smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@H+](Cc1ccccc1)C1CCN(C(=O)[C@H](C)[NH3+])CC1	ZINC000079415539	185170216	/nfs/dbraw/zinc/17/02/16/185170216.db2.gz	SFDGTXQVHADLOM-HNNXBMFYSA-N	2	0	303.450	2.235	40	0		DEABRP
CCN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])C(C)C	ZINC000079390963	185168188	/nfs/dbraw/zinc/16/81/88/185168188.db2.gz	TYJQFPFOIKILQL-MSOLQXFVSA-N	2	0	317.477	2.483	40	0		DEABRP
COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1cccc(C)n1)CC2	ZINC000585103469	357334005	/nfs/dbraw/zinc/33/40/05/357334005.db2.gz	PEGPXURIHNHILS-MRXNPFEDSA-N	2	0	303.450	2.180	40	0		DEABRP
COc1cc(C[NH+]2CCC(CC[NH3+])CC2)cc(OC)c1OC	ZINC000015423985	182001853	/nfs/dbraw/zinc/00/18/53/182001853.db2.gz	MPBXADOUKIAZMR-UHFFFAOYSA-N	2	0	308.422	2.273	40	0		DEABRP
Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)s1	ZINC000096052283	402051643	/nfs/dbraw/zinc/05/16/43/402051643.db2.gz	NHHCRIJOALYMQZ-WBVHZDCISA-N	2	0	324.490	2.368	40	0		DEABRP
Cn1cccc1C[NH+]1CCC2(CC([NH+]3CCOCC3)C2)CC1	ZINC000096159229	402063558	/nfs/dbraw/zinc/06/35/58/402063558.db2.gz	WAZPQLVDOOEYDN-UHFFFAOYSA-N	2	0	303.450	2.102	40	0		DEABRP
CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1	ZINC000100178269	402139997	/nfs/dbraw/zinc/13/99/97/402139997.db2.gz	CZYZWFWZEROSQK-CALCHBBNSA-N	2	0	303.450	2.283	40	0		DEABRP
c1ccc(CN2CCC[C@@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2)nc1	ZINC000253595542	402669629	/nfs/dbraw/zinc/66/96/29/402669629.db2.gz	FUUNYYHRVNTBNQ-IEBWSBKVSA-N	2	0	315.461	2.406	40	0		DEABRP
C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@H+](Cc1ccccc1)C1CC1	ZINC000079415657	279391995	/nfs/dbraw/zinc/39/19/95/279391995.db2.gz	HDTPZJJEXQPPBQ-MAUKXSAKSA-N	2	0	315.461	2.379	40	0		DEABRP
CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1	ZINC000242548854	528831440	/nfs/dbraw/zinc/83/14/40/528831440.db2.gz	LWWLRYYGOOHGPF-XIRDDKMYSA-N	2	0	303.450	2.283	40	0		DEABRP
CC(C)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+]	ZINC000079404496	185169456	/nfs/dbraw/zinc/16/94/56/185169456.db2.gz	KIXPNYBZEYDUPB-DOTOQJQBSA-N	2	0	303.450	2.235	40	0		DEABRP
COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]([NH+]4CCCC4)[C@@H]3C2)cc1	ZINC000247915008	402578054	/nfs/dbraw/zinc/57/80/54/402578054.db2.gz	VRKDJJYFEHEEDW-BHIYHBOVSA-N	2	0	316.445	2.238	40	0		DEABRP
C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccc(F)cc3)C2)O1	ZINC000096052287	282121921	/nfs/dbraw/zinc/12/19/21/282121921.db2.gz	RQVPTTITIYOFHS-ROUUACIJSA-N	2	0	322.424	2.137	40	0		DEABRP
C[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000079404589	185169540	/nfs/dbraw/zinc/16/95/40/185169540.db2.gz	YFZYTIWAWVVOQN-RDJZCZTQSA-N	2	0	315.461	2.237	40	0		DEABRP
C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCOC1)Cc1ccccc1O2	ZINC000072394176	401710038	/nfs/dbraw/zinc/71/00/38/401710038.db2.gz	FPLZYVCGCFPPLG-INIZCTEOSA-N	2	0	316.445	2.382	40	0		DEABRP
COC[C@@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1scnc1C)CC2	ZINC000096207701	402069482	/nfs/dbraw/zinc/06/94/82/402069482.db2.gz	MXNGEHPSBUSTCQ-AWEZNQCLSA-N	2	0	309.479	2.384	40	0		DEABRP
COC[C@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1scnc1C)CC2	ZINC000096207700	402069808	/nfs/dbraw/zinc/06/98/08/402069808.db2.gz	MXNGEHPSBUSTCQ-CQSZACIVSA-N	2	0	309.479	2.384	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1	ZINC000079415761	185170936	/nfs/dbraw/zinc/17/09/36/185170936.db2.gz	HKERXCLCSMZTLD-ROUUACIJSA-N	2	0	317.477	2.340	40	0		DEABRP
CN(CC[NH+](C)C)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1	ZINC000072394682	191149498	/nfs/dbraw/zinc/14/94/98/191149498.db2.gz	QKPNLIFNAKAXGC-UHFFFAOYSA-N	2	0	315.465	2.023	40	0		DEABRP
CC[NH+](CC)CC[C@@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21	ZINC000585112441	357335216	/nfs/dbraw/zinc/33/52/16/357335216.db2.gz	QSGLAAXLYASMLQ-GOSISDBHSA-N	2	0	320.481	2.398	40	0		DEABRP
C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O	ZINC000585288574	357344892	/nfs/dbraw/zinc/34/48/92/357344892.db2.gz	FBDATNHNGXDDJB-RCCFBDPRSA-N	2	0	306.450	2.279	40	0		DEABRP
CCN1CCC[N@H+](CC)CCN(CC)CCC[NH+](CC)CC1	ZINC000038428364	401922938	/nfs/dbraw/zinc/92/29/38/401922938.db2.gz	SUFAWONXXWKZQG-UHFFFAOYSA-N	2	0	312.546	2.068	40	0		DEABRP
COc1ccc(C[NH+]2CCC3(C[C@H]([NH+](C)C)CO3)CC2)cc1	ZINC000096047923	402051334	/nfs/dbraw/zinc/05/13/34/402051334.db2.gz	IPDQESYUCSUNQZ-INIZCTEOSA-N	2	0	304.434	2.380	40	0		DEABRP
c1ccc(C[NH+]2CCC3(CC[N@@H+]([C@@H]4CCOC4)C3)CC2)nc1	ZINC000096157568	402063362	/nfs/dbraw/zinc/06/33/62/402063362.db2.gz	BLTGDXNEUWMVHW-QGZVFWFLSA-N	2	0	301.434	2.158	40	0		DEABRP
C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3cccs3)C2)O1	ZINC000096052274	282135823	/nfs/dbraw/zinc/13/58/23/282135823.db2.gz	YUIPJUFKZGTYBD-GDBMZVCRSA-N	2	0	310.463	2.060	40	0		DEABRP
[NH3+]CC(=O)N[C@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415324	185170463	/nfs/dbraw/zinc/17/04/63/185170463.db2.gz	VHONRWKVLKYBPO-IRXDYDNUSA-N	2	0	301.434	2.037	40	0		DEABRP
CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079404508	185169432	/nfs/dbraw/zinc/16/94/32/185169432.db2.gz	VHTNRLHRFKFGFR-DOTOQJQBSA-N	2	0	303.450	2.235	40	0		DEABRP
C[NH+](C)CCO[C@H]1C[N@H+](Cc2ccc(F)cc2)[C@@H]2CCCO[C@@H]21	ZINC000096057453	402053334	/nfs/dbraw/zinc/05/33/34/402053334.db2.gz	FJCKEDGBPJKYGA-SQNIBIBYSA-N	2	0	322.424	2.136	40	0		DEABRP
C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000333591658	403787355	/nfs/dbraw/zinc/78/73/55/403787355.db2.gz	PEJDPLPNHQCXEU-XJNFMUPTSA-N	2	0	322.497	2.209	40	0		DEABRP
c1ccc(C[NH+]2CCC3(CC[N@@H+]([C@H]4CCOC4)C3)CC2)nc1	ZINC000096157569	402063390	/nfs/dbraw/zinc/06/33/90/402063390.db2.gz	BLTGDXNEUWMVHW-KRWDZBQOSA-N	2	0	301.434	2.158	40	0		DEABRP
O=C1Nc2ccccc2C12CCC([NH2+]CC1=CC[NH2+]CC1)CC2	ZINC000333286735	403716781	/nfs/dbraw/zinc/71/67/81/403716781.db2.gz	NLJQXGFIHBIRHD-UHFFFAOYSA-N	2	0	311.429	2.328	40	0		DEABRP
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1	ZINC000079415484	279239699	/nfs/dbraw/zinc/23/96/99/279239699.db2.gz	BVQBINCPPIXRPX-RDJZCZTQSA-N	2	0	303.450	2.094	40	0		DEABRP
[NH3+]CC(=O)N[C@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415321	303367142	/nfs/dbraw/zinc/36/71/42/303367142.db2.gz	VHONRWKVLKYBPO-DLBZAZTESA-N	2	0	301.434	2.037	40	0		DEABRP
Cc1cc(N2CC[NH+](CC3CC3)CC2)cc([C@@H]2CCC[NH2+]2)n1	ZINC000019697994	401822977	/nfs/dbraw/zinc/82/29/77/401822977.db2.gz	IWVZEMCDOVUVBP-KRWDZBQOSA-N	2	0	300.450	2.347	40	0		DEABRP
COC[C@H]1C[N@H+](CC(C)C)CC12CC[NH+](C1CCOCC1)CC2	ZINC000248218019	402585317	/nfs/dbraw/zinc/58/53/17/402585317.db2.gz	HBWBPFSPHCTVHE-QGZVFWFLSA-N	2	0	324.509	2.482	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1	ZINC000079415711	280272099	/nfs/dbraw/zinc/27/20/99/280272099.db2.gz	MMWQYVUUWKXYLN-SJORKVTESA-N	2	0	303.450	2.093	40	0		DEABRP
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1	ZINC000079428781	185171234	/nfs/dbraw/zinc/17/12/34/185171234.db2.gz	ZVJSZWLJMWYCSU-KRWDZBQOSA-N	2	0	303.450	2.094	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079394292	185168846	/nfs/dbraw/zinc/16/88/46/185168846.db2.gz	NMPUBZIIOZLDBX-IRXDYDNUSA-N	2	0	303.450	2.093	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000079404684	185169558	/nfs/dbraw/zinc/16/95/58/185169558.db2.gz	JJBBCQQKPUMVNM-MSOLQXFVSA-N	2	0	317.477	2.481	40	0		DEABRP
