smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c2c(nc(N)[n-]c2=O)n(CCCCCCCC)c1=O	ZINC000043871882	183388605	/nfs/dbraw/zinc/38/86/05/183388605.db2.gz	BPGBXIWNXCGRFG-UHFFFAOYSA-N	-1	1	319.409	2.015	1	30		DEEFMM
C[C@H]1CCC(N=Nc2cccc(C(=O)[O-])c2)c2nccc(=O)n21	ZINC000040466179	183072473	/nfs/dbraw/zinc/07/24/73/183072473.db2.gz	JBHXFKLGYZERBR-AUXBAGKGSA-N	-1	1	312.329	2.113	1	30		DEEFMM
O=C1[N-]C(=O)N(N=Cc2ccc(-c3ccc(F)cc3)o2)[C@H]1O	ZINC000038796605	183010603	/nfs/dbraw/zinc/01/06/03/183010603.db2.gz	NJJHXFCHUUJRIV-HFVKVNHUSA-N	-1	1	303.249	2.130	1	30		DEEFMM
O=C(CC[C@@H](c1cccc2ccccc21)[P@](=O)([O-])O)NO	ZINC000072118473	191039074	/nfs/dbraw/zinc/03/90/74/191039074.db2.gz	WYYRVHTYXGOYQJ-ZDUSSCGKSA-N	-1	1	309.258	2.344	1	30		DEEFMM
COC1=C([O-])C(=O)c2c(O)c3c(cc2C1=O)C[C@@H](C)O[C@H]3C	ZINC000014827860	560226978	/nfs/dbraw/zinc/22/69/78/560226978.db2.gz	VWHXRHUUNCIKQF-RQJHMYQMSA-N	-1	1	304.298	2.209	1	30	biogenic,in-vitro	DEEFMM
O=C(CC[C@H](c1cccc2ccccc21)[P@](=O)([O-])O)NO	ZINC000072118472	191038554	/nfs/dbraw/zinc/03/85/54/191038554.db2.gz	WYYRVHTYXGOYQJ-CYBMUJFWSA-N	-1	1	309.258	2.344	1	30		DEEFMM
O=C1[N-]C(=O)N(N=Cc2ccc(-c3ccc(F)cc3)o2)[C@@H]1O	ZINC000038796603	183010390	/nfs/dbraw/zinc/01/03/90/183010390.db2.gz	NJJHXFCHUUJRIV-DFWYYUMKSA-N	-1	1	303.249	2.130	1	30		DEEFMM
C[C@@H]1CCC(=NNc2ccc(C(=O)[O-])cc2)c2nccc(=O)n21	ZINC000040466744	183072604	/nfs/dbraw/zinc/07/26/04/183072604.db2.gz	MREMOZLONIDWGX-MUSWWTGGSA-N	-1	1	312.329	2.113	1	30		DEEFMM
C[C@H]1CCC(=NNc2ccc(C(=O)[O-])cc2)c2nccc(=O)n21	ZINC000040466745	183072809	/nfs/dbraw/zinc/07/28/09/183072809.db2.gz	MREMOZLONIDWGX-AUXBAGKGSA-N	-1	1	312.329	2.113	1	30		DEEFMM
O=C1C(=O)C(c2ccc(O)c(O)c2)Cc2cc([O-])cc(O)c21	ZINC000095486352	560061504	/nfs/dbraw/zinc/06/15/04/560061504.db2.gz	UMXYMLMBQKTCNB-UHFFFAOYSA-N	-1	1	300.266	2.217	1	30	biogenic,in-vitro	DEEFMM
C[C@@H](Nc1c(Nc2ccc(C#N)c([O-])c2)c(=O)c1=O)C(C)(C)C	ZINC000028225190	182512346	/nfs/dbraw/zinc/51/23/46/182512346.db2.gz	NHNNPBKFKYQOIH-BARMFCDJSA-N	-1	1	313.357	2.118	1	30		DEEFMM
C=CCOc1ccccc1-c1ncc(C(=O)OCC)c(=O)[n-]1	ZINC000039243752	183015465	/nfs/dbraw/zinc/01/54/65/183015465.db2.gz	IZSAXSKPGGVDKQ-UHFFFAOYSA-N	-1	1	300.314	2.178	1	30		DEEFMM
C[C@@H]1CCC(N=Nc2cccc(C(=O)[O-])c2)c2nccc(=O)n21	ZINC000040466178	183072322	/nfs/dbraw/zinc/07/23/22/183072322.db2.gz	JBHXFKLGYZERBR-MUSWWTGGSA-N	-1	1	312.329	2.113	1	30		DEEFMM
O=C(/C=C/c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)NO	ZINC000003873252	181050879	/nfs/dbraw/zinc/05/08/79/181050879.db2.gz	XPHVJIKSPLGZRT-DHZHZOJOSA-N	-1	1	318.354	2.006	1	30		DEEFMM
CC(C)N(O)C(=O)CC[C@H](c1ccccc1)[P@](=O)([O-])O	ZINC000072114543	191037930	/nfs/dbraw/zinc/03/79/30/191037930.db2.gz	ULKRMQONVHFLKU-GFCCVEGCSA-N	-1	1	301.279	2.312	1	30		DEEFMM
Cc1cc([N-]c2nc(C#N)cn3c(-c4cn[nH]c4)cnc23)sn1	ZINC000072109721	191037519	/nfs/dbraw/zinc/03/75/19/191037519.db2.gz	UCKMYULEGLLJLE-UHFFFAOYSA-N	-1	1	322.357	2.500	1	30		DEEFMM
Cc1cc(=O)[n-]c(NN=Cc2ccc(Br)s2)n1	ZINC000013132904	278623484	/nfs/dbraw/zinc/62/34/84/278623484.db2.gz	FEGSLDKUUMSUKO-XGICHPGQSA-N	-1	1	313.180	2.348	1	30		DEEFMM
N#Cc1c2n[n-]c(=S)n2c(=S)[nH]c1-c1ccc(F)cc1	ZINC000096932749	185392564	/nfs/dbraw/zinc/39/25/64/185392564.db2.gz	UYIHRLBHYFZWAK-UHFFFAOYSA-N	-1	1	303.347	2.379	1	30		DEEFMM