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)N)CC1	ZINC000079415539	185170218	/nfs/dbraw/zinc/17/02/18/185170218.db2.gz	SFDGTXQVHADLOM-HNNXBMFYSA-N	1	3	303.450	2.235	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C1CCN(C(=O)[C@H](C)N)CC1	ZINC000079415539	185170219	/nfs/dbraw/zinc/17/02/19/185170219.db2.gz	SFDGTXQVHADLOM-HNNXBMFYSA-N	1	3	303.450	2.235	40	0		DEABHO
CCN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H](N)C(C)C	ZINC000079390963	185168190	/nfs/dbraw/zinc/16/81/90/185168190.db2.gz	TYJQFPFOIKILQL-MSOLQXFVSA-N	1	3	317.477	2.483	40	0		DEABHO
CCN(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@@H](N)C(C)C	ZINC000079390963	185168191	/nfs/dbraw/zinc/16/81/91/185168191.db2.gz	TYJQFPFOIKILQL-MSOLQXFVSA-N	1	3	317.477	2.483	40	0		DEABHO
COC[C@H]1C[N@H+](C)CC12CCN(Cc1cccc(C)n1)CC2	ZINC000585103469	357334014	/nfs/dbraw/zinc/33/40/14/357334014.db2.gz	PEGPXURIHNHILS-MRXNPFEDSA-N	1	3	303.450	2.180	40	0		DEABHO
COC[C@H]1C[N@@H+](C)CC12CCN(Cc1cccc(C)n1)CC2	ZINC000585103469	357334020	/nfs/dbraw/zinc/33/40/20/357334020.db2.gz	PEGPXURIHNHILS-MRXNPFEDSA-N	1	3	303.450	2.180	40	0		DEABHO
COc1cc(CN2CCC(CC[NH3+])CC2)cc(OC)c1OC	ZINC000015423985	182001855	/nfs/dbraw/zinc/00/18/55/182001855.db2.gz	MPBXADOUKIAZMR-UHFFFAOYSA-N	1	3	308.422	2.273	40	0		DEABHO
Cc1ccc(CN2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)s1	ZINC000096052283	402051648	/nfs/dbraw/zinc/05/16/48/402051648.db2.gz	NHHCRIJOALYMQZ-WBVHZDCISA-N	1	3	324.490	2.368	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1	ZINC000100178269	402140002	/nfs/dbraw/zinc/14/00/02/402140002.db2.gz	CZYZWFWZEROSQK-CALCHBBNSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1	ZINC000100178269	402140004	/nfs/dbraw/zinc/14/00/04/402140004.db2.gz	CZYZWFWZEROSQK-CALCHBBNSA-N	1	3	303.450	2.283	40	0		DEABHO
CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1	ZINC000242548854	528831455	/nfs/dbraw/zinc/83/14/55/528831455.db2.gz	LWWLRYYGOOHGPF-XIRDDKMYSA-N	1	3	303.450	2.283	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1	ZINC000242548854	528831462	/nfs/dbraw/zinc/83/14/62/528831462.db2.gz	LWWLRYYGOOHGPF-XIRDDKMYSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)N	ZINC000079404496	185169458	/nfs/dbraw/zinc/16/94/58/185169458.db2.gz	KIXPNYBZEYDUPB-DOTOQJQBSA-N	1	3	303.450	2.235	40	0		DEABHO
CC(C)N(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)N	ZINC000079404496	185169459	/nfs/dbraw/zinc/16/94/59/185169459.db2.gz	KIXPNYBZEYDUPB-DOTOQJQBSA-N	1	3	303.450	2.235	40	0		DEABHO
COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](N4CCCC4)[C@@H]3C2)cc1	ZINC000247915008	402578062	/nfs/dbraw/zinc/57/80/62/402578062.db2.gz	VRKDJJYFEHEEDW-BHIYHBOVSA-N	1	3	316.445	2.238	40	0		DEABHO
COc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](N4CCCC4)[C@@H]3C2)cc1	ZINC000247915008	402578064	/nfs/dbraw/zinc/57/80/64/402578064.db2.gz	VRKDJJYFEHEEDW-BHIYHBOVSA-N	1	3	316.445	2.238	40	0		DEABHO
C[C@H](N)C(=O)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000079404589	185169542	/nfs/dbraw/zinc/16/95/42/185169542.db2.gz	YFZYTIWAWVVOQN-RDJZCZTQSA-N	1	3	315.461	2.237	40	0		DEABHO
C[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1	ZINC000079404589	185169543	/nfs/dbraw/zinc/16/95/43/185169543.db2.gz	YFZYTIWAWVVOQN-RDJZCZTQSA-N	1	3	315.461	2.237	40	0		DEABHO
CN1CCC2(CC1)C[N@H+](C[C@@H]1CCOC1)Cc1ccccc1O2	ZINC000072394176	401710043	/nfs/dbraw/zinc/71/00/43/401710043.db2.gz	FPLZYVCGCFPPLG-INIZCTEOSA-N	1	3	316.445	2.382	40	0		DEABHO
CN1CCC2(CC1)C[N@@H+](C[C@@H]1CCOC1)Cc1ccccc1O2	ZINC000072394176	401710046	/nfs/dbraw/zinc/71/00/46/401710046.db2.gz	FPLZYVCGCFPPLG-INIZCTEOSA-N	1	3	316.445	2.382	40	0		DEABHO
COC[C@@H]1CC2(C[N@@H+]1C)CCN(Cc1scnc1C)CC2	ZINC000096207701	402069487	/nfs/dbraw/zinc/06/94/87/402069487.db2.gz	MXNGEHPSBUSTCQ-AWEZNQCLSA-N	1	3	309.479	2.384	40	0		DEABHO
COC[C@@H]1CC2(C[N@H+]1C)CCN(Cc1scnc1C)CC2	ZINC000096207701	402069489	/nfs/dbraw/zinc/06/94/89/402069489.db2.gz	MXNGEHPSBUSTCQ-AWEZNQCLSA-N	1	3	309.479	2.384	40	0		DEABHO
COC[C@H]1CC2(C[N@@H+]1C)CCN(Cc1scnc1C)CC2	ZINC000096207700	402069811	/nfs/dbraw/zinc/06/98/11/402069811.db2.gz	MXNGEHPSBUSTCQ-CQSZACIVSA-N	1	3	309.479	2.384	40	0		DEABHO
COC[C@H]1CC2(C[N@H+]1C)CCN(Cc1scnc1C)CC2	ZINC000096207700	402069812	/nfs/dbraw/zinc/06/98/12/402069812.db2.gz	MXNGEHPSBUSTCQ-CQSZACIVSA-N	1	3	309.479	2.384	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1	ZINC000079415761	185170938	/nfs/dbraw/zinc/17/09/38/185170938.db2.gz	HKERXCLCSMZTLD-ROUUACIJSA-N	1	3	317.477	2.340	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1	ZINC000079415761	185170939	/nfs/dbraw/zinc/17/09/39/185170939.db2.gz	HKERXCLCSMZTLD-ROUUACIJSA-N	1	3	317.477	2.340	40	0		DEABHO
CN(C)CCN(C)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1	ZINC000072394682	191149507	/nfs/dbraw/zinc/14/95/07/191149507.db2.gz	QKPNLIFNAKAXGC-UHFFFAOYSA-N	1	3	315.465	2.023	40	0		DEABHO
COc1ccc(CN2CCC3(C[C@H]([NH+](C)C)CO3)CC2)cc1	ZINC000096047923	402051335	/nfs/dbraw/zinc/05/13/35/402051335.db2.gz	IPDQESYUCSUNQZ-INIZCTEOSA-N	1	3	304.434	2.380	40	0		DEABHO
c1ccc(CN2CCC3(CC[N@@H+]([C@@H]4CCOC4)C3)CC2)nc1	ZINC000096157568	402063364	/nfs/dbraw/zinc/06/33/64/402063364.db2.gz	BLTGDXNEUWMVHW-QGZVFWFLSA-N	1	3	301.434	2.158	40	0		DEABHO
c1ccc(CN2CCC3(CC[N@H+]([C@@H]4CCOC4)C3)CC2)nc1	ZINC000096157568	402063365	/nfs/dbraw/zinc/06/33/65/402063365.db2.gz	BLTGDXNEUWMVHW-QGZVFWFLSA-N	1	3	301.434	2.158	40	0		DEABHO
NCC(=O)N[C@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415324	185170465	/nfs/dbraw/zinc/17/04/65/185170465.db2.gz	VHONRWKVLKYBPO-IRXDYDNUSA-N	1	3	301.434	2.037	40	0		DEABHO
NCC(=O)N[C@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000079415324	185170466	/nfs/dbraw/zinc/17/04/66/185170466.db2.gz	VHONRWKVLKYBPO-IRXDYDNUSA-N	1	3	301.434	2.037	40	0		DEABHO
c1cc(C[N@H+]2C[C@H]3CCN(C[C@@H]4CCCO4)C[C@H]3C2)ccn1	ZINC000096081434	402057767	/nfs/dbraw/zinc/05/77/67/402057767.db2.gz	ZKXRGQZQRGZTND-SQNIBIBYSA-N	1	3	301.434	2.014	40	0		DEABHO
c1cc(C[N@@H+]2C[C@H]3CCN(C[C@@H]4CCCO4)C[C@H]3C2)ccn1	ZINC000096081434	402057769	/nfs/dbraw/zinc/05/77/69/402057769.db2.gz	ZKXRGQZQRGZTND-SQNIBIBYSA-N	1	3	301.434	2.014	40	0		DEABHO
c1ccc(CN2CCC3(CC[N@@H+]([C@H]4CCOC4)C3)CC2)nc1	ZINC000096157569	402063392	/nfs/dbraw/zinc/06/33/92/402063392.db2.gz	BLTGDXNEUWMVHW-KRWDZBQOSA-N	1	3	301.434	2.158	40	0		DEABHO
c1ccc(CN2CCC3(CC[N@H+]([C@H]4CCOC4)C3)CC2)nc1	ZINC000096157569	402063393	/nfs/dbraw/zinc/06/33/93/402063393.db2.gz	BLTGDXNEUWMVHW-KRWDZBQOSA-N	1	3	301.434	2.158	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415484	279239704	/nfs/dbraw/zinc/23/97/04/279239704.db2.gz	BVQBINCPPIXRPX-RDJZCZTQSA-N	1	3	303.450	2.094	40	0		DEABHO
CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415484	279239707	/nfs/dbraw/zinc/23/97/07/279239707.db2.gz	BVQBINCPPIXRPX-RDJZCZTQSA-N	1	3	303.450	2.094	40	0		DEABHO
NCC(=O)N[C@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415321	303367147	/nfs/dbraw/zinc/36/71/47/303367147.db2.gz	VHONRWKVLKYBPO-DLBZAZTESA-N	1	3	301.434	2.037	40	0		DEABHO
NCC(=O)N[C@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000079415321	303367150	/nfs/dbraw/zinc/36/71/50/303367150.db2.gz	VHONRWKVLKYBPO-DLBZAZTESA-N	1	3	301.434	2.037	40	0		DEABHO
