smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2ncc(C(=O)N3CCn4nc([C@@H](C)O)cc4C3)c(=O)n2[nH]1	ZINC000217893352	241281722	/nfs/dbraw/zinc/28/17/22/241281722.db2.gz	GPWRRCUVNZGCQL-SNVBAGLBSA-N	0	2	342.359	0.237	50	70		ECIALN
C[C@@H](NC(=O)CCCc1nc(-c2ccncc2)no1)c1n[nH]c(=O)[nH]1	ZINC000218432893	241321906	/nfs/dbraw/zinc/32/19/06/241321906.db2.gz	UBCNEECBEQNXMA-SECBINFHSA-N	0	2	343.347	0.743	50	70		ECIALN
C[C@H](NC(=O)CCCc1nc(-c2ccncc2)no1)c1n[nH]c(=O)[nH]1	ZINC000218432967	241322305	/nfs/dbraw/zinc/32/23/05/241322305.db2.gz	UBCNEECBEQNXMA-VIFPVBQESA-N	0	2	343.347	0.743	50	70		ECIALN
Cc1cc2ncc(C(=O)N3CCn4nc([C@H](C)O)cc4C3)c(=O)n2[nH]1	ZINC000217893446	241280738	/nfs/dbraw/zinc/28/07/38/241280738.db2.gz	GPWRRCUVNZGCQL-JTQLQIEISA-N	0	2	342.359	0.237	50	70		ECIALN
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2[nH]c(C)nn2c1=O	ZINC000218445566	535651681	/nfs/dbraw/zinc/65/16/81/535651681.db2.gz	NDTDVZZLUCNOCY-NOZJJQNGSA-N	0	2	335.408	0.490	50	70		ECIALN
CC(C)Cc1cc(C(=O)NCCc2nc(O)cc(=O)[nH]2)nc(N)n1	ZINC000217105327	535335778	/nfs/dbraw/zinc/33/57/78/535335778.db2.gz	JKQWYQJVRSQAAL-UHFFFAOYSA-N	0	2	332.364	0.431	50	70		ECIALN
CC(C)Cc1cc(C(=O)NCCC2=NC(=O)CC(=O)N2)nc(N)n1	ZINC000217105327	535335786	/nfs/dbraw/zinc/33/57/86/535335786.db2.gz	JKQWYQJVRSQAAL-UHFFFAOYSA-N	0	2	332.364	0.431	50	70		ECIALN
Cc1cc2ncc(C(=O)N3CCCn4nc(CO)cc4C3)c(=O)n2[nH]1	ZINC000217412096	545920324	/nfs/dbraw/zinc/92/03/24/545920324.db2.gz	NRIAGVOCBCYERN-UHFFFAOYSA-N	0	2	342.359	0.066	50	70		ECIALN
CSCC[C@@H](CO)NC(=O)CCc1c(C)nc2cc[nH]n2c1=O	ZINC000218515468	295599878	/nfs/dbraw/zinc/59/98/78/295599878.db2.gz	UMMUVPSIXSQZNY-NSHDSACASA-N	0	2	338.433	0.494	50	70		ECIALN
O=C(CC[C@@H]1NC(=O)NC1=O)NCc1nc2cc(Cl)ccc2[nH]1	ZINC000217137931	241235116	/nfs/dbraw/zinc/23/51/16/241235116.db2.gz	JAYVTAXVAZXAGC-VIFPVBQESA-N	0	2	335.751	0.821	50	70		ECIALN
O=C(CC[C@@H]1NC(=O)NC1=O)NCc1nc2ccc(Cl)cc2[nH]1	ZINC000217137931	241235121	/nfs/dbraw/zinc/23/51/21/241235121.db2.gz	JAYVTAXVAZXAGC-VIFPVBQESA-N	0	2	335.751	0.821	50	70		ECIALN
C[C@H](NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1nc2ccccc2[nH]1	ZINC000218556392	241331464	/nfs/dbraw/zinc/33/14/64/241331464.db2.gz	IWPZELPPONOHMH-QMMMGPOBSA-N	0	2	328.332	0.557	50	70		ECIALN
Cc1ccc2[nH]c(CCNC(=O)CC[C@@H]3NC(=O)NC3=O)nc2c1C	ZINC000218774842	241345484	/nfs/dbraw/zinc/34/54/84/241345484.db2.gz	KPRVONKFTCNHQD-LBPRGKRZSA-N	0	2	343.387	0.827	50	70		ECIALN
Cc1ccc2nc(CCNC(=O)CC[C@@H]3NC(=O)NC3=O)[nH]c2c1C	ZINC000218774842	241345488	/nfs/dbraw/zinc/34/54/88/241345488.db2.gz	KPRVONKFTCNHQD-LBPRGKRZSA-N	0	2	343.387	0.827	50	70		ECIALN
CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Cc1cc(=O)[nH][nH]c1=O	ZINC000217044036	536460798	/nfs/dbraw/zinc/46/07/98/536460798.db2.gz	OLVODVAZPQZIEN-UHFFFAOYSA-N	0	2	330.319	0.885	50	70		ECIALN
Cc1cc2nc(C[N@@H+]3CCCn4nc(CO)cc4C3)cc(=O)n2[n-]1	ZINC000217735942	545921019	/nfs/dbraw/zinc/92/10/19/545921019.db2.gz	BXXJKYSBHRQJNR-UHFFFAOYSA-N	0	2	328.376	0.426	50	70		ECIALN
Cc1cc(=O)n2nc(CCC(=O)N[C@H](CO)c3ccccc3)[nH]c2n1	ZINC000218226036	241308747	/nfs/dbraw/zinc/30/87/47/241308747.db2.gz	RCUFVHAWAMODNK-CYBMUJFWSA-N	0	2	341.371	0.508	50	70		ECIALN
COc1ccccc1-c1noc(CCC(=O)NCc2n[nH]c(=O)[nH]2)n1	ZINC000217976364	241287637	/nfs/dbraw/zinc/28/76/37/241287637.db2.gz	XYDRMXFKWGTQOG-UHFFFAOYSA-N	0	2	344.331	0.406	50	70		ECIALN