smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)n(CC[N@H+]2CCCn3nc([C@@H](O)CO)cc3C2)c(=O)[nH]1	ZINC000217041918	241233214	/nfs/dbraw/zinc/23/32/14/241233214.db2.gz	JNKRTBQWKKNMHQ-AWEZNQCLSA-N	1	2	349.391	-1.027	50	70		EAIALO
Cc1cc(=O)n(CC[N@@H+]2CCCn3nc([C@@H](O)CO)cc3C2)c(=O)[nH]1	ZINC000217041918	241233212	/nfs/dbraw/zinc/23/32/12/241233212.db2.gz	JNKRTBQWKKNMHQ-AWEZNQCLSA-N	1	2	349.391	-1.027	50	70		EAIALO
Cc1cc(=O)n(CC[N@H+]2CCCn3nc([C@H](O)CO)cc3C2)c(=O)[nH]1	ZINC000217041949	241233491	/nfs/dbraw/zinc/23/34/91/241233491.db2.gz	JNKRTBQWKKNMHQ-CQSZACIVSA-N	1	2	349.391	-1.027	50	70		EAIALO
Cc1cc(=O)n(CC[N@@H+]2CCCn3nc([C@H](O)CO)cc3C2)c(=O)[nH]1	ZINC000217041949	241233488	/nfs/dbraw/zinc/23/34/88/241233488.db2.gz	JNKRTBQWKKNMHQ-CQSZACIVSA-N	1	2	349.391	-1.027	50	70		EAIALO
COCC[N@@H+](C)CC(=O)N1CCN(Cc2c[nH]nn2)C[C@@H](O)C1	ZINC000217067362	536774691	/nfs/dbraw/zinc/77/46/91/536774691.db2.gz	TZQFEOHHEQZHSP-CYBMUJFWSA-N	1	2	326.401	-1.612	50	70		EAIALO
COCC[N@H+](C)CC(=O)N1CCN(Cc2c[nH]nn2)C[C@@H](O)C1	ZINC000217067362	536774682	/nfs/dbraw/zinc/77/46/82/536774682.db2.gz	TZQFEOHHEQZHSP-CYBMUJFWSA-N	1	2	326.401	-1.612	50	70		EAIALO
Cn1cnnc1C[N@H+]1CCN(c2nc(N)nc3nc[nH]c32)C[C@@H](O)C1	ZINC000217394127	241247138	/nfs/dbraw/zinc/24/71/38/241247138.db2.gz	HOTHOUPCLZVNPA-VIFPVBQESA-N	1	2	344.383	-1.253	50	70		EAIALO
Cn1cnnc1C[N@@H+]1CCN(c2nc(N)nc3nc[nH]c32)C[C@@H](O)C1	ZINC000217394127	241247134	/nfs/dbraw/zinc/24/71/34/241247134.db2.gz	HOTHOUPCLZVNPA-VIFPVBQESA-N	1	2	344.383	-1.253	50	70		EAIALO
O=c1cc(C[N@@H+]2CCn3nc([C@@H](O)CO)cc3C2)nc2[nH]cnn21	ZINC000217567520	241260329	/nfs/dbraw/zinc/26/03/29/241260329.db2.gz	DSCAWOQKJVALKZ-LBPRGKRZSA-N	1	2	331.336	-1.344	50	70		EAIALO
O=c1cc(C[N@H+]2CCn3nc([C@@H](O)CO)cc3C2)nc2[nH]cnn21	ZINC000217567520	241260326	/nfs/dbraw/zinc/26/03/26/241260326.db2.gz	DSCAWOQKJVALKZ-LBPRGKRZSA-N	1	2	331.336	-1.344	50	70		EAIALO
O=c1cc(C[N@@H+]2CCn3nc([C@H](O)CO)cc3C2)nc2[nH]cnn21	ZINC000217567599	241261057	/nfs/dbraw/zinc/26/10/57/241261057.db2.gz	DSCAWOQKJVALKZ-GFCCVEGCSA-N	1	2	331.336	-1.344	50	70		EAIALO
O=c1cc(C[N@H+]2CCn3nc([C@H](O)CO)cc3C2)nc2[nH]cnn21	ZINC000217567599	241261055	/nfs/dbraw/zinc/26/10/55/241261055.db2.gz	DSCAWOQKJVALKZ-GFCCVEGCSA-N	1	2	331.336	-1.344	50	70		EAIALO
CS(=O)(=O)CC[N@H+]1CCN(c2ncccc2C(N)=O)C[C@@H](O)C1	ZINC000217600655	241262905	/nfs/dbraw/zinc/26/29/05/241262905.db2.gz	JIKQAOOXZLVXOI-NSHDSACASA-N	1	2	342.421	-1.292	50	70		EAIALO
CS(=O)(=O)CC[N@@H+]1CCN(c2ncccc2C(N)=O)C[C@@H](O)C1	ZINC000217600655	241262902	/nfs/dbraw/zinc/26/29/02/241262902.db2.gz	JIKQAOOXZLVXOI-NSHDSACASA-N	1	2	342.421	-1.292	50	70		EAIALO