smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)NC2CC2)c(N)c(=O)n1CC(=O)NCc1ccc(N)[nH+]c1C	ZINC000013489226	581093958	/nfs/dbraw/zinc/09/39/58/581093958.db2.gz	GXCPGNKYKIIPOI-UHFFFAOYSA-N	1	1	420.495	-0.218	1	0		HBAFMO
Nc1nc(N2CC[N@H+]3C[C@@H](Cn4cnnn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585863	581095964	/nfs/dbraw/zinc/09/59/64/581095964.db2.gz	UBXUIXVKKIUXSY-STQMWFEESA-N	1	1	422.457	-0.051	1	0		HBAFMO
NC(=[NH2+])N1CCC[C@H](NC(=O)CN2CCCC[C@](N)(Cc3ccccc3)C2=O)[C@@H]1O	ZINC000026489851	581097238	/nfs/dbraw/zinc/09/72/38/581097238.db2.gz	HZXNJMYMOIYCPJ-MDKPJZGXSA-N	1	1	416.526	-0.268	1	0		HBAFMO
NC(=[NH2+])N1CCC[C@H](NC(=O)CN2CCCC[C@](N)(Cc3ccccc3)C2=O)[C@H]1O	ZINC000026489857	581097273	/nfs/dbraw/zinc/09/72/73/581097273.db2.gz	HZXNJMYMOIYCPJ-CDXJDZJCSA-N	1	1	416.526	-0.268	1	0		HBAFMO
NC(=[NH2+])N1CCC[C@H](NC(=O)CN2CCCC[C@@](N)(Cc3ccccc3)C2=O)[C@@H]1O	ZINC000026493770	581097295	/nfs/dbraw/zinc/09/72/95/581097295.db2.gz	HZXNJMYMOIYCPJ-DJPFJPOOSA-N	1	1	416.526	-0.268	1	0		HBAFMO
NC(=[NH2+])N1CCC[C@H](NC(=O)CN2CCCC[C@@](N)(Cc3ccccc3)C2=O)[C@H]1O	ZINC000026493774	581097302	/nfs/dbraw/zinc/09/73/02/581097302.db2.gz	HZXNJMYMOIYCPJ-YRISNDGFSA-N	1	1	416.526	-0.268	1	0		HBAFMO
CC[N@H+]1C[C@]2(C)C=C[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](O)[C@@H]32)[C@@H]14	ZINC000070454416	291164055	/nfs/dbraw/zinc/16/40/55/291164055.db2.gz	DTGBDZOZFYXFTM-RQKXAZRZSA-N	1	1	407.507	-0.888	1	0	biogenic,in-vitro	HBAFMO
CC[N@H+]1C[C@]2(C)C=C[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](O)[C@@H]32)[C@@H]14	ZINC000085507163	291164087	/nfs/dbraw/zinc/16/40/87/291164087.db2.gz	DTGBDZOZFYXFTM-AGXMOITISA-N	1	1	407.507	-0.888	1	0	biogenic,in-vitro	HBAFMO
CC[N@H+]1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](O)[C@@H]32)[C@@H]14	ZINC000095918619	291164495	/nfs/dbraw/zinc/16/44/95/291164495.db2.gz	FNRMXORIKJLSGX-YOVZJVLUSA-N	1	1	423.550	-0.152	1	0	biogenic,in-vitro	HBAFMO
CC[N@H+]1C[C@]2(COC)CC[C@@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@@H](O)[C@@H]6OC	ZINC000095918620	291164493	/nfs/dbraw/zinc/16/44/93/291164493.db2.gz	VPFSENNXPMNKNH-VJXJTACOSA-N	1	1	423.550	-0.152	1	0	biogenic,in-vitro	HBAFMO
CC[N@H+]1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2O	ZINC000095918898	291164078	/nfs/dbraw/zinc/16/40/78/291164078.db2.gz	SAENAALZZONVML-KPTQCIDWSA-N	1	1	409.523	-0.520	1	0	biogenic,in-vitro	HBAFMO