ZINC001246001534 892321081 /nfs/dbraw/zinc/32/10/81/892321081.db2.gz SJRJXZCAORTOKL-QGZVFWFLSA-N 2 3 323.868 1.275 20 0 DDADHP C[C@@H](CN1CC[NH2+]CC1)N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246079142 892405133 /nfs/dbraw/zinc/40/51/33/892405133.db2.gz JEIJGOMSZTZQPG-RYQLBKOJSA-N 2 3 302.466 1.363 20 0 DDADHP Fc1ccc(C2([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246336214 892546825 /nfs/dbraw/zinc/54/68/25/892546825.db2.gz MCLMSCLXMYYGAL-MRXNPFEDSA-N 2 3 318.440 1.088 20 0 DDADHP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246418101 892615112 /nfs/dbraw/zinc/61/51/12/892615112.db2.gz BCYJHNLRGOQLGP-HOTGVXAUSA-N 2 3 302.466 1.724 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246616294 892741716 /nfs/dbraw/zinc/74/17/16/892741716.db2.gz VHVZBERFOJYTDV-HOTGVXAUSA-N 2 3 309.498 1.855 20 0 DDADHP CC[C@@H]1C[C@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246973024 893034827 /nfs/dbraw/zinc/03/48/27/893034827.db2.gz DXTWDWDGBFSGIM-XWTMOSNGSA-N 2 3 308.514 1.793 20 0 DDADHP C[C@@H]1C[C@@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000414755454 224386542 /nfs/dbraw/zinc/38/65/42/224386542.db2.gz PEOQMVVBEKMFKD-MSOLQXFVSA-N 2 3 322.541 1.724 20 0 DDADHP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000353431413 410980845 /nfs/dbraw/zinc/98/08/45/410980845.db2.gz YWXADRXYZGYNRX-DLBZAZTESA-N 2 3 322.497 1.049 20 0 DDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422914062 227257486 /nfs/dbraw/zinc/25/74/86/227257486.db2.gz RHPZDILZWKOELU-ZIAGYGMSSA-N 2 3 306.454 1.193 20 0 DDADHP C[C@H]1C[C@@H](NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414860691 419844924 /nfs/dbraw/zinc/84/49/24/419844924.db2.gz CZCUUQZSNBFGEL-HKUYNNGSSA-N 2 3 316.493 1.534 20 0 DDADHP C[C@H]1C[C@@H](NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000414860691 419844932 /nfs/dbraw/zinc/84/49/32/419844932.db2.gz CZCUUQZSNBFGEL-HKUYNNGSSA-N 2 3 316.493 1.534 20 0 DDADHP COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC[NH2+]CC1 ZINC000423397427 420037688 /nfs/dbraw/zinc/03/76/88/420037688.db2.gz CGSJVWZNSHPYMO-IXDOHACOSA-N 2 3 309.498 1.903 20 0 DDADHP C[C@H](NCCOCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000629539607 422716638 /nfs/dbraw/zinc/71/66/38/422716638.db2.gz QMJRZZIUFQYFDI-WMZOPIPTSA-N 2 3 305.466 1.852 20 0 DDADHP C[C@H](NCCOCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629539607 422716643 /nfs/dbraw/zinc/71/66/43/422716643.db2.gz QMJRZZIUFQYFDI-WMZOPIPTSA-N 2 3 305.466 1.852 20 0 DDADHP CC(C)N1CCN(CCC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639755859 423711112 /nfs/dbraw/zinc/71/11/12/423711112.db2.gz PGEGQDXZYYWHQE-UHFFFAOYSA-N 2 3 322.541 1.820 20 0 DDADHP CC(C)N1CCN(CCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639755859 423711118 /nfs/dbraw/zinc/71/11/18/423711118.db2.gz PGEGQDXZYYWHQE-UHFFFAOYSA-N 2 3 322.541 1.820 20 0 DDADHP [NH3+][C@H]1CCC[C@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000576838370 