smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1cc(CN(C)C(=O)Cc2cc(=O)[nH][n-]c2=O)[nH]n1	ZINC000217956730	376600825	/nfs/dbraw/zinc/60/08/25/376600825.db2.gz	VEQCJCSZSBAOAP-UHFFFAOYSA-N	-1	0	305.338	-0.060	50	70		DBIARM
CN(C)C(=O)c1ccc(CNC(=O)Cc2cc(=O)[nH][n-]c2=O)o1	ZINC000218226730	376603410	/nfs/dbraw/zinc/60/34/10/376603410.db2.gz	VOLJACRLIOGRNK-UHFFFAOYSA-N	-1	0	320.305	-0.783	50	70		DBIARM
Cc1nnc([C@@H](C)NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)[nH]1	ZINC000217169918	376579411	/nfs/dbraw/zinc/57/94/11/376579411.db2.gz	MBPVDBBXQXHHHF-SSDOTTSWSA-N	-1	0	316.325	-0.015	50	70		DBIARM
O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCO[C@@H](c2cccnc2)C1	ZINC000218369739	376608316	/nfs/dbraw/zinc/60/83/16/376608316.db2.gz	GXMXZTSIFWYWRR-GFCCVEGCSA-N	-1	0	316.317	-0.399	50	70		DBIARM
CCCn1cnnc1[C@@H](C)NC(=O)Cc1cc(=O)[nH][n-]c1=O	ZINC000218074771	376600699	/nfs/dbraw/zinc/60/06/99/376600699.db2.gz	OMXXAIGJJKFWJI-MRVPVSSYSA-N	-1	0	306.326	-0.515	50	70		DBIARM
Cc1nnc([C@H](C)NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)[nH]1	ZINC000217169925	376580283	/nfs/dbraw/zinc/58/02/83/376580283.db2.gz	MBPVDBBXQXHHHF-ZETCQYMHSA-N	-1	0	316.325	-0.015	50	70		DBIARM
O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCO[C@H](c2cccnc2)C1	ZINC000218369819	201537263	/nfs/dbraw/zinc/53/72/63/201537263.db2.gz	GXMXZTSIFWYWRR-LBPRGKRZSA-N	-1	0	316.317	-0.399	50	70		DBIARM
CCCn1cnnc1[C@H](C)NC(=O)Cc1cc(=O)[nH][n-]c1=O	ZINC000218074870	376599827	/nfs/dbraw/zinc/59/98/27/376599827.db2.gz	OMXXAIGJJKFWJI-QMMMGPOBSA-N	-1	0	306.326	-0.515	50	70		DBIARM
O=C(CCc1n[nH]c(=O)[n-]c1=O)NCc1nc2ccccc2[nH]1	ZINC000218500715	376607486	/nfs/dbraw/zinc/60/74/86/376607486.db2.gz	NOCLKYBJKZACKN-UHFFFAOYSA-N	-1	0	314.305	-0.004	50	70		DBIARM
O=c1cc(CN2CCn3nc(CO)cc3C2)nc2[n-]cnn21	ZINC000217052565	376578488	/nfs/dbraw/zinc/57/84/88/376578488.db2.gz	FJCKUCRNJJBNPO-UHFFFAOYSA-N	-1	0	301.310	-0.878	50	70		DBIARM
COCc1nc(C)c(CNC(=O)Cc2cc(=O)[nH][n-]c2=O)s1	ZINC000218563098	333394058	/nfs/dbraw/zinc/39/40/58/333394058.db2.gz	IAIQHTJAULTDLY-UHFFFAOYSA-N	-1	0	324.362	-0.167	50	70		DBIARM