smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1	ZINC000217115495	537452461	/nfs/dbraw/zinc/45/24/61/537452461.db2.gz	BSJHQKQASIVQQI-GFCCVEGCSA-N	0	2	357.414	1.136	50	70		FDIALN
O=C(CCc1n[nH]c(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000218595636	537463010	/nfs/dbraw/zinc/46/30/10/537463010.db2.gz	URKBXAIZFUBRNP-ZDUSSCGKSA-N	0	2	354.370	1.043	50	70		FDIALN
CC(C)n1c(CCNC(=O)CCc2n[nH]c(=O)[nH]c2=O)nc2ccccc21	ZINC000218570024	519919897	/nfs/dbraw/zinc/91/98/97/519919897.db2.gz	UXSTVVQBHNGNTD-UHFFFAOYSA-N	0	2	370.413	1.093	50	70		FDIALN
Cc1cc(C)nc(SCc2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)o2)n1	ZINC000217564814	524601535	/nfs/dbraw/zinc/60/15/35/524601535.db2.gz	WNCBBUDHDMOIAI-UHFFFAOYSA-N	0	2	360.399	1.320	50	70		FDIALN
Cc1cc(=O)n2nc(CC(=O)NCc3ccccc3-n3cc[nH+]c3)[n-]c2n1	ZINC000218600656	537463002	/nfs/dbraw/zinc/46/30/02/537463002.db2.gz	DBQJMAXZSGSQMM-UHFFFAOYSA-N	0	2	363.381	1.183	50	70		FDIALN
CC(C)C[C@H](NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1nc2ccccc2[nH]1	ZINC000218521563	519383408	/nfs/dbraw/zinc/38/34/08/519383408.db2.gz	BEAZEPDYBSSQEK-AWEZNQCLSA-N	0	2	370.413	1.583	50	70		FDIALN
Cc1cc(=O)n2nc(CC(=O)N(C)Cc3[nH]nc4c3CCCCC4)[nH]c2n1	ZINC000216963101	525339287	/nfs/dbraw/zinc/33/92/87/525339287.db2.gz	UPZDGBZOJMVPNT-UHFFFAOYSA-N	0	2	369.429	1.331	50	70		FDIALN
Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)CC1	ZINC000217115481	537451745	/nfs/dbraw/zinc/45/17/45/537451745.db2.gz	BSJHQKQASIVQQI-LBPRGKRZSA-N	0	2	357.414	1.136	50	70		FDIALN
Cc1cc2nc(CNC(=O)Cc3nn4c(nc(C)cc4=O)[nH]3)cn2c(C)c1	ZINC000217860207	525670502	/nfs/dbraw/zinc/67/05/02/525670502.db2.gz	QIDVWBIHLUXXOA-UHFFFAOYSA-N	0	2	365.397	1.262	50	70		FDIALN
CC(C)[C@H](NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1nc2ccccc2n1C	ZINC000218447808	519818420	/nfs/dbraw/zinc/81/84/20/519818420.db2.gz	YHJWQDGKUURRBH-HNNXBMFYSA-N	0	2	370.413	1.203	50	70		FDIALN
CC(C)[C@H](NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1nc2ccccc2[nH]1	ZINC000218614096	537463228	/nfs/dbraw/zinc/46/32/28/537463228.db2.gz	HOVFSMSUBDNHQQ-AWEZNQCLSA-N	0	2	356.386	1.193	50	70		FDIALN
CS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cc(Cl)ccc3c2=O)CC1	ZINC000218387533	537463360	/nfs/dbraw/zinc/46/33/60/537463360.db2.gz	BKJJLSJJSSESAF-UHFFFAOYSA-N	0	2	369.830	1.311	50	70		FDIALN
O=C(NCc1n[nH]c(=O)[nH]1)c1ccccc1S(=O)(=O)Cc1ccccc1	ZINC000217932117	526814989	/nfs/dbraw/zinc/81/49/89/526814989.db2.gz	BKVVBULQNOSQQJ-UHFFFAOYSA-N	0	2	372.406	1.002	50	70		FDIALN