Cc1cc(N2CCN(CC3CC3)CC2)cc([C@@H]2CCC[NH2+]2)n1	ZINC000019697994	401822991	/nfs/dbraw/zinc/82/29/91/401822991.db2.gz	IWVZEMCDOVUVBP-KRWDZBQOSA-N	1	3	300.450	2.347	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)CN	ZINC000079424368	401873297	/nfs/dbraw/zinc/87/32/97/401873297.db2.gz	SLSLEVBACFIQHJ-QGZVFWFLSA-N	1	3	303.450	2.237	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)CN	ZINC000079424368	401873298	/nfs/dbraw/zinc/87/32/98/401873298.db2.gz	SLSLEVBACFIQHJ-QGZVFWFLSA-N	1	3	303.450	2.237	40	0		DEABHO
COC[C@H]1C[N@H+](CC(C)C)CC12CCN(C1CCOCC1)CC2	ZINC000248218019	402585322	/nfs/dbraw/zinc/58/53/22/402585322.db2.gz	HBWBPFSPHCTVHE-QGZVFWFLSA-N	1	3	324.509	2.482	40	0		DEABHO
COC[C@H]1C[N@@H+](CC(C)C)CC12CCN(C1CCOCC1)CC2	ZINC000248218019	402585324	/nfs/dbraw/zinc/58/53/24/402585324.db2.gz	HBWBPFSPHCTVHE-QGZVFWFLSA-N	1	3	324.509	2.482	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1	ZINC000079428781	185171236	/nfs/dbraw/zinc/17/12/36/185171236.db2.gz	ZVJSZWLJMWYCSU-KRWDZBQOSA-N	1	3	303.450	2.094	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1	ZINC000079428781	185171237	/nfs/dbraw/zinc/17/12/37/185171237.db2.gz	ZVJSZWLJMWYCSU-KRWDZBQOSA-N	1	3	303.450	2.094	40	0		DEABHO
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000079404684	185169560	/nfs/dbraw/zinc/16/95/60/185169560.db2.gz	JJBBCQQKPUMVNM-MSOLQXFVSA-N	1	3	317.477	2.481	40	0		DEABHO
CCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](CN(C)C)N2c2nccs2)C1	ZINC000096185582	402065809	/nfs/dbraw/zinc/06/58/09/402065809.db2.gz	ZXYXDPSFCBJEQV-ILXRZTDVSA-N	1	3	308.495	2.384	40	0		DEABHO
CCC[N@H+]1CC[C@H]2[C@H](C[C@@H](CN(C)C)N2c2nccs2)C1	ZINC000096185582	402065812	/nfs/dbraw/zinc/06/58/12/402065812.db2.gz	ZXYXDPSFCBJEQV-ILXRZTDVSA-N	1	3	308.495	2.384	40	0		DEABHO
c1cnc2[nH]c([C@@H]3CCC[NH2+]C3)c(CN3CCCOCC3)c2c1	ZINC000072394711	191149024	/nfs/dbraw/zinc/14/90/24/191149024.db2.gz	OKGWSCQWALAILB-CQSZACIVSA-N	1	3	314.433	2.252	40	0		DEABHO
C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000079415693	401873186	/nfs/dbraw/zinc/87/31/86/401873186.db2.gz	UMGDQPUHAYHDGC-BMGDILEWSA-N	1	3	315.461	2.426	40	0		DEABHO
C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415693	401873184	/nfs/dbraw/zinc/87/31/84/401873184.db2.gz	UMGDQPUHAYHDGC-BMGDILEWSA-N	1	3	315.461	2.426	40	0		DEABHO
Cc1ccc(CN2CCOC[C@@]3(C[C@@H](C[NH+](C)C)CO3)C2)s1	ZINC000107738579	402239669	/nfs/dbraw/zinc/23/96/69/402239669.db2.gz	FOPSIGWHEHBWMQ-DOTOQJQBSA-N	1	3	324.490	2.226	40	0		DEABHO
CC(C)N1CCOC[C@]2(CC[C@@H](C[NH2+]Cc3cccs3)O2)C1	ZINC000306125176	529045974	/nfs/dbraw/zinc/04/59/74/529045974.db2.gz	CIIKADJYZREJIQ-RDJZCZTQSA-N	1	3	324.490	2.496	40	0		DEABHO
CC(C)[C@H](N)C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1	ZINC000079390952	185168213	/nfs/dbraw/zinc/16/82/13/185168213.db2.gz	QEQQXPRIGNCKOS-SFHVURJKSA-N	1	3	317.477	2.340	40	0		DEABHO
CCN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H](N)C(C)C	ZINC000079390960	185168248	/nfs/dbraw/zinc/16/82/48/185168248.db2.gz	TYJQFPFOIKILQL-ROUUACIJSA-N	1	3	317.477	2.483	40	0		DEABHO
CCN(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@@H](N)C(C)C	ZINC000079390960	185168249	/nfs/dbraw/zinc/16/82/49/185168249.db2.gz	TYJQFPFOIKILQL-ROUUACIJSA-N	1	3	317.477	2.483	40	0		DEABHO
COc1ccccc1CN1CC[C@]2(C1)C[C@H]([NH+](C)C)CCO2	ZINC000096207942	402069462	/nfs/dbraw/zinc/06/94/62/402069462.db2.gz	UTOFNHYDBQAOJS-SJLPKXTDSA-N	1	3	304.434	2.380	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1	ZINC000079415733	185170968	/nfs/dbraw/zinc/17/09/68/185170968.db2.gz	NOLKJRMZGDVJCJ-IRXDYDNUSA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000079415733	185170969	/nfs/dbraw/zinc/17/09/69/185170969.db2.gz	NOLKJRMZGDVJCJ-IRXDYDNUSA-N	1	3	303.450	2.093	40	0		DEABHO
C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C1CCOCC1)CC2	ZINC000585104266	357334529	/nfs/dbraw/zinc/33/45/29/357334529.db2.gz	XMJNOBAXNWBCOL-KRWDZBQOSA-N	1	3	322.493	2.236	40	0		DEABHO
C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C1CCOCC1)CC2	ZINC000585104266	357334531	/nfs/dbraw/zinc/33/45/31/357334531.db2.gz	XMJNOBAXNWBCOL-KRWDZBQOSA-N	1	3	322.493	2.236	40	0		DEABHO
Cc1ccc(CN2CCOC[C@@]3(C[C@H](C[NH+](C)C)CO3)C2)s1	ZINC000096051936	402051953	/nfs/dbraw/zinc/05/19/53/402051953.db2.gz	FOPSIGWHEHBWMQ-NVXWUHKLSA-N	1	3	324.490	2.226	40	0		DEABHO
CC[C@@H](N)C(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21	ZINC000096156951	280163943	/nfs/dbraw/zinc/16/39/43/280163943.db2.gz	WXZOIWYXSVCGRS-CYBMUJFWSA-N	1	3	307.825	2.045	40	0		DEABHO
CC[N@H+](Cc1ccccc1)C1CCN(C(=O)[C@@H](N)C(C)C)CC1	ZINC000079415834	185170878	/nfs/dbraw/zinc/17/08/78/185170878.db2.gz	SMNQMGFPLSTUTL-SFHVURJKSA-N	1	3	317.477	2.483	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)C1CCN(C(=O)[C@@H](N)C(C)C)CC1	ZINC000079415834	185170879	/nfs/dbraw/zinc/17/08/79/185170879.db2.gz	SMNQMGFPLSTUTL-SFHVURJKSA-N	1	3	317.477	2.483	40	0		DEABHO
Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](C[NH+](C)C)O3)C2)s1	ZINC000107739489	402240167	/nfs/dbraw/zinc/24/01/67/402240167.db2.gz	NHHCRIJOALYMQZ-DOTOQJQBSA-N	1	3	324.490	2.368	40	0		DEABHO
CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079394299	185168750	/nfs/dbraw/zinc/16/87/50/185168750.db2.gz	BZTXXBHXYHGLPN-ROUUACIJSA-N	1	3	317.477	2.340	40	0		DEABHO
CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000079394299	185168751	/nfs/dbraw/zinc/16/87/51/185168751.db2.gz	BZTXXBHXYHGLPN-ROUUACIJSA-N	1	3	317.477	2.340	40	0		DEABHO
COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(Cc1ccoc1)CC2	ZINC000585104306	357334073	/nfs/dbraw/zinc/33/40/73/357334073.db2.gz	YLJGXTCIUMGNOP-QGZVFWFLSA-N	1	3	322.449	2.086	40	0		DEABHO
COCC[N@H+]1C[C@H](COC)C2(C1)CCN(Cc1ccoc1)CC2	ZINC000585104306	357334078	/nfs/dbraw/zinc/33/40/78/357334078.db2.gz	YLJGXTCIUMGNOP-QGZVFWFLSA-N	1	3	322.449	2.086	40	0		DEABHO
COc1ccc(CN2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)cc1	ZINC000096047922	402051059	/nfs/dbraw/zinc/05/10/59/402051059.db2.gz	IPDQESYUCSUNQZ-MRXNPFEDSA-N	1	3	304.434	2.380	40	0		DEABHO
COCC[NH+]1CCC2(CCCN(Cc3ccccn3)C2)CC1	ZINC000096071789	402056259	/nfs/dbraw/zinc/05/62/59/402056259.db2.gz	OLMSGMUHZCDRAR-UHFFFAOYSA-N	1	3	303.450	2.406	40	0		DEABHO
COc1cccc(CN2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)c1	ZINC000096207289	402069419	/nfs/dbraw/zinc/06/94/19/402069419.db2.gz	TXHXKLQHLOZNAU-SJLPKXTDSA-N	1	3	304.434	2.380	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415489	185170233	/nfs/dbraw/zinc/17/02/33/185170233.db2.gz	BVQBINCPPIXRPX-DOTOQJQBSA-N	1	3	303.450	2.094	40	0		DEABHO
CC[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415489	185170234	/nfs/dbraw/zinc/17/02/34/185170234.db2.gz	BVQBINCPPIXRPX-DOTOQJQBSA-N	1	3	303.450	2.094	40	0		DEABHO
CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N	ZINC000079415505	185170354	/nfs/dbraw/zinc/17/03/54/185170354.db2.gz	TVSXZBNHJPRRAT-XIRDDKMYSA-N	1	3	303.450	2.283	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N	ZINC000079415505	185170355	/nfs/dbraw/zinc/17/03/55/185170355.db2.gz	TVSXZBNHJPRRAT-XIRDDKMYSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C)N)CC1	ZINC000079415573	185170510	/nfs/dbraw/zinc/17/05/10/185170510.db2.gz	AHDZBSHKBXYYIP-INIZCTEOSA-N	1	3	317.477	2.483	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C)N)CC1	ZINC000079415573	185170511	/nfs/dbraw/zinc/17/05/11/185170511.db2.gz	AHDZBSHKBXYYIP-INIZCTEOSA-N	1	3	317.477	2.483	40	0		DEABHO