CCOC(=O)C(CC[NH+](C)C)(CC[NH+](C)C)c1ccccc1	ZINC000001593319	180877381	/nfs/dbraw/zinc/87/73/81/180877381.db2.gz	CUEIAIGRDVRBNR-UHFFFAOYSA-N	2	0	306.450	2.391	40	0		DEABRP
CCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](C[NH+](C)C)N2c2nccs2)C1	ZINC000096185582	402065801	/nfs/dbraw/zinc/06/58/01/402065801.db2.gz	ZXYXDPSFCBJEQV-ILXRZTDVSA-N	2	0	308.495	2.384	40	0		DEABRP
c1cnc2[nH]c([C@@H]3CCC[NH2+]C3)c(C[N@@H+]3CCCOCC3)c2c1	ZINC000072394711	191149020	/nfs/dbraw/zinc/14/90/20/191149020.db2.gz	OKGWSCQWALAILB-CQSZACIVSA-N	2	0	314.433	2.252	40	0		DEABRP
Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C)CO3)C2)s1	ZINC000107738579	402239663	/nfs/dbraw/zinc/23/96/63/402239663.db2.gz	FOPSIGWHEHBWMQ-DOTOQJQBSA-N	2	0	324.490	2.226	40	0		DEABRP
CN1C(=O)N[C@@]12[C@@H](C1(C[NH3+])CCCCC1)CCC[C@@]2(C)[NH+](C)C	ZINC000521825337	406367118	/nfs/dbraw/zinc/36/71/18/406367118.db2.gz	DZJZGMJZANDJJJ-KYJSFNMBSA-N	2	0	322.497	2.367	40	0		DEABRP
CC(C)[N@@H+]1CCOC[C@]2(CC[C@@H](C[NH2+]Cc3cccs3)O2)C1	ZINC000306125176	529045966	/nfs/dbraw/zinc/04/59/66/529045966.db2.gz	CIIKADJYZREJIQ-RDJZCZTQSA-N	2	0	324.490	2.496	40	0		DEABRP
CCN(C(=O)[C@@H]([NH3+])C(C)C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000079404661	185169694	/nfs/dbraw/zinc/16/96/94/185169694.db2.gz	VBWANAQINFAGIP-SFHVURJKSA-N	2	0	317.477	2.483	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1	ZINC000079390952	185168212	/nfs/dbraw/zinc/16/82/12/185168212.db2.gz	QEQQXPRIGNCKOS-SFHVURJKSA-N	2	0	317.477	2.340	40	0		DEABRP
CCN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])C(C)C	ZINC000079390960	185168246	/nfs/dbraw/zinc/16/82/46/185168246.db2.gz	TYJQFPFOIKILQL-ROUUACIJSA-N	2	0	317.477	2.483	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000079404656	185169535	/nfs/dbraw/zinc/16/95/35/185169535.db2.gz	WYAPIJUGIDSORX-SJORKVTESA-N	2	0	303.450	2.093	40	0		DEABRP
COc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@H]([NH+](C)C)CCO2	ZINC000096207942	402069453	/nfs/dbraw/zinc/06/94/53/402069453.db2.gz	UTOFNHYDBQAOJS-SJLPKXTDSA-N	2	0	304.434	2.380	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000079415733	185170966	/nfs/dbraw/zinc/17/09/66/185170966.db2.gz	NOLKJRMZGDVJCJ-IRXDYDNUSA-N	2	0	303.450	2.093	40	0		DEABRP
C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](C1CCOCC1)CC2	ZINC000585104266	357334520	/nfs/dbraw/zinc/33/45/20/357334520.db2.gz	XMJNOBAXNWBCOL-KRWDZBQOSA-N	2	0	322.493	2.236	40	0		DEABRP
Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C)CO3)C2)s1	ZINC000096051936	402051948	/nfs/dbraw/zinc/05/19/48/402051948.db2.gz	FOPSIGWHEHBWMQ-NVXWUHKLSA-N	2	0	324.490	2.226	40	0		DEABRP
CN1C(=O)N[C@]12[C@H](C1(C[NH3+])CCCCC1)CCC[C@@]2(C)[NH+](C)C	ZINC000521825340	406367337	/nfs/dbraw/zinc/36/73/37/406367337.db2.gz	DZJZGMJZANDJJJ-YXJHDRRASA-N	2	0	322.497	2.367	40	0		DEABRP
CC[C@@H]([NH3+])C(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21	ZINC000096156951	280163936	/nfs/dbraw/zinc/16/39/36/280163936.db2.gz	WXZOIWYXSVCGRS-CYBMUJFWSA-N	2	0	307.825	2.045	40	0		DEABRP
CC[N@H+](Cc1ccccc1)C1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1	ZINC000079415834	185170876	/nfs/dbraw/zinc/17/08/76/185170876.db2.gz	SMNQMGFPLSTUTL-SFHVURJKSA-N	2	0	317.477	2.483	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079391081	401872560	/nfs/dbraw/zinc/87/25/60/401872560.db2.gz	MOVWGAXHOOSYJW-MSOLQXFVSA-N	2	0	315.461	2.235	40	0		DEABRP
c1cncc(C[NH+]2CCO[C@@H]3C[N@H+](CC4CC4)CC[C@@H]3C2)c1	ZINC000096055169	402052963	/nfs/dbraw/zinc/05/29/63/402052963.db2.gz	QJSLJHZIADAUNC-QZTJIDSGSA-N	2	0	301.434	2.014	40	0		DEABRP
Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C)O3)C2)s1	ZINC000107739489	402240161	/nfs/dbraw/zinc/24/01/61/402240161.db2.gz	NHHCRIJOALYMQZ-DOTOQJQBSA-N	2	0	324.490	2.368	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079394299	185168748	/nfs/dbraw/zinc/16/87/48/185168748.db2.gz	BZTXXBHXYHGLPN-ROUUACIJSA-N	2	0	317.477	2.340	40	0		DEABRP
COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccoc1)CC2	ZINC000585104306	357334064	/nfs/dbraw/zinc/33/40/64/357334064.db2.gz	YLJGXTCIUMGNOP-QGZVFWFLSA-N	2	0	322.449	2.086	40	0		DEABRP
COc1ccc(C[NH+]2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)cc1	ZINC000096047922	402051056	/nfs/dbraw/zinc/05/10/56/402051056.db2.gz	IPDQESYUCSUNQZ-MRXNPFEDSA-N	2	0	304.434	2.380	40	0		DEABRP
O=C([C@H]1CCC[NH2+]1)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21	ZINC000096156942	402062683	/nfs/dbraw/zinc/06/26/83/402062683.db2.gz	BJAPNGKJAIHLEU-CQSZACIVSA-N	2	0	319.836	2.060	40	0		DEABRP
COCC[NH+]1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1	ZINC000096071789	402056254	/nfs/dbraw/zinc/05/62/54/402056254.db2.gz	OLMSGMUHZCDRAR-UHFFFAOYSA-N	2	0	303.450	2.406	40	0		DEABRP
COc1cccc(C[N@@H+]2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)c1	ZINC000096207289	402069413	/nfs/dbraw/zinc/06/94/13/402069413.db2.gz	TXHXKLQHLOZNAU-SJLPKXTDSA-N	2	0	304.434	2.380	40	0		DEABRP
C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1	ZINC000096216602	402070208	/nfs/dbraw/zinc/07/02/08/402070208.db2.gz	VQIFAGNKWSMTDW-MJGOQNOKSA-N	2	0	315.461	2.262	40	0		DEABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1cnn(C)c1)CC2	ZINC000096240297	402074285	/nfs/dbraw/zinc/07/42/85/402074285.db2.gz	GNAJOKKSPVGKFX-QGZVFWFLSA-N	2	0	320.481	2.131	40	0		DEABRP
CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1	ZINC000079415489	185170231	/nfs/dbraw/zinc/17/02/31/185170231.db2.gz	BVQBINCPPIXRPX-DOTOQJQBSA-N	2	0	303.450	2.094	40	0		DEABRP
CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+]	ZINC000079415505	185170352	/nfs/dbraw/zinc/17/03/52/185170352.db2.gz	TVSXZBNHJPRRAT-XIRDDKMYSA-N	2	0	303.450	2.283	40	0		DEABRP
CC(C)[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C)[NH3+])CC1	ZINC000079415573	185170508	/nfs/dbraw/zinc/17/05/08/185170508.db2.gz	AHDZBSHKBXYYIP-INIZCTEOSA-N	2	0	317.477	2.483	40	0		DEABRP
CC[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000079415794	185170768	/nfs/dbraw/zinc/17/07/68/185170768.db2.gz	DXIGMKZFXBROMY-SJORKVTESA-N	2	0	303.450	2.093	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1	ZINC000079415748	185170892	/nfs/dbraw/zinc/17/08/92/185170892.db2.gz	YONCFBHZNODWJW-MSOLQXFVSA-N	2	0	317.477	2.483	40	0		DEABRP
C[N@H+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3)C[C@@H]21	ZINC000096183104	355698776	/nfs/dbraw/zinc/69/87/76/355698776.db2.gz	QSSNFRSHMCKRHT-YRXWBPOGSA-N	2	0	315.461	2.403	40	0		DEABRP
C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccsc3)C2)O1	ZINC000096052277	402051747	/nfs/dbraw/zinc/05/17/47/402051747.db2.gz	NOVMIMVTLUHJPV-JKSUJKDBSA-N	2	0	310.463	2.060	40	0		DEABRP
c1cncc(C[N@@H+]2CCC3(C2)CC[NH+]([C@H]2CCOC2)CC3)c1	ZINC000096157418	402063379	/nfs/dbraw/zinc/06/33/79/402063379.db2.gz	WFLOOSGCKIQGIM-KRWDZBQOSA-N	2	0	301.434	2.158	40	0		DEABRP
