smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218106444	537459120	/nfs/dbraw/zinc/45/91/20/537459120.db2.gz	AKTYYWITDSACOY-GFCCVEGCSA-N	-1	0	361.350	1.571	50	70		FDIARM
Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)c2n[nH]c(=O)[n-]2)CC1	ZINC000217115495	537452456	/nfs/dbraw/zinc/45/24/56/537452456.db2.gz	BSJHQKQASIVQQI-GFCCVEGCSA-N	-1	0	357.414	1.136	50	70		FDIARM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000218595636	537463004	/nfs/dbraw/zinc/46/30/04/537463004.db2.gz	URKBXAIZFUBRNP-ZDUSSCGKSA-N	-1	0	354.370	1.043	50	70		FDIARM
CC(C)n1c(CCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)nc2ccccc21	ZINC000218570024	519919887	/nfs/dbraw/zinc/91/98/87/519919887.db2.gz	UXSTVVQBHNGNTD-UHFFFAOYSA-N	-1	0	370.413	1.093	50	70		FDIARM
Cc1cc(C)nc(SCc2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)o2)n1	ZINC000217564814	524601506	/nfs/dbraw/zinc/60/15/06/524601506.db2.gz	WNCBBUDHDMOIAI-UHFFFAOYSA-N	-1	0	360.399	1.320	50	70		FDIARM
Cc1cc(=O)n2nc(CC(=O)NCc3ccccc3-n3ccnc3)[n-]c2n1	ZINC000218600656	537462996	/nfs/dbraw/zinc/46/29/96/537462996.db2.gz	DBQJMAXZSGSQMM-UHFFFAOYSA-N	-1	0	363.381	1.183	50	70		FDIARM
CC(C)C[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)c1nc2ccccc2[nH]1	ZINC000218521563	519383400	/nfs/dbraw/zinc/38/34/00/519383400.db2.gz	BEAZEPDYBSSQEK-AWEZNQCLSA-N	-1	0	370.413	1.583	50	70		FDIARM
O=C(c1cc(=O)[n-]o1)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1	ZINC000217007181	222669914	/nfs/dbraw/zinc/66/99/14/222669914.db2.gz	GALSQHFNYJFZJA-QGZVFWFLSA-N	-1	0	354.366	1.705	50	70		FDIARM
Cc1cc(=O)n2nc(CC(=O)N(C)Cc3[nH]nc4c3CCCCC4)[n-]c2n1	ZINC000216963101	525339266	/nfs/dbraw/zinc/33/92/66/525339266.db2.gz	UPZDGBZOJMVPNT-UHFFFAOYSA-N	-1	0	369.429	1.331	50	70		FDIARM
O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1	ZINC000216913650	568153533	/nfs/dbraw/zinc/15/35/33/568153533.db2.gz	WCJYRBLDGSSYJT-UHFFFAOYSA-N	-1	0	371.372	1.027	50	70		FDIARM
CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2noc3c2CCCCC3)c1	ZINC000159655388	524714283	/nfs/dbraw/zinc/71/42/83/524714283.db2.gz	DJYONUQHUPVUOL-UHFFFAOYSA-N	-1	0	366.443	1.915	50	70		FDIARM
O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000218027091	132272794	/nfs/dbraw/zinc/27/27/94/132272794.db2.gz	UJZXJNFAPYHWEB-AWEZNQCLSA-N	-1	0	364.409	1.354	50	70		FDIARM
Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)c2n[nH]c(=O)[n-]2)CC1	ZINC000217115481	537451735	/nfs/dbraw/zinc/45/17/35/537451735.db2.gz	BSJHQKQASIVQQI-LBPRGKRZSA-N	-1	0	357.414	1.136	50	70		FDIARM
Cc1cc2nc(CNC(=O)Cc3nn4c([n-]3)nc(C)cc4=O)cn2c(C)c1	ZINC000217860207	525670486	/nfs/dbraw/zinc/67/04/86/525670486.db2.gz	QIDVWBIHLUXXOA-UHFFFAOYSA-N	-1	0	365.397	1.262	50	70		FDIARM
