smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2cc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)oc21	ZINC000217592450	569449640	/nfs/dbraw/zinc/44/96/40/569449640.db2.gz	MNFXXAWQUXJOMB-UHFFFAOYSA-N	0	3	441.553	4.046	50	70		IIIAHN
COc1ccc(CNc2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cc1	ZINC000218385397	557196816	/nfs/dbraw/zinc/19/68/16/557196816.db2.gz	WKDSYIHDYDSFRO-UHFFFAOYSA-N	0	3	436.581	4.158	50	70		IIIAHN
CSc1ccc(CCC(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1	ZINC000217592745	569449715	/nfs/dbraw/zinc/44/97/15/569449715.db2.gz	NFOINBQGEDOUGN-UHFFFAOYSA-N	0	3	445.654	4.332	50	70		IIIAHN
Cc1ccc2cccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)c2n1	ZINC000217592850	569449666	/nfs/dbraw/zinc/44/96/66/569449666.db2.gz	DJBGQTPVXJRTNL-UHFFFAOYSA-N	0	3	436.581	4.148	50	70		IIIAHN
Cc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc1C	ZINC000217591910	569449696	/nfs/dbraw/zinc/44/96/96/569449696.db2.gz	ZJOAMPFDKHNXPM-UHFFFAOYSA-N	0	3	446.588	4.139	50	70		IIIAHN
CCOc1ccccc1NC(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	ZINC000217593733	569449708	/nfs/dbraw/zinc/44/97/08/569449708.db2.gz	KYAFKPZDZRASID-UHFFFAOYSA-N	0	3	430.574	4.082	50	70		IIIAHN
O=S(=O)(/C=C/c1ccccc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1	ZINC000217591793	569449675	/nfs/dbraw/zinc/44/96/75/569449675.db2.gz	LZHHJSQWBBDUOB-XMHGGMMESA-N	0	3	444.572	4.134	50	70		IIIAHN
O=C(Cc1cccc2ccccc21)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	ZINC000217593318	569449710	/nfs/dbraw/zinc/44/97/10/569449710.db2.gz	YJWOUWOZJLSYRC-UHFFFAOYSA-N	0	3	435.593	4.373	50	70		IIIAHN