C[C@H]([NH3+])C(=O)NC1CCC([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079415682	185170975	/nfs/dbraw/zinc/17/09/75/185170975.db2.gz	WWKWDFDVFDZMQR-OOHWJJMZSA-N	2	0	315.461	2.426	40	0		DEABRP
c1cnc2[nH]c([C@H]3CCC[NH2+]C3)c(C[N@@H+]3CCCOCC3)c2c1	ZINC000072394712	191149461	/nfs/dbraw/zinc/14/94/61/191149461.db2.gz	OKGWSCQWALAILB-AWEZNQCLSA-N	2	0	314.433	2.252	40	0		DEABRP
C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2	ZINC000096158616	193556244	/nfs/dbraw/zinc/55/62/44/193556244.db2.gz	FYHFNZLCNOFMAO-HNNXBMFYSA-N	2	0	318.417	2.100	40	0		DEABRP
COc1ccc(CN(CC[NH3+])[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000019358906	182117763	/nfs/dbraw/zinc/11/77/63/182117763.db2.gz	UAAWLEXGHZWUTA-RKVPGOIHSA-N	2	0	305.466	2.185	40	0		DEABRP
O=C(NC1CCC1)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1	ZINC000096260825	402075530	/nfs/dbraw/zinc/07/55/30/402075530.db2.gz	LKANLVBPHRWCEY-UHFFFAOYSA-N	2	0	319.493	2.242	40	0		DEABRP
C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000333591659	268958118	/nfs/dbraw/zinc/95/81/18/268958118.db2.gz	PEJDPLPNHQCXEU-XOSAIJSUSA-N	2	0	322.497	2.209	40	0		DEABRP
C[C@H]([NH3+])C(=O)N1CCC(C[N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079415679	185170894	/nfs/dbraw/zinc/17/08/94/185170894.db2.gz	YMIKLABWPWZWDE-HNNXBMFYSA-N	2	0	315.461	2.237	40	0		DEABRP
CC(C)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+]	ZINC000079404534	185169405	/nfs/dbraw/zinc/16/94/05/185169405.db2.gz	PYZNTYXCXWJKQO-WMZOPIPTSA-N	2	0	317.477	2.483	40	0		DEABRP
CC(C)N(C(=O)[C@H](C)[NH3+])C1CC[NH+](Cc2ccccc2)CC1	ZINC000079404517	185169571	/nfs/dbraw/zinc/16/95/71/185169571.db2.gz	LLOLPYONTFPIQM-HNNXBMFYSA-N	2	0	303.450	2.235	40	0		DEABRP
CCc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000172246277	198064518	/nfs/dbraw/zinc/06/45/18/198064518.db2.gz	BVOGRZRHIGWOFV-UHFFFAOYSA-N	2	0	317.477	2.139	40	0		DEABRP
CN(C)C[C@@H](CC1=C(C[C@H](CN(C)C)[NH+](C)C)CCC1)[NH+](C)C	ZINC000019365236	182118284	/nfs/dbraw/zinc/11/82/84/182118284.db2.gz	LAAYVNAGMUFKIX-RTBURBONSA-N	2	0	324.557	2.231	40	0		DEABRP
CC(C)N(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+]	ZINC000079404270	401873330	/nfs/dbraw/zinc/87/33/30/401873330.db2.gz	YNOIEABWRWTEAQ-QGZVFWFLSA-N	2	0	303.450	2.237	40	0		DEABRP
CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+]	ZINC000079393803	185169042	/nfs/dbraw/zinc/16/90/42/185169042.db2.gz	DEFNQEILKZXQAF-IRXDYDNUSA-N	2	0	303.450	2.283	40	0		DEABRP
CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079404511	185169574	/nfs/dbraw/zinc/16/95/74/185169574.db2.gz	VHTNRLHRFKFGFR-RDJZCZTQSA-N	2	0	303.450	2.235	40	0		DEABRP
COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1cccc(C)n1)CC2	ZINC000585103452	357334460	/nfs/dbraw/zinc/33/44/60/357334460.db2.gz	PEGPXURIHNHILS-INIZCTEOSA-N	2	0	303.450	2.180	40	0		DEABRP
COCC[N@@H+]1CC2(C[C@H]1COC)CC[NH+](C1CCCC1)CC2	ZINC000096218986	285009106	/nfs/dbraw/zinc/00/91/06/285009106.db2.gz	HLEUJLXVVQNJIY-KRWDZBQOSA-N	2	0	310.482	2.378	40	0		DEABRP
C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccsc3)C2)O1	ZINC000096052278	402051870	/nfs/dbraw/zinc/05/18/70/402051870.db2.gz	NOVMIMVTLUHJPV-HZPDHXFCSA-N	2	0	310.463	2.060	40	0		DEABRP
C[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3cccs3)C2)O1	ZINC000096052276	402051881	/nfs/dbraw/zinc/05/18/81/402051881.db2.gz	YUIPJUFKZGTYBD-ZBFHGGJFSA-N	2	0	310.463	2.060	40	0		DEABRP
C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000100177575	402139919	/nfs/dbraw/zinc/13/99/19/402139919.db2.gz	WWKWDFDVFDZMQR-BHYGNILZSA-N	2	0	315.461	2.426	40	0		DEABRP
Cc1nc(NCC[NH+](C)C)cc(N2CCc3ccccc3C2)[nH+]1	ZINC000244149371	402447092	/nfs/dbraw/zinc/44/70/92/402447092.db2.gz	UTZKAPDYLGTOKH-UHFFFAOYSA-N	2	0	311.433	2.321	40	0		DEABRP
C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000333591657	403787184	/nfs/dbraw/zinc/78/71/84/403787184.db2.gz	PEJDPLPNHQCXEU-MUIFIZLQSA-N	2	0	322.497	2.209	40	0		DEABRP
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1	ZINC000079415545	185170523	/nfs/dbraw/zinc/17/05/23/185170523.db2.gz	LVXROEGSEFOWCH-WMZOPIPTSA-N	2	0	317.477	2.483	40	0		DEABRP
C[N@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3)C[C@@H]21	ZINC000096183101	355698888	/nfs/dbraw/zinc/69/88/88/355698888.db2.gz	QSSNFRSHMCKRHT-AKHDSKFASA-N	2	0	315.461	2.403	40	0		DEABRP
COc1ccc(CN(CC[NH3+])[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000022579158	401826947	/nfs/dbraw/zinc/82/69/47/401826947.db2.gz	UAAWLEXGHZWUTA-VKJFTORMSA-N	2	0	305.466	2.185	40	0		DEABRP
Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3C2)cc1	ZINC000096161738	402064204	/nfs/dbraw/zinc/06/42/04/402064204.db2.gz	VNNCZMXQRWTGPH-QRVBRYPASA-N	2	0	300.446	2.395	40	0		DEABRP
CC(C)[N@H+](C)Cc1cncc2c1CC[NH+](C1CCOCC1)C2	ZINC000096189470	402066775	/nfs/dbraw/zinc/06/67/75/402066775.db2.gz	FRFANMLMYYVUFI-UHFFFAOYSA-N	2	0	303.450	2.459	40	0		DEABRP
COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000247814743	402576219	/nfs/dbraw/zinc/57/62/19/402576219.db2.gz	APSFFDABSNAPNU-INIZCTEOSA-N	2	0	322.449	2.086	40	0		DEABRP
COCC[NH+]1CCN(c2c(C)cnc3c(OC)cccc32)CC1	ZINC000302730164	403717040	/nfs/dbraw/zinc/71/70/40/403717040.db2.gz	VJBHSEAFGLFJFN-UHFFFAOYSA-N	2	0	315.417	2.320	40	0		DEABRP
CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1	ZINC000079428778	185171206	/nfs/dbraw/zinc/17/12/06/185171206.db2.gz	ZVJSZWLJMWYCSU-QGZVFWFLSA-N	2	0	303.450	2.094	40	0		DEABRP
CC[NH+](CC)CC[C@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21	ZINC000585112444	357335074	/nfs/dbraw/zinc/33/50/74/357335074.db2.gz	QSGLAAXLYASMLQ-SFHVURJKSA-N	2	0	320.481	2.398	40	0		DEABRP
C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O	ZINC000585289980	357345076	/nfs/dbraw/zinc/34/50/76/357345076.db2.gz	PAXLINRCDDRZDL-GVDBMIGSSA-N	2	0	310.413	2.028	40	0		DEABRP
COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C[NH+](C)C)OC[C@@H]3C2)cc1	ZINC000096057583	402053719	/nfs/dbraw/zinc/05/37/19/402053719.db2.gz	JYLHMDMDEUISAD-SZMVWBNQSA-N	2	0	304.434	2.094	40	0		DEABRP
CCN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+]	ZINC000079404481	185169673	/nfs/dbraw/zinc/16/96/73/185169673.db2.gz	OQAPIUONOOXKQG-RDJZCZTQSA-N	2	0	303.450	2.094	40	0		DEABRP
COc1c2c(c([C@](C)([NH3+])C(C)C)c3c1C[N@H+](C)CC3)OCO2	ZINC000242648387	257119913	/nfs/dbraw/zinc/11/99/13/257119913.db2.gz	QVZVSMNKZXNHGC-QGZVFWFLSA-N	2	0	306.406	2.242	40	0		DEABRP
C[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccsc3)C2)O1	ZINC000096052280	402051456	/nfs/dbraw/zinc/05/14/56/402051456.db2.gz	NOVMIMVTLUHJPV-CVEARBPZSA-N	2	0	310.463	2.060	40	0		DEABRP
CN1C(=O)N[C@@]12[C@H](C1(C[NH3+])CCCCC1)CCC[C@@]2(C)[NH+](C)C	ZINC000521825338	262505197	/nfs/dbraw/zinc/50/51/97/262505197.db2.gz	DZJZGMJZANDJJJ-LESCRADOSA-N	2	0	322.497	2.367	40	0		DEABRP
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH3+]	ZINC000079415477	279239733	/nfs/dbraw/zinc/23/97/33/279239733.db2.gz	PSCBSRNHNTXOPI-RDJZCZTQSA-N	2	0	303.450	2.237	40	0		DEABRP
C[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079404580	185169639	/nfs/dbraw/zinc/16/96/39/185169639.db2.gz	MLCZKCATIVVTFZ-YJBOKZPZSA-N	2	0	315.461	2.379	40	0		DEABRP
CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](CC1CC1)CCC2	ZINC000096055919	402052634	/nfs/dbraw/zinc/05/26/34/402052634.db2.gz	WOUMJWAEUKKBLZ-WMZOPIPTSA-N	2	0	308.466	2.382	40	0		DEABRP
C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1	ZINC000096186065	402065736	/nfs/dbraw/zinc/06/57/36/402065736.db2.gz	VOKNWVZBSJUXOH-ULQDDVLXSA-N	2	0	324.490	2.448	40	0		DEABRP
Cc1cc(C[n+]2cccc(N)c2)c(C)cc1C[n+]1cccc(N)c1	ZINC000005534882	1071479863	/nfs/dbraw/zinc/47/98/63/1071479863.db2.gz	RESNUHSOTUSFIS-UHFFFAOYSA-N	2	0	320.440	2.139	40	0		DEABRP
CC[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000079415801	185170887	/nfs/dbraw/zinc/17/08/87/185170887.db2.gz	DXIGMKZFXBROMY-IRXDYDNUSA-N	2	0	303.450	2.093	40	0		DEABRP
CC(C)N(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H](C)[NH3+]	ZINC000079404536	185169588	/nfs/dbraw/zinc/16/95/88/185169588.db2.gz	UIKRVADDRCJBOH-INIZCTEOSA-N	2	0	317.477	2.483	40	0		DEABRP
C[NH+](C)CCC[N@H+](C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O	ZINC000585289667	357345202	/nfs/dbraw/zinc/34/52/02/357345202.db2.gz	LTNZICNZJUXHLO-RCCFBDPRSA-N	2	0	324.440	2.370	40	0		DEABRP
C[N@@H+]1CCC[C@H](NC(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1	ZINC000257314102	203039259	/nfs/dbraw/zinc/03/92/59/203039259.db2.gz	UVHQRSLCSIVENV-INIZCTEOSA-N	2	0	324.428	2.031	40	0		DEABRP
CC(C)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+]	ZINC000079404495	401873118	/nfs/dbraw/zinc/87/31/18/401873118.db2.gz	KIXPNYBZEYDUPB-RDJZCZTQSA-N	2	0	303.450	2.235	40	0		DEABRP
COc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004785349	181151852	/nfs/dbraw/zinc/15/18/52/181151852.db2.gz	YPTJQGIRFIIISJ-IIDMSEBBSA-N	2	0	306.450	2.266	40	0		DEABRP
COc1ccc(C[N@@H+]2CCOC[C@@H](CC[NH+](C)C)[C@@H]2C)cc1	ZINC000306125961	533563532	/nfs/dbraw/zinc/56/35/32/533563532.db2.gz	DHGGOCVWPNVOBS-DOTOQJQBSA-N	2	0	306.450	2.484	40	0		DEABRP
CC(C)[NH+]1CCC(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CC1	ZINC000257266217	402710873	/nfs/dbraw/zinc/71/08/73/402710873.db2.gz	MCAFGJKRUVAMMJ-GOSISDBHSA-N	2	0	315.461	2.280	40	0		DEABRP
CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+]	ZINC000079404473	276138693	/nfs/dbraw/zinc/13/86/93/276138693.db2.gz	GICXNEJWZRLKES-DOTOQJQBSA-N	2	0	303.450	2.237	40	0		DEABRP
CC(C)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)C[NH3+]	ZINC000079404271	185169242	/nfs/dbraw/zinc/16/92/42/185169242.db2.gz	RPNBHAUHIRUVMU-QGZVFWFLSA-N	2	0	303.450	2.094	40	0		DEABRP
C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O	ZINC000585290068	357344667	/nfs/dbraw/zinc/34/46/67/357344667.db2.gz	ZLKISWSNSLRDQB-RCCFBDPRSA-N	2	0	324.440	2.418	40	0		DEABRP
Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)[C@H]1O	ZINC000585288458	357344760	/nfs/dbraw/zinc/34/47/60/357344760.db2.gz	AXLDRYNCALLUJB-CGTJXYLNSA-N	2	0	306.450	2.197	40	0		DEABRP
c1ccc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)nc1	ZINC000096047953	285474372	/nfs/dbraw/zinc/47/43/72/285474372.db2.gz	JDFCCDXYCAWBCV-QGZVFWFLSA-N	2	0	301.434	2.301	40	0		DEABRP
c1cc(C[NH+]2CCO[C@@H]3C[N@H+](CC4CC4)CC[C@@H]3C2)ccn1	ZINC000096055186	402052413	/nfs/dbraw/zinc/05/24/13/402052413.db2.gz	KSIYJAMICDLLAW-QZTJIDSGSA-N	2	0	301.434	2.014	40	0		DEABRP
COC[C@@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1cccnc1OC)CC2	ZINC000096209119	402070512	/nfs/dbraw/zinc/07/05/12/402070512.db2.gz	VFWUDHGASHVOPO-INIZCTEOSA-N	2	0	319.449	2.023	40	0		DEABRP
CC[NH+](CC)Cc1cnc2n1CC[N@@H+](Cc1ccoc1)CC2	ZINC000096196823	402067511	/nfs/dbraw/zinc/06/75/11/402067511.db2.gz	XJUGAOUYUOZZIG-UHFFFAOYSA-N	2	0	302.422	2.376	40	0		DEABRP
COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000247814746	402576422	/nfs/dbraw/zinc/57/64/22/402576422.db2.gz	APSFFDABSNAPNU-MRXNPFEDSA-N	2	0	322.449	2.086	40	0		DEABRP
CC(C)N(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)C[NH3+]	ZINC000079404276	185169139	/nfs/dbraw/zinc/16/91/39/185169139.db2.gz	UDVFIAFZCZEDOA-UHFFFAOYSA-N	2	0	303.450	2.094	40	0		DEABRP
Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)s1	ZINC000096056475	402052997	/nfs/dbraw/zinc/05/29/97/402052997.db2.gz	VMTKIQPRBKXOJL-HZPDHXFCSA-N	2	0	321.490	2.183	40	0		DEABRP
CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+]	ZINC000249696760	528831503	/nfs/dbraw/zinc/83/15/03/528831503.db2.gz	TVSXZBNHJPRRAT-UAGQMJEPSA-N	2	0	303.450	2.283	40	0		DEABRP
C[NH+](C)CCN1CCC2(CC[NH+](Cc3ccsc3)CC2)C1=O	ZINC000096046784	193499283	/nfs/dbraw/zinc/49/92/83/193499283.db2.gz	DQYNYIBHSFOUMT-UHFFFAOYSA-N	2	0	321.490	2.124	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079391078	401872288	/nfs/dbraw/zinc/87/22/88/401872288.db2.gz	MOVWGAXHOOSYJW-ROUUACIJSA-N	2	0	315.461	2.235	40	0		DEABRP
c1cncc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)c1	ZINC000096047954	402051084	/nfs/dbraw/zinc/05/10/84/402051084.db2.gz	DXFOLTYPABODIY-KRWDZBQOSA-N	2	0	301.434	2.301	40	0		DEABRP
C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccc(F)cc3)C2)O1	ZINC000096052285	402051828	/nfs/dbraw/zinc/05/18/28/402051828.db2.gz	RQVPTTITIYOFHS-ZWKOTPCHSA-N	2	0	322.424	2.137	40	0		DEABRP
Cc1ccc(C[N@H+]2C[C@H](OCC[NH+](C)C)[C@H]3OCCC[C@H]32)s1	ZINC000096057452	402053173	/nfs/dbraw/zinc/05/31/73/402053173.db2.gz	AHHGRQIYKYUQRY-IKGGRYGDSA-N	2	0	324.490	2.367	40	0		DEABRP
CCc1ccc(C[N@H+]2CCc3ncc(C[NH+](C)C)n3CC2)o1	ZINC000096196779	402067327	/nfs/dbraw/zinc/06/73/27/402067327.db2.gz	OPKPRXGYPVHTBE-UHFFFAOYSA-N	2	0	302.422	2.158	40	0		DEABRP
CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1	ZINC000100177583	402140042	/nfs/dbraw/zinc/14/00/42/402140042.db2.gz	LWWLRYYGOOHGPF-BHYGNILZSA-N	2	0	303.450	2.283	40	0		DEABRP
CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000079390955	185168239	/nfs/dbraw/zinc/16/82/39/185168239.db2.gz	MSNTYAIUUBUPOR-SJORKVTESA-N	2	0	303.450	2.093	40	0		DEABRP
CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+]	ZINC000079404478	185169519	/nfs/dbraw/zinc/16/95/19/185169519.db2.gz	OQAPIUONOOXKQG-DOTOQJQBSA-N	2	0	303.450	2.094	40	0		DEABRP
C[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000079404585	185169531	/nfs/dbraw/zinc/16/95/31/185169531.db2.gz	YFZYTIWAWVVOQN-DOTOQJQBSA-N	2	0	315.461	2.237	40	0		DEABRP
NNC(=[NH2+])SCCCCCCCCCCSC(=[NH2+])NN	ZINC000017289602	182081023	/nfs/dbraw/zinc/08/10/23/182081023.db2.gz	MHQWBTUUAVHEJE-UHFFFAOYSA-N	2	0	320.532	2.370	40	0		DEABRP
CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000079390957	185167939	/nfs/dbraw/zinc/16/79/39/185167939.db2.gz	MSNTYAIUUBUPOR-IRXDYDNUSA-N	2	0	303.450	2.093	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000079394276	185169000	/nfs/dbraw/zinc/16/90/00/185169000.db2.gz	WYAPIJUGIDSORX-IRXDYDNUSA-N	2	0	303.450	2.093	40	0		DEABRP
C[NH+](C)CCNC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000172159189	198049124	/nfs/dbraw/zinc/04/91/24/198049124.db2.gz	AFSSPXRQGIWGRW-RMKNXTFCSA-N	2	0	315.461	2.090	40	0		DEABRP
CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)C[NH3+]	ZINC000101667125	355709990	/nfs/dbraw/zinc/70/99/90/355709990.db2.gz	DEFNQEILKZXQAF-SJORKVTESA-N	2	0	303.450	2.283	40	0		DEABRP
