smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CC(C)(C)C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ccc(C#N)nc2)n1	ZINC000585293456	568746402	/nfs/dbraw/zinc/74/64/02/568746402.db2.gz	HQXXCSMRKOXZDV-NRFANRHFSA-N	2	2	407.566	3.992	40	30		HHEBLP
CC[NH+](CC)CC(C)(C)C[N@H+]1CCC[C@H]1c1ccnc(Nc2ccc(C#N)nc2)n1	ZINC000585293456	568746404	/nfs/dbraw/zinc/74/64/04/568746404.db2.gz	HQXXCSMRKOXZDV-NRFANRHFSA-N	2	2	407.566	3.992	40	30		HHEBLP
C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CC[NH+](Cc1ccccc1)C2	ZINC000008560196	569389812	/nfs/dbraw/zinc/38/98/12/569389812.db2.gz	UYVZNYSAHOYQDK-KRWDZBQOSA-N	2	2	408.571	3.991	40	30		HHEBLP
C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CC[NH+](Cc1ccccc1)C2	ZINC000008560196	569389814	/nfs/dbraw/zinc/38/98/14/569389814.db2.gz	UYVZNYSAHOYQDK-KRWDZBQOSA-N	2	2	408.571	3.991	40	30		HHEBLP
C[C@H]1CCCC[NH+]1CC(=O)Nc1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2	ZINC000008560196	569389816	/nfs/dbraw/zinc/38/98/16/569389816.db2.gz	UYVZNYSAHOYQDK-KRWDZBQOSA-N	2	2	408.571	3.991	40	30		HHEBLP
C[C@H]1CCCC[NH+]1CC(=O)Nc1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2	ZINC000008560196	569389818	/nfs/dbraw/zinc/38/98/18/569389818.db2.gz	UYVZNYSAHOYQDK-KRWDZBQOSA-N	2	2	408.571	3.991	40	30		HHEBLP
CC[NH+](CC)CC(C)(C)C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ccc(C#N)nc2)n1	ZINC000585293460	568747234	/nfs/dbraw/zinc/74/72/34/568747234.db2.gz	HQXXCSMRKOXZDV-OAQYLSRUSA-N	2	2	407.566	3.992	40	30		HHEBLP
CC[NH+](CC)CC(C)(C)C[N@H+]1CCC[C@@H]1c1ccnc(Nc2ccc(C#N)nc2)n1	ZINC000585293460	568747235	/nfs/dbraw/zinc/74/72/35/568747235.db2.gz	HQXXCSMRKOXZDV-OAQYLSRUSA-N	2	2	407.566	3.992	40	30		HHEBLP
N#Cc1c2c(sc1NC(=O)C[NH+]1CCCCCC1)C[N@H+](Cc1ccccc1)CC2	ZINC000008560198	569389825	/nfs/dbraw/zinc/38/98/25/569389825.db2.gz	RNTIEHKDHIRARE-UHFFFAOYSA-N	2	2	408.571	3.993	40	30		HHEBLP
N#Cc1c2c(sc1NC(=O)C[NH+]1CCCCCC1)C[N@@H+](Cc1ccccc1)CC2	ZINC000008560198	569389827	/nfs/dbraw/zinc/38/98/27/569389827.db2.gz	RNTIEHKDHIRARE-UHFFFAOYSA-N	2	2	408.571	3.993	40	30		HHEBLP
C=CCN(C)C(=O)[C@@H]1Cc2cn(Cc3[nH+]ccn3C)c3cccc(c23)[C@H](CC(C)C)[NH2+]1	ZINC000049171994	518742566	/nfs/dbraw/zinc/74/25/66/518742566.db2.gz	OUYIPTBGZYEPDD-SFTDATJTSA-N	2	2	419.573	3.669	40	30	biogenic,in-vitro	HHEBLP
CCCCCCCCc1cc(C[NH+]2CCOCC2)c(O)c(C[NH+]2CCOCC2)c1	ZINC000104333555	559160532	/nfs/dbraw/zinc/16/05/32/559160532.db2.gz	NZNRJOCKUYTGSA-UHFFFAOYSA-N	2	2	404.595	3.960	40	30		HHEBLP
C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCC[NH+]2CCC(C)CC2)CC1	ZINC000012116484	568993743	/nfs/dbraw/zinc/99/37/43/568993743.db2.gz	GPOFUVOMZHOLPA-UHFFFAOYSA-N	2	2	423.605	3.677	40	30		HHEBLP
C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5c(c4)NC(=C4C=CC(=O)C=C4)N5)[nH+]c3c2)CC1	ZINC000022912997	523926935	/nfs/dbraw/zinc/92/69/35/523926935.db2.gz	ADHLSOGCYJHJBG-UHFFFAOYSA-N	2	2	424.508	3.726	40	30		HHEBLP
C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CC[NH+](Cc1ccccc1)C2	ZINC000008560194	569389853	/nfs/dbraw/zinc/38/98/53/569389853.db2.gz	UYVZNYSAHOYQDK-QGZVFWFLSA-N	2	2	408.571	3.991	40	30		HHEBLP
C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CC[NH+](Cc1ccccc1)C2	ZINC000008560194	569389855	/nfs/dbraw/zinc/38/98/55/569389855.db2.gz	UYVZNYSAHOYQDK-QGZVFWFLSA-N	2	2	408.571	3.991	40	30		HHEBLP
C[C@@H]1CCCC[NH+]1CC(=O)Nc1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2	ZINC000008560194	569389856	/nfs/dbraw/zinc/38/98/56/569389856.db2.gz	UYVZNYSAHOYQDK-QGZVFWFLSA-N	2	2	408.571	3.991	40	30		HHEBLP
C[C@@H]1CCCC[NH+]1CC(=O)Nc1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2	ZINC000008560194	569389858	/nfs/dbraw/zinc/38/98/58/569389858.db2.gz	UYVZNYSAHOYQDK-QGZVFWFLSA-N	2	2	408.571	3.991	40	30		HHEBLP