308343974 /nfs/dbraw/zinc/34/39/74/308343974.db2.gz QIDCIZDCOMLHBZ-ROUUACIJSA-N 2 3 316.493 1.839 20 0 DDADHP CN1CCC(CN[C@@H]2CC[NH2+]C23CCC3)([NH+]2CCCCC2)CC1 ZINC000925513816 714877799 /nfs/dbraw/zinc/87/77/99/714877799.db2.gz MCYLWJACQIUPFP-QGZVFWFLSA-N 2 3 320.525 1.811 20 0 DDADHP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](CC(C)(C)CN(C)C)CC2 ZINC001276658749 875016873 /nfs/dbraw/zinc/01/68/73/875016873.db2.gz VPBVJDOLVGXHLY-UHFFFAOYSA-N 2 3 324.557 1.924 20 0 DDADHP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CC(C)(C)CN(C)C)CC2 ZINC001276658749 875016887 /nfs/dbraw/zinc/01/68/87/875016887.db2.gz VPBVJDOLVGXHLY-UHFFFAOYSA-N 2 3 324.557 1.924 20 0 DDADHP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3cnccc3N)C[C@H]2CC1 ZINC001276713949 876440561 /nfs/dbraw/zinc/44/05/61/876440561.db2.gz WLZLYWWFWBXCIA-IYBDPMFKSA-N 2 3 317.481 1.200 20 0 DDADHP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cnccc3N)C[C@H]2CC1 ZINC001276713949 876440571 /nfs/dbraw/zinc/44/05/71/876440571.db2.gz WLZLYWWFWBXCIA-IYBDPMFKSA-N 2 3 317.481 1.200 20 0 DDADHP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cnccc3N)C[C@H]2CC1 ZINC001276713949 876440584 /nfs/dbraw/zinc/44/05/84/876440584.db2.gz WLZLYWWFWBXCIA-IYBDPMFKSA-N 2 3 317.481 1.200 20 0 DDADHP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cnccc3N)C[C@H]2CC1 ZINC001276713949 876440595 /nfs/dbraw/zinc/44/05/95/876440595.db2.gz WLZLYWWFWBXCIA-IYBDPMFKSA-N 2 3 317.481 1.200 20 0 DDADHP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cnccc3N)C[C@H]2CC1 ZINC001276713949 876440600 /nfs/dbraw/zinc/44/06/00/876440600.db2.gz WLZLYWWFWBXCIA-IYBDPMFKSA-N 2 3 317.481 1.200 20 0 DDADHP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cnccc3N)C[C@H]2CC1 ZINC001276713949 876440607 /nfs/dbraw/zinc/44/06/07/876440607.db2.gz WLZLYWWFWBXCIA-IYBDPMFKSA-N 2 3 317.481 1.200 20 0 DDADHP OC1(C[NH2+][C@H]2CCCCNC2)CC[NH+](Cc2ccccc2)CC1 ZINC001245993636 892311490 /nfs/dbraw/zinc/31/14/90/892311490.db2.gz OECMCPKWWRLXGI-SFHVURJKSA-N 2 3 317.477 1.745 20 0 DDADHP O[C@@]1(C[NH2+][C@@H]2CC3(CC[NH2+]CC3)c3ccccc32)CCCNC1 ZINC001245997726 892317674 /nfs/dbraw/zinc/31/76/74/892317674.db2.gz VKENCACSGCFTFF-MJGOQNOKSA-N 2 3 315.461 1.457 20 0 DDADHP c1ccc(C[C@H]2C[C@@H]([NH2+]C[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)CCN2)cc1 ZINC001246131836 892427571 /nfs/dbraw/zinc/42/75/71/892427571.db2.gz KFOPSFRREOPAFK-ICBNADEASA-N 2 3 315.461 1.174 20 0 DDADHP c1ccc(C[C@H]2C[C@H]([NH2+]C[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)CCN2)cc1 ZINC001246149597 892443821 /nfs/dbraw/zinc/44/38/21/892443821.db2.gz KFOPSFRREOPAFK-ZWJWXYIHSA-N 2 3 315.461 1.174 20 0 DDADHP C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246180774 892466696 /nfs/dbraw/zinc/46/66/96/892466696.db2.gz PJZAGELUIXKJLS-LTIDMASMSA-N 2 3 307.482 1.798 20 0 DDADHP C([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246180774 892466702 /nfs/dbraw/zinc/46/67/02/892466702.db2.gz