smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)c1[nH]cc(C)[nH+]1	ZINC000217025074	352232333	/nfs/dbraw/zinc/23/23/33/352232333.db2.gz	GMDMXEKAOHMQNF-SECBINFHSA-N	1	2	291.311	-0.014	50	70		CBIALO
Cc1c[nH]c(CN(C)C(=O)Cc2c[nH]c(=O)n(C)c2=O)[nH+]1	ZINC000217197905	352232423	/nfs/dbraw/zinc/23/24/23/352232423.db2.gz	BGKCVYPKJWGEAB-UHFFFAOYSA-N	1	2	291.311	-0.694	50	70		CBIALO
CC[C@H](Cn1cc[nH+]c1)NC(=O)CCn1cnnn1	ZINC000218717397	352236145	/nfs/dbraw/zinc/23/61/45/352236145.db2.gz	GCEFIJMVMHEVDE-SNVBAGLBSA-N	1	2	263.305	-0.145	50	70		CBIALO
CNC(=O)C[C@H]1C(=O)NCCN1Cc1[nH+]ccn1C(C)C	ZINC000217182982	352232324	/nfs/dbraw/zinc/23/23/24/352232324.db2.gz	WZMAMFCDJXMPGG-NSHDSACASA-N	1	2	293.371	-0.100	50	70		CBIALO
O=c1cc(C[N@H+]2CCCn3nc(CO)cc3C2)[nH]c(=O)[nH]1	ZINC000217029104	352232898	/nfs/dbraw/zinc/23/28/98/352232898.db2.gz	VWHQYMVXQJXLSP-UHFFFAOYSA-N	1	2	291.311	-0.842	50	70		CBIALO
O=c1cc(C[N@@H+]2CCCn3nc(CO)cc3C2)[nH]c(=O)[nH]1	ZINC000217029104	352232902	/nfs/dbraw/zinc/23/29/02/352232902.db2.gz	VWHQYMVXQJXLSP-UHFFFAOYSA-N	1	2	291.311	-0.842	50	70		CBIALO
CC[C@@H](Cn1cc[nH+]c1)NC(=O)CCn1cnnn1	ZINC000218717301	352235912	/nfs/dbraw/zinc/23/59/12/352235912.db2.gz	GCEFIJMVMHEVDE-JTQLQIEISA-N	1	2	263.305	-0.145	50	70		CBIALO
C[N@@H+]1CCN(C(=O)c2ccc(N)nc2)C[C@@H]1CO	ZINC000217586338	567947938	/nfs/dbraw/zinc/94/79/38/567947938.db2.gz	IVWSLPKSTLQABL-SNVBAGLBSA-N	1	2	250.302	-0.588	50	70		CBIALO
C[N@H+]1CCN(C(=O)c2ccc(N)nc2)C[C@@H]1CO	ZINC000217586338	567947939	/nfs/dbraw/zinc/94/79/39/567947939.db2.gz	IVWSLPKSTLQABL-SNVBAGLBSA-N	1	2	250.302	-0.588	50	70		CBIALO
CNC(=O)C[C@@H]1C(=O)NCCN1Cc1[nH+]ccn1C(C)C	ZINC000217182975	352232182	/nfs/dbraw/zinc/23/21/82/352232182.db2.gz	WZMAMFCDJXMPGG-LLVKDONJSA-N	1	2	293.371	-0.100	50	70		CBIALO
C[NH2+][C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)c1ccccc1	ZINC000218140768	352234965	/nfs/dbraw/zinc/23/49/65/352234965.db2.gz	GDUWYUZVQZLDII-SNVBAGLBSA-N	1	2	261.285	-0.325	50	70		CBIALO
C[N@@H+]1CCN(C(=O)c2ccc(N)nc2)C[C@H]1CO	ZINC000217586421	567947953	/nfs/dbraw/zinc/94/79/53/567947953.db2.gz	IVWSLPKSTLQABL-JTQLQIEISA-N	1	2	250.302	-0.588	50	70		CBIALO
C[N@H+]1CCN(C(=O)c2ccc(N)nc2)C[C@H]1CO	ZINC000217586421	567947955	/nfs/dbraw/zinc/94/79/55/567947955.db2.gz	IVWSLPKSTLQABL-JTQLQIEISA-N	1	2	250.302	-0.588	50	70		CBIALO
C[NH2+][C@H](C(=O)NCc1n[nH]c(=O)[nH]1)c1ccccc1	ZINC000218140848	352234896	/nfs/dbraw/zinc/23/48/96/352234896.db2.gz	GDUWYUZVQZLDII-JTQLQIEISA-N	1	2	261.285	-0.325	50	70		CBIALO
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C)COC1	ZINC000217027582	352232886	/nfs/dbraw/zinc/23/28/86/352232886.db2.gz	AHXNIAHHVRPMEW-NSHDSACASA-N	1	2	280.328	-0.390	50	70		CBIALO
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C)COC1	ZINC000217027582	352232890	/nfs/dbraw/zinc/23/28/90/352232890.db2.gz	AHXNIAHHVRPMEW-NSHDSACASA-N	1	2	280.328	-0.390	50	70		CBIALO
O=C(C[NH+]1CCCCCC1)NCc1n[nH]c(=O)[nH]1	ZINC000217777183	262344458	/nfs/dbraw/zinc/34/44/58/262344458.db2.gz	KYBBHLQVSLRLRF-UHFFFAOYSA-N	1	2	253.306	-0.410	50	70		CBIALO
CC[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)c1[nH]cc(C)[nH+]1	ZINC000217025116	352232248	/nfs/dbraw/zinc/23/22/48/352232248.db2.gz	GMDMXEKAOHMQNF-VIFPVBQESA-N	1	2	291.311	-0.014	50	70		CBIALO