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])cc(C)oc1=O	ZINC000218016142	537457441	/nfs/dbraw/zinc/45/74/41/537457441.db2.gz	QGTAYUGEUWBFQN-GFCCVEGCSA-N	-1	0	372.377	1.539	50	70		FDIARM
O=C(c1cc(=O)[n-]o1)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	ZINC000217007172	206360585	/nfs/dbraw/zinc/36/05/85/206360585.db2.gz	GALSQHFNYJFZJA-KRWDZBQOSA-N	-1	0	354.366	1.705	50	70		FDIARM
O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000218026994	132272697	/nfs/dbraw/zinc/27/26/97/132272697.db2.gz	UJZXJNFAPYHWEB-CQSZACIVSA-N	-1	0	364.409	1.354	50	70		FDIARM
CC(C)[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)c1nc2ccccc2n1C	ZINC000218447808	519818419	/nfs/dbraw/zinc/81/84/19/519818419.db2.gz	YHJWQDGKUURRBH-HNNXBMFYSA-N	-1	0	370.413	1.203	50	70		FDIARM
Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2OCCc3ccccc32)s1	ZINC000161085780	525030941	/nfs/dbraw/zinc/03/09/41/525030941.db2.gz	TXIGKFNQEVTTIP-ZDUSSCGKSA-N	-1	0	352.437	1.879	50	70		FDIARM
Cn1cc(C(=O)N2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c(=O)[nH]c1=O	ZINC000217610258	537456031	/nfs/dbraw/zinc/45/60/31/537456031.db2.gz	GEZLRLUHLNFCAP-CYBMUJFWSA-N	-1	0	357.345	1.066	50	70		FDIARM
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])cc(C)oc1=O	ZINC000218016227	537458033	/nfs/dbraw/zinc/45/80/33/537458033.db2.gz	QGTAYUGEUWBFQN-LBPRGKRZSA-N	-1	0	372.377	1.539	50	70		FDIARM
CC(C)[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)c1nc2ccccc2[nH]1	ZINC000218614096	537463220	/nfs/dbraw/zinc/46/32/20/537463220.db2.gz	HOVFSMSUBDNHQQ-AWEZNQCLSA-N	-1	0	356.386	1.193	50	70		FDIARM
Cn1cc(C(=O)N2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)c(=O)[nH]c1=O	ZINC000217610338	537455863	/nfs/dbraw/zinc/45/58/63/537455863.db2.gz	GEZLRLUHLNFCAP-ZDUSSCGKSA-N	-1	0	357.345	1.066	50	70		FDIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCOCC2)cn1	ZINC000217973338	132272856	/nfs/dbraw/zinc/27/28/56/132272856.db2.gz	HCZNCOPYZVDNPD-UHFFFAOYSA-N	-1	0	374.426	1.001	50	70		FDIARM
Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2OCCc3ccccc32)s1	ZINC000161085903	525031453	/nfs/dbraw/zinc/03/14/53/525031453.db2.gz	TXIGKFNQEVTTIP-CYBMUJFWSA-N	-1	0	352.437	1.879	50	70		FDIARM
O=C(NCc1n[nH]c(=O)[n-]1)c1ccccc1S(=O)(=O)Cc1ccccc1	ZINC000217932117	526814977	/nfs/dbraw/zinc/81/49/77/526814977.db2.gz	BKVVBULQNOSQQJ-UHFFFAOYSA-N	-1	0	372.406	1.002	50	70		FDIARM
O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCN(C2CCCCC2)C(=O)C1	ZINC000217041108	537452387	/nfs/dbraw/zinc/45/23/87/537452387.db2.gz	MQLZGDLEUQOHBN-UHFFFAOYSA-N	-1	0	368.437	1.783	50	70		FDIARM