smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(S(=O)(=O)F)ccn4)C3)O2)CC1	ZINC001164893195	721452390	/nfs/dbraw/zinc/45/23/90/721452390.db2.gz	YVRHXNSXZSCCAI-VQIMIIECSA-N	0	1	412.531	1.505	20	70		HDIDMN
O=S(=O)(F)c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nn1	ZINC001164960010	722059817	/nfs/dbraw/zinc/05/98/17/722059817.db2.gz	COTHSEIFQYPUQK-UHFFFAOYSA-N	0	1	421.498	1.649	20	70		HDIDMN
O=S(=O)(F)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1	ZINC001164974273	722143364	/nfs/dbraw/zinc/14/33/64/722143364.db2.gz	DBJBYHMLIJOXNS-JKSUJKDBSA-N	0	1	407.471	1.257	20	70		HDIDMN
Cc1cc(S(=O)(=O)F)cnc1N1CCn2cc(CN3CCN(C)CC3)nc2C1	ZINC001164794339	721522438	/nfs/dbraw/zinc/52/24/38/721522438.db2.gz	BVGVMLRXUSXWQT-UHFFFAOYSA-N	0	1	408.503	1.012	20	70		HDIDMN
O=S(=O)(F)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1	ZINC001164974269	722143229	/nfs/dbraw/zinc/14/32/29/722143229.db2.gz	DBJBYHMLIJOXNS-HOTGVXAUSA-N	0	1	407.471	1.257	20	70		HDIDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(S(=O)(=O)F)ccn4)C3)O2)CC1	ZINC001164893188	721452348	/nfs/dbraw/zinc/45/23/48/721452348.db2.gz	YVRHXNSXZSCCAI-APWZRJJASA-N	0	1	412.531	1.505	20	70		HDIDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(S(=O)(=O)F)ccn4)C3)O2)CC1	ZINC001164893191	721452373	/nfs/dbraw/zinc/45/23/73/721452373.db2.gz	YVRHXNSXZSCCAI-LPHOPBHVSA-N	0	1	412.531	1.505	20	70		HDIDMN
O=S(=O)(F)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1	ZINC001164974271	722143052	/nfs/dbraw/zinc/14/30/52/722143052.db2.gz	DBJBYHMLIJOXNS-HZPDHXFCSA-N	0	1	407.471	1.257	20	70		HDIDMN
O=S(=O)(F)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1	ZINC001164974267	722143376	/nfs/dbraw/zinc/14/33/76/722143376.db2.gz	DBJBYHMLIJOXNS-CVEARBPZSA-N	0	1	407.471	1.257	20	70		HDIDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(S(=O)(=O)F)ccn4)C3)O2)CC1	ZINC001164893193	721452835	/nfs/dbraw/zinc/45/28/35/721452835.db2.gz	YVRHXNSXZSCCAI-QFBILLFUSA-N	0	1	412.531	1.505	20	70		HDIDMN