smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC(=O)N(CC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)C1=O	ZINC000216998393	523740413	/nfs/dbraw/zinc/74/04/13/523740413.db2.gz	SAXHBAFRKKKJJP-LBPRGKRZSA-N	0	0	351.363	-1.465	50	70		FAIARN
CN1CC(=O)N(CC(=O)N2CCCn3nc([C@H](O)CO)cc3C2)C1=O	ZINC000216998404	523741141	/nfs/dbraw/zinc/74/11/41/523741141.db2.gz	SAXHBAFRKKKJJP-GFCCVEGCSA-N	0	0	351.363	-1.465	50	70		FAIARN
Cn1c(=O)cc(C(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)n(C)c1=O	ZINC000217191004	209656405	/nfs/dbraw/zinc/65/64/05/209656405.db2.gz	KXULGKUGYNAOLU-ZDUSSCGKSA-N	0	0	363.374	-1.648	50	70		FAIARN
Cn1c(=O)cc(C(=O)N2CCCn3nc([C@H](O)CO)cc3C2)n(C)c1=O	ZINC000217191011	482887090	/nfs/dbraw/zinc/88/70/90/482887090.db2.gz	KXULGKUGYNAOLU-CYBMUJFWSA-N	0	0	363.374	-1.648	50	70		FAIARN
COC[C@@H](O)CNS(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)C)c1	ZINC000217399385	206363401	/nfs/dbraw/zinc/36/34/01/206363401.db2.gz	LQSSXSTVPDBQQE-LBPRGKRZSA-N	0	0	373.431	-1.210	50	70		FAIARN
COC[C@H](O)CNS(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)C)c1	ZINC000217399463	206362440	/nfs/dbraw/zinc/36/24/40/206362440.db2.gz	LQSSXSTVPDBQQE-GFCCVEGCSA-N	0	0	373.431	-1.210	50	70		FAIARN
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC000217435372	526670920	/nfs/dbraw/zinc/67/09/20/526670920.db2.gz	SHUHKOZLSRFDRP-ZDUSSCGKSA-N	0	0	363.374	-1.419	50	70		FAIARN
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCn2nc([C@H](O)CO)cc2C1	ZINC000217435459	526671332	/nfs/dbraw/zinc/67/13/32/526671332.db2.gz	SHUHKOZLSRFDRP-CYBMUJFWSA-N	0	0	363.374	-1.419	50	70		FAIARN
Cn1cc(S(=O)(=O)N2CCCn3nc(CO)cc3C2)c(=O)n(C)c1=O	ZINC000217729739	482886532	/nfs/dbraw/zinc/88/65/32/482886532.db2.gz	CBWFZBIOAIKWAK-UHFFFAOYSA-N	0	0	369.403	-1.633	50	70		FAIARN
Cn1c2ncn(CCN3CCn4nc(CO)cc4C3)c2c(=O)n(C)c1=O	ZINC000217737563	482887427	/nfs/dbraw/zinc/88/74/27/482887427.db2.gz	OKFPUDYCFGITRK-UHFFFAOYSA-N	0	0	359.390	-1.362	50	70		FAIARN
Cn1c2c(nc1N1CCn3nc([C@@H](O)CO)cc3C1)n(C)c(=O)[nH]c2=O	ZINC000217814864	482886773	/nfs/dbraw/zinc/88/67/73/482886773.db2.gz	SVOHTLCZECCKHU-JTQLQIEISA-N	0	0	361.362	-1.797	50	70		FAIARN
Cn1c2c(nc1N1CCn3nc([C@H](O)CO)cc3C1)n(C)c(=O)[nH]c2=O	ZINC000217814935	206365277	/nfs/dbraw/zinc/36/52/77/206365277.db2.gz	SVOHTLCZECCKHU-SNVBAGLBSA-N	0	0	361.362	-1.797	50	70		FAIARN
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(CCn2cncn2)CC1	ZINC000218129807	206367455	/nfs/dbraw/zinc/36/74/55/206367455.db2.gz	JSAIGJAZRBMSJN-ZDUSSCGKSA-N	0	0	356.452	-1.154	50	70		FAIARN
NC(=O)COc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCO)cc1	ZINC000218272422	526893896	/nfs/dbraw/zinc/89/38/96/526893896.db2.gz	OMNHFIXINQPWOZ-ZIAGYGMSSA-N	0	0	374.415	-1.005	50	70		FAIARN
Cn1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)c(=O)[nH]c1=O	ZINC000218427124	222680994	/nfs/dbraw/zinc/68/09/94/222680994.db2.gz	FSNCVARZFBRTFS-XCWAXFADSA-N	0	0	358.376	-2.492	50	70		FAIARN
CN1CCc2n[nH]c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3NS(C)(=O)=O)c2C1	ZINC000218567242	206372186	/nfs/dbraw/zinc/37/21/86/206372186.db2.gz	FPNXZLPMXBEOIV-MGNUUCGSSA-N	0	0	369.447	-1.168	50	70		FAIARN
CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1cc(=O)[nH]c(=O)[nH]1)C2	ZINC000218625099	206371203	/nfs/dbraw/zinc/37/12/03/206371203.db2.gz	HQERZKIMBIBYDF-CYBMUJFWSA-N	0	0	362.390	-1.213	50	70		FAIARN
CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1cc(=O)[nH]c(=O)[nH]1)C2	ZINC000218625182	206372627	/nfs/dbraw/zinc/37/26/27/206372627.db2.gz	HQERZKIMBIBYDF-ZDUSSCGKSA-N	0	0	362.390	-1.213	50	70		FAIARN
COCC(=O)N1CCN(C)C[C@@H]1C(=O)NCCSc1nnnn1C	ZINC000218653690	206373073	/nfs/dbraw/zinc/37/30/73/206373073.db2.gz	WKXFQETZNVUTRV-SNVBAGLBSA-N	0	0	357.440	-1.793	50	70		FAIARN
COCC(=O)N1CCN(C)C[C@H]1C(=O)NCCSc1nnnn1C	ZINC000218653759	482889038	/nfs/dbraw/zinc/88/90/38/482889038.db2.gz	WKXFQETZNVUTRV-JTQLQIEISA-N	0	0	357.440	-1.793	50	70		FAIARN
Cn1nnc2c1cccc2S(=O)(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O	ZINC000218712212	482888115	/nfs/dbraw/zinc/88/81/15/482888115.db2.gz	YSAZQCKWCVIRGA-KOLCDFICSA-N	0	0	369.403	-1.094	50	70		FAIARN