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C[NH+]1CCCC1	ZINC000005730636	181277850	/nfs/dbraw/zinc/27/78/50/181277850.db2.gz	RVSRDNZLKOKNCE-WMZOPIPTSA-N	2	0	313.445	2.225	40	0		DEABRP
COC[C@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH+](C)CC2	ZINC000585103817	357333843	/nfs/dbraw/zinc/33/38/43/357333843.db2.gz	RSLKQRQNWWOVJB-CQSZACIVSA-N	2	0	309.479	2.242	40	0		DEABRP
Cc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CC4)CCO[C@@H]3C2)n1	ZINC000096249655	402074409	/nfs/dbraw/zinc/07/44/09/402074409.db2.gz	KMBPWVKZHIBCLG-IEBWSBKVSA-N	2	0	315.461	2.323	40	0		DEABRP
CC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000079415830	185170923	/nfs/dbraw/zinc/17/09/23/185170923.db2.gz	UXTQGLGKLAISEH-ROUUACIJSA-N	2	0	317.477	2.483	40	0		DEABRP
COc1ccc2c(c1)C(CC[NH+](C)C)(CC[NH+](C)C)C(=O)CC2	ZINC000004802815	181153241	/nfs/dbraw/zinc/15/32/41/181153241.db2.gz	YLUAURNNEJLWPR-UHFFFAOYSA-N	2	0	318.461	2.352	40	0		DEABRP
c1cncc(C[N@@H+]2CCC3(C2)CC[NH+]([C@@H]2CCOC2)CC3)c1	ZINC000096157417	402062509	/nfs/dbraw/zinc/06/25/09/402062509.db2.gz	WFLOOSGCKIQGIM-QGZVFWFLSA-N	2	0	301.434	2.158	40	0		DEABRP
COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](C1CCCC1)CC2	ZINC000247835693	402576778	/nfs/dbraw/zinc/57/67/78/402576778.db2.gz	JCJZRVVYGJCJQO-INIZCTEOSA-N	2	0	310.482	2.236	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1	ZINC000079415753	185170641	/nfs/dbraw/zinc/17/06/41/185170641.db2.gz	YONCFBHZNODWJW-ROUUACIJSA-N	2	0	317.477	2.483	40	0		DEABRP
C[N@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCOC3)C[C@@H]21	ZINC000107197516	402227378	/nfs/dbraw/zinc/22/73/78/402227378.db2.gz	QSSNFRSHMCKRHT-YDZRNGNQSA-N	2	0	315.461	2.403	40	0		DEABRP
Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)s1	ZINC000096052284	402051778	/nfs/dbraw/zinc/05/17/78/402051778.db2.gz	NHHCRIJOALYMQZ-NVXWUHKLSA-N	2	0	324.490	2.368	40	0		DEABRP
CC[NH+](CC)CC[C@@H]1C[N@H+](CC2CCOCC2)Cc2cncn21	ZINC000248245271	402585175	/nfs/dbraw/zinc/58/51/75/402585175.db2.gz	JFZAOVWWWHICJB-QGZVFWFLSA-N	2	0	320.481	2.398	40	0		DEABRP
CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1	ZINC000257335590	203057157	/nfs/dbraw/zinc/05/71/57/203057157.db2.gz	YKXXENJNKSFGQZ-OAHLLOKOSA-N	2	0	316.449	2.232	40	0		DEABRP
CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]21	ZINC000096185567	402066342	/nfs/dbraw/zinc/06/63/42/402066342.db2.gz	RHNMGTCMOLVZLW-VYDXJSESSA-N	2	0	321.490	2.121	40	0		DEABRP
C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000249699611	225244929	/nfs/dbraw/zinc/24/49/29/225244929.db2.gz	WWKWDFDVFDZMQR-XIRDDKMYSA-N	2	0	315.461	2.426	40	0		DEABRP
CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1	ZINC000079415535	185170289	/nfs/dbraw/zinc/17/02/89/185170289.db2.gz	WTCGRYPKYZKMFN-DOTOQJQBSA-N	2	0	303.450	2.235	40	0		DEABRP
CCN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H](C)[NH3+]	ZINC000079404486	185169644	/nfs/dbraw/zinc/16/96/44/185169644.db2.gz	VEZJVAPSNZSHCI-HNNXBMFYSA-N	2	0	303.450	2.094	40	0		DEABRP
NC(=[NH2+])c1ccc(OCCCOc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000001665564	180886004	/nfs/dbraw/zinc/88/60/04/180886004.db2.gz	WTFXJFJYEJZMFO-UHFFFAOYSA-N	2	0	312.373	2.103	40	0	investigational	DEABRP
c1csc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3C[NH+]2CCOCC2)n1	ZINC000096090768	402057720	/nfs/dbraw/zinc/05/77/20/402057720.db2.gz	BWLJWQMGAKCHIV-ARFHVFGLSA-N	2	0	321.490	2.323	40	0		DEABRP
C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](CCF)CC2	ZINC000096220903	402072032	/nfs/dbraw/zinc/07/20/32/402072032.db2.gz	OOGXOBBQZDKLCG-MRXNPFEDSA-N	2	0	307.413	2.106	40	0		DEABRP
NC(=[NH2+])Nc1ccc(Sc2ccc(NC(N)=[NH2+])cc2)cc1	ZINC000001705420	401710035	/nfs/dbraw/zinc/71/00/35/401710035.db2.gz	LNPDUWGHPCQXJU-UHFFFAOYSA-N	2	0	300.391	2.449	40	0		DEABRP
CN1C(=O)N[C@]12[C@@H](C1(C[NH3+])CCCCC1)CCC[C@@]2(C)[NH+](C)C	ZINC000521825339	406367532	/nfs/dbraw/zinc/36/75/32/406367532.db2.gz	DZJZGMJZANDJJJ-QGPMSJSTSA-N	2	0	322.497	2.367	40	0		DEABRP
CC[N@H+](Cc1ccccc1)C1CCC(NC(=O)[C@H](C)[NH3+])CC1	ZINC000079415498	185170529	/nfs/dbraw/zinc/17/05/29/185170529.db2.gz	LWWLRYYGOOHGPF-OOHWJJMZSA-N	2	0	303.450	2.283	40	0		DEABRP
CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000079415827	185170880	/nfs/dbraw/zinc/17/08/80/185170880.db2.gz	UXTQGLGKLAISEH-MSOLQXFVSA-N	2	0	317.477	2.483	40	0		DEABRP
CN(C)C[C@@H](CC1=C(C[C@@H](CN(C)C)[NH+](C)C)CCC1)[NH+](C)C	ZINC000023478151	182361674	/nfs/dbraw/zinc/36/16/74/182361674.db2.gz	LAAYVNAGMUFKIX-KDURUIRLSA-N	2	0	324.557	2.231	40	0		DEABRP
COc1c2c(c([C@@](C)([NH3+])C(C)C)c3c1C[N@H+](C)CC3)OCO2	ZINC000242648386	257120264	/nfs/dbraw/zinc/12/02/64/257120264.db2.gz	QVZVSMNKZXNHGC-KRWDZBQOSA-N	2	0	306.406	2.242	40	0		DEABRP
c1cncc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)c1	ZINC000096047955	402050956	/nfs/dbraw/zinc/05/09/56/402050956.db2.gz	DXFOLTYPABODIY-QGZVFWFLSA-N	2	0	301.434	2.301	40	0		DEABRP
Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)s1	ZINC000107739486	402240117	/nfs/dbraw/zinc/24/01/17/402240117.db2.gz	NHHCRIJOALYMQZ-RDJZCZTQSA-N	2	0	324.490	2.368	40	0		DEABRP
[NH3+]CC(=O)N[C@@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000100337137	303367155	/nfs/dbraw/zinc/36/71/55/303367155.db2.gz	VHONRWKVLKYBPO-IAGOWNOFSA-N	2	0	301.434	2.037	40	0		DEABRP
CC(C)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)C[NH3+]	ZINC000079404275	185169116	/nfs/dbraw/zinc/16/91/16/185169116.db2.gz	RPNBHAUHIRUVMU-KRWDZBQOSA-N	2	0	303.450	2.094	40	0		DEABRP
C[C@H]([NH3+])C(=O)N(CC1CC[NH+](Cc2ccccc2)CC1)C1CC1	ZINC000079404590	185169591	/nfs/dbraw/zinc/16/95/91/185169591.db2.gz	QCSCPHLSQCRQRO-HNNXBMFYSA-N	2	0	315.461	2.237	40	0		DEABRP
C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCOC1)Cc1ccccc1O2	ZINC000072394177	401709858	/nfs/dbraw/zinc/70/98/58/401709858.db2.gz	FPLZYVCGCFPPLG-MRXNPFEDSA-N	2	0	316.445	2.382	40	0		DEABRP
C[NH+](C)CCO[C@H]1C[N@H+](Cc2ccsc2)[C@@H]2CCCO[C@@H]21	ZINC000096057449	402053663	/nfs/dbraw/zinc/05/36/63/402053663.db2.gz	CKTPBGSPCYDHEG-PMPSAXMXSA-N	2	0	310.463	2.058	40	0		DEABRP
CC(C)[NH+]1CCC2(CC1)c1ccccc1N(CC[NH+](C)C)C2=O	ZINC000096241386	402074113	/nfs/dbraw/zinc/07/41/13/402074113.db2.gz	XJXNMBQUTMHNPU-UHFFFAOYSA-N	2	0	315.461	2.337	40	0		DEABRP
C[N@H+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[NH+]([C@H]3CCOC3)C[C@@H]21	ZINC000107197522	402227451	/nfs/dbraw/zinc/22/74/51/402227451.db2.gz	QSSNFRSHMCKRHT-XWSJACJDSA-N	2	0	315.461	2.403	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000079404626	185169760	/nfs/dbraw/zinc/16/97/60/185169760.db2.gz	ZKMFFZAVIGRELK-SJORKVTESA-N	2	0	303.450	2.141	40	0		DEABRP
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C(C)C	ZINC000079415807	185170980	/nfs/dbraw/zinc/17/09/80/185170980.db2.gz	FRGJTDSUAZVNOE-ROUUACIJSA-N	2	0	317.477	2.483	40	0		DEABRP
C[NH+](C)CCNC(=O)C1CC[NH+](CCCc2ccccc2)CC1	ZINC000195519226	201399201	/nfs/dbraw/zinc/39/92/01/201399201.db2.gz	LKOSBPJQIXITJJ-UHFFFAOYSA-N	2	0	317.477	2.009	40	0		DEABRP
