smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc(S(=O)(=O)F)cc3C)C2)C1	ZINC001164780637	721376991	/nfs/dbraw/zinc/37/69/91/721376991.db2.gz	HOOQIXDWFLDWBY-NRFANRHFSA-N	0	0	452.552	2.772	20	70		JFIDRN
COC(=O)c1cnc(N2CCC3(CC(N(C)Cc4ccncc4)C3)CC2)c(S(=O)(=O)F)c1	ZINC001164795267	721504459	/nfs/dbraw/zinc/50/44/59/721504459.db2.gz	JBVVPXHJICIDJV-UHFFFAOYSA-N	0	0	462.547	2.802	20	70		JFIDRN
COC(=O)c1cnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)c(S(=O)(=O)F)c1	ZINC001165031155	721845076	/nfs/dbraw/zinc/84/50/76/721845076.db2.gz	VKLXIINGETYTOH-UHFFFAOYSA-N	0	0	481.546	2.644	20	70		JFIDRN
COC(=O)c1cnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c(S(=O)(=O)F)c1	ZINC001164700948	719817290	/nfs/dbraw/zinc/81/72/90/719817290.db2.gz	NJWNABQHWJHBRU-UHFFFAOYSA-N	0	0	468.576	2.926	20	70		JFIDRN
COC(=O)c1cnc(N2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)c(S(=O)(=O)F)c1	ZINC001164839019	720729672	/nfs/dbraw/zinc/72/96/72/720729672.db2.gz	ZVCTYLWCOVDZFU-LJQANCHMSA-N	0	0	477.558	2.786	20	70		JFIDRN
COC(=O)c1cnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c(S(=O)(=O)F)c1	ZINC001164679148	719532473	/nfs/dbraw/zinc/53/24/73/719532473.db2.gz	UMIVXKLCWICRAV-UHFFFAOYSA-N	0	0	481.521	2.537	20	70		JFIDRN
COC(=O)c1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(S(=O)(=O)F)c1	ZINC001164910611	721738069	/nfs/dbraw/zinc/73/80/69/721738069.db2.gz	GXXLUZPATFXGRD-FQEVSTJZSA-N	0	0	484.500	2.659	20	70		JFIDRN
COC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(S(=O)(=O)F)c1	ZINC001164910620	721738338	/nfs/dbraw/zinc/73/83/38/721738338.db2.gz	GXXLUZPATFXGRD-HXUWFJFHSA-N	0	0	484.500	2.659	20	70		JFIDRN
COC(=O)c1cnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c(S(=O)(=O)F)c1	ZINC001164941065	721933811	/nfs/dbraw/zinc/93/38/11/721933811.db2.gz	FZWGIAQKCQMMPQ-UHFFFAOYSA-N	0	0	477.558	2.706	20	70		JFIDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164658889	719353914	/nfs/dbraw/zinc/35/39/14/719353914.db2.gz	LEQVHHFZJSHNLR-UHFFFAOYSA-N	0	0	456.547	2.830	20	70		JFIDRN
COC(=O)c1cnc(N2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)c(S(=O)(=O)F)c1	ZINC001164838943	720729510	/nfs/dbraw/zinc/72/95/10/720729510.db2.gz	ZVCTYLWCOVDZFU-IBGZPJMESA-N	0	0	477.558	2.786	20	70		JFIDRN
COC(=O)c1cnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c(S(=O)(=O)F)c1	ZINC001164909558	721766031	/nfs/dbraw/zinc/76/60/31/721766031.db2.gz	CBLVVWUYGFGPIS-UHFFFAOYSA-N	0	0	474.514	2.709	20	70		JFIDRN
COC(=O)c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c(S(=O)(=O)F)c1	ZINC001164995227	722213665	/nfs/dbraw/zinc/21/36/65/722213665.db2.gz	HILLHRGQICPDMV-NRFANRHFSA-N	0	0	451.495	2.910	20	70		JFIDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc(S(=O)(=O)F)cc3C)C2)C1	ZINC001164780638	721376855	/nfs/dbraw/zinc/37/68/55/721376855.db2.gz	HOOQIXDWFLDWBY-OAQYLSRUSA-N	0	0	452.552	2.772	20	70		JFIDRN
COC(=O)c1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c(S(=O)(=O)F)c1	ZINC001164995228	722213596	/nfs/dbraw/zinc/21/35/96/722213596.db2.gz	HILLHRGQICPDMV-OAQYLSRUSA-N	0	0	451.495	2.910	20	70		JFIDRN