smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC#CCOc1ccc(S(=O)(=O)N2CC[N@@H+](CC)CC[C@H]2C(=O)NO)cc1	ZINC000028334653	209179741	/nfs/dbraw/zinc/17/97/41/209179741.db2.gz	KJFHTZIVTSKATM-KRWDZBQOSA-N	1	1	395.481	0.679	1	30		GCEFMO
CC#CCOc1ccc(S(=O)(=O)N2CC[N@H+](CC)CC[C@H]2C(=O)NO)cc1	ZINC000028334653	209179735	/nfs/dbraw/zinc/17/97/35/209179735.db2.gz	KJFHTZIVTSKATM-KRWDZBQOSA-N	1	1	395.481	0.679	1	30		GCEFMO
CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCCC[NH+]1CCOCC1	ZINC000072323517	211090403	/nfs/dbraw/zinc/09/04/03/211090403.db2.gz	QIXVCNLUECIAOF-UHFFFAOYSA-N	1	1	399.451	0.923	2	30		GCEFMO
NC(=[NH2+])Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(N)=O)cc21	ZINC000014960831	221320736	/nfs/dbraw/zinc/32/07/36/221320736.db2.gz	NMLXXSFWQSUYTC-GFCCVEGCSA-N	1	1	396.860	0.432	1	30		GCEFMO
C/C(=N\NC(=S)NNC(=S)NCCC[NH+]1CCOCC1)c1ccccn1	ZINC000013650653	206294750	/nfs/dbraw/zinc/29/47/50/206294750.db2.gz	CGLSZRRCBCJYEA-CPNJWEJPSA-N	1	1	395.558	0.371	1	30		GCEFMO
CC[NH2+][C@H]1C[C@H](C)S(=O)(=O)c2sc(S(=O)(=O)[N-]C(=O)C[NH2+]C)cc21	ZINC000027199197	207323918	/nfs/dbraw/zinc/32/39/18/207323918.db2.gz	LDZKSFIAAKAVTR-WPRPVWTQSA-N	1	1	395.528	0.829	1	30		GCEFMO
CC[NH2+][C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(=O)(=O)[N-]C(=O)C[NH2+]C)cc21	ZINC000027199181	207323956	/nfs/dbraw/zinc/32/39/56/207323956.db2.gz	LDZKSFIAAKAVTR-PSASIEDQSA-N	1	1	395.528	0.829	1	30		GCEFMO
Cc1ncn(-c2ccc(C[N@@H+]3C[C@H](N)[C@H](C(=O)N4CCC[C@H]4C#N)C3)cc2)n1	ZINC000028955098	207351326	/nfs/dbraw/zinc/35/13/26/207351326.db2.gz	GKLKDWYNLKARAH-OTWHNJEPSA-N	1	1	379.468	0.849	1	30		GCEFMO
Cc1ncn(-c2ccc(C[N@H+]3C[C@H](N)[C@H](C(=O)N4CCC[C@H]4C#N)C3)cc2)n1	ZINC000028955098	207351330	/nfs/dbraw/zinc/35/13/30/207351330.db2.gz	GKLKDWYNLKARAH-OTWHNJEPSA-N	1	1	379.468	0.849	1	30		GCEFMO
CCOC(=O)c1ccc(NN=C(C(N)=S)C(=O)N2CC[NH+](C)CC2)cc1	ZINC000025174062	570739738	/nfs/dbraw/zinc/73/97/38/570739738.db2.gz	YXUJTGJEVVHSRU-ZHZULCJRSA-N	1	1	377.470	0.691	2	30		GCEFMO
CC#CCOc1ccc(S(=O)(=O)N2CC[N@H+](CC)CC[C@@H]2C(=O)NO)cc1	ZINC000028334660	206255133	/nfs/dbraw/zinc/25/51/33/206255133.db2.gz	KJFHTZIVTSKATM-QGZVFWFLSA-N	1	1	395.481	0.679	1	30		GCEFMO
CC#CCOc1ccc(S(=O)(=O)N2CC[N@@H+](CC)CC[C@@H]2C(=O)NO)cc1	ZINC000028334660	206255136	/nfs/dbraw/zinc/25/51/36/206255136.db2.gz	KJFHTZIVTSKATM-QGZVFWFLSA-N	1	1	395.481	0.679	1	30		GCEFMO
CC#CCOc1ccc(S(=O)(=O)N2CC[N@H+](C)CC[C@@H]2C(=O)NO)cc1	ZINC000028334644	206255440	/nfs/dbraw/zinc/25/54/40/206255440.db2.gz	UNINFAIJOLFFHN-MRXNPFEDSA-N	1	1	381.454	0.289	1	30		GCEFMO
CC#CCOc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC[C@@H]2C(=O)NO)cc1	ZINC000028334644	206255441	/nfs/dbraw/zinc/25/54/41/206255441.db2.gz	UNINFAIJOLFFHN-MRXNPFEDSA-N	1	1	381.454	0.289	1	30		GCEFMO