smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCCC[NH2+]CCN(CC[NH3+])CC[NH3+]	ZINC000023257062	204799476	/nfs/dbraw/zinc/79/94/76/204799476.db2.gz	SSPAUUPEHXJMBE-UHFFFAOYSA-N	3	0	370.670	4.277	1	30		FIEFRP
CN(C)c1ccc(/C=[NH+]/CCCC/[NH+]=C/c2ccc(N(C)C)cc2)cc1	ZINC000103279721	205992126	/nfs/dbraw/zinc/99/21/26/205992126.db2.gz	ZOOYPLZCQSLGOI-GJHDBBOXSA-N	2	0	350.510	4.137	1	30		FIEFRP
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@@]2(CC[C@@H]1CC[C@H](C[NH2+]C)C1)[C@H]([NH3+])C=O	ZINC000085544930	291079312	/nfs/dbraw/zinc/07/93/12/291079312.db2.gz	GIYAHDCKVSHGMU-JOANNUDWSA-N	2	0	372.597	4.173	1	30	biogenic,in-vitro	FIEFRP
CCCCCCCCCCCCCC[C@@H]([NH3+])C(=O)N(O)CC[N+](C)(C)C	ZINC000064573166	205299868	/nfs/dbraw/zinc/29/98/68/205299868.db2.gz	GNCQKWDLAZKFAV-HXUWFJFHSA-N	2	0	372.618	4.329	1	30		FIEFRP
CN(c1ccccc1)[C@@H]1c2ccccc2NC(=[NH+]CCCC[NH3+])C1(C)C	ZINC000013678604	220085165	/nfs/dbraw/zinc/08/51/65/220085165.db2.gz	PSUQUCUASWFFCH-HXUWFJFHSA-N	2	0	350.510	4.453	1	30		FIEFRP
N#Cc1ccc(C2CC[NH+](CC[C@H]([NH3+])Cc3ccc(Cl)s3)CC2)cc1	ZINC000045302696	208328873	/nfs/dbraw/zinc/32/88/73/208328873.db2.gz	AMTDKGXGOJKPOX-SFHVURJKSA-N	2	0	373.953	4.413	1	30		FIEFRP
CN(c1ccccc1)[C@H]1c2ccccc2NC(=[NH+]CCCC[NH3+])C1(C)C	ZINC000013678606	211048275	/nfs/dbraw/zinc/04/82/75/211048275.db2.gz	PSUQUCUASWFFCH-FQEVSTJZSA-N	2	0	350.510	4.453	1	30		FIEFRP
CNc1ccc([C@H]2c3ccccc3NC(=[NH+]CCCC[NH3+])C2(C)C)cc1	ZINC000013678617	211049572	/nfs/dbraw/zinc/04/95/72/211049572.db2.gz	DTQCHPMLUUYVOI-FQEVSTJZSA-N	2	0	350.510	4.449	1	30		FIEFRP
CCCCCCCCCCCCCC[C@H]([NH3+])C(=O)N(O)CC[N+](C)(C)C	ZINC000064573164	212040526	/nfs/dbraw/zinc/04/05/26/212040526.db2.gz	GNCQKWDLAZKFAV-FQEVSTJZSA-N	2	0	372.618	4.329	1	30		FIEFRP
CCCCCCCCCNC1=[NH+]C(C)(C)[NH+]=C(NCc2ccc(C)cc2)N1	ZINC000049867742	221028083	/nfs/dbraw/zinc/02/80/83/221028083.db2.gz	NVPRNAUOZDUTGA-UHFFFAOYSA-N	2	0	371.573	4.476	1	30		FIEFRP
CCCCCCCCNC1=[NH+]C(C)(C)[NH+]=C(NCc2ccc(C)cc2)N1	ZINC000019332455	220251866	/nfs/dbraw/zinc/25/18/66/220251866.db2.gz	FDBPFNJGHVWGRJ-UHFFFAOYSA-N	2	0	357.546	4.086	1	30		FIEFRP
CNc1ccc([C@@H]2c3ccccc3NC(=[NH+]CCCC[NH3+])C2(C)C)cc1	ZINC000013678616	220084673	/nfs/dbraw/zinc/08/46/73/220084673.db2.gz	DTQCHPMLUUYVOI-HXUWFJFHSA-N	2	0	350.510	4.449	1	30		FIEFRP