smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=O)[C@@H]1Cc2cn(Cc3c(C)noc3C)c3cccc(c23)[C@H](CC(C)C)N1	ZINC000049171788	518920464	/nfs/dbraw/zinc/92/04/64/518920464.db2.gz	BCJWDUIQRZYTER-VXKWHMMOSA-N	0	3	420.557	4.198	10	30		HIEEHN
N#Cc1cccc(COc2cccc(CN3CCC[C@@H](c4n[nH]cc4C(N)=O)C3)c2)c1	ZINC000328604056	569417226	/nfs/dbraw/zinc/41/72/26/569417226.db2.gz	IGXJOXYQALKLIT-HXUWFJFHSA-N	0	3	415.497	4.123	10	30		HIEEHN
CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(C[C@H](O)c2ccccc2)C1	ZINC000328603382	569417048	/nfs/dbraw/zinc/41/70/48/569417048.db2.gz	FZUBTUAAHAMJTP-OFNKIYASSA-N	0	3	418.541	4.110	10	30		HIEEHN
CC(C)(O)C#Cc1ccc(CN[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)s1	ZINC000019223671	569017782	/nfs/dbraw/zinc/01/77/82/569017782.db2.gz	BQTVNMLEBOIOTG-INIZCTEOSA-N	0	3	423.504	4.043	10	30		HIEEHN
C=C(C)[C@@H]1CC=C(CN2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)CC1	ZINC000020536169	518642736	/nfs/dbraw/zinc/64/27/36/518642736.db2.gz	XGYUPRHLFCRYGB-JOCHJYFZSA-N	0	3	424.585	4.305	10	30		HIEEHN
CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1	ZINC000328603381	569417051	/nfs/dbraw/zinc/41/70/51/569417051.db2.gz	FZUBTUAAHAMJTP-NFBKMPQASA-N	0	3	418.541	4.110	10	30		HIEEHN
CC(C)(O)C#Cc1ccc(CN[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)s1	ZINC000019223668	569017876	/nfs/dbraw/zinc/01/78/76/569017876.db2.gz	BQTVNMLEBOIOTG-MRXNPFEDSA-N	0	3	423.504	4.043	10	30		HIEEHN
O=C1C=C(NNc2ccc(Cc3ccc(NNC4=CC(=O)CCC4)cc3)cc2)CCC1	ZINC000103582044	569048746	/nfs/dbraw/zinc/04/87/46/569048746.db2.gz	UCZJWWYNTSUTPB-UHFFFAOYSA-N	0	3	416.525	4.384	10	30	in-vitro	HIEEHN
N#Cc1cccc(COc2cccc(CN3CCC[C@H](c4n[nH]cc4C(N)=O)C3)c2)c1	ZINC000328604055	569417241	/nfs/dbraw/zinc/41/72/41/569417241.db2.gz	IGXJOXYQALKLIT-FQEVSTJZSA-N	0	3	415.497	4.123	10	30		HIEEHN
CC(C)(C)NC1=Nc2ncccc2NC12CCN(C(=O)CCc1ccccc1)CC2	ZINC000096309752	568673940	/nfs/dbraw/zinc/67/39/40/568673940.db2.gz	QPSYYGKYGNHTQJ-UHFFFAOYSA-N	0	3	405.546	4.110	10	30		HIEEHN