smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000216984994	376575074	/nfs/dbraw/zinc/57/50/74/376575074.db2.gz	IZMHRPBNLYVKSC-IUCAKERBSA-N	0	3	306.297	-0.354	50	70		DBIAHN
CN1CCCN(CC(=O)N2CC[C@]3(C2)CCCNC3=O)CC1	ZINC000216686697	376570101	/nfs/dbraw/zinc/57/01/01/376570101.db2.gz	SZBDSOJJHQAWMY-INIZCTEOSA-N	0	3	308.426	-0.247	50	70		DBIAHN
C[C@H](CCC(=O)NCc1c[nH]c(=O)[nH]c1=O)N1CCN(C)CC1	ZINC000218777865	376612257	/nfs/dbraw/zinc/61/22/57/376612257.db2.gz	GISXHQDZKDBVGI-LLVKDONJSA-N	0	3	323.397	-0.905	50	70		DBIAHN
CN(C)[C@@H]1CCN(CC(=O)NCc2nnc3ccccn32)C1	ZINC000218184670	201532695	/nfs/dbraw/zinc/53/26/95/201532695.db2.gz	SUCRJFRRZOYFMY-GFCCVEGCSA-N	0	3	302.382	-0.019	50	70		DBIAHN
Cc1nonc1CC(=O)N[C@@H]1COCC[C@@H]1OCCN(C)C	ZINC000218760779	376613050	/nfs/dbraw/zinc/61/30/50/376613050.db2.gz	ANYIAVULBWKTHR-OLZOCXBDSA-N	0	3	312.370	-0.228	50	70		DBIAHN
Cn1cncc1CN1CCC(N2CCN(CCO)CC2)CC1	ZINC000216929804	376575590	/nfs/dbraw/zinc/57/55/90/376575590.db2.gz	RONRYISMVCFPRS-UHFFFAOYSA-N	0	3	307.442	-0.006	50	70		DBIAHN
CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1	ZINC000161027984	380392132	/nfs/dbraw/zinc/39/21/32/380392132.db2.gz	ZUCNHRNKTIGSCF-STQMWFEESA-N	0	3	311.407	-0.294	50	70		DBIAHN
C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(O)CCN(C)CC1)C2	ZINC000216929029	376575057	/nfs/dbraw/zinc/57/50/57/376575057.db2.gz	NRTRVERUCJJCAI-LLVKDONJSA-N	0	3	308.382	-0.265	50	70		DBIAHN
CC(C)N(C)CC(=O)N1CCN(Cc2c[nH]cn2)C[C@@H](O)C1	ZINC000216993314	376575795	/nfs/dbraw/zinc/57/57/95/376575795.db2.gz	XFCIYTZMDUEQDR-CQSZACIVSA-N	0	3	309.414	-0.245	50	70		DBIAHN
CC(C)N(C)CC(=O)N1CCN(Cc2cnc[nH]2)C[C@@H](O)C1	ZINC000216993314	376575805	/nfs/dbraw/zinc/57/58/05/376575805.db2.gz	XFCIYTZMDUEQDR-CQSZACIVSA-N	0	3	309.414	-0.245	50	70		DBIAHN
CC(C)CN1CCN(CC(=O)Nc2cnn(C)c2)C[C@@H](O)C1	ZINC000217103354	392158575	/nfs/dbraw/zinc/15/85/75/392158575.db2.gz	AJIFGESWWLCODY-AWEZNQCLSA-N	0	3	309.414	-0.007	50	70		DBIAHN
Cc1nc[nH]c1CN1CCN(CCC(=O)N(C)C)C[C@@H](O)C1	ZINC000217434729	376591155	/nfs/dbraw/zinc/59/11/55/376591155.db2.gz	NIRWZBQWPBPSTJ-CYBMUJFWSA-N	0	3	309.414	-0.325	50	70		DBIAHN
CN(C)[C@H]1CCN(CC(=O)NCc2nnc3ccccn32)C1	ZINC000218184739	376603533	/nfs/dbraw/zinc/60/35/33/376603533.db2.gz	SUCRJFRRZOYFMY-LBPRGKRZSA-N	0	3	302.382	-0.019	50	70		DBIAHN
C[C@@H](CCC(=O)NCc1c[nH]c(=O)[nH]c1=O)N1CCN(C)CC1	ZINC000218777785	376612770	/nfs/dbraw/zinc/61/27/70/376612770.db2.gz	GISXHQDZKDBVGI-NSHDSACASA-N	0	3	323.397	-0.905	50	70		DBIAHN
CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1	ZINC000161027860	197458618	/nfs/dbraw/zinc/45/86/18/197458618.db2.gz	ZUCNHRNKTIGSCF-OLZOCXBDSA-N	0	3	311.407	-0.294	50	70		DBIAHN
C[C@H](O)c1cc2n(n1)CCN(C(=O)C1(O)CCN(C)CC1)C2	ZINC000216929048	376575682	/nfs/dbraw/zinc/57/56/82/376575682.db2.gz	NRTRVERUCJJCAI-NSHDSACASA-N	0	3	308.382	-0.265	50	70		DBIAHN
CN1CCc2[nH]nc(C(=O)N3CCn4nc(CO)cc4C3)c2C1	ZINC000217189707	376579593	/nfs/dbraw/zinc/57/95/93/376579593.db2.gz	IJWVFURHFZOOTD-UHFFFAOYSA-N	0	3	316.365	-0.258	50	70		DBIAHN
Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(=O)[n-]c1=O	ZINC000218725962	376609893	/nfs/dbraw/zinc/60/98/93/376609893.db2.gz	BBQPOIDODZBSMP-JTQLQIEISA-N	0	3	308.382	-0.076	50	70		DBIAHN
Cn1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c(=O)[n-]c1=O	ZINC000218725962	376609906	/nfs/dbraw/zinc/60/99/06/376609906.db2.gz	BBQPOIDODZBSMP-JTQLQIEISA-N	0	3	308.382	-0.076	50	70		DBIAHN
Cn1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(=O)[n-]c1=O	ZINC000218726044	376610326	/nfs/dbraw/zinc/61/03/26/376610326.db2.gz	BBQPOIDODZBSMP-SNVBAGLBSA-N	0	3	308.382	-0.076	50	70		DBIAHN
Cn1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c(=O)[n-]c1=O	ZINC000218726044	376610333	/nfs/dbraw/zinc/61/03/33/376610333.db2.gz	BBQPOIDODZBSMP-SNVBAGLBSA-N	0	3	308.382	-0.076	50	70		DBIAHN
Cc1nc(C)c(CC(=O)N[C@H]2COC[C@@H]2N2CCCC2)c(=O)[nH]1	ZINC000218572875	257273832	/nfs/dbraw/zinc/27/38/32/257273832.db2.gz	ZRVJIDYXBFSTSO-KBPBESRZSA-N	0	3	320.393	-0.091	50	70		DBIAHN