CC[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415794	185170770	/nfs/dbraw/zinc/17/07/70/185170770.db2.gz	DXIGMKZFXBROMY-SJORKVTESA-N	1	3	303.450	2.093	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415794	185170771	/nfs/dbraw/zinc/17/07/71/185170771.db2.gz	DXIGMKZFXBROMY-SJORKVTESA-N	1	3	303.450	2.093	40	0		DEABHO
c1cncc(CN2CCC3(C2)CC[NH+]([C@H]2CCOC2)CC3)c1	ZINC000096157418	402063381	/nfs/dbraw/zinc/06/33/81/402063381.db2.gz	WFLOOSGCKIQGIM-KRWDZBQOSA-N	1	3	301.434	2.158	40	0		DEABHO
C[C@H](N)C(=O)NC1CCC([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079415682	185170977	/nfs/dbraw/zinc/17/09/77/185170977.db2.gz	WWKWDFDVFDZMQR-OOHWJJMZSA-N	1	3	315.461	2.426	40	0		DEABHO
C[C@H](N)C(=O)NC1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079415682	185170978	/nfs/dbraw/zinc/17/09/78/185170978.db2.gz	WWKWDFDVFDZMQR-OOHWJJMZSA-N	1	3	315.461	2.426	40	0		DEABHO
c1cnc2[nH]c([C@H]3CCC[NH2+]C3)c(CN3CCCOCC3)c2c1	ZINC000072394712	191149466	/nfs/dbraw/zinc/14/94/66/191149466.db2.gz	OKGWSCQWALAILB-AWEZNQCLSA-N	1	3	314.433	2.252	40	0		DEABHO
C[NH+](C)[C@@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC000096158616	193556245	/nfs/dbraw/zinc/55/62/45/193556245.db2.gz	FYHFNZLCNOFMAO-HNNXBMFYSA-N	1	3	318.417	2.100	40	0		DEABHO
c1cc(CSC2=[NH+]CCN2)ccc1CSC1=NCCN1	ZINC000001633984	401709215	/nfs/dbraw/zinc/70/92/15/401709215.db2.gz	QNBQBGUMEMAOPZ-UHFFFAOYSA-N	1	3	306.460	2.071	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CN	ZINC000079424367	401872854	/nfs/dbraw/zinc/87/28/54/401872854.db2.gz	SLSLEVBACFIQHJ-KRWDZBQOSA-N	1	3	303.450	2.237	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CN	ZINC000079424367	401872857	/nfs/dbraw/zinc/87/28/57/401872857.db2.gz	SLSLEVBACFIQHJ-KRWDZBQOSA-N	1	3	303.450	2.237	40	0		DEABHO
C[C@H](N)C(=O)N1CCC(C[N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079415679	185170896	/nfs/dbraw/zinc/17/08/96/185170896.db2.gz	YMIKLABWPWZWDE-HNNXBMFYSA-N	1	3	315.461	2.237	40	0		DEABHO
C[C@H](N)C(=O)N1CCC(C[N@@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079415679	185170897	/nfs/dbraw/zinc/17/08/97/185170897.db2.gz	YMIKLABWPWZWDE-HNNXBMFYSA-N	1	3	315.461	2.237	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1	ZINC000079415736	401872881	/nfs/dbraw/zinc/87/28/81/401872881.db2.gz	NOLKJRMZGDVJCJ-SJORKVTESA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1	ZINC000079415736	401872884	/nfs/dbraw/zinc/87/28/84/401872884.db2.gz	NOLKJRMZGDVJCJ-SJORKVTESA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404534	185169407	/nfs/dbraw/zinc/16/94/07/185169407.db2.gz	PYZNTYXCXWJKQO-WMZOPIPTSA-N	1	3	317.477	2.483	40	0		DEABHO
CC(C)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404534	185169408	/nfs/dbraw/zinc/16/94/08/185169408.db2.gz	PYZNTYXCXWJKQO-WMZOPIPTSA-N	1	3	317.477	2.483	40	0		DEABHO
CCc1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1	ZINC000172246277	198064520	/nfs/dbraw/zinc/06/45/20/198064520.db2.gz	BVOGRZRHIGWOFV-UHFFFAOYSA-N	1	3	317.477	2.139	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415550	401872963	/nfs/dbraw/zinc/87/29/63/401872963.db2.gz	LVXROEGSEFOWCH-FUHWJXTLSA-N	1	3	317.477	2.483	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415550	401872966	/nfs/dbraw/zinc/87/29/66/401872966.db2.gz	LVXROEGSEFOWCH-FUHWJXTLSA-N	1	3	317.477	2.483	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)CN	ZINC000079393803	185169044	/nfs/dbraw/zinc/16/90/44/185169044.db2.gz	DEFNQEILKZXQAF-IRXDYDNUSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)CN	ZINC000079393803	185169045	/nfs/dbraw/zinc/16/90/45/185169045.db2.gz	DEFNQEILKZXQAF-IRXDYDNUSA-N	1	3	303.450	2.283	40	0		DEABHO
COC[C@@H]1C[N@H+](C)CC12CCN(Cc1cccc(C)n1)CC2	ZINC000585103452	357334466	/nfs/dbraw/zinc/33/44/66/357334466.db2.gz	PEGPXURIHNHILS-INIZCTEOSA-N	1	3	303.450	2.180	40	0		DEABHO
COC[C@@H]1C[N@@H+](C)CC12CCN(Cc1cccc(C)n1)CC2	ZINC000585103452	357334468	/nfs/dbraw/zinc/33/44/68/357334468.db2.gz	PEGPXURIHNHILS-INIZCTEOSA-N	1	3	303.450	2.180	40	0		DEABHO
C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000100177575	402139929	/nfs/dbraw/zinc/13/99/29/402139929.db2.gz	WWKWDFDVFDZMQR-BHYGNILZSA-N	1	3	315.461	2.426	40	0		DEABHO
C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1	ZINC000100177575	402139932	/nfs/dbraw/zinc/13/99/32/402139932.db2.gz	WWKWDFDVFDZMQR-BHYGNILZSA-N	1	3	315.461	2.426	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415545	185170525	/nfs/dbraw/zinc/17/05/25/185170525.db2.gz	LVXROEGSEFOWCH-WMZOPIPTSA-N	1	3	317.477	2.483	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415545	185170526	/nfs/dbraw/zinc/17/05/26/185170526.db2.gz	LVXROEGSEFOWCH-WMZOPIPTSA-N	1	3	317.477	2.483	40	0		DEABHO
COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(Cc1ccco1)CC2	ZINC000247814743	402576230	/nfs/dbraw/zinc/57/62/30/402576230.db2.gz	APSFFDABSNAPNU-INIZCTEOSA-N	1	3	322.449	2.086	40	0		DEABHO
COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(Cc1ccco1)CC2	ZINC000247814743	402576232	/nfs/dbraw/zinc/57/62/32/402576232.db2.gz	APSFFDABSNAPNU-INIZCTEOSA-N	1	3	322.449	2.086	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1	ZINC000079428778	185171208	/nfs/dbraw/zinc/17/12/08/185171208.db2.gz	ZVJSZWLJMWYCSU-QGZVFWFLSA-N	1	3	303.450	2.094	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1	ZINC000079428778	185171209	/nfs/dbraw/zinc/17/12/09/185171209.db2.gz	ZVJSZWLJMWYCSU-QGZVFWFLSA-N	1	3	303.450	2.094	40	0		DEABHO
C[NH+](C)CCCN[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O	ZINC000585289980	357345083	/nfs/dbraw/zinc/34/50/83/357345083.db2.gz	PAXLINRCDDRZDL-GVDBMIGSSA-N	1	3	310.413	2.028	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CN)CC1	ZINC000079415315	401873353	/nfs/dbraw/zinc/87/33/53/401873353.db2.gz	LBELWACVZNKLSZ-UHFFFAOYSA-N	1	3	303.450	2.094	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)CC1CCN(C(=O)CN)CC1	ZINC000079415315	401873354	/nfs/dbraw/zinc/87/33/54/401873354.db2.gz	LBELWACVZNKLSZ-UHFFFAOYSA-N	1	3	303.450	2.094	40	0		DEABHO
COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CN(C)C)OC[C@@H]3C2)cc1	ZINC000096057583	402053721	/nfs/dbraw/zinc/05/37/21/402053721.db2.gz	JYLHMDMDEUISAD-SZMVWBNQSA-N	1	3	304.434	2.094	40	0		DEABHO
COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CN(C)C)OC[C@@H]3C2)cc1	ZINC000096057583	402053724	/nfs/dbraw/zinc/05/37/24/402053724.db2.gz	JYLHMDMDEUISAD-SZMVWBNQSA-N	1	3	304.434	2.094	40	0		DEABHO
CCN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404481	185169675	/nfs/dbraw/zinc/16/96/75/185169675.db2.gz	OQAPIUONOOXKQG-RDJZCZTQSA-N	1	3	303.450	2.094	40	0		DEABHO
CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404481	185169676	/nfs/dbraw/zinc/16/96/76/185169676.db2.gz	OQAPIUONOOXKQG-RDJZCZTQSA-N	1	3	303.450	2.094	40	0		DEABHO
COc1c2c(c([C@](C)([NH3+])C(C)C)c3c1CN(C)CC3)OCO2	ZINC000242648387	257119918	/nfs/dbraw/zinc/11/99/18/257119918.db2.gz	QVZVSMNKZXNHGC-QGZVFWFLSA-N	1	3	306.406	2.242	40	0		DEABHO
C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415689	401873209	/nfs/dbraw/zinc/87/32/09/401873209.db2.gz	UMGDQPUHAYHDGC-WBAXXEDZSA-N	1	3	315.461	2.426	40	0		DEABHO
