smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccccc1F	ZINC000013732946	558587312	/nfs/dbraw/zinc/58/73/12/558587312.db2.gz	VKAQXWYYJIUMJV-UHFFFAOYSA-N	2	1	410.917	3.518	10	0		HHAEMP
CCOc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccc(C)cc1	ZINC000013733233	558587660	/nfs/dbraw/zinc/58/76/60/558587660.db2.gz	XDMOFGPNWZVMNG-UHFFFAOYSA-N	2	1	406.954	3.688	10	0		HHAEMP
COc1cc2c(cc1OC)[C@@H]1C[C@H](OC(=O)[C@H]([NH3+])C(C)C)[C@@H](CC(C)C)C[N@H+]1CC2	ZINC000197586718	568500831	/nfs/dbraw/zinc/50/08/31/568500831.db2.gz	GEJDGVNQKABXKG-QUZFRVLNSA-N	2	1	418.578	3.564	10	0		HHAEMP
CCOc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccc(F)cc1	ZINC000013732943	558587306	/nfs/dbraw/zinc/58/73/06/558587306.db2.gz	FKTPJVNGCWTNLR-UHFFFAOYSA-N	2	1	410.917	3.518	10	0		HHAEMP
C[N@@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1)Cc1cccnc1	ZINC000015067489	962645216	/nfs/dbraw/zinc/64/52/16/962645216.db2.gz	VNRAMDMDZKZKLP-RUZDIDTESA-N	2	1	417.553	3.512	10	0		HHAEMP
C[NH+](Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1)Cc1cccnc1	ZINC000015067489	962645223	/nfs/dbraw/zinc/64/52/23/962645223.db2.gz	VNRAMDMDZKZKLP-RUZDIDTESA-N	2	1	417.553	3.512	10	0		HHAEMP
C[NH+](Cc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1)Cc1cccnc1	ZINC000015067489	962645235	/nfs/dbraw/zinc/64/52/35/962645235.db2.gz	VNRAMDMDZKZKLP-RUZDIDTESA-N	2	1	417.553	3.512	10	0		HHAEMP
CCc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2	ZINC000011936720	558300932	/nfs/dbraw/zinc/30/09/32/558300932.db2.gz	OMSYCBGBGPYZNC-RUZDIDTESA-N	2	1	408.590	3.783	10	0		HHAEMP
CCc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2	ZINC000011936720	558300934	/nfs/dbraw/zinc/30/09/34/558300934.db2.gz	OMSYCBGBGPYZNC-RUZDIDTESA-N	2	1	408.590	3.783	10	0		HHAEMP
COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccccc1Cl	ZINC000013732956	558587290	/nfs/dbraw/zinc/58/72/90/558587290.db2.gz	BUBROLVRPRKUIU-UHFFFAOYSA-N	2	1	413.345	3.643	10	0		HHAEMP
CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)CC1	ZINC000012028339	558310628	/nfs/dbraw/zinc/31/06/28/558310628.db2.gz	GEKADXBBAJOYNK-DEOSSOPVSA-N	2	1	419.560	3.900	10	0		HHAEMP
CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)CC1	ZINC000012028339	558310630	/nfs/dbraw/zinc/31/06/30/558310630.db2.gz	GEKADXBBAJOYNK-DEOSSOPVSA-N	2	1	419.560	3.900	10	0		HHAEMP
CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000020608759	558389200	/nfs/dbraw/zinc/38/92/00/558389200.db2.gz	RNKVOEYRZFRAMG-FQEVSTJZSA-N	2	1	417.667	3.552	10	0		HHAEMP
COc1cccc(C[NH2+]CCC[NH2+]CCO)c1OCc1ccc(Cl)cc1Cl	ZINC000013732812	558587300	/nfs/dbraw/zinc/58/73/00/558587300.db2.gz	WFCSKXWZPAKFCX-UHFFFAOYSA-N	2	1	413.345	3.643	10	0		HHAEMP
CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)CC1	ZINC000012028337	558310742	/nfs/dbraw/zinc/31/07/42/558310742.db2.gz	GEKADXBBAJOYNK-XMMPIXPASA-N	2	1	419.560	3.900	10	0		HHAEMP
CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)CC1	ZINC000012028337	558310745	/nfs/dbraw/zinc/31/07/45/558310745.db2.gz	GEKADXBBAJOYNK-XMMPIXPASA-N	2	1	419.560	3.900	10	0		HHAEMP
CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000020608758	558389058	/nfs/dbraw/zinc/38/90/58/558389058.db2.gz	RNKVOEYRZFRAMG-HXUWFJFHSA-N	2	1	417.667	3.552	10	0		HHAEMP
COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000013732952	558587322	/nfs/dbraw/zinc/58/73/22/558587322.db2.gz	NBBYOLLAOSHSOG-UHFFFAOYSA-N	2	1	413.345	3.643	10	0		HHAEMP
CCc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2	ZINC000011936721	558300908	/nfs/dbraw/zinc/30/09/08/558300908.db2.gz	OMSYCBGBGPYZNC-VWLOTQADSA-N	2	1	408.590	3.783	10	0		HHAEMP
CCc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2	ZINC000011936721	558300910	/nfs/dbraw/zinc/30/09/10/558300910.db2.gz	OMSYCBGBGPYZNC-VWLOTQADSA-N	2	1	408.590	3.783	10	0		HHAEMP
C[N@@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cc1)Cc1cccnc1	ZINC000015067486	962644992	/nfs/dbraw/zinc/64/49/92/962644992.db2.gz	VNRAMDMDZKZKLP-VWLOTQADSA-N	2	1	417.553	3.512	10	0		HHAEMP
C[NH+](Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1)Cc1cccnc1	ZINC000015067486	962644999	/nfs/dbraw/zinc/64/49/99/962644999.db2.gz	VNRAMDMDZKZKLP-VWLOTQADSA-N	2	1	417.553	3.512	10	0		HHAEMP
C[NH+](Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1)Cc1cccnc1	ZINC000015067486	962645008	/nfs/dbraw/zinc/64/50/08/962645008.db2.gz	VNRAMDMDZKZKLP-VWLOTQADSA-N	2	1	417.553	3.512	10	0		HHAEMP