PJZAGELUIXKJLS-LTIDMASMSA-N 2 3 307.482 1.798 20 0 DDADHP CCOC(=O)C[C@H]([NH2+][C@@H]1C[C@@H](C)N[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246225545 892487347 /nfs/dbraw/zinc/48/73/47/892487347.db2.gz DVOFWYBAJSTYND-XRGAULLZSA-N 2 3 311.470 1.426 20 0 DDADHP C1O[C@@]2(C[C@H]1N[C@@H]1CC[NH2+]C3(CCCCC3)C1)CCC[NH2+]C2 ZINC001246256410 892503119 /nfs/dbraw/zinc/50/31/19/892503119.db2.gz PGLBJVPWQDDSOE-JFIYKMOQSA-N 2 3 307.482 1.942 20 0 DDADHP CCOC(=O)CC1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246327876 892542116 /nfs/dbraw/zinc/54/21/16/892542116.db2.gz VBPVIOJZKXDUQJ-WBVHZDCISA-N 2 3 323.481 1.574 20 0 DDADHP c1ccc(CC2([NH2+][C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)nc1 ZINC001246367330 892576041 /nfs/dbraw/zinc/57/60/41/892576041.db2.gz AICCIUYNXGBROD-QLPKVWCKSA-N 2 3 300.450 1.334 20 0 DDADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246378698 892586436 /nfs/dbraw/zinc/58/64/36/892586436.db2.gz YIVCJWXDORRHAX-BBWFWOEESA-N 2 3 308.514 1.569 20 0 DDADHP F[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246477271 892648178 /nfs/dbraw/zinc/64/81/78/892648178.db2.gz NICYSAAKVDJPNB-XSLAGTTESA-N 2 3 305.441 1.887 20 0 DDADHP C[C@@H]1CN(CC2CC[NH+](CC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000178979483 407680785 /nfs/dbraw/zinc/68/07/85/407680785.db2.gz FVPKDXICAYOGKN-HZPDHXFCSA-N 2 3 309.498 1.807 20 0 DDADHP C[C@@H]1CCN(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000573632965 421992450 /nfs/dbraw/zinc/99/24/50/421992450.db2.gz SLRCTUMGFKYIKS-MRXNPFEDSA-N 2 3 312.502 1.060 20 0 DDADHP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643512471 423185727 /nfs/dbraw/zinc/18/57/27/423185727.db2.gz LTNZDLCUAHTORE-SCNOPHJPSA-N 2 3 301.434 1.959 20 0 DDADHP CC(C)N1CCN(C2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000414709867 529039817 /nfs/dbraw/zinc/03/98/17/529039817.db2.gz QPBKKXDVRLMJKK-QZTJIDSGSA-N 2 3 322.541 1.865 20 0 DDADHP CC[NH+](CC)CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507392 711158719 /nfs/dbraw/zinc/15/87/19/711158719.db2.gz XYDCTMLRLFLOKC-HDICACEKSA-N 2 3 308.514 1.619 20 0 DDADHP CC[NH+](CC)CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507392 711158722 /nfs/dbraw/zinc/15/87/22/711158722.db2.gz XYDCTMLRLFLOKC-HDICACEKSA-N 2 3 308.514 1.619 20 0 DDADHP CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903778524 711277148 /nfs/dbraw/zinc/27/71/48/711277148.db2.gz NVJQTUVGSGXQMT-QAPCUYQASA-N 2 3 309.498 1.842 20 0 DDADHP CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903778524 711277151 /nfs/dbraw/zinc/27/71/51/711277151.db2.gz NVJQTUVGSGXQMT-QAPCUYQASA-N 2 3 309.498 1.842 20 0 DDADHP CCN1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925493720 714872941 /nfs/dbraw/zinc/87/29/41/714872941.db2.gz YVWVJAUCCOBFOO-IXDOHACOSA-N 2 3 310.530 1.756 20 0 DDADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925609280 714898705 /nfs/dbraw/zinc/89/87/05/714898705.db2.gz RSIQGTHDOXSMSC-OTWHNJEPSA-N 