smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)CCC[NH2+]Cc1ccc(OCC)c(OCC)c1	ZINC000013733696	211054585	/nfs/dbraw/zinc/05/45/85/211054585.db2.gz	LCPLCQFNKZCJEA-UHFFFAOYSA-N	2	1	364.574	4.866	10	0		FJAEMP
Cc1[nH+]ccn1-c1ccccc1C[NH2+]Cc1cnc(-c2ccccc2C)s1	ZINC000065455703	221220158	/nfs/dbraw/zinc/22/01/58/221220158.db2.gz	QMFSFWYSGUDYRD-UHFFFAOYSA-N	2	1	374.513	4.902	10	0		FJAEMP
Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)o1	ZINC000012003258	570604224	/nfs/dbraw/zinc/60/42/24/570604224.db2.gz	LVFYKQNKFKZZPZ-LJQANCHMSA-N	2	1	360.929	4.628	10	0		FJAEMP
Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)o1	ZINC000012003258	570604228	/nfs/dbraw/zinc/60/42/28/570604228.db2.gz	LVFYKQNKFKZZPZ-LJQANCHMSA-N	2	1	360.929	4.628	10	0		FJAEMP
Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1	ZINC000012003258	570604232	/nfs/dbraw/zinc/60/42/32/570604232.db2.gz	LVFYKQNKFKZZPZ-LJQANCHMSA-N	2	1	360.929	4.628	10	0		FJAEMP
Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)o1	ZINC000012003258	570604235	/nfs/dbraw/zinc/60/42/35/570604235.db2.gz	LVFYKQNKFKZZPZ-LJQANCHMSA-N	2	1	360.929	4.628	10	0		FJAEMP
CCCC[NH+](CCCC)CCC[NH2+]Cc1cccc(Br)c1	ZINC000013733517	220090643	/nfs/dbraw/zinc/09/06/43/220090643.db2.gz	KBBQQTSSKNDOSV-UHFFFAOYSA-N	2	1	355.364	4.831	10	0		FJAEMP
c1ccc2c(c1)CC[NH+](CC1CCC(C[N@H+]3CCc4ccccc4C3)CC1)C2	ZINC000006117228	204238564	/nfs/dbraw/zinc/23/85/64/204238564.db2.gz	QVJDYTCZGGJPMQ-UHFFFAOYSA-N	2	1	374.572	4.909	10	0		FJAEMP
C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@H]4CC[C@@]23C[N@H+]1C	ZINC000004349851	807304423	/nfs/dbraw/zinc/30/44/23/807304423.db2.gz	GPLGAQQQNWMVMM-NXUUAMCPSA-N	2	1	356.598	4.810	10	0		FJAEMP
Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)C2CCC2)CC1	ZINC000012195119	211399328	/nfs/dbraw/zinc/39/93/28/211399328.db2.gz	YSGSRDMVYPXUEK-UHFFFAOYSA-N	2	1	363.549	4.657	10	0		FJAEMP
CC[NH+](CC)CCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1	ZINC000013734224	211056304	/nfs/dbraw/zinc/05/63/04/211056304.db2.gz	FGSYQDYAHLUOJG-UHFFFAOYSA-N	2	1	360.929	4.741	10	0		FJAEMP
Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)o1	ZINC000012003255	570604088	/nfs/dbraw/zinc/60/40/88/570604088.db2.gz	LVFYKQNKFKZZPZ-IBGZPJMESA-N	2	1	360.929	4.628	10	0		FJAEMP
Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)o1	ZINC000012003255	570604094	/nfs/dbraw/zinc/60/40/94/570604094.db2.gz	LVFYKQNKFKZZPZ-IBGZPJMESA-N	2	1	360.929	4.628	10	0		FJAEMP
Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1	ZINC000012003255	570604098	/nfs/dbraw/zinc/60/40/98/570604098.db2.gz	LVFYKQNKFKZZPZ-IBGZPJMESA-N	2	1	360.929	4.628	10	0		FJAEMP
Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)o1	ZINC000012003255	570604102	/nfs/dbraw/zinc/60/41/02/570604102.db2.gz	LVFYKQNKFKZZPZ-IBGZPJMESA-N	2	1	360.929	4.628	10	0		FJAEMP
CCCC[NH+](CCCC)CCC[NH2+]Cc1cccc(Oc2ncccn2)c1	ZINC000013734073	220090629	/nfs/dbraw/zinc/09/06/29/220090629.db2.gz	QXVYKXDMLVVSMU-UHFFFAOYSA-N	2	1	370.541	4.651	10	0		FJAEMP
CCCC[NH+](CCCC)CCC[NH2+]Cc1ccc(Br)cc1	ZINC000013733381	220090720	/nfs/dbraw/zinc/09/07/20/220090720.db2.gz	ZADPJLMCNFRJCT-UHFFFAOYSA-N	2	1	355.364	4.831	10	0		FJAEMP
CCCC[NH+](CCCC)CCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1	ZINC000013733710	220091055	/nfs/dbraw/zinc/09/10/55/220091055.db2.gz	IKXDEESJDLEKGB-UHFFFAOYSA-N	2	1	370.965	4.739	10	0		FJAEMP
CC[NH+](CC)CCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1	ZINC000013734677	220091463	/nfs/dbraw/zinc/09/14/63/220091463.db2.gz	FFZZTLDSRGFVMW-UHFFFAOYSA-N	2	1	360.929	4.741	10	0		FJAEMP