smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cc(S(=O)(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)cn1	ZINC000218513899	376608686	/nfs/dbraw/zinc/60/86/86/376608686.db2.gz	VYEHHUHQPSXJIK-YVECIDJPSA-N	1	1	314.411	-0.101	50	70		DBIAMO
OC[C@H](O)c1cc2n(n1)CCC[N@@H+](CCCn1cnnn1)C2	ZINC000217175699	376579288	/nfs/dbraw/zinc/57/92/88/376579288.db2.gz	FQCVJOJFTOZGBA-ZDUSSCGKSA-N	1	1	307.358	-0.809	50	70		DBIAMO
C[N@H+]1CCCN(CC(=O)N2CC[C@]3(C2)CCCNC3=O)CC1	ZINC000216686697	376570090	/nfs/dbraw/zinc/57/00/90/376570090.db2.gz	SZBDSOJJHQAWMY-INIZCTEOSA-N	1	1	308.426	-0.247	50	70		DBIAMO
CC[N@H+]1CC[C@H](CN(C)C(=O)CCn2ccc(=O)[nH]c2=O)C1	ZINC000217207528	376582078	/nfs/dbraw/zinc/58/20/78/376582078.db2.gz	SCZOYUJBSCEGIV-GFCCVEGCSA-N	1	1	308.382	-0.273	50	70		DBIAMO
CC[N@H+]1CC[C@@H](CN(C)C(=O)CCn2ccc(=O)[nH]c2=O)C1	ZINC000217207521	376582329	/nfs/dbraw/zinc/58/23/29/376582329.db2.gz	SCZOYUJBSCEGIV-LBPRGKRZSA-N	1	1	308.382	-0.273	50	70		DBIAMO
COCC[N@H+](C)CC(=O)N1CCN(c2cnccn2)C[C@@H](O)C1	ZINC000217964994	376599879	/nfs/dbraw/zinc/59/98/79/376599879.db2.gz	ZVQWUNHMGYKFSA-CYBMUJFWSA-N	1	1	323.397	-0.936	50	70		DBIAMO
COCC[N@@H+](C)CC(=O)N1CCN(c2cnccn2)C[C@@H](O)C1	ZINC000217964994	376599889	/nfs/dbraw/zinc/59/98/89/376599889.db2.gz	ZVQWUNHMGYKFSA-CYBMUJFWSA-N	1	1	323.397	-0.936	50	70		DBIAMO
CC(C)[N@@H+](C)CC(=O)N1CCN(Cc2c[nH]cn2)C[C@@H](O)C1	ZINC000216993314	376575757	/nfs/dbraw/zinc/57/57/57/376575757.db2.gz	XFCIYTZMDUEQDR-CQSZACIVSA-N	1	1	309.414	-0.245	50	70		DBIAMO
CC(C)[N@H+](C)CC(=O)N1CCN(Cc2cnc[nH]2)C[C@@H](O)C1	ZINC000216993314	376575769	/nfs/dbraw/zinc/57/57/69/376575769.db2.gz	XFCIYTZMDUEQDR-CQSZACIVSA-N	1	1	309.414	-0.245	50	70		DBIAMO
CC(C)[N@@H+](C)CC(=O)N1CCN(Cc2cnc[nH]2)C[C@@H](O)C1	ZINC000216993314	376575779	/nfs/dbraw/zinc/57/57/79/376575779.db2.gz	XFCIYTZMDUEQDR-CQSZACIVSA-N	1	1	309.414	-0.245	50	70		DBIAMO
CNc1cc[nH+]c(N2CCN(c3cnccn3)C[C@@H](O)C2)n1	ZINC000217589379	376593261	/nfs/dbraw/zinc/59/32/61/376593261.db2.gz	RGJVXBPZZJGPGY-LLVKDONJSA-N	1	1	301.354	-0.004	50	70		DBIAMO
CC(C)C[N@H+]1CCN(CC(=O)Nc2cnn(C)c2)C[C@@H](O)C1	ZINC000217103354	392158569	/nfs/dbraw/zinc/15/85/69/392158569.db2.gz	AJIFGESWWLCODY-AWEZNQCLSA-N	1	1	309.414	-0.007	50	70		DBIAMO
OC[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCCn1cnnn1)C2	ZINC000217175691	376579868	/nfs/dbraw/zinc/57/98/68/376579868.db2.gz	FQCVJOJFTOZGBA-CYBMUJFWSA-N	1	1	307.358	-0.809	50	70		DBIAMO
Cc1nc[nH]c1CN1CC[N@H+](CCC(=O)N(C)C)C[C@@H](O)C1	ZINC000217434729	376591135	/nfs/dbraw/zinc/59/11/35/376591135.db2.gz	NIRWZBQWPBPSTJ-CYBMUJFWSA-N	1	1	309.414	-0.325	50	70		DBIAMO
CCc1[nH+]ccn1CCCNC(=O)c1c[nH]nc1-n1cnnn1	ZINC000217949136	376601819	/nfs/dbraw/zinc/60/18/19/376601819.db2.gz	KWBXRKXPQTXHCW-UHFFFAOYSA-N	1	1	315.341	-0.036	50	70		DBIAMO
Nc1cc[nH+]c(N2CCN(c3nc(CO)cs3)C[C@@H](O)C2)n1	ZINC000217192624	376582985	/nfs/dbraw/zinc/58/29/85/376582985.db2.gz	HGPNDTSUFITDQR-JTQLQIEISA-N	1	1	322.394	-0.305	50	70		DBIAMO
Cn1c(=O)[nH]cc(CC[N@H+]2CCCn3nc(CO)cc3C2)c1=O	ZINC000217198884	376582373	/nfs/dbraw/zinc/58/23/73/376582373.db2.gz	QWZJAAMUGHUMSA-UHFFFAOYSA-N	1	1	319.365	-0.789	50	70		DBIAMO
C[NH+]1CCN(Cc2oc(CN3CCOCC3)cc(=O)c2O)CC1	ZINC000218504152	376608092	/nfs/dbraw/zinc/60/80/92/376608092.db2.gz	CDLNQUFUHSEATB-UHFFFAOYSA-N	1	1	323.393	-0.075	50	70		DBIAMO
Cn1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c(=O)[nH]c1=O	ZINC000218725962	376609881	/nfs/dbraw/zinc/60/98/81/376609881.db2.gz	BBQPOIDODZBSMP-JTQLQIEISA-N	1	1	308.382	-0.076	50	70		DBIAMO
Cn1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c(=O)[nH]c1=O	ZINC000218726044	376610321	/nfs/dbraw/zinc/61/03/21/376610321.db2.gz	BBQPOIDODZBSMP-SNVBAGLBSA-N	1	1	308.382	-0.076	50	70		DBIAMO