smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C(=O)[O-])n1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21	ZINC000033387109	570645291	/nfs/dbraw/zinc/64/52/91/570645291.db2.gz	GZLUXQKKPAEGDS-MFVBVHDHSA-N	-2	1	375.384	2.748	40	10		GFCBML
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059679385	570660931	/nfs/dbraw/zinc/66/09/31/570660931.db2.gz	PMBZKXLMUJPJSY-VGOFMYFVSA-N	-3	1	386.385	2.814	40	10		GFCBML
Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000103795047	231014725	/nfs/dbraw/zinc/01/47/25/231014725.db2.gz	LQKDDMMJANJRQR-MKMNVTDBSA-N	-2	1	375.837	2.791	40	10		GFCBML
CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000408914549	530039722	/nfs/dbraw/zinc/03/97/22/530039722.db2.gz	QOYZSQZPFGDRFQ-XFFZJAGNSA-N	-2	1	390.804	2.555	40	10		GFCBML
CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000012412859	207306448	/nfs/dbraw/zinc/30/64/48/207306448.db2.gz	APTWCZFXQQUWJY-XFFZJAGNSA-N	-2	1	398.766	2.617	40	10		GFCBML
Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408950641	231133709	/nfs/dbraw/zinc/13/37/09/231133709.db2.gz	UBGNKQWSTOQFKX-MKMNVTDBSA-N	-2	1	375.837	2.791	40	10		GFCBML
CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)[N-]C1=S	ZINC000409391224	528943568	/nfs/dbraw/zinc/94/35/68/528943568.db2.gz	IBBJOVOTWZFMMY-NTEUORMPSA-N	-2	1	384.413	2.600	40	10		GFCBML
CN(C)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1Br	ZINC000409349721	529775139	/nfs/dbraw/zinc/77/51/39/529775139.db2.gz	VZQOMEDJHCUBDX-GQCTYLIASA-N	-2	1	381.186	2.795	40	10		GFCBML
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000408935039	570686882	/nfs/dbraw/zinc/68/68/82/570686882.db2.gz	CBSGWNZJMFHKPL-KPKJPENVSA-N	-2	1	387.735	2.620	40	10		GFCBML
CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)[N-]C1=S	ZINC000409391534	528943665	/nfs/dbraw/zinc/94/36/65/528943665.db2.gz	JMVOVDSZQAKSJZ-NTEUORMPSA-N	-2	1	384.413	2.600	40	10		GFCBML
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3\SC(=S)[N-]C3=O)o2)c1	ZINC000035668725	570542435	/nfs/dbraw/zinc/54/24/35/570542435.db2.gz	HQZOBEXIKAKIJV-SDQBBNPISA-N	-3	1	375.383	2.832	40	10		GFCBML