smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1c(Br)cc(C[NH2+]CC2CC[NH2+]CC2)cc1Br	ZINC000010435487	557862142	/nfs/dbraw/zinc/86/21/42/557862142.db2.gz	WHCFZGNVHWWAJB-UHFFFAOYSA-N	2	0	406.162	3.700	10	0		HHAERP
O[C@@H](COc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1)C[NH+]1CCCCCC1	ZINC000012029325	558310967	/nfs/dbraw/zinc/31/09/67/558310967.db2.gz	BRVMBBMTQOPUPB-HXUWFJFHSA-N	2	0	404.501	3.870	10	0		HHAERP
COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccc(Cl)cc1Cl	ZINC000013732788	558587236	/nfs/dbraw/zinc/58/72/36/558587236.db2.gz	IDCFKKDHMCXONA-UHFFFAOYSA-N	2	0	413.345	3.643	10	0		HHAERP
COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1c(Cl)cccc1Cl	ZINC000013733085	558587540	/nfs/dbraw/zinc/58/75/40/558587540.db2.gz	FVJPPUJAYJCXLY-UHFFFAOYSA-N	2	0	413.345	3.643	10	0		HHAERP
COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000013733093	558587635	/nfs/dbraw/zinc/58/76/35/558587635.db2.gz	YLJFHQIBXKHRGM-UHFFFAOYSA-N	2	0	413.345	3.643	10	0		HHAERP
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	568500830	/nfs/dbraw/zinc/50/08/30/568500830.db2.gz	GEJDGVNQKABXKG-QUZFRVLNSA-N	2	0	418.578	3.564	10	0		HHAERP
CCC[NH2+][C@@H]1CCc2nc(C[C@@H]3c4sc(N)nc4CC[C@@H]3[NH2+]CCC)sc2C1	ZINC000065739972	569393381	/nfs/dbraw/zinc/39/33/81/569393381.db2.gz	JCHBDUJCFCQMCJ-ILXRZTDVSA-N	2	0	419.664	3.679	10	0	in-vitro	HHAERP
C[N@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1)Cc1cccnc1	ZINC000015067489	962645204	/nfs/dbraw/zinc/64/52/04/962645204.db2.gz	VNRAMDMDZKZKLP-RUZDIDTESA-N	2	0	417.553	3.512	10	0		HHAERP
CCC[NH2+][C@@H]1CCc2nc(C[C@H]3c4sc(N)nc4CC[C@@H]3[NH2+]CCC)sc2C1	ZINC000065739976	569393308	/nfs/dbraw/zinc/39/33/08/569393308.db2.gz	JCHBDUJCFCQMCJ-KFWWJZLASA-N	2	0	419.664	3.679	10	0	in-vitro	HHAERP
O[C@H](COc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1)C[NH+]1CCCCCC1	ZINC000012029331	558310983	/nfs/dbraw/zinc/31/09/83/558310983.db2.gz	BRVMBBMTQOPUPB-FQEVSTJZSA-N	2	0	404.501	3.870	10	0		HHAERP
CCC[NH2+][C@H]1CCc2nc(C[C@@H]3c4sc(N)nc4CC[C@@H]3[NH2+]CCC)sc2C1	ZINC000065739975	558981243	/nfs/dbraw/zinc/98/12/43/558981243.db2.gz	JCHBDUJCFCQMCJ-KKUMJFAQSA-N	2	0	419.664	3.679	10	0	in-vitro	HHAERP
CCC[NH+]1CCC(N2C[C@H]([NH2+]C3CCCCCCC3)C[C@H]2C(=O)NC(C)C)CC1	ZINC000020136695	519844469	/nfs/dbraw/zinc/84/44/69/519844469.db2.gz	JEGMQVOITSSUHJ-GGAORHGYSA-N	2	0	406.659	3.531	10	0		HHAERP
CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000020608759	558389196	/nfs/dbraw/zinc/38/91/96/558389196.db2.gz	RNKVOEYRZFRAMG-FQEVSTJZSA-N	2	0	417.667	3.552	10	0		HHAERP
CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000020608758	558389050	/nfs/dbraw/zinc/38/90/50/558389050.db2.gz	RNKVOEYRZFRAMG-HXUWFJFHSA-N	2	0	417.667	3.552	10	0		HHAERP
CCC[NH2+][C@H]1CCc2nc(C[C@H]3c4sc(N)nc4CC[C@@H]3[NH2+]CCC)sc2C1	ZINC000065739978	558981138	/nfs/dbraw/zinc/98/11/38/558981138.db2.gz	JCHBDUJCFCQMCJ-ZNMIVQPWSA-N	2	0	419.664	3.679	10	0	in-vitro	HHAERP
C[N@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cc1)Cc1cccnc1	ZINC000015067486	962644979	/nfs/dbraw/zinc/64/49/79/962644979.db2.gz	VNRAMDMDZKZKLP-VWLOTQADSA-N	2	0	417.553	3.512	10	0		HHAERP