smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc2c(cc1O)oc(C(=O)[O-])c(-c1ccc3c(c1)OCO3)c2=O	ZINC000003071576	204077019	/nfs/dbraw/zinc/07/70/19/204077019.db2.gz	MWMSCGMRPOIBHX-UHFFFAOYSA-N	-1	2	354.314	3.155	10	0		FGAELM
Oc1ccc(Cl)c(F)c1CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000191335459	712834228	/nfs/dbraw/zinc/83/42/28/712834228.db2.gz	PLAHNFJOULUFOE-GOSISDBHSA-N	-1	2	364.848	3.036	10	0		FGAELM
O=C([O-])c1ccc(Br)cc1NS(=O)(=O)c1cccs1	ZINC000037742533	205030835	/nfs/dbraw/zinc/03/08/35/205030835.db2.gz	GJDRIOYGOVILLQ-UHFFFAOYSA-N	-1	2	362.226	3.010	10	0		FGAELM
Oc1ccc(Cl)c(F)c1CN1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000191335473	712834340	/nfs/dbraw/zinc/83/43/40/712834340.db2.gz	PLAHNFJOULUFOE-SFHVURJKSA-N	-1	2	364.848	3.036	10	0		FGAELM
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1c(Cc2cccs2)n[nH]c1=S	ZINC000176074222	705570193	/nfs/dbraw/zinc/57/01/93/705570193.db2.gz	MUZCTPGVZXSAET-CQSZACIVSA-N	-1	2	374.539	3.220	10	0		FGAELM
Cc1ccc(-c2csc3nc(C)nc(N[C@@H](CC(=O)O)C(=O)[O-])c23)cc1	ZINC000096544803	209154607	/nfs/dbraw/zinc/15/46/07/209154607.db2.gz	JNSSMKDATHOSDO-ZDUSSCGKSA-N	-1	2	371.418	3.315	10	0		FGAELM
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1c(Cc2cccs2)n[nH]c1=S	ZINC000176074201	705570642	/nfs/dbraw/zinc/57/06/42/705570642.db2.gz	MUZCTPGVZXSAET-AWEZNQCLSA-N	-1	2	374.539	3.220	10	0		FGAELM
Cc1sc2ncnc(N[C@@H](CC(=O)O)C(=O)[O-])c2c1-c1ccc(C)cc1	ZINC000096544762	222123951	/nfs/dbraw/zinc/12/39/51/222123951.db2.gz	XCYWOZZLUBLPCA-LBPRGKRZSA-N	-1	2	371.418	3.315	10	0		FGAELM
COC(=O)c1ccc(NC(=O)c2c([O-])c(Cl)cc(Cl)c2O)cc1	ZINC000034281596	494065177	/nfs/dbraw/zinc/06/51/77/494065177.db2.gz	ILECMBRLIJZSPK-UHFFFAOYSA-N	-1	2	356.161	3.444	10	0		FGAELM
Cc1sc2nc(C)nc(N[C@@H](CC(=O)O)C(=O)[O-])c2c1-c1ccccc1	ZINC000096544795	222123812	/nfs/dbraw/zinc/12/38/12/222123812.db2.gz	SZNIYPXCNAASKH-LBPRGKRZSA-N	-1	2	371.418	3.315	10	0		FGAELM
O=C([O-])c1cc(Br)ccc1NS(=O)(=O)c1cccs1	ZINC000013342853	494285156	/nfs/dbraw/zinc/28/51/56/494285156.db2.gz	ZIHIQDVRKXRNRS-UHFFFAOYSA-N	-1	2	362.226	3.010	10	0		FGAELM
C[C@]12CC[C@@H]3c4ccc(O[P@@](=O)([O-])O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	ZINC000004683865	560199571	/nfs/dbraw/zinc/19/95/71/560199571.db2.gz	HRGSZQQJTWZVHP-ZBRFXRBCSA-N	-1	2	352.367	3.375	10	0	in-vitro	FGAELM
C[C@]12CC[C@@H]3c4ccc(O[P@](=O)([O-])O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	ZINC000004683865	560199572	/nfs/dbraw/zinc/19/95/72/560199572.db2.gz	HRGSZQQJTWZVHP-ZBRFXRBCSA-N	-1	2	352.367	3.375	10	0	in-vitro	FGAELM
O=C([O-])c1sccc1NS(=O)(=O)c1sccc1Br	ZINC000042524301	208292987	/nfs/dbraw/zinc/29/29/87/208292987.db2.gz	VVOBFXALQHSUHQ-UHFFFAOYSA-N	-1	2	368.255	3.071	10	0		FGAELM
Cc1ccc(-c2csc3nc(C)nc(N[C@H](CC(=O)O)C(=O)[O-])c23)cc1	ZINC000096544804	209154996	/nfs/dbraw/zinc/15/49/96/209154996.db2.gz	JNSSMKDATHOSDO-CYBMUJFWSA-N	-1	2	371.418	3.315	10	0		FGAELM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1c(F)cccc1Cl	ZINC000026173942	581099831	/nfs/dbraw/zinc/09/98/31/581099831.db2.gz	KHHMGBVQNFVSEB-HNNXBMFYSA-N	-1	2	360.772	3.386	10	0		FGAELM
Cc1sc2ncnc(N[C@H](CC(=O)O)C(=O)[O-])c2c1-c1ccc(C)cc1	ZINC000096544763	222123946	/nfs/dbraw/zinc/12/39/46/222123946.db2.gz	XCYWOZZLUBLPCA-GFCCVEGCSA-N	-1	2	371.418	3.315	10	0		FGAELM
O=C([O-])c1ccc(Br)cc1NS(=O)(=O)c1ccccc1F	ZINC000037742540	494107928	/nfs/dbraw/zinc/10/79/28/494107928.db2.gz	IQCLLAVZTFYZQO-UHFFFAOYSA-N	-1	2	374.187	3.087	10	0		FGAELM
O=C([O-])c1cc(Br)ccc1NS(=O)(=O)c1ccccc1F	ZINC000013342889	494285234	/nfs/dbraw/zinc/28/52/34/494285234.db2.gz	OVPIDGFYLSVDBM-UHFFFAOYSA-N	-1	2	374.187	3.087	10	0		FGAELM