smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccnc1N[N-]C(=O)C(F)(F)c1ccc(Cl)cc1	ZINC001595262297	949685247	/nfs/dbraw/zinc/68/52/47/949685247.db2.gz	XRSOSNCJZBUJGG-UHFFFAOYSA-N	-2	1	341.701	2.668	20	50		EFGDML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(CCCl)cc1	ZINC000315011739	963843248	/nfs/dbraw/zinc/84/32/48/963843248.db2.gz	DNJREEJUEFZXLD-UHFFFAOYSA-N	-2	1	339.800	2.967	20	50		EFGDML
CC(=NNC(=O)c1cc(Cl)ccc1[O-])c1cc(C(=O)[O-])cs1	ZINC000814777712	978883788	/nfs/dbraw/zinc/88/37/88/978883788.db2.gz	ZCZHPLZTKPBLFM-UHFFFAOYSA-N	-2	1	338.772	2.959	20	50		EFGDML
Cc1csc(C(=O)[N-]NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1	ZINC001594436048	959233591	/nfs/dbraw/zinc/23/35/91/959233591.db2.gz	SDXSCEHUBWKSFX-UHFFFAOYSA-N	-2	1	347.396	2.540	20	50		EFGDML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc(CCl)c1	ZINC000314595838	963775400	/nfs/dbraw/zinc/77/54/00/963775400.db2.gz	RJGIQLJZNJIROC-UHFFFAOYSA-N	-2	1	325.773	2.924	20	50		EFGDML
CC(=NNC(=O)c1cc(Cl)ccc1[O-])c1ccc(C(=O)[O-])cc1	ZINC000825804238	978941480	/nfs/dbraw/zinc/94/14/80/978941480.db2.gz	BIMXOGZJZWMYJM-UHFFFAOYSA-N	-2	1	332.743	2.898	20	50		EFGDML
N#CC(=Cc1ccc([O-])c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826379509	1430200609	/nfs/dbraw/zinc/20/06/09/1430200609.db2.gz	UESWXMOVKKMWTH-MLPAPPSSSA-N	-2	1	335.298	2.501	20	50		EFGDML
CC(C)(CC(=O)[O-])CC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC000833454100	605106261	/nfs/dbraw/zinc/10/62/61/605106261.db2.gz	BYZWRMASJHIJAW-UHFFFAOYSA-N	-2	1	347.198	2.645	20	50		EFGDML
CC(C)c1csc([N-]C(=O)NNc2ccc(-c3nnn[n-]3)cc2)n1	ZINC000824352992	1427153495	/nfs/dbraw/zinc/15/34/95/1427153495.db2.gz	SOJMUDLXDTWBFE-UHFFFAOYSA-N	-2	1	344.404	2.595	20	50		EFGDML
CC(C)c1csc([N-]C(=O)NNc2ccc(-c3nn[n-]n3)cc2)n1	ZINC000824352992	1427153501	/nfs/dbraw/zinc/15/35/01/1427153501.db2.gz	SOJMUDLXDTWBFE-UHFFFAOYSA-N	-2	1	344.404	2.595	20	50		EFGDML
O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cccc(CCl)c1	ZINC001595138127	952067262	/nfs/dbraw/zinc/06/72/62/952067262.db2.gz	RVCZHPHODAGKKV-UHFFFAOYSA-N	-2	1	339.800	2.853	20	50		EFGDML
Cc1csc(C(=O)[N-]NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1	ZINC001605381839	973346070	/nfs/dbraw/zinc/34/60/70/973346070.db2.gz	YFRFTUWJRKQLLW-UHFFFAOYSA-N	-2	1	333.369	2.530	20	50		EFGDML
COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(Cl)ccc1[O-]	ZINC001599376787	998500386	/nfs/dbraw/zinc/50/03/86/998500386.db2.gz	SWLPZTZJGMYDRN-UHFFFAOYSA-N	-2	1	336.731	2.509	20	50		EFGDML
O=C([O-])c1cccnc1N[N-]C(=O)C(F)(F)c1cccc(Cl)c1	ZINC001595262353	949687068	/nfs/dbraw/zinc/68/70/68/949687068.db2.gz	ZUSFWJPLSSKGQG-UHFFFAOYSA-N	-2	1	341.701	2.668	20	50		EFGDML
CCC(CC)(C(=O)[O-])C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC001589475714	954957337	/nfs/dbraw/zinc/95/73/37/954957337.db2.gz	IQIAWYQJMQDZAF-UHFFFAOYSA-N	-2	1	347.198	2.645	20	50		EFGDML
O=C([O-])C1CCC(=NNC(=O)c2cc3ccccc3cc2[O-])CC1	ZINC000814694272	955356608	/nfs/dbraw/zinc/35/66/08/955356608.db2.gz	CKUXMQGRHVWPKL-UHFFFAOYSA-N	-2	1	326.352	2.906	20	50		EFGDML
O=C([O-])c1ccccc1N[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000833783751	605722482	/nfs/dbraw/zinc/72/24/82/605722482.db2.gz	LFHCXUSAWLPESS-UHFFFAOYSA-N	-2	1	342.248	2.898	20	50		EFGDML
Cc1cc([N-]S(=O)(=O)c2ccc(CCCl)cc2)c(C(=O)[O-])[nH]1	ZINC000738463818	978543016	/nfs/dbraw/zinc/54/30/16/978543016.db2.gz	VNWHIBCTNDFGRA-UHFFFAOYSA-N	-2	1	342.804	2.603	20	50		EFGDML