COc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013381829	401799212	/nfs/dbraw/zinc/79/92/12/401799212.db2.gz	YPTJQGIRFIIISJ-RLFYNMQTSA-N	2	0	306.450	2.266	40	0		DEABRP
COc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013381827	401799540	/nfs/dbraw/zinc/79/95/40/401799540.db2.gz	YPTJQGIRFIIISJ-HDMKZQKVSA-N	2	0	306.450	2.266	40	0		DEABRP
Cc1ccsc1CN1Cc2ccnn2C[C@@H](C[NH+](C)C)C1	ZINC000248130923	402583720	/nfs/dbraw/zinc/58/37/20/402583720.db2.gz	QHXSDZFUGKXIJR-AWEZNQCLSA-N	2	0	304.463	2.447	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1	ZINC000079415718	276019912	/nfs/dbraw/zinc/01/99/12/276019912.db2.gz	MMWQYVUUWKXYLN-IRXDYDNUSA-N	2	0	303.450	2.093	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1	ZINC000079415757	185170942	/nfs/dbraw/zinc/17/09/42/185170942.db2.gz	HKERXCLCSMZTLD-MSOLQXFVSA-N	2	0	317.477	2.340	40	0		DEABRP
CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079390971	185168013	/nfs/dbraw/zinc/16/80/13/185168013.db2.gz	POTLHPIZNHELMF-ROUUACIJSA-N	2	0	317.477	2.483	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079390950	185168054	/nfs/dbraw/zinc/16/80/54/185168054.db2.gz	BZTXXBHXYHGLPN-MSOLQXFVSA-N	2	0	317.477	2.340	40	0		DEABRP
C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O	ZINC000585286460	357344790	/nfs/dbraw/zinc/34/47/90/357344790.db2.gz	YKYGDLWDCGGRAF-GVDBMIGSSA-N	2	0	310.413	2.028	40	0		DEABRP
c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3C[NH+]3CCCC3)C2)ccn1	ZINC000096185261	402065570	/nfs/dbraw/zinc/06/55/70/402065570.db2.gz	BEPNOGKEKHIALK-KURKYZTESA-N	2	0	301.434	2.014	40	0		DEABRP
CC(C)[N@@H+]1CCOC[C@@]2(CC[C@@H](C[NH2+]Cc3cccs3)O2)C1	ZINC000306125174	529045993	/nfs/dbraw/zinc/04/59/93/529045993.db2.gz	CIIKADJYZREJIQ-DOTOQJQBSA-N	2	0	324.490	2.496	40	0		DEABRP
CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1	ZINC000079415531	185170357	/nfs/dbraw/zinc/17/03/57/185170357.db2.gz	WTCGRYPKYZKMFN-RDJZCZTQSA-N	2	0	303.450	2.235	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](Cc2ccccc2)C(C)C)C1	ZINC000079415884	185170717	/nfs/dbraw/zinc/17/07/17/185170717.db2.gz	VZXIAQORMWPDFR-MSOLQXFVSA-N	2	0	317.477	2.481	40	0		DEABRP
CC(C)N(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+]	ZINC000079404266	185169220	/nfs/dbraw/zinc/16/92/20/185169220.db2.gz	YNOIEABWRWTEAQ-KRWDZBQOSA-N	2	0	303.450	2.237	40	0		DEABRP
CN(C)C[C@H](CC1=C(C[C@@H](CN(C)C)[NH+](C)C)CCC1)[NH+](C)C	ZINC000019365235	182118979	/nfs/dbraw/zinc/11/89/79/182118979.db2.gz	LAAYVNAGMUFKIX-OALUTQOASA-N	2	0	324.557	2.231	40	0		DEABRP
C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@H+](Cc1ccccc1)C1CC1	ZINC000079415660	401872972	/nfs/dbraw/zinc/87/29/72/401872972.db2.gz	HDTPZJJEXQPPBQ-YJBOKZPZSA-N	2	0	315.461	2.379	40	0		DEABRP
COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3C[NH+](C)C)C2)cc1	ZINC000096056205	402052981	/nfs/dbraw/zinc/05/29/81/402052981.db2.gz	JYLHMDMDEUISAD-NXHRZFHOSA-N	2	0	304.434	2.094	40	0		DEABRP
C[NH+](C)CCO[C@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@@H]21	ZINC000096057447	402053727	/nfs/dbraw/zinc/05/37/27/402053727.db2.gz	LYIREKBECXNWIY-PMPSAXMXSA-N	2	0	310.463	2.058	40	0		DEABRP
C[C@@]1(CO)CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@@]1(C)CO	ZINC000253416882	402664443	/nfs/dbraw/zinc/66/44/43/402664443.db2.gz	HRGQDTNSUTYICD-VUOWKATKSA-N	2	0	310.482	2.016	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079394284	185168800	/nfs/dbraw/zinc/16/88/00/185168800.db2.gz	NMPUBZIIOZLDBX-SJORKVTESA-N	2	0	303.450	2.093	40	0		DEABRP
CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C)[NH3+])CC1	ZINC000079415493	285112385	/nfs/dbraw/zinc/11/23/85/285112385.db2.gz	BCLLBIAPZFZMHH-HNNXBMFYSA-N	2	0	303.450	2.094	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000079415765	185170919	/nfs/dbraw/zinc/17/09/19/185170919.db2.gz	RESVSODOKCKBHL-SFHVURJKSA-N	2	0	317.477	2.340	40	0		DEABRP
C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1	ZINC000585288795	357345072	/nfs/dbraw/zinc/34/50/72/357345072.db2.gz	JKHTXMHZSNAMJA-IPMKNSEASA-N	2	0	318.461	2.279	40	0		DEABRP
O=C(CCC[NH+]1CCCC1)N1CC[NH2+]C[C@@H]1c1ccccc1	ZINC000257305220	283775443	/nfs/dbraw/zinc/77/54/43/283775443.db2.gz	SOYHOENBYCFJJN-QGZVFWFLSA-N	2	0	301.434	2.036	40	0		DEABRP
CN1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@H+](Cc3ccoc3)CC[C@@H]21	ZINC000096185584	402066269	/nfs/dbraw/zinc/06/62/69/402066269.db2.gz	SRHLQCDANJRIRA-SQNIBIBYSA-N	2	0	303.450	2.270	40	0		DEABRP
CCCN1CCC[N@H+](C)CCN(C)CCC[NH+](CCC)CC1	ZINC000068604820	402202570	/nfs/dbraw/zinc/20/25/70/402202570.db2.gz	RUAPIXJSFRFXPV-UHFFFAOYSA-N	2	0	312.546	2.068	40	0		DEABRP
Cc1ccsc1CN1Cc2ccnn2C[C@H](C[NH+](C)C)C1	ZINC000248130930	402583163	/nfs/dbraw/zinc/58/31/63/402583163.db2.gz	QHXSDZFUGKXIJR-CQSZACIVSA-N	2	0	304.463	2.447	40	0		DEABRP
CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+]	ZINC000101667128	355710021	/nfs/dbraw/zinc/71/00/21/355710021.db2.gz	DEFNQEILKZXQAF-IAGOWNOFSA-N	2	0	303.450	2.283	40	0		DEABRP
C[NH+](C)CCC[N@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O	ZINC000585288689	357345102	/nfs/dbraw/zinc/34/51/02/357345102.db2.gz	HRWVMAURVTUMIN-RCCFBDPRSA-N	2	0	306.450	2.231	40	0		DEABRP
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1	ZINC000044910131	401950512	/nfs/dbraw/zinc/95/05/12/401950512.db2.gz	KWLJJZRZRVDNJF-HNNXBMFYSA-N	2	0	303.450	2.210	40	0		DEABRP
CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000079415823	185170676	/nfs/dbraw/zinc/17/06/76/185170676.db2.gz	QJEGCWHYPAAKGS-MSOLQXFVSA-N	2	0	317.477	2.340	40	0		DEABRP
CC(C)[N@H+](Cc1ccccc1)C1CCC(NC(=O)C[NH3+])CC1	ZINC000079394318	185168853	/nfs/dbraw/zinc/16/88/53/185168853.db2.gz	CZYZWFWZEROSQK-UHFFFAOYSA-N	2	0	303.450	2.283	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000079404622	185169505	/nfs/dbraw/zinc/16/95/05/185169505.db2.gz	ZKMFFZAVIGRELK-IRXDYDNUSA-N	2	0	303.450	2.141	40	0		DEABRP
C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2	ZINC000096158615	193556091	/nfs/dbraw/zinc/55/60/91/193556091.db2.gz	FYHFNZLCNOFMAO-OAHLLOKOSA-N	2	0	318.417	2.100	40	0		DEABRP
C[N@@H+]1CCc2nc(C3CC[NH+](Cc4cccnc4)CC3)ncc2C1	ZINC000019590722	182131906	/nfs/dbraw/zinc/13/19/06/182131906.db2.gz	FKKTZQCLYDXEAZ-UHFFFAOYSA-N	2	0	323.444	2.239	40	0		DEABRP
c1ccc(CN2CCC[C@@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2)nc1	ZINC000248084838	402582122	/nfs/dbraw/zinc/58/21/22/402582122.db2.gz	JZBYUBQNIKTYPJ-ZWKOTPCHSA-N	2	0	301.434	2.158	40	0		DEABRP
O=C(CCC[NH+]1CCCC1)N1CC[NH2+]C[C@H]1c1ccccc1	ZINC000257305219	402712269	/nfs/dbraw/zinc/71/22/69/402712269.db2.gz	SOYHOENBYCFJJN-KRWDZBQOSA-N	2	0	301.434	2.036	40	0		DEABRP
CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1	ZINC000242463395	528950128	/nfs/dbraw/zinc/95/01/28/528950128.db2.gz	CZYZWFWZEROSQK-QAQDUYKDSA-N	2	0	303.450	2.283	40	0		DEABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1cnn(C)c1)CC2	ZINC000096240298	402074298	/nfs/dbraw/zinc/07/42/98/402074298.db2.gz	GNAJOKKSPVGKFX-KRWDZBQOSA-N	2	0	320.481	2.131	40	0		DEABRP
CC(C)[NH+]1CCC(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CC1	ZINC000257266218	402710647	/nfs/dbraw/zinc/71/06/47/402710647.db2.gz	MCAFGJKRUVAMMJ-SFHVURJKSA-N	2	0	315.461	2.280	40	0		DEABRP