2 3 323.525 1.981 20 0 DDADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925609280 714898708 /nfs/dbraw/zinc/89/87/08/714898708.db2.gz RSIQGTHDOXSMSC-OTWHNJEPSA-N 2 3 323.525 1.981 20 0 DDADHP C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001205903339 871912298 /nfs/dbraw/zinc/91/22/98/871912298.db2.gz OTUCFGWAPVOMQV-APWZRJJASA-N 2 3 316.493 1.651 20 0 DDADHP CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(C)([NH+]4CCOCC4)CC3)[C@@H]2C1 ZINC001365618781 891172388 /nfs/dbraw/zinc/17/23/88/891172388.db2.gz ODAURACLGUGJRE-HCDBFFGSSA-N 2 3 321.509 1.950 20 0 DDADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@@H]4C[NH2+]C[C@@H]4O3)CCN2)cc1 ZINC001246133664 892427173 /nfs/dbraw/zinc/42/71/73/892427173.db2.gz RCZBPCNPCFLKTP-QQXKLLMISA-N 2 3 315.461 1.316 20 0 DDADHP C[C@H]1CC(NCCNCC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246405455 892608021 /nfs/dbraw/zinc/60/80/21/892608021.db2.gz PFLDPRKLSCRIJV-HOTGVXAUSA-N 2 3 304.482 1.566 20 0 DDADHP C[NH+]1CCC[C@H]1CCN1CCCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000348077164 283356998 /nfs/dbraw/zinc/35/69/98/283356998.db2.gz RDGDDMXIDSZBMH-KDURUIRLSA-N 2 3 322.541 1.963 20 0 DDADHP C[NH+]1CCC[C@H]1CCN1CCCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000348077164 283357002 /nfs/dbraw/zinc/35/70/02/283357002.db2.gz RDGDDMXIDSZBMH-KDURUIRLSA-N 2 3 322.541 1.963 20 0 DDADHP C[NH+]1CCC[C@@H]1CCN1CCCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000348077164 283357005 /nfs/dbraw/zinc/35/70/05/283357005.db2.gz RDGDDMXIDSZBMH-KDURUIRLSA-N 2 3 322.541 1.963 20 0 DDADHP C[NH+]1CCC[C@@H]1CCN1CCCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000348077164 283357009 /nfs/dbraw/zinc/35/70/09/283357009.db2.gz RDGDDMXIDSZBMH-KDURUIRLSA-N 2 3 322.541 1.963 20 0 DDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423037685 227323396 /nfs/dbraw/zinc/32/33/96/227323396.db2.gz WPPUGZPPLPLZNY-MPGHIAIKSA-N 2 3 305.466 1.859 20 0 DDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423037685 227323400 /nfs/dbraw/zinc/32/34/00/227323400.db2.gz WPPUGZPPLPLZNY-MPGHIAIKSA-N 2 3 305.466 1.859 20 0 DDADHP C[C@@H]([NH3+])C[C@@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423533659 420074422 /nfs/dbraw/zinc/07/44/22/420074422.db2.gz YDDFRBJEZYYPJN-HZPDHXFCSA-N 2 3 304.482 1.695 20 0 DDADHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@@H]1CC[NH2+]C1 ZINC000649414591 423887643 /nfs/dbraw/zinc/88/76/43/423887643.db2.gz KANRWYUTTZFIGW-GOSISDBHSA-N 2 3 322.541 1.724 20 0 DDADHP NC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665234081 424762868 /nfs/dbraw/zinc/76/28/68/424762868.db2.gz WVFYDPAPCYIMGR-SJLPKXTDSA-N 2 3 309.498 1.985 20 0 DDADHP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788475676 699317325 /nfs/dbraw/zinc/31/73/25/699317325.db2.gz IXSPPAIQOJCVIC-ROUUACIJSA-N 2 3 322.541 1.819 20 0 DDADHP C(C[NH+]1CCCC1)OC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903741134 711264753 /nfs/dbraw/zinc/26/47/53/711264753.db2.gz NFOBACVUXPIRFX-QGZVFWFLSA-N 2 3 309.498 1.953 20 0 DDADHP C[C@@H]1[NH2+]CCC[C@@H]1NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000925512578 714877496 /nfs/dbraw/zinc/87/74/96/714877496.db2.gz DBRVJXWOKIVJRP-IRXDYDNUSA-N 2 3 308.514 1.667 20 0 DDADHP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC[NH+](C2CCOCC2)CC1 ZINC000925711193 714919351 /nfs/dbraw/zinc/91/93/51/714919351.db2.gz DRTJPUWMAWZBCP-JAQSECSASA-N 2 3 319.493 1.463 20 0 DDADHP CC[NH+](CC)CCC[C@H](C)[NH+](CCN(C)C)CCN(C)C ZINC001167826511 738921488 /nfs/dbraw/zinc/92/14/88/738921488.db2.gz PKJNIDNJPVONQO-KRWDZBQOSA-N 2 3 300.535 1.922 20 0 DDADHP CN(C)CCN(C(=O)C12CCC([NH3+])(CC1)CC2)[C@H]1CCC[NH2+]C1 ZINC001161449719 866674639 /nfs/dbraw/zinc/67/46/39/866674639.db2.gz QNAUMHQRMHNGIJ-ZLPCBKJTSA-N 2 3 322.497 1.180 20 0 DDADHP c1c(CN2CCC3(C[NH2+]C3)CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001222207663 880327390 /nfs/dbraw/zinc/32/73/90/880327390.db2.gz BLKZZDYCQSYGLC-UHFFFAOYSA-N 2 3 310.445 1.930 20 0 DDADHP CCOC(=O)[C@H]1CC2(CN1CCC1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001222215504 880335296 /nfs/dbraw/zinc/33/52/96/880335296.db2.gz GJVWYEOUIXGRAC-MRXNPFEDSA-N 2 3 323.481 1.383 20 0 DDADHP c1cc(CN2CCC(N3CC[NH2+]CC3)CC2)cc2c1C[NH2+]C2 ZINC001236126788 889111438 /nfs/dbraw/zinc/11/14/38/889111438.db2.gz DODUVYQSKOLYFC-UHFFFAOYSA-N 2 3 300.450 1.159 20 0 DDADHP C(N[C@@H]1CCC[N@@H+](C2CCCC2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246140072 892436231 /nfs/dbraw/zinc/43/62/31/892436231.db2.gz DRHFPJQUVCTTHE-DLBZAZTESA-N 2 3 320.525 1.857 20 0 DDADHP C(N[C@@H]1CCC[N@H+](C2CCCC2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246140072 892436240 /nfs/dbraw/zinc/43/62/40/892436240.db2.gz DRHFPJQUVCTTHE-DLBZAZTESA-N 2 3 320.525 1.857 20 0 DDADHP CN(CCC[NH3+])CCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246285692 892517760 /nfs/dbraw/zinc/51/77/60/892517760.db2.gz UISBRLLDGIQFFX-ZWKOTPCHSA-N 2 3 304.482 1.740 20 0 DDADHP [NH3+]CCCNCCC[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001246454485 892634486 /nfs/dbraw/zinc/63/44/86/892634486.db2.gz UNRSOSNHFNLNQB-LJQANCHMSA-N 2 3 318.509 1.959 20 0 DDADHP c1ccc([C@@H]2CN([C@@H]3CSC4(C[NH2+]C4)C3)CC23C[NH2+]C3)cc1 ZINC001246623814 892747366 /nfs/dbraw/zinc/74/73/66/892747366.db2.gz NQVVRTFOUHCBLD-HOTGVXAUSA-N 2 3 315.486 1.523 20 0 DDADHP COC(=O)[C@H]1C[C@@H](N)C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246797948 892905850 /nfs/dbraw/zinc/90/58/50/892905850.db2.gz QOTRDOATSCMCPN-UONOGXRCSA-N 2 3 309.454 1.121 20 0 DDADHP COC(=O)[C@H]1C[C@@H](N)C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246797948 892905858 /nfs/dbraw/zinc/90/58/58/892905858.db2.gz QOTRDOATSCMCPN-UONOGXRCSA-N 2 3 309.454 1.121 20 0 DDADHP [NH3+]C1CCN([C@@H]2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)CC1 ZINC001246974189 893043837 /nfs/dbraw/zinc/04/38/37/893043837.db2.gz JFZIFAFSTHVIMZ-QZTJIDSGSA-N 2 3 320.525 