smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H](NC(=O)C(F)(F)F)C(=O)NCc1ccccc1	ZINC000026500303	182443959	/nfs/dbraw/zinc/44/39/59/182443959.db2.gz	VFEJYWLSTGECQR-JTQLQIEISA-N	0	2	317.267	0.444	1	0		DCAFLN
CNC(=O)C(c1csnn1)S(=O)(=O)c1ccc(F)cc1	ZINC000040577091	183104416	/nfs/dbraw/zinc/10/44/16/183104416.db2.gz	HACILFUCKPQHHY-SNVBAGLBSA-N	0	2	315.351	0.938	1	0		DCAFLN
COc1ccc(C(=O)Cc2c(O)n(C)c(=O)n(C)c2=O)cc1	ZINC000004340208	181100047	/nfs/dbraw/zinc/10/00/47/181100047.db2.gz	PXSDUWTWRSPGGV-UHFFFAOYSA-N	0	2	304.302	0.935	3	0		DCAFLN
O=C([O-])[C@H](Cc1ccccc1)[NH2+]CC[N@@H+]1CCC[C@H]1C(=O)[O-]	ZINC000022039165	182305629	/nfs/dbraw/zinc/30/56/29/182305629.db2.gz	AIQRRBZICYVCTC-KBPBESRZSA-N	0	2	306.362	0.821	1	0		DCAFLN
O=C([O-])[C@H](Cc1ccccc1)[NH2+]CC[N@H+]1CCC[C@H]1C(=O)[O-]	ZINC000022039165	182305631	/nfs/dbraw/zinc/30/56/31/182305631.db2.gz	AIQRRBZICYVCTC-KBPBESRZSA-N	0	2	306.362	0.821	1	0		DCAFLN
CCc1cc(=O)oc2nc(OCc3ccnnc3)[nH]c(=O)c12	ZINC000073224797	191296162	/nfs/dbraw/zinc/29/61/62/191296162.db2.gz	XVNFZONKMSTWIZ-UHFFFAOYSA-N	0	2	300.274	0.808	1	0		DCAFLN
NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F	ZINC000095591208	185382045	/nfs/dbraw/zinc/38/20/45/185382045.db2.gz	DKTDBVHOWVECPE-UHFFFAOYSA-N	0	2	305.274	0.975	1	0		DCAFLN
COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1	ZINC000004791477	181152396	/nfs/dbraw/zinc/15/23/96/181152396.db2.gz	QMUALMJMQXNBIA-LSQIQBGYSA-N	0	2	320.348	0.729	1	0		DCAFLN
CNC(=O)C(c1csnn1)S(=O)(=O)c1ccc(F)cc1	ZINC000040577093	183105228	/nfs/dbraw/zinc/10/52/28/183105228.db2.gz	HACILFUCKPQHHY-JTQLQIEISA-N	0	2	315.351	0.938	1	0		DCAFLN
O=C(NN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@@H]21)c1ccccn1	ZINC000058566174	184122962	/nfs/dbraw/zinc/12/29/62/184122962.db2.gz	UOHVZYYJHRCWBD-BISCAEAHSA-N	0	2	309.325	0.780	1	0		DCAFLN
CCCOc1ccc(N)cc1-c1ncc(-c2nn[nH]n2)c(=O)[nH]1	ZINC000039291404	183016342	/nfs/dbraw/zinc/01/63/42/183016342.db2.gz	ZXWFWNPZBJUFHU-UHFFFAOYSA-N	0	2	313.321	0.988	1	0		DCAFLN
COC(=O)[C@@]1(O)c2c(oc3cccc(=O)c-3c2O)C=C[C@H]1O	ZINC000015258121	560229761	/nfs/dbraw/zinc/22/97/61/560229761.db2.gz	HEFOWMGZUBJFBY-BMIGLBTASA-N	0	2	304.254	0.247	3	0	in-vitro	DCAFLN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCCOC	ZINC000007002782	181431086	/nfs/dbraw/zinc/43/10/86/181431086.db2.gz	CKKICKNASGMYEB-UHFFFAOYSA-N	0	2	318.395	0.743	1	0		DCAFLN
C[S@@](=O)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl	ZINC000028764139	182537895	/nfs/dbraw/zinc/53/78/95/182537895.db2.gz	FVHHXOZFIRKERT-IBGZPJMESA-N	0	2	320.157	0.965	1	0		DCAFLN
Cc1ccccc1O[C@H](C)C(=O)Nn1c(=O)cc(O)[nH]c1=S	ZINC000006523277	181348586	/nfs/dbraw/zinc/34/85/86/181348586.db2.gz	UHXPGRFLRUYULT-SECBINFHSA-N	0	2	321.358	0.838	1	0		DCAFLN
Cc1ccccc1O[C@@H](C)C(=O)Nn1c(=O)cc(O)[nH]c1=S	ZINC000006523272	181348961	/nfs/dbraw/zinc/34/89/61/181348961.db2.gz	UHXPGRFLRUYULT-VIFPVBQESA-N	0	2	321.358	0.838	1	0		DCAFLN