smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc(OC)c1O	ZINC000019549385	568854769	/nfs/dbraw/zinc/85/47/69/568854769.db2.gz	PSWHWLVBRXIFIX-IBGZPJMESA-N	0	3	440.544	2.429	40	30		IEEBHN
C=CCc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc(OC)c1O	ZINC000019549385	568854772	/nfs/dbraw/zinc/85/47/72/568854772.db2.gz	PSWHWLVBRXIFIX-IBGZPJMESA-N	0	3	440.544	2.429	40	30		IEEBHN
C=CCc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc(OC)c1O	ZINC000019549383	568854731	/nfs/dbraw/zinc/85/47/31/568854731.db2.gz	PSWHWLVBRXIFIX-LJQANCHMSA-N	0	3	440.544	2.429	40	30		IEEBHN
C=CCc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc(OC)c1O	ZINC000019549383	568854735	/nfs/dbraw/zinc/85/47/35/568854735.db2.gz	PSWHWLVBRXIFIX-LJQANCHMSA-N	0	3	440.544	2.429	40	30		IEEBHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCNCCO)cc1	ZINC000015022665	556488503	/nfs/dbraw/zinc/48/85/03/556488503.db2.gz	HKYURVAQELAYPI-HXUWFJFHSA-N	0	3	428.460	2.385	40	30		IEEBHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCNCCO)cc1	ZINC000015022661	556488453	/nfs/dbraw/zinc/48/84/53/556488453.db2.gz	HKYURVAQELAYPI-FQEVSTJZSA-N	0	3	428.460	2.385	40	30		IEEBHN
C=CCN(Cc1ccc(C(=O)NCCN(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1	ZINC000224485015	556629564	/nfs/dbraw/zinc/62/95/64/556629564.db2.gz	SMYVUHMTZMNUGQ-UHFFFAOYSA-N	0	3	431.558	2.364	40	30		IEEBHN
N#Cc1cccc(CN2CCC3(CC2)O[C@@H](C(=O)NCc2cccnc2)Cn2ccnc23)c1	ZINC000096243827	193943382	/nfs/dbraw/zinc/94/33/82/193943382.db2.gz	IDSNDHKIZMTIJC-JOCHJYFZSA-N	0	3	442.523	2.356	40	30		IEEBHN
N#Cc1cccc(CN2CCC3(CC2)O[C@H](C(=O)NCc2cccnc2)Cn2ccnc23)c1	ZINC000096243828	569387899	/nfs/dbraw/zinc/38/78/99/569387899.db2.gz	IDSNDHKIZMTIJC-QFIPXVFZSA-N	0	3	442.523	2.356	40	30		IEEBHN
CCN1CCN(CCNC(=O)c2ccc(-n3cccn3)c(C#Cc3cccnc3)c2)CC1	ZINC000019528202	568854462	/nfs/dbraw/zinc/85/44/62/568854462.db2.gz	YSOIOLSCSOVQTQ-UHFFFAOYSA-N	0	3	428.540	2.034	40	30		IEEBHN