CC(C)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+]	ZINC000079404527	185169795	/nfs/dbraw/zinc/16/97/95/185169795.db2.gz	PYZNTYXCXWJKQO-FUHWJXTLSA-N	2	0	317.477	2.483	40	0		DEABRP
[NH3+]CC(=O)NC1CCC([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079391060	185168096	/nfs/dbraw/zinc/16/80/96/185168096.db2.gz	BRLOOPRCGLNTMT-UHFFFAOYSA-N	2	0	301.434	2.037	40	0		DEABRP
C[N@@H+]1CCC[C@@H](NC(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1	ZINC000257314103	203038176	/nfs/dbraw/zinc/03/81/76/203038176.db2.gz	UVHQRSLCSIVENV-MRXNPFEDSA-N	2	0	324.428	2.031	40	0		DEABRP
CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21	ZINC000107202954	402227775	/nfs/dbraw/zinc/22/77/75/402227775.db2.gz	NWDDCAWAMFPJNF-IKGGRYGDSA-N	2	0	321.490	2.121	40	0		DEABRP
COC[C@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1cccnc1OC)CC2	ZINC000096209118	402069708	/nfs/dbraw/zinc/06/97/08/402069708.db2.gz	VFWUDHGASHVOPO-MRXNPFEDSA-N	2	0	319.449	2.023	40	0		DEABRP
C[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079404582	185169728	/nfs/dbraw/zinc/16/97/28/185169728.db2.gz	MLCZKCATIVVTFZ-MAUKXSAKSA-N	2	0	315.461	2.379	40	0		DEABRP
Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C)CO3)C2)s1	ZINC000107738583	402240232	/nfs/dbraw/zinc/24/02/32/402240232.db2.gz	FOPSIGWHEHBWMQ-RDJZCZTQSA-N	2	0	324.490	2.226	40	0		DEABRP
Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](C[NH+](C)C)N3C)C2)oc1C	ZINC000247969905	402579115	/nfs/dbraw/zinc/57/91/15/402579115.db2.gz	HIUGVNRXALMYIH-RYRKJORJSA-N	2	0	305.466	2.353	40	0		DEABRP
COc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+](C)C)[C@H]3C2)cc1	ZINC000096056230	402053052	/nfs/dbraw/zinc/05/30/52/402053052.db2.gz	GKMGDWSOHBLDOI-RYQLBKOJSA-N	2	0	304.434	2.094	40	0		DEABRP
[NH3+]CC(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000100178257	402139952	/nfs/dbraw/zinc/13/99/52/402139952.db2.gz	BRLOOPRCGLNTMT-IYBDPMFKSA-N	2	0	301.434	2.037	40	0		DEABRP
CC(C)[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3cccs3)O2)C1	ZINC000306125175	529046227	/nfs/dbraw/zinc/04/62/27/529046227.db2.gz	CIIKADJYZREJIQ-NVXWUHKLSA-N	2	0	324.490	2.496	40	0		DEABRP
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1	ZINC000079415524	185170518	/nfs/dbraw/zinc/17/05/18/185170518.db2.gz	RUNLXNSEGOWYKS-RDJZCZTQSA-N	2	0	303.450	2.093	40	0		DEABRP
CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+]	ZINC000079393800	185168712	/nfs/dbraw/zinc/16/87/12/185168712.db2.gz	DEFNQEILKZXQAF-DLBZAZTESA-N	2	0	303.450	2.283	40	0		DEABRP
COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccoc1)CC2	ZINC000585104301	357333825	/nfs/dbraw/zinc/33/38/25/357333825.db2.gz	YLJGXTCIUMGNOP-KRWDZBQOSA-N	2	0	322.449	2.086	40	0		DEABRP
Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3C2)cc1	ZINC000096161735	402063855	/nfs/dbraw/zinc/06/38/55/402063855.db2.gz	VNNCZMXQRWTGPH-GBESFXJTSA-N	2	0	300.446	2.395	40	0		DEABRP
C[NH+]1CCC(NC(=O)c2ncccc2-c2cccc(C[NH3+])c2)CC1	ZINC000257228002	402705796	/nfs/dbraw/zinc/70/57/96/402705796.db2.gz	FRXZTTCUPSIIFD-UHFFFAOYSA-N	2	0	324.428	2.031	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000079394295	185168786	/nfs/dbraw/zinc/16/87/86/185168786.db2.gz	KFJWLVAONFBULE-KRWDZBQOSA-N	2	0	303.450	2.093	40	0		DEABRP
C[NH+](C)CCN1CCC2(CC[NH+](Cc3cccs3)CC2)C1=O	ZINC000096046782	402050125	/nfs/dbraw/zinc/05/01/25/402050125.db2.gz	OOXYASALSISHKW-UHFFFAOYSA-N	2	0	321.490	2.124	40	0		DEABRP
CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@H](C)[NH3+]	ZINC000079415481	276142408	/nfs/dbraw/zinc/14/24/08/276142408.db2.gz	PSCBSRNHNTXOPI-DOTOQJQBSA-N	2	0	303.450	2.237	40	0		DEABRP
CC(C)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+]	ZINC000079404505	185169786	/nfs/dbraw/zinc/16/97/86/185169786.db2.gz	LOKPEQNBDPEOIP-RDJZCZTQSA-N	2	0	303.450	2.093	40	0		DEABRP
CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+]	ZINC000079415501	185170534	/nfs/dbraw/zinc/17/05/34/185170534.db2.gz	TVSXZBNHJPRRAT-BHYGNILZSA-N	2	0	303.450	2.283	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](Cc2ccccc2)C(C)C)C1	ZINC000079415876	185170608	/nfs/dbraw/zinc/17/06/08/185170608.db2.gz	VZXIAQORMWPDFR-ROUUACIJSA-N	2	0	317.477	2.481	40	0		DEABRP
Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3C[NH+]2CCCC2)cn1	ZINC000096081880	402057575	/nfs/dbraw/zinc/05/75/75/402057575.db2.gz	VSJDEDXTDSDGMT-RCCFBDPRSA-N	2	0	302.466	2.364	40	0		DEABRP
C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](CCF)CC2	ZINC000096220906	402072160	/nfs/dbraw/zinc/07/21/60/402072160.db2.gz	OOGXOBBQZDKLCG-INIZCTEOSA-N	2	0	307.413	2.106	40	0		DEABRP
OC1(c2csc(CN3CCC3)n2)CC[NH+](C2CCC2)CC1	ZINC000225421551	402317090	/nfs/dbraw/zinc/31/70/90/402317090.db2.gz	NGIICKBMFHKVNY-UHFFFAOYSA-N	2	0	307.463	2.185	40	0	biogenic,in-vitro	DEABRP
COCC[N@@H+]1CC2(C[C@@H]1COC)CC[NH+](C1CCCC1)CC2	ZINC000096218985	277218967	/nfs/dbraw/zinc/21/89/67/277218967.db2.gz	HLEUJLXVVQNJIY-QGZVFWFLSA-N	2	0	310.482	2.378	40	0		DEABRP
CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079390967	185167922	/nfs/dbraw/zinc/16/79/22/185167922.db2.gz	POTLHPIZNHELMF-MSOLQXFVSA-N	2	0	317.477	2.483	40	0		DEABRP
Cc1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+](C)C)CC1	ZINC000039763854	257217447	/nfs/dbraw/zinc/21/74/47/257217447.db2.gz	QPEMPAKWXLKNGP-UHFFFAOYSA-N	2	0	317.477	2.275	40	0		DEABRP
Cc1cc(N2CC[NH+](CC3CC3)CC2)cc([C@H]2CCC[NH2+]2)n1	ZINC000019697995	401823167	/nfs/dbraw/zinc/82/31/67/401823167.db2.gz	IWVZEMCDOVUVBP-QGZVFWFLSA-N	2	0	300.450	2.347	40	0		DEABRP
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1	ZINC000044910129	401950560	/nfs/dbraw/zinc/95/05/60/401950560.db2.gz	KWLJJZRZRVDNJF-OAHLLOKOSA-N	2	0	303.450	2.210	40	0		DEABRP
c1ccc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)nc1	ZINC000096047952	402051156	/nfs/dbraw/zinc/05/11/56/402051156.db2.gz	JDFCCDXYCAWBCV-KRWDZBQOSA-N	2	0	301.434	2.301	40	0		DEABRP
COC[C@@H]1C[N@H+](CC(C)C)CC12CC[NH+](C1CCOCC1)CC2	ZINC000248218017	402585377	/nfs/dbraw/zinc/58/53/77/402585377.db2.gz	HBWBPFSPHCTVHE-KRWDZBQOSA-N	2	0	324.509	2.482	40	0		DEABRP
C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000333591660	403787394	/nfs/dbraw/zinc/78/73/94/403787394.db2.gz	PEJDPLPNHQCXEU-YALNPMBYSA-N	2	0	322.497	2.209	40	0		DEABRP
CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+]	ZINC000249696761	528830952	/nfs/dbraw/zinc/83/09/52/528830952.db2.gz	TVSXZBNHJPRRAT-USXIJHARSA-N	2	0	303.450	2.283	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000079404688	185169775	/nfs/dbraw/zinc/16/97/75/185169775.db2.gz	JJBBCQQKPUMVNM-ROUUACIJSA-N	2	0	317.477	2.481	40	0		DEABRP
C[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079415663	185170660	/nfs/dbraw/zinc/17/06/60/185170660.db2.gz	YHDKSWMEVRLDFW-RDJZCZTQSA-N	2	0	315.461	2.237	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000079394298	185168958	/nfs/dbraw/zinc/16/89/58/185168958.db2.gz	NGDOIPZWTZBHAN-MSOLQXFVSA-N	2	0	317.477	2.483	40	0		DEABRP
CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000079394296	185169026	/nfs/dbraw/zinc/16/90/26/185169026.db2.gz	NGDOIPZWTZBHAN-ROUUACIJSA-N	2	0	317.477	2.483	40	0		DEABRP