C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000079415689	401873210	/nfs/dbraw/zinc/87/32/10/401873210.db2.gz	UMGDQPUHAYHDGC-WBAXXEDZSA-N	1	3	315.461	2.426	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@H](C)N	ZINC000079415477	279239738	/nfs/dbraw/zinc/23/97/38/279239738.db2.gz	PSCBSRNHNTXOPI-RDJZCZTQSA-N	1	3	303.450	2.237	40	0		DEABHO
CC[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@H](C)N	ZINC000079415477	279239740	/nfs/dbraw/zinc/23/97/40/279239740.db2.gz	PSCBSRNHNTXOPI-RDJZCZTQSA-N	1	3	303.450	2.237	40	0		DEABHO
C[C@H](N)C(=O)N(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079404580	185169641	/nfs/dbraw/zinc/16/96/41/185169641.db2.gz	MLCZKCATIVVTFZ-YJBOKZPZSA-N	1	3	315.461	2.379	40	0		DEABHO
C[C@H](N)C(=O)N(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1	ZINC000079404580	185169642	/nfs/dbraw/zinc/16/96/42/185169642.db2.gz	MLCZKCATIVVTFZ-YJBOKZPZSA-N	1	3	315.461	2.379	40	0		DEABHO
CCOC(=O)[C@@]12CN(C(C)C)C[C@@H]1C[N@H+](CC1CC1)CCC2	ZINC000096055919	402052651	/nfs/dbraw/zinc/05/26/51/402052651.db2.gz	WOUMJWAEUKKBLZ-WMZOPIPTSA-N	1	3	308.466	2.382	40	0		DEABHO
CCOC(=O)[C@@]12CN(C(C)C)C[C@@H]1C[N@@H+](CC1CC1)CCC2	ZINC000096055919	402052654	/nfs/dbraw/zinc/05/26/54/402052654.db2.gz	WOUMJWAEUKKBLZ-WMZOPIPTSA-N	1	3	308.466	2.382	40	0		DEABHO
C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccsc2)O1	ZINC000096186065	402065743	/nfs/dbraw/zinc/06/57/43/402065743.db2.gz	VOKNWVZBSJUXOH-ULQDDVLXSA-N	1	3	324.490	2.448	40	0		DEABHO
CC[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415801	185170889	/nfs/dbraw/zinc/17/08/89/185170889.db2.gz	DXIGMKZFXBROMY-IRXDYDNUSA-N	1	3	303.450	2.093	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415801	185170890	/nfs/dbraw/zinc/17/08/90/185170890.db2.gz	DXIGMKZFXBROMY-IRXDYDNUSA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)N(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H](C)N	ZINC000079404536	185169589	/nfs/dbraw/zinc/16/95/89/185169589.db2.gz	UIKRVADDRCJBOH-INIZCTEOSA-N	1	3	317.477	2.483	40	0		DEABHO
CC(C)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)N	ZINC000079404495	401873127	/nfs/dbraw/zinc/87/31/27/401873127.db2.gz	KIXPNYBZEYDUPB-RDJZCZTQSA-N	1	3	303.450	2.235	40	0		DEABHO
CC(C)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)N	ZINC000079404495	401873131	/nfs/dbraw/zinc/87/31/31/401873131.db2.gz	KIXPNYBZEYDUPB-RDJZCZTQSA-N	1	3	303.450	2.235	40	0		DEABHO
COc1ccc(CNCC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004785349	181151854	/nfs/dbraw/zinc/15/18/54/181151854.db2.gz	YPTJQGIRFIIISJ-IIDMSEBBSA-N	1	3	306.450	2.266	40	0		DEABHO
COc1ccc(CNCC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004785349	181151857	/nfs/dbraw/zinc/15/18/57/181151857.db2.gz	YPTJQGIRFIIISJ-IIDMSEBBSA-N	1	3	306.450	2.266	40	0		DEABHO
COc1ccc([C@H]2C[N@@H+](C3CCN(C)CC3)CCN2C)cc1	ZINC000257287150	203013184	/nfs/dbraw/zinc/01/31/84/203013184.db2.gz	POSXUUYXRCFIHE-GOSISDBHSA-N	1	3	303.450	2.078	40	0		DEABHO
COc1ccc([C@H]2C[N@H+](C3CCN(C)CC3)CCN2C)cc1	ZINC000257287150	203013186	/nfs/dbraw/zinc/01/31/86/203013186.db2.gz	POSXUUYXRCFIHE-GOSISDBHSA-N	1	3	303.450	2.078	40	0		DEABHO
COc1ccc(CN2CCOC[C@@H](CC[NH+](C)C)[C@@H]2C)cc1	ZINC000306125961	533563544	/nfs/dbraw/zinc/56/35/44/533563544.db2.gz	DHGGOCVWPNVOBS-DOTOQJQBSA-N	1	3	306.450	2.484	40	0		DEABHO
CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)N	ZINC000079404473	276138698	/nfs/dbraw/zinc/13/86/98/276138698.db2.gz	GICXNEJWZRLKES-DOTOQJQBSA-N	1	3	303.450	2.237	40	0		DEABHO
CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)N	ZINC000079404473	276138701	/nfs/dbraw/zinc/13/87/01/276138701.db2.gz	GICXNEJWZRLKES-DOTOQJQBSA-N	1	3	303.450	2.237	40	0		DEABHO
CC(C)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)CN	ZINC000079404271	185169244	/nfs/dbraw/zinc/16/92/44/185169244.db2.gz	RPNBHAUHIRUVMU-QGZVFWFLSA-N	1	3	303.450	2.094	40	0		DEABHO
CC(C)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)CN	ZINC000079404271	185169245	/nfs/dbraw/zinc/16/92/45/185169245.db2.gz	RPNBHAUHIRUVMU-QGZVFWFLSA-N	1	3	303.450	2.094	40	0		DEABHO
Cc1ccccc1O[C@@H]1CCC[C@H](NCCC[NH+](C)C)[C@H]1O	ZINC000585288458	357344771	/nfs/dbraw/zinc/34/47/71/357344771.db2.gz	AXLDRYNCALLUJB-CGTJXYLNSA-N	1	3	306.450	2.197	40	0		DEABHO
COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(Cc1ccco1)CC2	ZINC000247814746	402576424	/nfs/dbraw/zinc/57/64/24/402576424.db2.gz	APSFFDABSNAPNU-MRXNPFEDSA-N	1	3	322.449	2.086	40	0		DEABHO
COCC[N@H+]1C[C@H](COC)C2(C1)CCN(Cc1ccco1)CC2	ZINC000247814746	402576426	/nfs/dbraw/zinc/57/64/26/402576426.db2.gz	APSFFDABSNAPNU-MRXNPFEDSA-N	1	3	322.449	2.086	40	0		DEABHO
CC(C)N(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)CN	ZINC000079404276	185169140	/nfs/dbraw/zinc/16/91/40/185169140.db2.gz	UDVFIAFZCZEDOA-UHFFFAOYSA-N	1	3	303.450	2.094	40	0		DEABHO
Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)s1	ZINC000096056475	402053002	/nfs/dbraw/zinc/05/30/02/402053002.db2.gz	VMTKIQPRBKXOJL-HZPDHXFCSA-N	1	3	321.490	2.183	40	0		DEABHO
Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)s1	ZINC000096056475	402053005	/nfs/dbraw/zinc/05/30/05/402053005.db2.gz	VMTKIQPRBKXOJL-HZPDHXFCSA-N	1	3	321.490	2.183	40	0		DEABHO
CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N	ZINC000249696760	528831511	/nfs/dbraw/zinc/83/15/11/528831511.db2.gz	TVSXZBNHJPRRAT-UAGQMJEPSA-N	1	3	303.450	2.283	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N	ZINC000249696760	528831513	/nfs/dbraw/zinc/83/15/13/528831513.db2.gz	TVSXZBNHJPRRAT-UAGQMJEPSA-N	1	3	303.450	2.283	40	0		DEABHO
c1cncc(CN2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)c1	ZINC000096047954	402051086	/nfs/dbraw/zinc/05/10/86/402051086.db2.gz	DXFOLTYPABODIY-KRWDZBQOSA-N	1	3	301.434	2.301	40	0		DEABHO
Cc1ccc(CN2C[C@H](OCC[NH+](C)C)[C@H]3OCCC[C@H]32)s1	ZINC000096057452	402053178	/nfs/dbraw/zinc/05/31/78/402053178.db2.gz	AHHGRQIYKYUQRY-IKGGRYGDSA-N	1	3	324.490	2.367	40	0		DEABHO
CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1	ZINC000100177583	402140046	/nfs/dbraw/zinc/14/00/46/402140046.db2.gz	LWWLRYYGOOHGPF-BHYGNILZSA-N	1	3	303.450	2.283	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1	ZINC000100177583	402140049	/nfs/dbraw/zinc/14/00/49/402140049.db2.gz	LWWLRYYGOOHGPF-BHYGNILZSA-N	1	3	303.450	2.283	40	0		DEABHO
CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000079390955	185168241	/nfs/dbraw/zinc/16/82/41/185168241.db2.gz	MSNTYAIUUBUPOR-SJORKVTESA-N	1	3	303.450	2.093	40	0		DEABHO
CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404478	185169521	/nfs/dbraw/zinc/16/95/21/185169521.db2.gz	OQAPIUONOOXKQG-DOTOQJQBSA-N	1	3	303.450	2.094	40	0		DEABHO
CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404478	185169522	/nfs/dbraw/zinc/16/95/22/185169522.db2.gz	OQAPIUONOOXKQG-DOTOQJQBSA-N	1	3	303.450	2.094	40	0		DEABHO
C[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000079404585	185169533	/nfs/dbraw/zinc/16/95/33/185169533.db2.gz	YFZYTIWAWVVOQN-DOTOQJQBSA-N	1	3	315.461	2.237	40	0		DEABHO
C[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1	ZINC000079404585	185169534	/nfs/dbraw/zinc/16/95/34/185169534.db2.gz	YFZYTIWAWVVOQN-DOTOQJQBSA-N	1	3	315.461	2.237	40	0		DEABHO
