smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(CNCc1ccc(F)cc1)OC	ZINC000035940221	357330864	/nfs/dbraw/zinc/33/08/64/357330864.db2.gz	HKLYXRIMOHSPQP-UHFFFAOYSA-N	0	1	213.252	1.534	30	0		BDACMN
O=C([O-])[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1	ZINC000004298587	342746180	/nfs/dbraw/zinc/74/61/80/342746180.db2.gz	BLEWGVDWVGFJNY-QWHCGFSZSA-N	0	1	249.310	1.517	30	0		BDACMN
CCn1ccnc1CNC[C@H]1CCCO1	ZINC000004243942	172224327	/nfs/dbraw/zinc/22/43/27/172224327.db2.gz	HVYPFQLVJLDJGO-SNVBAGLBSA-N	0	1	209.293	1.172	30	0		BDACMN
CCn1ccnc1CNC[C@@H]1CCCO1	ZINC000004243941	172223494	/nfs/dbraw/zinc/22/34/94/172223494.db2.gz	HVYPFQLVJLDJGO-JTQLQIEISA-N	0	1	209.293	1.172	30	0		BDACMN
CCCn1ccnc1CNC[C@H]1CCCO1	ZINC000004243949	384049750	/nfs/dbraw/zinc/04/97/50/384049750.db2.gz	MCFFKIVBRRZGNS-LLVKDONJSA-N	0	1	223.320	1.562	30	0		BDACMN
CCCn1ccnc1CNC[C@@H]1CCCO1	ZINC000004243947	188101734	/nfs/dbraw/zinc/10/17/34/188101734.db2.gz	MCFFKIVBRRZGNS-NSHDSACASA-N	0	1	223.320	1.562	30	0		BDACMN
O=C([O-])[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1	ZINC000015442029	342896295	/nfs/dbraw/zinc/89/62/95/342896295.db2.gz	BLEWGVDWVGFJNY-CHWSQXEVSA-N	0	1	249.310	1.517	30	0		BDACMN
C[C@@H]1CN(C2CCC(=O)CC2)C[C@H](C)O1	ZINC000036532670	177242822	/nfs/dbraw/zinc/24/28/22/177242822.db2.gz	RRJKRACMYODCBJ-AOOOYVTPSA-N	0	1	211.305	1.607	30	0		BDACMN
O=C([O-])[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1	ZINC000004298588	342746221	/nfs/dbraw/zinc/74/62/21/342746221.db2.gz	BLEWGVDWVGFJNY-STQMWFEESA-N	0	1	249.310	1.517	30	0		BDACMN
Nc1ccc(O[C@@H]2CN3CCC2CC3)c(F)c1	ZINC000020352241	363147084	/nfs/dbraw/zinc/14/70/84/363147084.db2.gz	GDYFVLPXHUHZCD-CYBMUJFWSA-N	0	1	236.290	1.881	30	0		BDACMN
Nc1ccc(O[C@H]2CN3CCC2CC3)c(F)c1	ZINC000020352242	363147419	/nfs/dbraw/zinc/14/74/19/363147419.db2.gz	GDYFVLPXHUHZCD-ZDUSSCGKSA-N	0	1	236.290	1.881	30	0		BDACMN
CCCCn1ccnc1CNCCOC	ZINC000004243966	169036096	/nfs/dbraw/zinc/03/60/96/169036096.db2.gz	FSPTYPCSPFPQFB-UHFFFAOYSA-N	0	1	211.309	1.419	30	0		BDACMN
O=C([O-])[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1	ZINC000015442028	342896439	/nfs/dbraw/zinc/89/64/39/342896439.db2.gz	BLEWGVDWVGFJNY-OLZOCXBDSA-N	0	1	249.310	1.517	30	0		BDACMN