1.939 20 0 DDADHP CCN(CC)CC[C@@H](C)[NH2+]CCCOCCOCCC[NH3+] ZINC001255946366 897167274 /nfs/dbraw/zinc/16/72/74/897167274.db2.gz UAXZZJGQRNNEMV-MRXNPFEDSA-N 2 3 303.491 1.469 20 0 DDADHP C[C@@H]1C[NH+](CC2CCN(C[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000346859999 410202546 /nfs/dbraw/zinc/20/25/46/410202546.db2.gz ZVEJSQYEFMMRRB-NUJGCVRESA-N 2 3 309.498 1.807 20 0 DDADHP Cc1c(C[C@H](C[NH3+])CNCc2ccc(CC[NH3+])cc2)cnn1C ZINC000903917765 711331274 /nfs/dbraw/zinc/33/12/74/711331274.db2.gz NGXKNCDXIGCVAS-QGZVFWFLSA-N 2 3 315.465 1.137 20 0 DDADHP [NH3+]CCCOC1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904302065 711429526 /nfs/dbraw/zinc/42/95/26/711429526.db2.gz URLQBHSTRSPVIV-UHFFFAOYSA-N 2 3 322.453 1.019 20 0 DDADHP N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817541 714943044 /nfs/dbraw/zinc/94/30/44/714943044.db2.gz PYPTWJRRHGLRIH-OALUTQOASA-N 2 3 316.493 1.841 20 0 DDADHP CN(C)CCN(C(=O)CC1(C[NH3+])CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001161444371 866671591 /nfs/dbraw/zinc/67/15/91/866671591.db2.gz GSVXSLVVVYFDCG-MRXNPFEDSA-N 2 3 324.513 1.428 20 0 DDADHP Cc1nc(NCCC[NH2+]CCCC[NH3+])cc(N2CCCC2)n1 ZINC001162288932 867412173 /nfs/dbraw/zinc/41/21/73/867412173.db2.gz AKUNRLSNLXDGOJ-UHFFFAOYSA-N 2 3 306.458 1.516 20 0 DDADHP [NH3+]CCCC[NH2+]CCCNc1cc(Cl)nc2c1CCNC2 ZINC001162292804 867416374 /nfs/dbraw/zinc/41/63/74/867416374.db2.gz QAYZWMDFCCPNMM-UHFFFAOYSA-N 2 3 311.861 1.511 20 0 DDADHP Nc1cn(C(=O)[C@H](N)CCC[NH3+])cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708596 877678535 /nfs/dbraw/zinc/67/85/35/877678535.db2.gz DPMNLTJBQYMBKS-CYBMUJFWSA-N 2 3 317.368 1.062 20 0 DDADHP C[NH+](C)CCCC[C@H](N)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001221403101 879754988 /nfs/dbraw/zinc/75/49/88/879754988.db2.gz QANCATBCTFACTH-GPANFISMSA-N 2 3 312.502 1.282 20 0 DDADHP c1cc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001235934516 889021389 /nfs/dbraw/zinc/02/13/89/889021389.db2.gz BJDXSXOINHGDEF-IAGOWNOFSA-N 2 3 300.450 1.138 20 0 DDADHP N[C@@H]1CC[N@@H+](C2CCN(C[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC001236616892 889273816 /nfs/dbraw/zinc/27/38/16/889273816.db2.gz RORAHMWDLXYSJX-IAGOWNOFSA-N 2 3 302.466 1.054 20 0 DDADHP N[C@@H]1CC[N@H+](C2CCN(C[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC001236616892 889273827 /nfs/dbraw/zinc/27/38/27/889273827.db2.gz RORAHMWDLXYSJX-IAGOWNOFSA-N 2 3 302.466 1.054 20 0 DDADHP [NH3+]CCCC[NH2+]CCCNC[C@H](O)CCOCc1ccccc1 ZINC001246010432 892328133 /nfs/dbraw/zinc/32/81/33/892328133.db2.gz NHMHPSNQXOZLLK-GOSISDBHSA-N 2 3 323.481 1.262 20 0 DDADHP C1OC2(C[C@@H]1N[C@@H]1CC[NH2+]C3(CCCCC3)C1)CC[NH2+]CC2 ZINC001246181790 892467668 /nfs/dbraw/zinc/46/76/68/892467668.db2.gz SAXSVWDQWKJECD-CVEARBPZSA-N 2 3 307.482 1.942 20 0 DDADHP c1cncc(CC2([NH2+][C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)c1 ZINC001246423344 892616892 /nfs/dbraw/zinc/61/68/92/892616892.db2.gz ZDFCEUKJBZTZEH-BJWYYQGGSA-N 