COc1ccc([C@@H]2C[N@@H+](C3CCN(C)CC3)CCN2C)cc1	ZINC000257287151	203013997	/nfs/dbraw/zinc/01/39/97/203013997.db2.gz	POSXUUYXRCFIHE-SFHVURJKSA-N	1	3	303.450	2.078	40	0		DEABHO
COc1ccc([C@@H]2C[N@H+](C3CCN(C)CC3)CCN2C)cc1	ZINC000257287151	203014000	/nfs/dbraw/zinc/01/40/00/203014000.db2.gz	POSXUUYXRCFIHE-SFHVURJKSA-N	1	3	303.450	2.078	40	0		DEABHO
CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000079390957	185167941	/nfs/dbraw/zinc/16/79/41/185167941.db2.gz	MSNTYAIUUBUPOR-IRXDYDNUSA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000079404751	185169662	/nfs/dbraw/zinc/16/96/62/185169662.db2.gz	JLTDWUFLFLULCP-ROUUACIJSA-N	1	3	315.461	2.235	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)CN	ZINC000101667125	355709992	/nfs/dbraw/zinc/70/99/92/355709992.db2.gz	DEFNQEILKZXQAF-SJORKVTESA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)CN	ZINC000101667125	355709993	/nfs/dbraw/zinc/70/99/93/355709993.db2.gz	DEFNQEILKZXQAF-SJORKVTESA-N	1	3	303.450	2.283	40	0		DEABHO
CC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415830	185170925	/nfs/dbraw/zinc/17/09/25/185170925.db2.gz	UXTQGLGKLAISEH-ROUUACIJSA-N	1	3	317.477	2.483	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415830	185170926	/nfs/dbraw/zinc/17/09/26/185170926.db2.gz	UXTQGLGKLAISEH-ROUUACIJSA-N	1	3	317.477	2.483	40	0		DEABHO
COc1ccc2c(c1)C(CCN(C)C)(CC[NH+](C)C)C(=O)CC2	ZINC000004802815	181153242	/nfs/dbraw/zinc/15/32/42/181153242.db2.gz	YLUAURNNEJLWPR-UHFFFAOYSA-N	1	3	318.461	2.352	40	0		DEABHO
c1cncc(CN2CCC3(C2)CC[NH+]([C@@H]2CCOC2)CC3)c1	ZINC000096157417	402062514	/nfs/dbraw/zinc/06/25/14/402062514.db2.gz	WFLOOSGCKIQGIM-QGZVFWFLSA-N	1	3	301.434	2.158	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@H](C)N	ZINC000079415516	401873198	/nfs/dbraw/zinc/87/31/98/401873198.db2.gz	KDZYPFLVLBSRMC-DOTOQJQBSA-N	1	3	303.450	2.235	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@H](C)N	ZINC000079415516	401873199	/nfs/dbraw/zinc/87/31/99/401873199.db2.gz	KDZYPFLVLBSRMC-DOTOQJQBSA-N	1	3	303.450	2.235	40	0		DEABHO
Cc1ccc(CN2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)s1	ZINC000096052284	402051781	/nfs/dbraw/zinc/05/17/81/402051781.db2.gz	NHHCRIJOALYMQZ-NVXWUHKLSA-N	1	3	324.490	2.368	40	0		DEABHO
CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21	ZINC000096185567	402066350	/nfs/dbraw/zinc/06/63/50/402066350.db2.gz	RHNMGTCMOLVZLW-VYDXJSESSA-N	1	3	321.490	2.121	40	0		DEABHO
C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000249699611	225244940	/nfs/dbraw/zinc/24/49/40/225244940.db2.gz	WWKWDFDVFDZMQR-XIRDDKMYSA-N	1	3	315.461	2.426	40	0		DEABHO
C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1	ZINC000249699611	225244945	/nfs/dbraw/zinc/24/49/45/225244945.db2.gz	WWKWDFDVFDZMQR-XIRDDKMYSA-N	1	3	315.461	2.426	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415535	185170291	/nfs/dbraw/zinc/17/02/91/185170291.db2.gz	WTCGRYPKYZKMFN-DOTOQJQBSA-N	1	3	303.450	2.235	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415535	185170292	/nfs/dbraw/zinc/17/02/92/185170292.db2.gz	WTCGRYPKYZKMFN-DOTOQJQBSA-N	1	3	303.450	2.235	40	0		DEABHO
CCN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H](C)N	ZINC000079404486	185169645	/nfs/dbraw/zinc/16/96/45/185169645.db2.gz	VEZJVAPSNZSHCI-HNNXBMFYSA-N	1	3	303.450	2.094	40	0		DEABHO
COc1ccc(C[NH+]2CCC3(CC2)OCCCC3O)c(OC)c1	ZINC000257283508	203011926	/nfs/dbraw/zinc/01/19/26/203011926.db2.gz	OYQGUNRJUBPGSK-KRWDZBQOSA-N	1	3	321.417	2.210	40	0		DEABHO
c1csc(CN2C[C@H]3CCC[C@@H](C[NH+]4CCOCC4)[C@H]3C2)n1	ZINC000096090768	402057725	/nfs/dbraw/zinc/05/77/25/402057725.db2.gz	BWLJWQMGAKCHIV-ARFHVFGLSA-N	1	3	321.490	2.323	40	0		DEABHO
N=C(N)Nc1ccc(Sc2ccc(NC(N)=[NH2+])cc2)cc1	ZINC000001705420	401710040	/nfs/dbraw/zinc/71/00/40/401710040.db2.gz	LNPDUWGHPCQXJU-UHFFFAOYSA-N	1	3	300.391	2.449	40	0		DEABHO
CC[N@H+](Cc1ccccc1)C1CCC(NC(=O)[C@H](C)N)CC1	ZINC000079415498	185170531	/nfs/dbraw/zinc/17/05/31/185170531.db2.gz	LWWLRYYGOOHGPF-OOHWJJMZSA-N	1	3	303.450	2.283	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)C1CCC(NC(=O)[C@H](C)N)CC1	ZINC000079415498	185170532	/nfs/dbraw/zinc/17/05/32/185170532.db2.gz	LWWLRYYGOOHGPF-OOHWJJMZSA-N	1	3	303.450	2.283	40	0		DEABHO
CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415827	185170882	/nfs/dbraw/zinc/17/08/82/185170882.db2.gz	UXTQGLGKLAISEH-MSOLQXFVSA-N	1	3	317.477	2.483	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415827	185170883	/nfs/dbraw/zinc/17/08/83/185170883.db2.gz	UXTQGLGKLAISEH-MSOLQXFVSA-N	1	3	317.477	2.483	40	0		DEABHO
COc1c2c(c([C@@](C)([NH3+])C(C)C)c3c1CN(C)CC3)OCO2	ZINC000242648386	257120266	/nfs/dbraw/zinc/12/02/66/257120266.db2.gz	QVZVSMNKZXNHGC-KRWDZBQOSA-N	1	3	306.406	2.242	40	0		DEABHO
c1cncc(CN2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)c1	ZINC000096047955	402050960	/nfs/dbraw/zinc/05/09/60/402050960.db2.gz	DXFOLTYPABODIY-QGZVFWFLSA-N	1	3	301.434	2.301	40	0		DEABHO
Cc1ccc(CN2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)s1	ZINC000107739486	402240122	/nfs/dbraw/zinc/24/01/22/402240122.db2.gz	NHHCRIJOALYMQZ-RDJZCZTQSA-N	1	3	324.490	2.368	40	0		DEABHO
NCC(=O)N[C@@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000100337137	303367162	/nfs/dbraw/zinc/36/71/62/303367162.db2.gz	VHONRWKVLKYBPO-IAGOWNOFSA-N	1	3	301.434	2.037	40	0		DEABHO
NCC(=O)N[C@@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000100337137	303367165	/nfs/dbraw/zinc/36/71/65/303367165.db2.gz	VHONRWKVLKYBPO-IAGOWNOFSA-N	1	3	301.434	2.037	40	0		DEABHO
CC(C)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)CN	ZINC000079404275	185169118	/nfs/dbraw/zinc/16/91/18/185169118.db2.gz	RPNBHAUHIRUVMU-KRWDZBQOSA-N	1	3	303.450	2.094	40	0		DEABHO
CC(C)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)CN	ZINC000079404275	185169119	/nfs/dbraw/zinc/16/91/19/185169119.db2.gz	RPNBHAUHIRUVMU-KRWDZBQOSA-N	1	3	303.450	2.094	40	0		DEABHO
C[C@H](N)C(=O)N(CC1CC[NH+](Cc2ccccc2)CC1)C1CC1	ZINC000079404590	185169592	/nfs/dbraw/zinc/16/95/92/185169592.db2.gz	QCSCPHLSQCRQRO-HNNXBMFYSA-N	1	3	315.461	2.237	40	0		DEABHO
CN1CCC2(CC1)C[N@H+](C[C@H]1CCOC1)Cc1ccccc1O2	ZINC000072394177	401709867	/nfs/dbraw/zinc/70/98/67/401709867.db2.gz	FPLZYVCGCFPPLG-MRXNPFEDSA-N	1	3	316.445	2.382	40	0		DEABHO
CN1CCC2(CC1)C[N@@H+](C[C@H]1CCOC1)Cc1ccccc1O2	ZINC000072394177	401709871	/nfs/dbraw/zinc/70/98/71/401709871.db2.gz	FPLZYVCGCFPPLG-MRXNPFEDSA-N	1	3	316.445	2.382	40	0		DEABHO
CC(C)[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O	ZINC000096241386	402074117	/nfs/dbraw/zinc/07/41/17/402074117.db2.gz	XJXNMBQUTMHNPU-UHFFFAOYSA-N	1	3	315.461	2.337	40	0		DEABHO
CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000079404626	185169762	/nfs/dbraw/zinc/16/97/62/185169762.db2.gz	ZKMFFZAVIGRELK-SJORKVTESA-N	1	3	303.450	2.141	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C	ZINC000079415807	185170982	/nfs/dbraw/zinc/17/09/82/185170982.db2.gz	FRGJTDSUAZVNOE-ROUUACIJSA-N	1	3	317.477	2.483	40	0		DEABHO
CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C	ZINC000079415807	185170983	/nfs/dbraw/zinc/17/09/83/185170983.db2.gz	FRGJTDSUAZVNOE-ROUUACIJSA-N	1	3	317.477	2.483	40	0		DEABHO
CN(C)CCNC(=O)C1CC[NH+](CCCc2ccccc2)CC1	ZINC000195519226	201399205	/nfs/dbraw/zinc/39/92/05/201399205.db2.gz	LKOSBPJQIXITJJ-UHFFFAOYSA-N	1	3	317.477	2.009	40	0		DEABHO
