smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc[nH+]c1NCC1CC(O)C1	ZINC000160247454	346358740	/nfs/dbraw/zinc/35/87/40/346358740.db2.gz	MMRIMACZEXZCQJ-UHFFFAOYSA-N	1	2	208.261	1.273	10	70		BDIELO
CCn1cc[nH+]c1CS[C@H](C)CO	ZINC000160715211	388086412	/nfs/dbraw/zinc/08/64/12/388086412.db2.gz	SBAJVZVYOXZNDJ-MRVPVSSYSA-N	1	2	200.307	1.517	10	70		BDIELO
COC(C[NH2+][C@@H](C)c1ncc(C)o1)OC	ZINC000218061840	592151373	/nfs/dbraw/zinc/15/13/73/592151373.db2.gz	IVJRYLPTYDTCMR-QMMMGPOBSA-N	1	2	214.265	1.253	10	70		BDIELO
COc1ccc[nH+]c1N[C@H]1CCO[C@@H]1C	ZINC000159467512	538877094	/nfs/dbraw/zinc/87/70/94/538877094.db2.gz	IONDDGLOMUDDKZ-BDAKNGLRSA-N	1	2	208.261	1.680	10	70		BDIELO
Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCCC1)C2	ZINC000161128133	538914591	/nfs/dbraw/zinc/91/45/91/538914591.db2.gz	CGQZUQHGAZDKON-NSHDSACASA-N	1	2	247.342	1.836	10	70		BDIELO
Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCCC1)CC2	ZINC000161128133	538914593	/nfs/dbraw/zinc/91/45/93/538914593.db2.gz	CGQZUQHGAZDKON-NSHDSACASA-N	1	2	247.342	1.836	10	70		BDIELO
COc1ccc[nH+]c1N[C@H]1CCO[C@H]1C	ZINC000159467628	538877439	/nfs/dbraw/zinc/87/74/39/538877439.db2.gz	IONDDGLOMUDDKZ-IUCAKERBSA-N	1	2	208.261	1.680	10	70		BDIELO
C[C@@H]1CC[C@@H](C(=O)Nc2cc[nH+]cc2O)O1	ZINC000159733629	385729720	/nfs/dbraw/zinc/72/97/20/385729720.db2.gz	OOFKNJWQVUEWOW-XCBNKYQSSA-N	1	2	222.244	1.293	10	70		BDIELO
COc1ccc[nH+]c1N[C@@H]1CCO[C@@H]1C	ZINC000159467271	538877283	/nfs/dbraw/zinc/87/72/83/538877283.db2.gz	IONDDGLOMUDDKZ-RKDXNWHRSA-N	1	2	208.261	1.680	10	70		BDIELO
C[C@H]1CC[C@@H](C(=O)Nc2cc[nH+]cc2O)O1	ZINC000159733777	385729174	/nfs/dbraw/zinc/72/91/74/385729174.db2.gz	OOFKNJWQVUEWOW-XVKPBYJWSA-N	1	2	222.244	1.293	10	70		BDIELO
COC(C[NH2+][C@H](C)c1ncc(C)o1)OC	ZINC000218061924	583880408	/nfs/dbraw/zinc/88/04/08/583880408.db2.gz	IVJRYLPTYDTCMR-MRVPVSSYSA-N	1	2	214.265	1.253	10	70		BDIELO
C[C@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2O)O1	ZINC000159733502	385729954	/nfs/dbraw/zinc/72/99/54/385729954.db2.gz	OOFKNJWQVUEWOW-OIBJUYFYSA-N	1	2	222.244	1.293	10	70		BDIELO
COc1ccc[nH+]c1N[C@@H]1CCO[C@H]1C	ZINC000159467421	538877208	/nfs/dbraw/zinc/87/72/08/538877208.db2.gz	IONDDGLOMUDDKZ-DTWKUNHWSA-N	1	2	208.261	1.680	10	70		BDIELO
Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCCC1)C2	ZINC000161128001	538914201	/nfs/dbraw/zinc/91/42/01/538914201.db2.gz	CGQZUQHGAZDKON-LLVKDONJSA-N	1	2	247.342	1.836	10	70		BDIELO
Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCCC1)CC2	ZINC000161128001	538914202	/nfs/dbraw/zinc/91/42/02/538914202.db2.gz	CGQZUQHGAZDKON-LLVKDONJSA-N	1	2	247.342	1.836	10	70		BDIELO
CCn1cc[nH+]c1CS[C@@H](C)CO	ZINC000160715088	388086165	/nfs/dbraw/zinc/08/61/65/388086165.db2.gz	SBAJVZVYOXZNDJ-QMMMGPOBSA-N	1	2	200.307	1.517	10	70		BDIELO