smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]cnc2c1nc(-c1ccc(Cl)cc1Cl)n2-c1ccc(Cl)cc1	ZINC000090487652	209236526	/nfs/dbraw/zinc/23/65/26/209236526.db2.gz	OMWNHSMRUOTAJC-UHFFFAOYSA-N	-1	3	391.645	4.736	10	0		GJAEHM
Nc1c([N-]c2nccs2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000040780909	205073214	/nfs/dbraw/zinc/07/32/14/205073214.db2.gz	KCPIYYCYIKTFGF-UHFFFAOYSA-N	-1	3	386.790	4.675	10	0		GJAEHM
COc1ccc(/C=C\c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)cc1O	ZINC000038184397	205035732	/nfs/dbraw/zinc/03/57/32/205035732.db2.gz	NEAVUHJEMWILNJ-OWBHPGMISA-N	-1	3	385.423	4.525	10	0		GJAEHM
O=C([N-]c1c(F)cccc1F)c1cc(Br)c(Br)s1	ZINC000045829257	205097953	/nfs/dbraw/zinc/09/79/53/205097953.db2.gz	DFDQVVIGRZJXNO-UHFFFAOYSA-N	-1	3	397.038	4.804	10	0		GJAEHM
Cc1nc([N-]c2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)sc1C	ZINC000040783120	205072425	/nfs/dbraw/zinc/07/24/25/205072425.db2.gz	XLUHPNMJBBCGHG-UHFFFAOYSA-N	-1	3	375.885	4.938	10	0		GJAEHM
COc1cc(C(=O)O[C@H]2CC(C)=CCC/C(C)=C/[C@H](O)[C@@H]2C(C)C)ccc1[O-]	ZINC000582764818	570420932	/nfs/dbraw/zinc/42/09/32/570420932.db2.gz	OLJDCWYDXLXFJK-CXBJLCOZSA-N	-1	3	388.504	4.636	10	0		GJAEHM
COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1	ZINC000015868416	210178632	/nfs/dbraw/zinc/17/86/32/210178632.db2.gz	ZVJRDWRDKBKPIY-UHFFFAOYSA-N	-1	3	396.443	4.783	10	0		GJAEHM
[O-]c1csc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)n1	ZINC000072414867	222258209	/nfs/dbraw/zinc/25/82/09/222258209.db2.gz	SUNYHTNCCXSBQC-MRXNPFEDSA-N	-1	3	390.295	4.774	10	0		GJAEHM
O=c1[nH]c2cc(Cl)c(Cl)cc2nc1C=C([O-])c1cccc2ccccc21	ZINC000004641257	570389040	/nfs/dbraw/zinc/38/90/40/570389040.db2.gz	KCULWMHAYYJFCC-UHFFFAOYSA-N	-1	3	383.234	4.809	10	0		GJAEHM
[O-]c1ccc(C(F)(F)F)cc1NC(=S)Nc1cc(C(F)(F)F)ccc1O	ZINC000504500239	231323038	/nfs/dbraw/zinc/32/30/38/231323038.db2.gz	SFTMBGFCXLJJGQ-UHFFFAOYSA-N	-1	3	396.312	4.944	10	0		GJAEHM
Cc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2ccccc2n1	ZINC000003788826	206293882	/nfs/dbraw/zinc/29/38/82/206293882.db2.gz	QDJMXUYLLXTIHJ-UHFFFAOYSA-N	-1	3	393.450	4.969	10	0		GJAEHM
Cc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2ccccc2n1	ZINC000003788826	206293885	/nfs/dbraw/zinc/29/38/85/206293885.db2.gz	QDJMXUYLLXTIHJ-UHFFFAOYSA-N	-1	3	393.450	4.969	10	0		GJAEHM
[O-]c1csc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)n1	ZINC000072414866	222257691	/nfs/dbraw/zinc/25/76/91/222257691.db2.gz	SUNYHTNCCXSBQC-INIZCTEOSA-N	-1	3	390.295	4.774	10	0		GJAEHM
COC(=O)c1cc([O-])c2ccc(OCc3ccccc3)c(Br)c2c1	ZINC000095937712	208240388	/nfs/dbraw/zinc/24/03/88/208240388.db2.gz	NLSQXLVYGGIPRR-UHFFFAOYSA-N	-1	3	387.229	4.674	10	0		GJAEHM
[O-]c1cc(O)ccc1-c1nn(-c2ccc(Br)cc2)c2cc(O)ccc21	ZINC000003948711	212145414	/nfs/dbraw/zinc/14/54/14/212145414.db2.gz	OTLCACUJYLHSSZ-UHFFFAOYSA-N	-1	3	397.228	4.572	10	0		GJAEHM
Cc1c(CNCc2ccc(C)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1	ZINC000006806749	570607444	/nfs/dbraw/zinc/60/74/44/570607444.db2.gz	JAWIUECQBICLRA-UHFFFAOYSA-N	-1	3	380.463	4.589	10	0		GJAEHM