COc1ccc(CNCC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013381829	401799216	/nfs/dbraw/zinc/79/92/16/401799216.db2.gz	YPTJQGIRFIIISJ-RLFYNMQTSA-N	1	3	306.450	2.266	40	0		DEABHO
COc1ccc(CNCC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000013381829	401799218	/nfs/dbraw/zinc/79/92/18/401799218.db2.gz	YPTJQGIRFIIISJ-RLFYNMQTSA-N	1	3	306.450	2.266	40	0		DEABHO
COc1ccc(CNCC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013381827	401799546	/nfs/dbraw/zinc/79/95/46/401799546.db2.gz	YPTJQGIRFIIISJ-HDMKZQKVSA-N	1	3	306.450	2.266	40	0		DEABHO
COc1ccc(CNCC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000013381827	401799548	/nfs/dbraw/zinc/79/95/48/401799548.db2.gz	YPTJQGIRFIIISJ-HDMKZQKVSA-N	1	3	306.450	2.266	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1	ZINC000079415757	185170944	/nfs/dbraw/zinc/17/09/44/185170944.db2.gz	HKERXCLCSMZTLD-MSOLQXFVSA-N	1	3	317.477	2.340	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1	ZINC000079415757	185170945	/nfs/dbraw/zinc/17/09/45/185170945.db2.gz	HKERXCLCSMZTLD-MSOLQXFVSA-N	1	3	317.477	2.340	40	0		DEABHO
CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000079390971	185168015	/nfs/dbraw/zinc/16/80/15/185168015.db2.gz	POTLHPIZNHELMF-ROUUACIJSA-N	1	3	317.477	2.483	40	0		DEABHO
CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079390950	185168056	/nfs/dbraw/zinc/16/80/56/185168056.db2.gz	BZTXXBHXYHGLPN-MSOLQXFVSA-N	1	3	317.477	2.340	40	0		DEABHO
CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000079390950	185168057	/nfs/dbraw/zinc/16/80/57/185168057.db2.gz	BZTXXBHXYHGLPN-MSOLQXFVSA-N	1	3	317.477	2.340	40	0		DEABHO
C[NH+](C)CCCN[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O	ZINC000585286460	357344805	/nfs/dbraw/zinc/34/48/05/357344805.db2.gz	YKYGDLWDCGGRAF-GVDBMIGSSA-N	1	3	310.413	2.028	40	0		DEABHO
c1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3C[NH+]3CCCC3)C2)ccn1	ZINC000096185261	402065572	/nfs/dbraw/zinc/06/55/72/402065572.db2.gz	BEPNOGKEKHIALK-KURKYZTESA-N	1	3	301.434	2.014	40	0		DEABHO
CC(C)N1CCOC[C@@]2(CC[C@@H](C[NH2+]Cc3cccs3)O2)C1	ZINC000306125174	529045997	/nfs/dbraw/zinc/04/59/97/529045997.db2.gz	CIIKADJYZREJIQ-DOTOQJQBSA-N	1	3	324.490	2.496	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415531	185170359	/nfs/dbraw/zinc/17/03/59/185170359.db2.gz	WTCGRYPKYZKMFN-RDJZCZTQSA-N	1	3	303.450	2.235	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)N)C1	ZINC000079415531	185170360	/nfs/dbraw/zinc/17/03/60/185170360.db2.gz	WTCGRYPKYZKMFN-RDJZCZTQSA-N	1	3	303.450	2.235	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CC[C@@H]([N@H+](Cc2ccccc2)C(C)C)C1	ZINC000079415884	185170719	/nfs/dbraw/zinc/17/07/19/185170719.db2.gz	VZXIAQORMWPDFR-MSOLQXFVSA-N	1	3	317.477	2.481	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CC[C@@H]([N@@H+](Cc2ccccc2)C(C)C)C1	ZINC000079415884	185170720	/nfs/dbraw/zinc/17/07/20/185170720.db2.gz	VZXIAQORMWPDFR-MSOLQXFVSA-N	1	3	317.477	2.481	40	0		DEABHO
COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CN(C)C)C2)cc1	ZINC000096056205	402052987	/nfs/dbraw/zinc/05/29/87/402052987.db2.gz	JYLHMDMDEUISAD-NXHRZFHOSA-N	1	3	304.434	2.094	40	0		DEABHO
COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CN(C)C)C2)cc1	ZINC000096056205	402052989	/nfs/dbraw/zinc/05/29/89/402052989.db2.gz	JYLHMDMDEUISAD-NXHRZFHOSA-N	1	3	304.434	2.094	40	0		DEABHO
C[NH+](C)CCO[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@@H]21	ZINC000096057447	402053732	/nfs/dbraw/zinc/05/37/32/402053732.db2.gz	LYIREKBECXNWIY-PMPSAXMXSA-N	1	3	310.463	2.058	40	0		DEABHO
C[C@@]1(CO)CCCCN1C/C=C/C[N@@H+]1CCCC[C@@]1(C)CO	ZINC000253416882	402664452	/nfs/dbraw/zinc/66/44/52/402664452.db2.gz	HRGQDTNSUTYICD-VUOWKATKSA-N	1	3	310.482	2.016	40	0		DEABHO
C[C@@]1(CO)CCCCN1C/C=C/C[N@H+]1CCCC[C@@]1(C)CO	ZINC000253416882	402664455	/nfs/dbraw/zinc/66/44/55/402664455.db2.gz	HRGQDTNSUTYICD-VUOWKATKSA-N	1	3	310.482	2.016	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C)N)CC1	ZINC000079415493	285112388	/nfs/dbraw/zinc/11/23/88/285112388.db2.gz	BCLLBIAPZFZMHH-HNNXBMFYSA-N	1	3	303.450	2.094	40	0		DEABHO
CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C)N)CC1	ZINC000079415493	285112389	/nfs/dbraw/zinc/11/23/89/285112389.db2.gz	BCLLBIAPZFZMHH-HNNXBMFYSA-N	1	3	303.450	2.094	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000079415765	185170921	/nfs/dbraw/zinc/17/09/21/185170921.db2.gz	RESVSODOKCKBHL-SFHVURJKSA-N	1	3	317.477	2.340	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000079415765	185170922	/nfs/dbraw/zinc/17/09/22/185170922.db2.gz	RESVSODOKCKBHL-SFHVURJKSA-N	1	3	317.477	2.340	40	0		DEABHO
C[N@@H+]1[C@H](CN2CCCC2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21	ZINC000096185584	402066275	/nfs/dbraw/zinc/06/62/75/402066275.db2.gz	SRHLQCDANJRIRA-SQNIBIBYSA-N	1	3	303.450	2.270	40	0		DEABHO
C[N@H+]1[C@H](CN2CCCC2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21	ZINC000096185584	402066278	/nfs/dbraw/zinc/06/62/78/402066278.db2.gz	SRHLQCDANJRIRA-SQNIBIBYSA-N	1	3	303.450	2.270	40	0		DEABHO
CN1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21	ZINC000096185584	402066280	/nfs/dbraw/zinc/06/62/80/402066280.db2.gz	SRHLQCDANJRIRA-SQNIBIBYSA-N	1	3	303.450	2.270	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)CN	ZINC000101667128	355710023	/nfs/dbraw/zinc/71/00/23/355710023.db2.gz	DEFNQEILKZXQAF-IAGOWNOFSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)CN	ZINC000101667128	355710024	/nfs/dbraw/zinc/71/00/24/355710024.db2.gz	DEFNQEILKZXQAF-IAGOWNOFSA-N	1	3	303.450	2.283	40	0		DEABHO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCN(C)C)cc2)C1	ZINC000044910131	401950518	/nfs/dbraw/zinc/95/05/18/401950518.db2.gz	KWLJJZRZRVDNJF-HNNXBMFYSA-N	1	3	303.450	2.210	40	0		DEABHO
C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCN(C)C)cc2)C1	ZINC000044910131	401950521	/nfs/dbraw/zinc/95/05/21/401950521.db2.gz	KWLJJZRZRVDNJF-HNNXBMFYSA-N	1	3	303.450	2.210	40	0		DEABHO
c1cc(C[N@H+]2C[C@H]3CCN(C[C@H]4CCCO4)C[C@H]3C2)ccn1	ZINC000107800624	402240423	/nfs/dbraw/zinc/24/04/23/402240423.db2.gz	ZKXRGQZQRGZTND-FGTMMUONSA-N	1	3	301.434	2.014	40	0		DEABHO
c1cc(C[N@@H+]2C[C@H]3CCN(C[C@H]4CCCO4)C[C@H]3C2)ccn1	ZINC000107800624	402240425	/nfs/dbraw/zinc/24/04/25/402240425.db2.gz	ZKXRGQZQRGZTND-FGTMMUONSA-N	1	3	301.434	2.014	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415823	185170678	/nfs/dbraw/zinc/17/06/78/185170678.db2.gz	QJEGCWHYPAAKGS-MSOLQXFVSA-N	1	3	317.477	2.340	40	0		DEABHO
CC[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415823	185170679	/nfs/dbraw/zinc/17/06/79/185170679.db2.gz	QJEGCWHYPAAKGS-MSOLQXFVSA-N	1	3	317.477	2.340	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C1CCC(NC(=O)CN)CC1	ZINC000079394318	185168855	/nfs/dbraw/zinc/16/88/55/185168855.db2.gz	CZYZWFWZEROSQK-UHFFFAOYSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C1CCC(NC(=O)CN)CC1	ZINC000079394318	185168856	/nfs/dbraw/zinc/16/88/56/185168856.db2.gz	CZYZWFWZEROSQK-UHFFFAOYSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000079404622	185169507	/nfs/dbraw/zinc/16/95/07/185169507.db2.gz	ZKMFFZAVIGRELK-IRXDYDNUSA-N	1	3	303.450	2.141	40	0		DEABHO
C[NH+](C)[C@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC000096158615	193556094	/nfs/dbraw/zinc/55/60/94/193556094.db2.gz	FYHFNZLCNOFMAO-OAHLLOKOSA-N	1	3	318.417	2.100	40	0		DEABHO
