smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2ccc(N4CCCC4)cc2)CC3)cc1	ZINC000014742890	523945021	/nfs/dbraw/zinc/94/50/21/523945021.db2.gz	ZWJVEPJCVRGWMN-UHFFFAOYSA-N	0	3	476.621	3.767	10	10		JHCEHN
COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc3c(c1)CCCN3C)CC2	ZINC000014741445	523801479	/nfs/dbraw/zinc/80/14/79/523801479.db2.gz	GSAOQGKSQFUWDN-UHFFFAOYSA-N	0	3	490.648	3.557	10	10		JHCEHN
CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C/C=C/c1ccc(N(C)C)cc1)CC2	ZINC000014741878	521525114	/nfs/dbraw/zinc/52/51/14/521525114.db2.gz	FFMXVJFFXGHRBS-RMKNXTFCSA-N	0	3	475.637	3.912	10	10		JHCEHN
Cn1c(CCNC(=O)[C@@H]2CC23CCN(Cc2ccc4c(c2)CCCN4C)CC3)nc2ccccc21	ZINC000012246384	527048534	/nfs/dbraw/zinc/04/85/34/527048534.db2.gz	AHOQDUMRYMJGHE-QHCPKHFHSA-N	0	3	471.649	3.917	10	10		JHCEHN
CCN(CC)c1ccc(CN2C[C@@H](NCc3ccc(OC)c(C)c3C)C[C@H]2C(=O)NCCOC)cc1	ZINC000020455281	520894251	/nfs/dbraw/zinc/89/42/51/520894251.db2.gz	YIKVWXXUVNFPQC-BDYUSTAISA-N	0	3	496.696	3.654	10	10		JHCEHN
COc1cccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccc2)[C@@H]3O)c1[O-]	ZINC000011995284	562958245	/nfs/dbraw/zinc/95/82/45/562958245.db2.gz	CUIKQVGSSOVZSK-RSXGOPAZSA-N	0	3	458.558	3.780	10	10		JHCEHN
Cn1c(CCNC(=O)[C@H]2CC23CCN(Cc2ccc4c(c2)CCCN4C)CC3)nc2ccccc21	ZINC000012246383	527048914	/nfs/dbraw/zinc/04/89/14/527048914.db2.gz	AHOQDUMRYMJGHE-HSZRJFAPSA-N	0	3	471.649	3.917	10	10		JHCEHN