smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCS(=O)(=O)C1	ZINC000217211938	416327650	/nfs/dbraw/zinc/32/76/50/416327650.db2.gz	XDEGGNYPFNKZQW-VIFPVBQESA-N	-1	1	321.358	0.182	50	70		DCIAMM
O=C(Cc1cnc2[n-]cnn2c1=O)N[C@H](CO)c1ccccc1	ZINC000218443565	395843264	/nfs/dbraw/zinc/84/32/64/395843264.db2.gz	IAPLIJLYRSODOD-GFCCVEGCSA-N	-1	1	313.317	0.222	50	70		DCIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2ccccc2[nH]c1=O	ZINC000218191885	201534046	/nfs/dbraw/zinc/53/40/46/201534046.db2.gz	ZMVBRRPIYATAAT-JTQLQIEISA-N	-1	1	312.329	0.860	50	70		DCIAMM
COc1cc([C@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc(OC)c1O	ZINC000218294587	395841982	/nfs/dbraw/zinc/84/19/82/395841982.db2.gz	BIEAXSIEBADICT-VIFPVBQESA-N	-1	1	321.333	0.742	50	70		DCIAMM
Cn1cc([C@H](NC(=O)c2ccc([O-])cn2)C2CC(O)C2)cn1	ZINC000218511006	395842942	/nfs/dbraw/zinc/84/29/42/395842942.db2.gz	BEOPMVVNCQLPCU-WIQPZXRYSA-N	-1	1	302.334	0.763	50	70		DCIAMM
COc1cc([C@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc2c1OCO2	ZINC000218418461	395842751	/nfs/dbraw/zinc/84/27/51/395842751.db2.gz	ABKCFTIWLIKZPM-VIFPVBQESA-N	-1	1	319.317	0.756	50	70		DCIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cc2ccccc2[nH]c1=O	ZINC000218191814	395842312	/nfs/dbraw/zinc/84/23/12/395842312.db2.gz	ZMVBRRPIYATAAT-SNVBAGLBSA-N	-1	1	312.329	0.860	50	70		DCIAMM
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000218554876	337383667	/nfs/dbraw/zinc/38/36/67/337383667.db2.gz	JWTSTCHMGGLVRT-BXKDBHETSA-N	-1	1	321.381	0.182	50	70		DCIAMM
COc1cc([C@@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc(OC)c1O	ZINC000218294631	395842374	/nfs/dbraw/zinc/84/23/74/395842374.db2.gz	BIEAXSIEBADICT-SECBINFHSA-N	-1	1	321.333	0.742	50	70		DCIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2c(c1)OCCO2	ZINC000218324057	395842336	/nfs/dbraw/zinc/84/23/36/395842336.db2.gz	QSHDZXLQLVKKTO-JTQLQIEISA-N	-1	1	303.318	0.790	50	70		DCIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccccc1	ZINC000218303287	395842256	/nfs/dbraw/zinc/84/22/56/395842256.db2.gz	XGLDVERUGDHSIX-LLVKDONJSA-N	-1	1	317.345	0.816	50	70		DCIAMM
COc1cc([C@@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc2c1OCO2	ZINC000218418540	395843243	/nfs/dbraw/zinc/84/32/43/395843243.db2.gz	ABKCFTIWLIKZPM-SECBINFHSA-N	-1	1	319.317	0.756	50	70		DCIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccccc1	ZINC000218303339	395842285	/nfs/dbraw/zinc/84/22/85/395842285.db2.gz	XGLDVERUGDHSIX-NSHDSACASA-N	-1	1	317.345	0.816	50	70		DCIAMM
Cn1cc([C@H](NC(=O)c2ncccc2[O-])C2CC(O)C2)cn1	ZINC000218602258	257273855	/nfs/dbraw/zinc/27/38/55/257273855.db2.gz	NAGPRYJYYMHOGF-QEIKUCIBSA-N	-1	1	302.334	0.763	50	70		DCIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2c(c1)OCCO2	ZINC000218323990	395842030	/nfs/dbraw/zinc/84/20/30/395842030.db2.gz	QSHDZXLQLVKKTO-SNVBAGLBSA-N	-1	1	303.318	0.790	50	70		DCIAMM
Cn1cc([C@@H](NC(=O)c2ccc([O-])cn2)C2CC(O)C2)cn1	ZINC000218510925	395842953	/nfs/dbraw/zinc/84/29/53/395842953.db2.gz	BEOPMVVNCQLPCU-ASYNLNLVSA-N	-1	1	302.334	0.763	50	70		DCIAMM
Cn1cc([C@@H](NC(=O)c2ncccc2[O-])C2CC(O)C2)cn1	ZINC000218602188	257274158	/nfs/dbraw/zinc/27/41/58/257274158.db2.gz	NAGPRYJYYMHOGF-OCTTZUBCSA-N	-1	1	302.334	0.763	50	70		DCIAMM