2 3 300.450 1.334 20 0 DDADHP [NH3+]C1(CNC[C@@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000415135090 419961239 /nfs/dbraw/zinc/96/12/39/419961239.db2.gz PQMVFBNGDUGECL-GOSISDBHSA-N 2 3 316.493 1.569 20 0 DDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000665240048 424763835 /nfs/dbraw/zinc/76/38/35/424763835.db2.gz BOFKJFDPCZEOTH-KZNAEPCWSA-N 2 3 303.450 1.613 20 0 DDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000665240048 424763838 /nfs/dbraw/zinc/76/38/38/424763838.db2.gz BOFKJFDPCZEOTH-KZNAEPCWSA-N 2 3 303.450 1.613 20 0 DDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000849022911 703611889 /nfs/dbraw/zinc/61/18/89/703611889.db2.gz PLJMCAJJFCLESP-INIZCTEOSA-N 2 3 307.486 1.459 20 0 DDADHP C[C@H]1CC2(CN1Cc1cnnn1[C@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC000903930007 711337236 /nfs/dbraw/zinc/33/72/36/711337236.db2.gz PZFLSAGOHSAENU-GJZGRUSLSA-N 2 3 318.469 1.167 20 0 DDADHP C[C@@H]([NH3+])[C@@H](Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1 ZINC000925722904 714921624 /nfs/dbraw/zinc/92/16/24/714921624.db2.gz PDZUIPDFJZHXIW-RDTXWAMCSA-N 2 3 311.433 1.992 20 0 DDADHP [NH2+]=C(NCCCC[NH3+])Nc1cc(CN2CCCCC2)ccn1 ZINC001167877515 739161807 /nfs/dbraw/zinc/16/18/07/739161807.db2.gz DUZDPSDQNJEBTR-UHFFFAOYSA-N 2 3 304.442 1.743 20 0 DDADHP C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001205904944 871915673 /nfs/dbraw/zinc/91/56/73/871915673.db2.gz YSVUGHNBUYYLDD-JKSUJKDBSA-N 2 3 302.466 1.655 20 0 DDADHP [NH3+][C@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246016369 892335272 /nfs/dbraw/zinc/33/52/72/892335272.db2.gz KSFQTMLPYKELPO-SFHVURJKSA-N 2 3 317.477 1.827 20 0 DDADHP [NH3+][C@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246016369 892335291 /nfs/dbraw/zinc/33/52/91/892335291.db2.gz KSFQTMLPYKELPO-SFHVURJKSA-N 2 3 317.477 1.827 20 0 DDADHP O[C@@]1(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)CCCNC1 ZINC001246029060 892360877 /nfs/dbraw/zinc/36/08/77/892360877.db2.gz VEDXYGRXMJMATA-IBGZPJMESA-N 2 3 315.461 1.238 20 0 DDADHP c1ccc([C@H]2C[C@@H]([NH2+]CCCC[NH+]3CCNCC3)CCN2)cc1 ZINC001246089304 892410848 /nfs/dbraw/zinc/41/08/48/892410848.db2.gz OWOMOKJQZCLJIX-RBUKOAKNSA-N 2 3 316.493 1.755 20 0 DDADHP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CC[C@H](C)[NH2+]C3)C[C@H](C1)N2 ZINC001246101024 892414046 /nfs/dbraw/zinc/41/40/46/892414046.db2.gz UVCQIAKSWAJWPJ-VQSTVTDHSA-N 2 3 309.454 1.036 20 0 DDADHP CCOC(=O)C[C@H]([NH2+]C1C[C@@H](C)N[C@H](C)C1)C1CC[NH2+]CC1 ZINC001246225541 892488189 /nfs/dbraw/zinc/48/81/89/892488189.db2.gz DVOFWYBAJSTYND-IOASZLSFSA-N 2 3 311.470 1.426 20 0 DDADHP CCCC[C@@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1 ZINC001246374120 892580735 /nfs/dbraw/zinc/58/07/35/892580735.db2.gz KWDAWPPELZOYEH-FGTMMUONSA-N 2 3 308.514 1.713 20 0 DDADHP c1ccc(C2([NH2+][C@H]3CSC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246427038 892619915 /nfs/dbraw/zinc/61/99/15/892619915.db2.gz