smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c2ccccc2c(O)c([C@@]2(C)N=NC(NN)N2)c1=O	ZINC000104807787	392499694	/nfs/dbraw/zinc/49/96/94/392499694.db2.gz	MGJOMPDTLJCPQF-CQSZACIVSA-N	0	2	302.338	-0.173	40	30		DBEBLN
Cc1ccc2[nH]c(=O)c(C=NC(CO)(CO)CO)c(O)c2c1	ZINC000009703574	382508879	/nfs/dbraw/zinc/50/88/79/382508879.db2.gz	GWWQMCDVVFOEEW-FZSIALSZSA-N	0	2	306.318	-0.323	40	30		DBEBLN
CCn1c2ccccc2c(O)c([C@]2(C)N=NC(NN)N2)c1=O	ZINC000104807789	256580445	/nfs/dbraw/zinc/58/04/45/256580445.db2.gz	MGJOMPDTLJCPQF-AWEZNQCLSA-N	0	2	302.338	-0.173	40	30		DBEBLN
Cc1c(C#N)c(=O)n(CCCO)c(O)c1CN1CCOCC1	ZINC000006796120	181390731	/nfs/dbraw/zinc/39/07/31/181390731.db2.gz	JLDCYYYLTRIWDC-UHFFFAOYSA-N	0	2	307.350	-0.051	40	30		DBEBLN
Cc1c(C#N)c(=O)n(CCCO)c([O-])c1C[NH+]1CCOCC1	ZINC000006796120	181390733	/nfs/dbraw/zinc/39/07/33/181390733.db2.gz	JLDCYYYLTRIWDC-UHFFFAOYSA-N	0	2	307.350	-0.051	40	30		DBEBLN