smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cnn2c1[nH]c(CN1CC[NH+](CC(=O)N(C)C)CC1)cc2=O	ZINC000051740127	1072365222	/nfs/dbraw/zinc/36/52/22/1072365222.db2.gz	RFQLLLMZGMGBJB-UHFFFAOYSA-N	1	2	390.444	-0.183	20	10		GBCDLO
COc1ccc(N2CC[NH+](CCNC(=O)C(=O)NCC(=O)N(C)C)CC2)cc1	ZINC000275420129	1072281485	/nfs/dbraw/zinc/28/14/85/1072281485.db2.gz	CKYBULQOZVSZQR-UHFFFAOYSA-N	1	2	391.472	-0.862	20	10		GBCDLO
CCN(CCO)C(=O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000285766442	1072735483	/nfs/dbraw/zinc/73/54/83/1072735483.db2.gz	LEPCGVPORLANTI-UHFFFAOYSA-N	1	2	378.473	-0.226	20	10		GBCDLO
CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1)cc2=O	ZINC000376781773	1073116132	/nfs/dbraw/zinc/11/61/32/1073116132.db2.gz	BELDRKYBBVVUDV-LLVKDONJSA-N	1	2	383.430	-0.136	20	10		GBCDLO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1)cc2=O	ZINC000376781773	1073116123	/nfs/dbraw/zinc/11/61/23/1073116123.db2.gz	BELDRKYBBVVUDV-LLVKDONJSA-N	1	2	383.430	-0.136	20	10		GBCDLO
CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](S(N)(=O)=O)C1)cc2=O	ZINC000376781774	1073116611	/nfs/dbraw/zinc/11/66/11/1073116611.db2.gz	BELDRKYBBVVUDV-NSHDSACASA-N	1	2	383.430	-0.136	20	10		GBCDLO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1)cc2=O	ZINC000376781774	1073116607	/nfs/dbraw/zinc/11/66/07/1073116607.db2.gz	BELDRKYBBVVUDV-NSHDSACASA-N	1	2	383.430	-0.136	20	10		GBCDLO
COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCN(C)S3(=O)=O)CC2)cc1	ZINC000843776400	1073195299	/nfs/dbraw/zinc/19/52/99/1073195299.db2.gz	NVAUNRZSFUJPJL-KRWDZBQOSA-N	1	2	396.513	-0.033	20	10		GBCDLO
COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCN(C)S3(=O)=O)CC2)cc1	ZINC000843776401	1073195630	/nfs/dbraw/zinc/19/56/30/1073195630.db2.gz	NVAUNRZSFUJPJL-QGZVFWFLSA-N	1	2	396.513	-0.033	20	10		GBCDLO
COc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(O)c1OC	ZINC000891533983	1072175303	/nfs/dbraw/zinc/17/53/03/1072175303.db2.gz	IPACMMOZBAONAY-UHFFFAOYSA-N	1	2	393.440	-0.088	20	10		GBCDLO
CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)CCS(C)(=O)=O)[NH+](C)C)cc1	ZINC000934317002	1072317958	/nfs/dbraw/zinc/31/79/58/1072317958.db2.gz	SPMSXWOSHCWSFY-INIZCTEOSA-N	1	2	398.529	-0.026	20	10		GBCDLO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)CCS(C)(=O)=O)[NH+](C)C)cc1	ZINC000934317003	1072318546	/nfs/dbraw/zinc/31/85/46/1072318546.db2.gz	SPMSXWOSHCWSFY-MRXNPFEDSA-N	1	2	398.529	-0.026	20	10		GBCDLO
O=C(CN1C(=O)CSC1=S)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2	ZINC001269897583	1072662466	/nfs/dbraw/zinc/66/24/66/1072662466.db2.gz	GFNMRMBUBNBQIV-BETUJISGSA-N	1	2	395.510	-0.345	20	10		GBCDLO
O=C(CN1C(=O)CSC1=S)N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2	ZINC001269897583	1072662463	/nfs/dbraw/zinc/66/24/63/1072662463.db2.gz	GFNMRMBUBNBQIV-BETUJISGSA-N	1	2	395.510	-0.345	20	10		GBCDLO
O=C(CN1C(=O)CSC1=S)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1	ZINC001269897692	1072662589	/nfs/dbraw/zinc/66/25/89/1072662589.db2.gz	IGJBAJXYUVXOTP-BETUJISGSA-N	1	2	395.510	-0.345	20	10		GBCDLO
CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)CN1C(=O)CSC1=S)C2	ZINC001269898674	1072663374	/nfs/dbraw/zinc/66/33/74/1072663374.db2.gz	YTCWADFRCPRNEB-UHFFFAOYSA-N	1	2	384.527	-0.141	20	10		GBCDLO
O=C(CN1C(=O)CSC1=S)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1	ZINC001269898703	1072663530	/nfs/dbraw/zinc/66/35/30/1072663530.db2.gz	ZPBLSZABGJQHDC-OLZOCXBDSA-N	1	2	395.510	-0.345	20	10		GBCDLO
O=C(CN1C(=O)CSC1=S)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1	ZINC001269898704	1072663516	/nfs/dbraw/zinc/66/35/16/1072663516.db2.gz	ZPBLSZABGJQHDC-STQMWFEESA-N	1	2	395.510	-0.345	20	10		GBCDLO
CN(C)C(=O)[C@@H]1CN(C(=O)CN2C(=O)CSC2=S)C[C@H]1c1cn(C)c[nH+]1	ZINC001271840946	1073605190	/nfs/dbraw/zinc/60/51/90/1073605190.db2.gz	DFHLAXHGYZXLCB-GHMZBOCLSA-N	1	2	395.510	-0.089	20	10		GBCDLO