smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]CCC[NH2+]Cc1ccc(N)cc1	83342052	1169114020	/nfs/dbraw/zinc/11/40/20/1169114020.db2.gz	CWWCOHBYULAVFC-UHFFFAOYSA-N	2	0	193.294	0.968	20	10		ACCDRP
C[C@H](C[NH3+])NCc1ccc(N)cc1	1334753952	1170342843	/nfs/dbraw/zinc/34/28/43/1170342843.db2.gz	KCKNGQVGCZMDLA-MRVPVSSYSA-N	2	0	179.267	0.706	20	10		ACCDRP
Nc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1	1334798310	1170343112	/nfs/dbraw/zinc/34/31/12/1170343112.db2.gz	VNVUXYHTRIPAFU-XYPYZODXSA-N	2	0	191.278	0.848	20	10		ACCDRP
CN(CC[NH3+])Cc1ccc(N)cc1	1334755090	1170345169	/nfs/dbraw/zinc/34/51/69/1170345169.db2.gz	VJQDVJWUTVGJEE-UHFFFAOYSA-N	2	0	179.267	0.659	20	10		ACCDRP
Nc1ccc(C[NH2+]C2CC([NH3+])C2)cc1	1336326417	1170370948	/nfs/dbraw/zinc/37/09/48/1170370948.db2.gz	VNVUXYHTRIPAFU-UHFFFAOYSA-N	2	0	191.278	0.848	20	10		ACCDRP
C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N)cc1	1356082858	1170554970	/nfs/dbraw/zinc/55/49/70/1170554970.db2.gz	FZHJLKMJJOZMKW-VIFPVBQESA-N	2	0	193.294	0.953	20	10		ACCDRP
C[C@H](C[NH3+])C[NH2+]Cc1ccc(N)cc1	1356082857	1170555724	/nfs/dbraw/zinc/55/57/24/1170555724.db2.gz	FZHJLKMJJOZMKW-SECBINFHSA-N	2	0	193.294	0.953	20	10		ACCDRP
C[NH2+]CCNCc1ccccc1O	238342372	572578977	/nfs/dbraw/zinc/57/89/77/572578977.db2.gz	WJFAELMFWVJWPA-UHFFFAOYSA-N	2	0	180.251	0.701	20	10		ACCDRP
[NH3+]C1(C[NH2+]Cc2ccccc2O)CC1	904449292	582639061	/nfs/dbraw/zinc/63/90/61/582639061.db2.gz	IIZMZVYGMZJPAI-UHFFFAOYSA-N	2	0	192.262	0.973	20	10		ACCDRP
[NH3+]C1CC([NH2+]Cc2ccccc2O)C1	162941939	697668533	/nfs/dbraw/zinc/66/85/33/697668533.db2.gz	UGLLTXSSWXPYIO-UHFFFAOYSA-N	2	0	192.262	0.972	20	10		ACCDRP
[NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1	906508671	630753009	/nfs/dbraw/zinc/75/30/09/630753009.db2.gz	UGLLTXSSWXPYIO-MGCOHNPYSA-N	2	0	192.262	0.972	20	10		ACCDRP