smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2sc(-c3ccc([O-])c(Cl)c3)nc2c1	ZINC000037205974	333513685	/nfs/dbraw/zinc/51/36/85/333513685.db2.gz	OAJQQFAZFODSMX-UHFFFAOYSA-N	-1	0	275.760	4.631	20	0		CJADRM
Cc1c(NCc2csc3ccccc23)cccc1C(=O)[O-]	ZINC000054463434	328693438	/nfs/dbraw/zinc/69/34/38/328693438.db2.gz	BGDLCSPBXVWQLK-UHFFFAOYSA-N	-1	0	297.379	4.520	20	0		CJADRM
Cc1c2ccccc2nc(C(=O)[O-])c1-c1cccc(Cl)c1	ZINC000515570927	330479906	/nfs/dbraw/zinc/47/99/06/330479906.db2.gz	QMIGQCZRLWBSGT-UHFFFAOYSA-N	-1	0	297.741	4.562	20	0		CJADRM
CC[C@H](CC1CCCC1)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000522975860	333302496	/nfs/dbraw/zinc/30/24/96/333302496.db2.gz	SLRXFYOZADPYRW-GFCCVEGCSA-N	-1	0	295.810	4.591	20	0		CJADRM
CC[C@@H](CC1CCCC1)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000522975861	333302571	/nfs/dbraw/zinc/30/25/71/333302571.db2.gz	SLRXFYOZADPYRW-LBPRGKRZSA-N	-1	0	295.810	4.591	20	0		CJADRM
Cc1ccc(NCc2csc3ccccc23)cc1C(=O)[O-]	ZINC000551055885	334237348	/nfs/dbraw/zinc/23/73/48/334237348.db2.gz	WHXGKQRPJYYERO-UHFFFAOYSA-N	-1	0	297.379	4.520	20	0		CJADRM
CC(C)(C)CC(=O)c1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000563888770	328551449	/nfs/dbraw/zinc/55/14/49/328551449.db2.gz	KZBGRYZLDWNIJW-UHFFFAOYSA-N	-1	0	296.366	4.671	20	0		CJADRM
O=C([O-])c1ccccc1-c1ccc2c(c1)Cc1ccccc1-2	ZINC000571288367	328098452	/nfs/dbraw/zinc/09/84/52/328098452.db2.gz	ZAMBILZHQNMYGL-UHFFFAOYSA-N	-1	0	286.330	4.623	20	0		CJADRM
Cc1cc2cc(-c3ccccc3C(=O)[O-])ccc2s1	ZINC000574760296	335045545	/nfs/dbraw/zinc/04/55/45/335045545.db2.gz	ZTCFOEJEZYUACC-UHFFFAOYSA-N	-1	0	268.337	4.575	20	0		CJADRM
Cc1c(NCc2cc3ccccc3s2)cccc1C(=O)[O-]	ZINC000582656641	329125818	/nfs/dbraw/zinc/12/58/18/329125818.db2.gz	JPZQPFUOIYTLHY-UHFFFAOYSA-N	-1	0	297.379	4.520	20	0		CJADRM
O=C([O-])c1ccccc1-c1cccc(Nc2ccccc2)c1	ZINC000584175001	327058421	/nfs/dbraw/zinc/05/84/21/327058421.db2.gz	DVIREHQMHYSIOT-UHFFFAOYSA-N	-1	0	289.334	4.795	20	0		CJADRM