C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415697	401873283	/nfs/dbraw/zinc/87/32/83/401873283.db2.gz	UMGDQPUHAYHDGC-JCGIZDLHSA-N	1	3	315.461	2.426	40	0		DEABHO
C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000079415697	401873285	/nfs/dbraw/zinc/87/32/85/401873285.db2.gz	UMGDQPUHAYHDGC-JCGIZDLHSA-N	1	3	315.461	2.426	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1	ZINC000242463395	528950139	/nfs/dbraw/zinc/95/01/39/528950139.db2.gz	CZYZWFWZEROSQK-QAQDUYKDSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1	ZINC000242463395	528950146	/nfs/dbraw/zinc/95/01/46/528950146.db2.gz	CZYZWFWZEROSQK-QAQDUYKDSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404527	185169797	/nfs/dbraw/zinc/16/97/97/185169797.db2.gz	PYZNTYXCXWJKQO-FUHWJXTLSA-N	1	3	317.477	2.483	40	0		DEABHO
CC(C)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404527	185169798	/nfs/dbraw/zinc/16/97/98/185169798.db2.gz	PYZNTYXCXWJKQO-FUHWJXTLSA-N	1	3	317.477	2.483	40	0		DEABHO
NCC(=O)NC1CCC([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079391060	185168098	/nfs/dbraw/zinc/16/80/98/185168098.db2.gz	BRLOOPRCGLNTMT-UHFFFAOYSA-N	1	3	301.434	2.037	40	0		DEABHO
NCC(=O)NC1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079391060	185168099	/nfs/dbraw/zinc/16/80/99/185168099.db2.gz	BRLOOPRCGLNTMT-UHFFFAOYSA-N	1	3	301.434	2.037	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1	ZINC000079415743	401873276	/nfs/dbraw/zinc/87/32/76/401873276.db2.gz	RFQOZXDMQKMCHI-KRWDZBQOSA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1	ZINC000079415743	401873278	/nfs/dbraw/zinc/87/32/78/401873278.db2.gz	RFQOZXDMQKMCHI-KRWDZBQOSA-N	1	3	303.450	2.093	40	0		DEABHO
CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2CN(Cc3ccsc3)CC[C@@H]21	ZINC000107202954	402227779	/nfs/dbraw/zinc/22/77/79/402227779.db2.gz	NWDDCAWAMFPJNF-IKGGRYGDSA-N	1	3	321.490	2.121	40	0		DEABHO
C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415687	401873311	/nfs/dbraw/zinc/87/33/11/401873311.db2.gz	UMGDQPUHAYHDGC-QGTPRVQTSA-N	1	3	315.461	2.426	40	0		DEABHO
C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000079415687	401873312	/nfs/dbraw/zinc/87/33/12/401873312.db2.gz	UMGDQPUHAYHDGC-QGTPRVQTSA-N	1	3	315.461	2.426	40	0		DEABHO
C[C@H](N)C(=O)N(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079404582	185169730	/nfs/dbraw/zinc/16/97/30/185169730.db2.gz	MLCZKCATIVVTFZ-MAUKXSAKSA-N	1	3	315.461	2.379	40	0		DEABHO
C[C@H](N)C(=O)N(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1	ZINC000079404582	185169731	/nfs/dbraw/zinc/16/97/31/185169731.db2.gz	MLCZKCATIVVTFZ-MAUKXSAKSA-N	1	3	315.461	2.379	40	0		DEABHO
Cc1ccc(CN2CCOC[C@]3(C[C@@H](C[NH+](C)C)CO3)C2)s1	ZINC000107738583	402240236	/nfs/dbraw/zinc/24/02/36/402240236.db2.gz	FOPSIGWHEHBWMQ-RDJZCZTQSA-N	1	3	324.490	2.226	40	0		DEABHO
COc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN(C)C)[C@H]3C2)cc1	ZINC000096056230	402053057	/nfs/dbraw/zinc/05/30/57/402053057.db2.gz	GKMGDWSOHBLDOI-RYQLBKOJSA-N	1	3	304.434	2.094	40	0		DEABHO
COc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CN(C)C)[C@H]3C2)cc1	ZINC000096056230	402053060	/nfs/dbraw/zinc/05/30/60/402053060.db2.gz	GKMGDWSOHBLDOI-RYQLBKOJSA-N	1	3	304.434	2.094	40	0		DEABHO
NCC(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000100178257	402139960	/nfs/dbraw/zinc/13/99/60/402139960.db2.gz	BRLOOPRCGLNTMT-IYBDPMFKSA-N	1	3	301.434	2.037	40	0		DEABHO
NCC(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1	ZINC000100178257	402139963	/nfs/dbraw/zinc/13/99/63/402139963.db2.gz	BRLOOPRCGLNTMT-IYBDPMFKSA-N	1	3	301.434	2.037	40	0		DEABHO
CC(C)N1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3cccs3)O2)C1	ZINC000306125175	529046235	/nfs/dbraw/zinc/04/62/35/529046235.db2.gz	CIIKADJYZREJIQ-NVXWUHKLSA-N	1	3	324.490	2.496	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@H](C)N)C1	ZINC000079415524	185170520	/nfs/dbraw/zinc/17/05/20/185170520.db2.gz	RUNLXNSEGOWYKS-RDJZCZTQSA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@H](C)N)C1	ZINC000079415524	185170521	/nfs/dbraw/zinc/17/05/21/185170521.db2.gz	RUNLXNSEGOWYKS-RDJZCZTQSA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CN	ZINC000079393800	185168714	/nfs/dbraw/zinc/16/87/14/185168714.db2.gz	DEFNQEILKZXQAF-DLBZAZTESA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CN	ZINC000079393800	185168715	/nfs/dbraw/zinc/16/87/15/185168715.db2.gz	DEFNQEILKZXQAF-DLBZAZTESA-N	1	3	303.450	2.283	40	0		DEABHO
COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(Cc1ccoc1)CC2	ZINC000585104301	357333835	/nfs/dbraw/zinc/33/38/35/357333835.db2.gz	YLJGXTCIUMGNOP-KRWDZBQOSA-N	1	3	322.449	2.086	40	0		DEABHO
COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(Cc1ccoc1)CC2	ZINC000585104301	357333837	/nfs/dbraw/zinc/33/38/37/357333837.db2.gz	YLJGXTCIUMGNOP-KRWDZBQOSA-N	1	3	322.449	2.086	40	0		DEABHO
CN1CCC(NC(=O)c2ncccc2-c2cccc(C[NH3+])c2)CC1	ZINC000257228002	402705797	/nfs/dbraw/zinc/70/57/97/402705797.db2.gz	FRXZTTCUPSIIFD-UHFFFAOYSA-N	1	3	324.428	2.031	40	0		DEABHO
CN(C)CCN1CCC2(CC[NH+](Cc3cccs3)CC2)C1=O	ZINC000096046782	402050127	/nfs/dbraw/zinc/05/01/27/402050127.db2.gz	OOXYASALSISHKW-UHFFFAOYSA-N	1	3	321.490	2.124	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@H](C)N	ZINC000079415481	276142411	/nfs/dbraw/zinc/14/24/11/276142411.db2.gz	PSCBSRNHNTXOPI-DOTOQJQBSA-N	1	3	303.450	2.237	40	0		DEABHO
CC[N@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@H](C)N	ZINC000079415481	276142413	/nfs/dbraw/zinc/14/24/13/276142413.db2.gz	PSCBSRNHNTXOPI-DOTOQJQBSA-N	1	3	303.450	2.237	40	0		DEABHO
CC(C)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404505	185169788	/nfs/dbraw/zinc/16/97/88/185169788.db2.gz	LOKPEQNBDPEOIP-RDJZCZTQSA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404505	185169789	/nfs/dbraw/zinc/16/97/89/185169789.db2.gz	LOKPEQNBDPEOIP-RDJZCZTQSA-N	1	3	303.450	2.093	40	0		DEABHO
CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N	ZINC000079415501	185170536	/nfs/dbraw/zinc/17/05/36/185170536.db2.gz	TVSXZBNHJPRRAT-BHYGNILZSA-N	1	3	303.450	2.283	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N	ZINC000079415501	185170537	/nfs/dbraw/zinc/17/05/37/185170537.db2.gz	TVSXZBNHJPRRAT-BHYGNILZSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CC[C@H]([N@H+](Cc2ccccc2)C(C)C)C1	ZINC000079415876	185170610	/nfs/dbraw/zinc/17/06/10/185170610.db2.gz	VZXIAQORMWPDFR-ROUUACIJSA-N	1	3	317.477	2.481	40	0		DEABHO
CC(C)[C@H](N)C(=O)N1CC[C@H]([N@@H+](Cc2ccccc2)C(C)C)C1	ZINC000079415876	185170611	/nfs/dbraw/zinc/17/06/11/185170611.db2.gz	VZXIAQORMWPDFR-ROUUACIJSA-N	1	3	317.477	2.481	40	0		DEABHO
Cn1cc(CN2C[C@H]3CCC[C@@H](C[NH+]4CCCC4)[C@H]3C2)cn1	ZINC000096081880	402057581	/nfs/dbraw/zinc/05/75/81/402057581.db2.gz	VSJDEDXTDSDGMT-RCCFBDPRSA-N	1	3	302.466	2.364	40	0		DEABHO
CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000079390967	185167924	/nfs/dbraw/zinc/16/79/24/185167924.db2.gz	POTLHPIZNHELMF-MSOLQXFVSA-N	1	3	317.477	2.483	40	0		DEABHO
