smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@H](C)C2)n1	ZINC000448126248	1069029045	/nfs/dbraw/zinc/02/90/45/1069029045.db2.gz	AZTAHNKFPZGILM-VQHPVUNQSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@H](C)C2)n1	ZINC000448126248	1069029032	/nfs/dbraw/zinc/02/90/32/1069029032.db2.gz	AZTAHNKFPZGILM-VQHPVUNQSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)n1	ZINC000448126248	1069029021	/nfs/dbraw/zinc/02/90/21/1069029021.db2.gz	AZTAHNKFPZGILM-VQHPVUNQSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)n1	ZINC000448126248	1069029008	/nfs/dbraw/zinc/02/90/08/1069029008.db2.gz	AZTAHNKFPZGILM-VQHPVUNQSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@@H](C)C2)n1	ZINC000448126249	1068825517	/nfs/dbraw/zinc/82/55/17/1068825517.db2.gz	AZTAHNKFPZGILM-WNKDZCFJSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@@H](C)C2)n1	ZINC000448126249	1068825508	/nfs/dbraw/zinc/82/55/08/1068825508.db2.gz	AZTAHNKFPZGILM-WNKDZCFJSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1	ZINC000448126249	1068825499	/nfs/dbraw/zinc/82/54/99/1068825499.db2.gz	AZTAHNKFPZGILM-WNKDZCFJSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1	ZINC000448126249	1068825487	/nfs/dbraw/zinc/82/54/87/1068825487.db2.gz	AZTAHNKFPZGILM-WNKDZCFJSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1	ZINC000448126250	1069028754	/nfs/dbraw/zinc/02/87/54/1069028754.db2.gz	AZTAHNKFPZGILM-YYIAUSFCSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1	ZINC000448126250	1069028737	/nfs/dbraw/zinc/02/87/37/1069028737.db2.gz	AZTAHNKFPZGILM-YYIAUSFCSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1	ZINC000448126250	1069028719	/nfs/dbraw/zinc/02/87/19/1069028719.db2.gz	AZTAHNKFPZGILM-YYIAUSFCSA-N	2	3	406.579	-0.015	20	0		HBADHP
COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1	ZINC000448126250	1069028698	/nfs/dbraw/zinc/02/86/98/1069028698.db2.gz	AZTAHNKFPZGILM-YYIAUSFCSA-N	2	3	406.579	-0.015	20	0		HBADHP
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000510560653	1068552573	/nfs/dbraw/zinc/55/25/73/1068552573.db2.gz	SSTUXLIGWKZASF-UHFFFAOYSA-N	2	3	424.634	-0.045	20	0		HBADHP
COCCNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)n1	ZINC000538086530	1069633572	/nfs/dbraw/zinc/63/35/72/1069633572.db2.gz	KEMWJBZWKBNKBG-CALCHBBNSA-N	2	3	406.579	-0.297	20	0		HBADHP
COCCNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)n1	ZINC000538086530	1069633568	/nfs/dbraw/zinc/63/35/68/1069633568.db2.gz	KEMWJBZWKBNKBG-CALCHBBNSA-N	2	3	406.579	-0.297	20	0		HBADHP
COCCNc1nc(NC[C@H]2CCC[N@@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)n1	ZINC000538086530	1069633564	/nfs/dbraw/zinc/63/35/64/1069633564.db2.gz	KEMWJBZWKBNKBG-CALCHBBNSA-N	2	3	406.579	-0.297	20	0		HBADHP
COCCNc1nc(NC[C@H]2CCC[N@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)n1	ZINC000538086530	1069633561	/nfs/dbraw/zinc/63/35/61/1069633561.db2.gz	KEMWJBZWKBNKBG-CALCHBBNSA-N	2	3	406.579	-0.297	20	0		HBADHP
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672639710	1069259569	/nfs/dbraw/zinc/25/95/69/1069259569.db2.gz	FHMTUCWSNXDXKJ-GOSISDBHSA-N	2	3	422.618	-0.245	20	0		HBADHP
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000672639711	1069258868	/nfs/dbraw/zinc/25/88/68/1069258868.db2.gz	FHMTUCWSNXDXKJ-SFHVURJKSA-N	2	3	422.618	-0.245	20	0		HBADHP
CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(C)C(N)=[NH2+])[C@@H](O)OC(C)(C)C)C1	ZINC001144141558	1071040388	/nfs/dbraw/zinc/04/03/88/1071040388.db2.gz	FLJJDHRPWLEMCG-ACMLMGIUSA-N	2	3	402.540	-0.893	20	0		HBADHP
CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(C)C(N)=[NH2+])[C@H](O)OC(C)(C)C)C1	ZINC001144141568	1071040585	/nfs/dbraw/zinc/04/05/85/1071040585.db2.gz	FLJJDHRPWLEMCG-QMHOLRBPSA-N	2	3	402.540	-0.893	20	0		HBADHP
CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(C)C(N)=[NH2+])[C@H](O)OC(C)(C)C)C1	ZINC001144141570	1071040447	/nfs/dbraw/zinc/04/04/47/1071040447.db2.gz	FLJJDHRPWLEMCG-VERFIZQUSA-N	2	3	402.540	-0.893	20	0		HBADHP
CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(C)C(N)=[NH2+])[C@@H](O)OC(C)(C)C)C1	ZINC001144141574	1071040378	/nfs/dbraw/zinc/04/03/78/1071040378.db2.gz	FLJJDHRPWLEMCG-WVXQGFRLSA-N	2	3	402.540	-0.893	20	0		HBADHP