OC1(c2csc(CN3CCC3)n2)CC[NH+](CC2CC2)CC1	ZINC000225421946	402317098	/nfs/dbraw/zinc/31/70/98/402317098.db2.gz	IXJBNQKZMGKXFX-UHFFFAOYSA-N	2	0	307.463	2.042	40	0	biogenic,in-vitro	DEABRP
CC(C)C[NH+]1CCC(O)(c2csc(CN3CCC3)n2)CC1	ZINC000225421764	402317450	/nfs/dbraw/zinc/31/74/50/402317450.db2.gz	NWRRHLSFEVSXQF-UHFFFAOYSA-N	2	0	309.479	2.288	40	0	biogenic,in-vitro	DEABRP
CC[NH+](CC)CC[C@H]1C[N@H+](CC2CCOCC2)Cc2cncn21	ZINC000248245269	402585397	/nfs/dbraw/zinc/58/53/97/402585397.db2.gz	JFZAOVWWWHICJB-KRWDZBQOSA-N	2	0	320.481	2.398	40	0		DEABRP
CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+]	ZINC000079404471	276351059	/nfs/dbraw/zinc/35/10/59/276351059.db2.gz	GICXNEJWZRLKES-RDJZCZTQSA-N	2	0	303.450	2.237	40	0		DEABRP
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000079415816	185170594	/nfs/dbraw/zinc/17/05/94/185170594.db2.gz	QJEGCWHYPAAKGS-ROUUACIJSA-N	2	0	317.477	2.340	40	0		DEABRP
N[C@H](CC[NH2+]CCc1ccccc1)C[NH2+]CCc1ccccc1	ZINC000022877034	182339403	/nfs/dbraw/zinc/33/94/03/182339403.db2.gz	UKAYRRZPOZQDMD-HXUWFJFHSA-N	2	0	311.473	2.368	40	0		DEABRP
C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccsc3)C2)O1	ZINC000096052279	402051715	/nfs/dbraw/zinc/05/17/15/402051715.db2.gz	NOVMIMVTLUHJPV-HOTGVXAUSA-N	2	0	310.463	2.060	40	0		DEABRP
C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccc(F)cc3)C2)O1	ZINC000096052286	402051817	/nfs/dbraw/zinc/05/18/17/402051817.db2.gz	RQVPTTITIYOFHS-QZTJIDSGSA-N	2	0	322.424	2.137	40	0		DEABRP
C(C[NH+]1CCCC1)O[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC1)C2	ZINC000096207657	402069818	/nfs/dbraw/zinc/06/98/18/402069818.db2.gz	WJPOZQOSSXQBOD-MSOLQXFVSA-N	2	0	308.466	2.275	40	0		DEABRP
[NH3+]CC(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000247703675	225234548	/nfs/dbraw/zinc/23/45/48/225234548.db2.gz	BRLOOPRCGLNTMT-WKILWMFISA-N	2	0	301.434	2.037	40	0		DEABRP
C[NH+](C)CCOC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1	ZINC000096064765	402055470	/nfs/dbraw/zinc/05/54/70/402055470.db2.gz	VOKNWVZBSJUXOH-IKGGRYGDSA-N	2	0	324.490	2.448	40	0		DEABRP
COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3C[NH+](C)C)cn1	ZINC000096249001	402073885	/nfs/dbraw/zinc/07/38/85/402073885.db2.gz	HUDYFSPPOJKXQG-GVDBMIGSSA-N	2	0	303.450	2.500	40	0		DEABRP
CC(C)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000172984105	402681957	/nfs/dbraw/zinc/68/19/57/402681957.db2.gz	VZRDCVSMWFWENL-UHFFFAOYSA-N	2	0	311.514	2.449	40	0		DEABRP
COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](C1CCCC1)CC2	ZINC000247835699	277227690	/nfs/dbraw/zinc/22/76/90/277227690.db2.gz	JCJZRVVYGJCJQO-MRXNPFEDSA-N	2	0	310.482	2.236	40	0		DEABRP
C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079415673	185170854	/nfs/dbraw/zinc/17/08/54/185170854.db2.gz	YHDKSWMEVRLDFW-DOTOQJQBSA-N	2	0	315.461	2.237	40	0		DEABRP
CC(C)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+]	ZINC000079404500	185169677	/nfs/dbraw/zinc/16/96/77/185169677.db2.gz	LOKPEQNBDPEOIP-DOTOQJQBSA-N	2	0	303.450	2.093	40	0		DEABRP
[NH3+]Cc1cccc(-c2cccnc2C(=O)NCC[NH+]2CCCC2)c1	ZINC000257336760	203057474	/nfs/dbraw/zinc/05/74/74/203057474.db2.gz	YPYAORNWBRCVMG-UHFFFAOYSA-N	2	0	324.428	2.033	40	0		DEABRP
C[NH+](C)CCN1C(=O)CCC12CC[NH+](Cc1cccs1)CC2	ZINC000096228040	402072550	/nfs/dbraw/zinc/07/25/50/402072550.db2.gz	JYVNYEOEWXYYPZ-UHFFFAOYSA-N	2	0	321.490	2.267	40	0		DEABRP
C[N@@H+]1CCC[C@@H]2N(C(=O)C[NH+]3CCCCCC3)CCC[C@@]21C	ZINC000257247841	277070724	/nfs/dbraw/zinc/07/07/24/277070724.db2.gz	JAUQMXYLONJXFB-WMZOPIPTSA-N	2	0	307.482	2.338	40	0		DEABRP
Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCC[NH+](C)C)[C@H]2O)c1	ZINC000585289358	357344899	/nfs/dbraw/zinc/34/48/99/357344899.db2.gz	QFAHEJXZGRVKAA-RCCFBDPRSA-N	2	0	306.450	2.197	40	0		DEABRP
CC(C)[N@@H+]1CCOC[C@]2(CC[C@H](C[NH2+]Cc3cccs3)O2)C1	ZINC000306125177	529045817	/nfs/dbraw/zinc/04/58/17/529045817.db2.gz	CIIKADJYZREJIQ-WBVHZDCISA-N	2	0	324.490	2.496	40	0		DEABRP
C[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccc(F)cc3)C2)O1	ZINC000096052288	282135932	/nfs/dbraw/zinc/13/59/32/282135932.db2.gz	RQVPTTITIYOFHS-MSOLQXFVSA-N	2	0	322.424	2.137	40	0		DEABRP
CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H]([NH3+])C(C)C	ZINC000079415811	185170781	/nfs/dbraw/zinc/17/07/81/185170781.db2.gz	FRGJTDSUAZVNOE-MSOLQXFVSA-N	2	0	317.477	2.483	40	0		DEABRP
c1cnc2[nH]c(C3CC[NH2+]CC3)c(C[N@@H+]3CCCOCC3)c2c1	ZINC000072394699	191149615	/nfs/dbraw/zinc/14/96/15/191149615.db2.gz	VPNDNEMVUUAHGJ-UHFFFAOYSA-N	2	0	314.433	2.252	40	0		DEABRP
C[NH2+]CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000202703904	563689410	/nfs/dbraw/zinc/68/94/10/563689410.db2.gz	ZUOCVIUMOFFLTL-UHFFFAOYSA-N	2	0	323.440	2.140	40	0		DEABRP
COc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004785351	181152117	/nfs/dbraw/zinc/15/21/17/181152117.db2.gz	YPTJQGIRFIIISJ-RVKKMQEKSA-N	2	0	306.450	2.266	40	0		DEABRP
C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](C1CCOCC1)CC2	ZINC000585104268	357333673	/nfs/dbraw/zinc/33/36/73/357333673.db2.gz	XMJNOBAXNWBCOL-QGZVFWFLSA-N	2	0	322.493	2.236	40	0		DEABRP
C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3cccs3)C2)O1	ZINC000096052273	402051702	/nfs/dbraw/zinc/05/17/02/402051702.db2.gz	YUIPJUFKZGTYBD-GOEBONIOSA-N	2	0	310.463	2.060	40	0		DEABRP
Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCCC2)O3)cn1	ZINC000096218792	402071550	/nfs/dbraw/zinc/07/15/50/402071550.db2.gz	KRVQBIHGVQQVDV-ZWKOTPCHSA-N	2	0	318.465	2.030	40	0		DEABRP
Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)c2cc(F)ccc2[nH+]1	ZINC000274993344	274707566	/nfs/dbraw/zinc/70/75/66/274707566.db2.gz	DZOZZZDKNWNMGJ-ZDUSSCGKSA-N	2	0	303.381	2.185	40	0		DEABRP
COC[C@@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH+](C)CC2	ZINC000585103814	357333686	/nfs/dbraw/zinc/33/36/86/357333686.db2.gz	RSLKQRQNWWOVJB-AWEZNQCLSA-N	2	0	309.479	2.242	40	0		DEABRP
CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1	ZINC000257335589	203057359	/nfs/dbraw/zinc/05/73/59/203057359.db2.gz	YKXXENJNKSFGQZ-HNNXBMFYSA-N	2	0	316.449	2.232	40	0		DEABRP
C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3cccs3)C2)O1	ZINC000096052275	402051442	/nfs/dbraw/zinc/05/14/42/402051442.db2.gz	YUIPJUFKZGTYBD-HOCLYGCPSA-N	2	0	310.463	2.060	40	0		DEABRP
[NH3+]CC(=O)N[C@@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000100337132	402140778	/nfs/dbraw/zinc/14/07/78/402140778.db2.gz	VHONRWKVLKYBPO-SJORKVTESA-N	2	0	301.434	2.037	40	0		DEABRP
N[C@@H](CC[NH2+]CCc1ccccc1)C[NH2+]CCc1ccccc1	ZINC000019366538	182118307	/nfs/dbraw/zinc/11/83/07/182118307.db2.gz	UKAYRRZPOZQDMD-FQEVSTJZSA-N	2	0	311.473	2.368	40	0		DEABRP
Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C)CO3)C2)s1	ZINC000096051935	402052089	/nfs/dbraw/zinc/05/20/89/402052089.db2.gz	FOPSIGWHEHBWMQ-WBVHZDCISA-N	2	0	324.490	2.226	40	0		DEABRP
COCC[NH+]1CCC2(CC1)C[N@H+](CC1CC1)Cc1cccnc12	ZINC000306134634	403950953	/nfs/dbraw/zinc/95/09/53/403950953.db2.gz	NTWCQEPXCWUYRJ-UHFFFAOYSA-N	2	0	315.461	2.287	40	0		DEABRP