Cc1cc(N2CCN(CC3CC3)CC2)cc([C@H]2CCC[NH2+]2)n1	ZINC000019697995	401823171	/nfs/dbraw/zinc/82/31/71/401823171.db2.gz	IWVZEMCDOVUVBP-QGZVFWFLSA-N	1	3	300.450	2.347	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@H](C)N)C1	ZINC000079415528	401872754	/nfs/dbraw/zinc/87/27/54/401872754.db2.gz	RUNLXNSEGOWYKS-DOTOQJQBSA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@H](C)N)C1	ZINC000079415528	401872758	/nfs/dbraw/zinc/87/27/58/401872758.db2.gz	RUNLXNSEGOWYKS-DOTOQJQBSA-N	1	3	303.450	2.093	40	0		DEABHO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCN(C)C)cc2)C1	ZINC000044910129	401950564	/nfs/dbraw/zinc/95/05/64/401950564.db2.gz	KWLJJZRZRVDNJF-OAHLLOKOSA-N	1	3	303.450	2.210	40	0		DEABHO
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCN(C)C)cc2)C1	ZINC000044910129	401950568	/nfs/dbraw/zinc/95/05/68/401950568.db2.gz	KWLJJZRZRVDNJF-OAHLLOKOSA-N	1	3	303.450	2.210	40	0		DEABHO
CN(C)C[C@]12COC[C@H]1C[N@H+](Cc1ccc3ccccc3n1)C2	ZINC000096108264	402059576	/nfs/dbraw/zinc/05/95/76/402059576.db2.gz	KGSPDGRFVSJISI-APWZRJJASA-N	1	3	311.429	2.245	40	0		DEABHO
CN(C)C[C@]12COC[C@H]1C[N@@H+](Cc1ccc3ccccc3n1)C2	ZINC000096108264	402059578	/nfs/dbraw/zinc/05/95/78/402059578.db2.gz	KGSPDGRFVSJISI-APWZRJJASA-N	1	3	311.429	2.245	40	0		DEABHO
COC[C@@H]1C[N@H+](CC(C)C)CC12CCN(C1CCOCC1)CC2	ZINC000248218017	402585381	/nfs/dbraw/zinc/58/53/81/402585381.db2.gz	HBWBPFSPHCTVHE-KRWDZBQOSA-N	1	3	324.509	2.482	40	0		DEABHO
COC[C@@H]1C[N@@H+](CC(C)C)CC12CCN(C1CCOCC1)CC2	ZINC000248218017	402585382	/nfs/dbraw/zinc/58/53/82/402585382.db2.gz	HBWBPFSPHCTVHE-KRWDZBQOSA-N	1	3	324.509	2.482	40	0		DEABHO
CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N	ZINC000249696761	528830973	/nfs/dbraw/zinc/83/09/73/528830973.db2.gz	TVSXZBNHJPRRAT-USXIJHARSA-N	1	3	303.450	2.283	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N	ZINC000249696761	528830977	/nfs/dbraw/zinc/83/09/77/528830977.db2.gz	TVSXZBNHJPRRAT-USXIJHARSA-N	1	3	303.450	2.283	40	0		DEABHO
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000079404688	185169777	/nfs/dbraw/zinc/16/97/77/185169777.db2.gz	JJBBCQQKPUMVNM-ROUUACIJSA-N	1	3	317.477	2.481	40	0		DEABHO
C[C@H](N)C(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079415663	185170662	/nfs/dbraw/zinc/17/06/62/185170662.db2.gz	YHDKSWMEVRLDFW-RDJZCZTQSA-N	1	3	315.461	2.237	40	0		DEABHO
C[C@H](N)C(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1	ZINC000079415663	185170663	/nfs/dbraw/zinc/17/06/63/185170663.db2.gz	YHDKSWMEVRLDFW-RDJZCZTQSA-N	1	3	315.461	2.237	40	0		DEABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@H](C)N	ZINC000079415523	401872927	/nfs/dbraw/zinc/87/29/27/401872927.db2.gz	KDZYPFLVLBSRMC-RDJZCZTQSA-N	1	3	303.450	2.235	40	0		DEABHO
CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@H](C)N	ZINC000079415523	401872929	/nfs/dbraw/zinc/87/29/29/401872929.db2.gz	KDZYPFLVLBSRMC-RDJZCZTQSA-N	1	3	303.450	2.235	40	0		DEABHO
CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)N	ZINC000079404471	276351070	/nfs/dbraw/zinc/35/10/70/276351070.db2.gz	GICXNEJWZRLKES-RDJZCZTQSA-N	1	3	303.450	2.237	40	0		DEABHO
CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)N	ZINC000079404471	276351072	/nfs/dbraw/zinc/35/10/72/276351072.db2.gz	GICXNEJWZRLKES-RDJZCZTQSA-N	1	3	303.450	2.237	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415816	185170596	/nfs/dbraw/zinc/17/05/96/185170596.db2.gz	QJEGCWHYPAAKGS-ROUUACIJSA-N	1	3	317.477	2.340	40	0		DEABHO
CC[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1	ZINC000079415816	185170597	/nfs/dbraw/zinc/17/05/97/185170597.db2.gz	QJEGCWHYPAAKGS-ROUUACIJSA-N	1	3	317.477	2.340	40	0		DEABHO
NCC(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000247703675	225234563	/nfs/dbraw/zinc/23/45/63/225234563.db2.gz	BRLOOPRCGLNTMT-WKILWMFISA-N	1	3	301.434	2.037	40	0		DEABHO
NCC(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1	ZINC000247703675	225234569	/nfs/dbraw/zinc/23/45/69/225234569.db2.gz	BRLOOPRCGLNTMT-WKILWMFISA-N	1	3	301.434	2.037	40	0		DEABHO
C[NH+](C)CCOC[C@H]1CC[C@H]2[C@H](CCN2Cc2ccsc2)O1	ZINC000096064765	402055480	/nfs/dbraw/zinc/05/54/80/402055480.db2.gz	VOKNWVZBSJUXOH-IKGGRYGDSA-N	1	3	324.490	2.448	40	0		DEABHO
CC(C)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404500	185169679	/nfs/dbraw/zinc/16/96/79/185169679.db2.gz	LOKPEQNBDPEOIP-DOTOQJQBSA-N	1	3	303.450	2.093	40	0		DEABHO
CC(C)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N	ZINC000079404500	185169680	/nfs/dbraw/zinc/16/96/80/185169680.db2.gz	LOKPEQNBDPEOIP-DOTOQJQBSA-N	1	3	303.450	2.093	40	0		DEABHO
C[C@H](N)C(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079415673	185170856	/nfs/dbraw/zinc/17/08/56/185170856.db2.gz	YHDKSWMEVRLDFW-DOTOQJQBSA-N	1	3	315.461	2.237	40	0		DEABHO
C[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1	ZINC000079415673	185170857	/nfs/dbraw/zinc/17/08/57/185170857.db2.gz	YHDKSWMEVRLDFW-DOTOQJQBSA-N	1	3	315.461	2.237	40	0		DEABHO
[NH3+]Cc1cccc(-c2cccnc2C(=O)NCCN2CCCC2)c1	ZINC000257336760	203057475	/nfs/dbraw/zinc/05/74/75/203057475.db2.gz	YPYAORNWBRCVMG-UHFFFAOYSA-N	1	3	324.428	2.033	40	0		DEABHO
Cc1cccc(O[C@@H]2CCC[C@H](NCCC[NH+](C)C)[C@H]2O)c1	ZINC000585289358	357344909	/nfs/dbraw/zinc/34/49/09/357344909.db2.gz	QFAHEJXZGRVKAA-RCCFBDPRSA-N	1	3	306.450	2.197	40	0		DEABHO
CC(C)N1CCOC[C@]2(CC[C@H](C[NH2+]Cc3cccs3)O2)C1	ZINC000306125177	529045833	/nfs/dbraw/zinc/04/58/33/529045833.db2.gz	CIIKADJYZREJIQ-WBVHZDCISA-N	1	3	324.490	2.496	40	0		DEABHO
CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H](N)C(C)C	ZINC000079415811	185170783	/nfs/dbraw/zinc/17/07/83/185170783.db2.gz	FRGJTDSUAZVNOE-MSOLQXFVSA-N	1	3	317.477	2.483	40	0		DEABHO
CC[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H](N)C(C)C	ZINC000079415811	185170784	/nfs/dbraw/zinc/17/07/84/185170784.db2.gz	FRGJTDSUAZVNOE-MSOLQXFVSA-N	1	3	317.477	2.483	40	0		DEABHO
c1cnc2[nH]c(C3CC[NH2+]CC3)c(CN3CCCOCC3)c2c1	ZINC000072394699	191149619	/nfs/dbraw/zinc/14/96/19/191149619.db2.gz	VPNDNEMVUUAHGJ-UHFFFAOYSA-N	1	3	314.433	2.252	40	0		DEABHO
COc1ccc(CNCC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004785351	181152120	/nfs/dbraw/zinc/15/21/20/181152120.db2.gz	YPTJQGIRFIIISJ-RVKKMQEKSA-N	1	3	306.450	2.266	40	0		DEABHO
COc1ccc(CNCC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004785351	181152121	/nfs/dbraw/zinc/15/21/21/181152121.db2.gz	YPTJQGIRFIIISJ-RVKKMQEKSA-N	1	3	306.450	2.266	40	0		DEABHO
C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CCN(C1CCOCC1)CC2	ZINC000585104268	357333681	/nfs/dbraw/zinc/33/36/81/357333681.db2.gz	XMJNOBAXNWBCOL-QGZVFWFLSA-N	1	3	322.493	2.236	40	0		DEABHO
C[N@H+]1C[C@H](COCC2CC2)C2(C1)CCN(C1CCOCC1)CC2	ZINC000585104268	357333682	/nfs/dbraw/zinc/33/36/82/357333682.db2.gz	XMJNOBAXNWBCOL-QGZVFWFLSA-N	1	3	322.493	2.236	40	0		DEABHO
NCC(=O)N[C@@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000100337132	402140785	/nfs/dbraw/zinc/14/07/85/402140785.db2.gz	VHONRWKVLKYBPO-SJORKVTESA-N	1	3	301.434	2.037	40	0		DEABHO
NCC(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000100337132	402140786	/nfs/dbraw/zinc/14/07/86/402140786.db2.gz	VHONRWKVLKYBPO-SJORKVTESA-N	1	3	301.434	2.037	40	0		DEABHO
Cc1ccc(CN2CCOC[C@]3(C[C@H](C[NH+](C)C)CO3)C2)s1	ZINC000096051935	402052094	/nfs/dbraw/zinc/05/20/94/402052094.db2.gz	FOPSIGWHEHBWMQ-WBVHZDCISA-N	1	3	324.490	2.226	40	0		DEABHO
COCC[NH+]1CCC2(CC1)CN(CC1CC1)Cc1cccnc12	ZINC000306134634	403950958	/nfs/dbraw/zinc/95/09/58/403950958.db2.gz	NTWCQEPXCWUYRJ-UHFFFAOYSA-N	1	3	315.461	2.287	40	0		DEABHO