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)C[NH2+]1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000216984994	376575063	/nfs/dbraw/zinc/57/50/63/376575063.db2.gz	IZMHRPBNLYVKSC-IUCAKERBSA-N	1	0	306.297	-0.354	50	70		DBIARO
OC[C@H](O)c1cc2n(n1)CCC[N@H+](CCCn1cnnn1)C2	ZINC000217175699	376579280	/nfs/dbraw/zinc/57/92/80/376579280.db2.gz	FQCVJOJFTOZGBA-ZDUSSCGKSA-N	1	0	307.358	-0.809	50	70		DBIARO
C[N@@H+]1CCCN(CC(=O)N2CC[C@]3(C2)CCCNC3=O)CC1	ZINC000216686697	376570066	/nfs/dbraw/zinc/57/00/66/376570066.db2.gz	SZBDSOJJHQAWMY-INIZCTEOSA-N	1	0	308.426	-0.247	50	70		DBIARO
CC[N@@H+]1CC[C@H](CN(C)C(=O)CCn2ccc(=O)[nH]c2=O)C1	ZINC000217207528	376582062	/nfs/dbraw/zinc/58/20/62/376582062.db2.gz	SCZOYUJBSCEGIV-GFCCVEGCSA-N	1	0	308.382	-0.273	50	70		DBIARO
C[C@H](CCC(=O)NCc1c[nH]c(=O)[nH]c1=O)[NH+]1CCN(C)CC1	ZINC000218777865	376612241	/nfs/dbraw/zinc/61/22/41/376612241.db2.gz	GISXHQDZKDBVGI-LLVKDONJSA-N	1	0	323.397	-0.905	50	70		DBIARO
Cc1cc(N2CCCN(C(=O)Cn3nnnc3N)CC2)cc[nH+]1	ZINC000217939933	201527300	/nfs/dbraw/zinc/52/73/00/201527300.db2.gz	VIPRRXKGRVWLEE-UHFFFAOYSA-N	1	0	316.369	-0.302	50	70		DBIARO
CC[N@@H+]1CC[C@@H](CN(C)C(=O)CCn2ccc(=O)[nH]c2=O)C1	ZINC000217207521	376582318	/nfs/dbraw/zinc/58/23/18/376582318.db2.gz	SCZOYUJBSCEGIV-LBPRGKRZSA-N	1	0	308.382	-0.273	50	70		DBIARO
C[NH+](C)[C@@H]1CCN(CC(=O)NCc2nnc3ccccn32)C1	ZINC000218184670	201532691	/nfs/dbraw/zinc/53/26/91/201532691.db2.gz	SUCRJFRRZOYFMY-GFCCVEGCSA-N	1	0	302.382	-0.019	50	70		DBIARO
C[NH+]1CCC(O)(C(=O)N[C@H]2C[C@H](c3cc(=O)[nH]cn3)C2)CC1	ZINC000218321377	376605823	/nfs/dbraw/zinc/60/58/23/376605823.db2.gz	UQRTYGVGLOBQNT-PHIMTYICSA-N	1	0	306.366	-0.411	50	70		DBIARO
C[NH+]1CCC(O)(C(=O)N[C@H]2C[C@@H](c3cc(=O)[nH]cn3)C2)CC1	ZINC000218377031	376607375	/nfs/dbraw/zinc/60/73/75/376607375.db2.gz	UQRTYGVGLOBQNT-XYPYZODXSA-N	1	0	306.366	-0.411	50	70		DBIARO
Cc1nonc1CC(=O)N[C@@H]1COCC[C@@H]1OCC[NH+](C)C	ZINC000218760779	376613037	/nfs/dbraw/zinc/61/30/37/376613037.db2.gz	ANYIAVULBWKTHR-OLZOCXBDSA-N	1	0	312.370	-0.228	50	70		DBIARO
Cn1cncc1CN1CCC([NH+]2CCN(CCO)CC2)CC1	ZINC000216929804	376575562	/nfs/dbraw/zinc/57/55/62/376575562.db2.gz	RONRYISMVCFPRS-UHFFFAOYSA-N	1	0	307.442	-0.006	50	70		DBIARO
CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1	ZINC000161027984	380392099	/nfs/dbraw/zinc/39/20/99/380392099.db2.gz	ZUCNHRNKTIGSCF-STQMWFEESA-N	1	0	311.407	-0.294	50	70		DBIARO
C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(O)CC[NH+](C)CC1)C2	ZINC000216929029	376575044	/nfs/dbraw/zinc/57/50/44/376575044.db2.gz	NRTRVERUCJJCAI-LLVKDONJSA-N	1	0	308.382	-0.265	50	70		DBIARO