BFAXUGPZIXTPBT-OAHLLOKOSA-N 2 3 303.475 1.702 20 0 DDADHP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010030 893076803 /nfs/dbraw/zinc/07/68/03/893076803.db2.gz UTEJINFIJMUEAD-LSDHHAIUSA-N 2 3 321.465 1.136 20 0 DDADHP CCOC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010030 893076824 /nfs/dbraw/zinc/07/68/24/893076824.db2.gz UTEJINFIJMUEAD-LSDHHAIUSA-N 2 3 321.465 1.136 20 0 DDADHP CCOC(=O)[C@H]1CN([C@H]2CC[NH2+]C3(CCC3)C2)CCC12C[NH2+]C2 ZINC001247010030 893076844 /nfs/dbraw/zinc/07/68/44/893076844.db2.gz UTEJINFIJMUEAD-LSDHHAIUSA-N 2 3 321.465 1.136 20 0 DDADHP C[NH+](C)CCN1CCC(C[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000459406140 233172813 /nfs/dbraw/zinc/17/28/13/233172813.db2.gz KRKTVLSOZCSRSX-UHFFFAOYSA-N 2 3 308.514 1.476 20 0 DDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000568248244 304280124 /nfs/dbraw/zinc/28/01/24/304280124.db2.gz LLELEWYCNSAORY-KZNAEPCWSA-N 2 3 303.450 1.613 20 0 DDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000568248244 304280126 /nfs/dbraw/zinc/28/01/26/304280126.db2.gz LLELEWYCNSAORY-KZNAEPCWSA-N 2 3 303.450 1.613 20 0 DDADHP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178979634 300065646 /nfs/dbraw/zinc/06/56/46/300065646.db2.gz IHZDNRQWYBRIHQ-IRXDYDNUSA-N 2 3 308.514 1.476 20 0 DDADHP [NH3+][C@@H]1C[C@H](NCCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000422977412 227292870 /nfs/dbraw/zinc/29/28/70/227292870.db2.gz KBDWKMYZIXMWOQ-OLMNPRSZSA-N 2 3 303.450 1.958 20 0 DDADHP [NH3+][C@@H]1C[C@H](NCCCC[N@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000422977412 227292873 /nfs/dbraw/zinc/29/28/73/227292873.db2.gz KBDWKMYZIXMWOQ-OLMNPRSZSA-N 2 3 303.450 1.958 20 0 DDADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@@]2(C)CCCNC2)CC[NH2+]CC1 ZINC000423347678 420023108 /nfs/dbraw/zinc/02/31/08/420023108.db2.gz RRCQNZBUQMNNIV-HOCLYGCPSA-N 2 3 311.470 1.287 20 0 DDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420322981 420208985 /nfs/dbraw/zinc/20/89/85/420208985.db2.gz XKGXCFZYBOJZKS-QYZOEREBSA-N 2 3 317.477 1.239 20 0 DDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420322981 420208991 /nfs/dbraw/zinc/20/89/91/420208991.db2.gz XKGXCFZYBOJZKS-QYZOEREBSA-N 2 3 317.477 1.239 20 0 DDADHP CNC[C@](C)(O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000566567471 308057504 /nfs/dbraw/zinc/05/75/04/308057504.db2.gz QQFAUJPCSKWODR-IBGZPJMESA-N 2 3 319.493 1.801 20 0 DDADHP CNC[C@](C)(O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000566567471 308057506 /nfs/dbraw/zinc/05/75/06/308057506.db2.gz QQFAUJPCSKWODR-IBGZPJMESA-N 2 3 319.493 1.801 20 0 DDADHP CC[NH+]1CCC(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424288699 528978474 /nfs/dbraw/zinc/97/84/74/528978474.db2.gz LDQJOFKZUVHBEG-HNNXBMFYSA-N 2 3 322.497 1.051 20 0 DDADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903785045 711279688 /nfs/dbraw/zinc/27/96/88/711279688.db2.gz VEAFSXUQPMRUTA-AEFFLSMTSA-N 2 3 307.482 1.611 20 0 DDADHP