smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc(=O)oc2nc(OCC#CCCCO)[nH]c(=O)c12	ZINC000073224100	191295533	/nfs/dbraw/zinc/29/55/33/191295533.db2.gz	FRYWJUAYSHDIIX-UHFFFAOYSA-N	0	2	304.302	1.006	1	30		DDEFLN
N#Cc1c(-c2ccc(F)cc2)[nH]c(=S)n2c(=O)c(=O)[nH]nc12	ZINC000096932372	185392532	/nfs/dbraw/zinc/39/25/32/185392532.db2.gz	HGYFJIQLSDCBQZ-UHFFFAOYSA-N	0	2	315.289	1.157	1	30		DDEFLN
CCCCCCCCCCNC(=O)[C@H]([NH3+])CO[P@@](=O)([O-])O	ZINC000043463163	183364870	/nfs/dbraw/zinc/36/48/70/183364870.db2.gz	YVEYAKHKJQUSFY-GFCCVEGCSA-N	0	2	324.358	1.680	1	30		DDEFLN
CCCCCCCCCCNC(=O)[C@H]([NH3+])CO[P@](=O)([O-])O	ZINC000043463163	183364872	/nfs/dbraw/zinc/36/48/72/183364872.db2.gz	YVEYAKHKJQUSFY-GFCCVEGCSA-N	0	2	324.358	1.680	1	30		DDEFLN
COC(=O)[C@@]12Oc3cc(C)cc(O)c3C(=O)C1C(=O)CC[C@H]2O	ZINC000015122295	181990052	/nfs/dbraw/zinc/99/00/52/181990052.db2.gz	PQBOLSYBYUTMIN-BZNIZROVSA-N	0	2	320.297	1.154	1	30		DDEFLN
Cc1c(C)n(Cc2ccccn2)c2c1S(=O)(=O)C(C#N)=NN2	ZINC000005851102	181289793	/nfs/dbraw/zinc/28/97/93/181289793.db2.gz	FLRLXZPKQGTFRM-UHFFFAOYSA-N	0	2	315.358	1.585	1	30		DDEFLN
N#Cc1ncccc1CSc1[nH]c(=O)c(C#N)c2c1COCC2	ZINC000073140046	191283062	/nfs/dbraw/zinc/28/30/62/191283062.db2.gz	RMZOHPFYZBRDJW-UHFFFAOYSA-N	0	2	324.365	1.878	1	30	in-vitro	DDEFLN
C=C1C(=O)C(OC)=C(OC)C(=O)C1C(=O)c1ccc(F)cc1	ZINC000043990197	183392120	/nfs/dbraw/zinc/39/21/20/183392120.db2.gz	OWVFYULRMRVWJG-UHFFFAOYSA-N	0	2	304.273	1.981	1	30		DDEFLN