CC(C)[N@H+](C)CC(=O)N1CCN(Cc2c[nH]cn2)C[C@@H](O)C1	ZINC000216993314	376575742	/nfs/dbraw/zinc/57/57/42/376575742.db2.gz	XFCIYTZMDUEQDR-CQSZACIVSA-N	1	0	309.414	-0.245	50	70		DBIARO
CC(C)C[N@@H+]1CCN(CC(=O)Nc2cnn(C)c2)C[C@@H](O)C1	ZINC000217103354	392158557	/nfs/dbraw/zinc/15/85/57/392158557.db2.gz	AJIFGESWWLCODY-AWEZNQCLSA-N	1	0	309.414	-0.007	50	70		DBIARO
OC[C@@H](O)c1cc2n(n1)CCC[N@H+](CCCn1cnnn1)C2	ZINC000217175691	376579861	/nfs/dbraw/zinc/57/98/61/376579861.db2.gz	FQCVJOJFTOZGBA-CYBMUJFWSA-N	1	0	307.358	-0.809	50	70		DBIARO
Cc1nc[nH]c1CN1CC[N@@H+](CCC(=O)N(C)C)C[C@@H](O)C1	ZINC000217434729	376591123	/nfs/dbraw/zinc/59/11/23/376591123.db2.gz	NIRWZBQWPBPSTJ-CYBMUJFWSA-N	1	0	309.414	-0.325	50	70		DBIARO
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCC1=NNC(=O)CC1	ZINC000218079968	376600714	/nfs/dbraw/zinc/60/07/14/376600714.db2.gz	PAMZDUZIYLPVCI-AQNFWKISSA-N	1	0	308.382	-0.134	50	70		DBIARO
C[NH+](C)[C@H]1CCN(CC(=O)NCc2nnc3ccccn32)C1	ZINC000218184739	376603507	/nfs/dbraw/zinc/60/35/07/376603507.db2.gz	SUCRJFRRZOYFMY-LBPRGKRZSA-N	1	0	302.382	-0.019	50	70		DBIARO
C[C@@H](CCC(=O)NCc1c[nH]c(=O)[nH]c1=O)[NH+]1CCN(C)CC1	ZINC000218777785	376612754	/nfs/dbraw/zinc/61/27/54/376612754.db2.gz	GISXHQDZKDBVGI-NSHDSACASA-N	1	0	323.397	-0.905	50	70		DBIARO
CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1	ZINC000161027860	197458617	/nfs/dbraw/zinc/45/86/17/197458617.db2.gz	ZUCNHRNKTIGSCF-OLZOCXBDSA-N	1	0	311.407	-0.294	50	70		DBIARO
C[C@H](O)c1cc2n(n1)CCN(C(=O)C1(O)CC[NH+](C)CC1)C2	ZINC000216929048	376575675	/nfs/dbraw/zinc/57/56/75/376575675.db2.gz	NRTRVERUCJJCAI-NSHDSACASA-N	1	0	308.382	-0.265	50	70		DBIARO
Cn1c(=O)[nH]cc(CC[N@@H+]2CCCn3nc(CO)cc3C2)c1=O	ZINC000217198884	376582358	/nfs/dbraw/zinc/58/23/58/376582358.db2.gz	QWZJAAMUGHUMSA-UHFFFAOYSA-N	1	0	319.365	-0.789	50	70		DBIARO
Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(=O)[nH]c1=O	ZINC000218725962	376609861	/nfs/dbraw/zinc/60/98/61/376609861.db2.gz	BBQPOIDODZBSMP-JTQLQIEISA-N	1	0	308.382	-0.076	50	70		DBIARO
Cn1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(=O)[nH]c1=O	ZINC000218726044	376610315	/nfs/dbraw/zinc/61/03/15/376610315.db2.gz	BBQPOIDODZBSMP-SNVBAGLBSA-N	1	0	308.382	-0.076	50	70		DBIARO
Cc1nc(C)c(CC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c(=O)[nH]1	ZINC000218572875	257273828	/nfs/dbraw/zinc/27/38/28/257273828.db2.gz	ZRVJIDYXBFSTSO-KBPBESRZSA-N	1	0	320.393	-0.091	50	70		DBIARO
Cc1c[nH+]ccc1NCCNC(=O)Cc1c[nH]c(=O)n(C)c1=O	ZINC000218558918	333394119	/nfs/dbraw/zinc/39/41/19/333394119.db2.gz	ACGZJHSVPOIVPU-UHFFFAOYSA-N	1	0	317.349	-0.452	50	70		DBIARO