smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@]12C(=O)O[C@@](C)(C(=O)OCC3=CC[N+]4(C)CC[C@@H](OC1=O)[C@@]34O)[C@H]2C	ZINC000014685687	717110613	/nfs/dbraw/zinc/11/06/13/717110613.db2.gz	ZNDNHSZHGPQSBN-XDTIFLRMSA-N	1	0	380.417	0.282	1	5		GCBFRO
COCCOCCOCCOCCOCCOC(=O)N1CC[N+](C)(C)CC1	ZINC000071281510	717132880	/nfs/dbraw/zinc/13/28/80/717132880.db2.gz	ZKCYKPJQTPNHHY-UHFFFAOYSA-N	1	0	393.501	0.228	1	5		GCBFRO
Cc1cn([C@@H]2C[C@H](O)[C@@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O	ZINC000095574670	211278892	/nfs/dbraw/zinc/27/88/92/211278892.db2.gz	HJVWITJMTXLGAA-ZNMIVQPWSA-N	1	0	376.369	0.191	1	5		GCBFRO
CC(=O)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[N@@H+]2CC[C@H](O)C2)C1	ZINC000026294611	207311460	/nfs/dbraw/zinc/31/14/60/207311460.db2.gz	ORHHLDSDCYBOHB-MSOLQXFVSA-N	1	0	390.440	0.263	1	5		GCBFRO
C[N+]12CCC(CC1)[C@@H](OC(=O)[C@@](O)(CN1CCOCC1)c1ccccc1)C2	ZINC000013887357	221292991	/nfs/dbraw/zinc/29/29/91/221292991.db2.gz	PEJQOLIYRGKUPV-WXRJQMCZSA-N	1	0	375.489	0.988	1	5		GCBFRO
CC[NH+](CC)CCn1c2nc3c(c(=O)n(C)c(=O)n3C)n2c2ccccc2c1=O	ZINC000001645477	212253092	/nfs/dbraw/zinc/25/30/92/212253092.db2.gz	BBXZOBBJFMADFW-UHFFFAOYSA-N	1	0	396.451	0.542	1	5		GCBFRO
CC(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[N@@H+]2CC[C@H](O)C2)C1	ZINC000026379049	207313651	/nfs/dbraw/zinc/31/36/51/207313651.db2.gz	PEQOZYFAQULPER-ROUUACIJSA-N	1	0	390.440	0.263	1	5		GCBFRO
C[N+]12CCC(CC1)[C@H](OC(=O)[C@@](O)(CN1CCOCC1)c1ccccc1)C2	ZINC000043007562	717128502	/nfs/dbraw/zinc/12/85/02/717128502.db2.gz	PEJQOLIYRGKUPV-KLIVXEDGSA-N	1	0	375.489	0.988	1	5		GCBFRO
C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(CN1CCOCC1)c1ccccc1)C2	ZINC000013887358	221293431	/nfs/dbraw/zinc/29/34/31/221293431.db2.gz	PEJQOLIYRGKUPV-NKCVSLKMSA-N	1	0	375.489	0.988	1	5		GCBFRO
C[N+]12CCC(CC1)[C@H](OC(=O)[C@](O)(CN1CCOCC1)c1ccccc1)C2	ZINC000013887359	221292781	/nfs/dbraw/zinc/29/27/81/221292781.db2.gz	PEJQOLIYRGKUPV-LZUQRKAGSA-N	1	0	375.489	0.988	1	5		GCBFRO
COCCOCCOCCOCCOCCOC(=O)NCC[N+](C)(C)C	ZINC000071295266	717132967	/nfs/dbraw/zinc/13/29/67/717132967.db2.gz	ULFQZGDYXZCTQQ-UHFFFAOYSA-O	1	0	381.490	0.132	1	5		GCBFRO