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)CCCn1c(C[NH2+]C)nc2ccc(Cl)cc21	ZINC000040406652	205069484	/nfs/dbraw/zinc/06/94/84/205069484.db2.gz	KUYIUEKTRBKUCT-UHFFFAOYSA-N	2	0	364.965	4.701	10	0		FJAERP
c1ccc2c(c1)CC[NH+](CC1CCC(C[N@@H+]3CCc4ccccc4C3)CC1)C2	ZINC000006117228	204238560	/nfs/dbraw/zinc/23/85/60/204238560.db2.gz	QVJDYTCZGGJPMQ-UHFFFAOYSA-N	2	0	374.572	4.909	10	0		FJAERP
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	807304414	/nfs/dbraw/zinc/30/44/14/807304414.db2.gz	GPLGAQQQNWMVMM-NXUUAMCPSA-N	2	0	356.598	4.810	10	0		FJAERP
Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)C2CCC2)CC1	ZINC000012195119	211399324	/nfs/dbraw/zinc/39/93/24/211399324.db2.gz	YSGSRDMVYPXUEK-UHFFFAOYSA-N	2	0	363.549	4.657	10	0		FJAERP
CC[C@@H](C)[C@](C[NH3+])(CCCC[NH+]1CCOCC1)c1cccc2ccccc21	ZINC000005064567	210228384	/nfs/dbraw/zinc/22/83/84/210228384.db2.gz	BTBBPAFAMRXQSL-HYBUGGRVSA-N	2	0	368.565	4.585	10	0		FJAERP
CC[C@H](C)[C@@](C[NH3+])(CCCC[NH+]1CCOCC1)c1cccc2ccccc21	ZINC000005064570	210228875	/nfs/dbraw/zinc/22/88/75/210228875.db2.gz	BTBBPAFAMRXQSL-RDPSFJRHSA-N	2	0	368.565	4.585	10	0		FJAERP
CC[C@H](C)[C@](C[NH3+])(CCCC[NH+]1CCOCC1)c1cccc2ccccc21	ZINC000005064568	219647845	/nfs/dbraw/zinc/64/78/45/219647845.db2.gz	BTBBPAFAMRXQSL-GBXCKJPGSA-N	2	0	368.565	4.585	10	0		FJAERP
CC[C@@H](C)[C@@](C[NH3+])(CCCC[NH+]1CCOCC1)c1cccc2ccccc21	ZINC000005064569	206800482	/nfs/dbraw/zinc/80/04/82/206800482.db2.gz	BTBBPAFAMRXQSL-YKSBVNFPSA-N	2	0	368.565	4.585	10	0		FJAERP
CC[NH+](CC)CCNc1cc(N2CCCCC2)[nH+]c2ccc(Cl)cc12	ZINC000253495224	535543170	/nfs/dbraw/zinc/54/31/70/535543170.db2.gz	MNADHTBHTHBFOZ-UHFFFAOYSA-N	2	0	360.933	4.632	10	0		FJAERP
CCCC[NH+](CCCC)CCCn1c(C[NH2+]C)nc2cc(Cl)ccc21	ZINC000040406649	208252467	/nfs/dbraw/zinc/25/24/67/208252467.db2.gz	HUGAGTUUXKRGBO-UHFFFAOYSA-N	2	0	364.965	4.701	10	0		FJAERP
Cc1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(C)cc4)c3)c2)cc1	ZINC000013837733	220096458	/nfs/dbraw/zinc/09/64/58/220096458.db2.gz	XEIXTPYXYWMEOA-UHFFFAOYSA-N	2	0	366.508	4.642	10	0		FJAERP