smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)C2(C4=CC=CC4)CCCCCC2)C3)cc[nH+]1	ZINC000103288757	717146611	/nfs/dbraw/zinc/14/66/11/717146611.db2.gz	QUAIUSNOIOELSW-XCCMJPSHSA-N	2	2	449.659	5.702	1	5		IKBFLP
C[C@H]([C@@H](c1ccc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1)n1cc[nH+]c1)[NH+](C)C	ZINC000028345059	563053065	/nfs/dbraw/zinc/05/30/65/563053065.db2.gz	ATRBKKFCGWCOAE-CJAUYULYSA-N	2	2	430.508	5.063	1	5		IKBFLP
C[C@@H]([C@H](c1ccc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1)n1cc[nH+]c1)[NH+](C)C	ZINC000028345065	563053048	/nfs/dbraw/zinc/05/30/48/563053048.db2.gz	ATRBKKFCGWCOAE-AVRWGWEMSA-N	2	2	430.508	5.063	1	5		IKBFLP
C[C@@H]([C@@H](c1ccc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1)n1cc[nH+]c1)[NH+](C)C	ZINC000028345051	563052950	/nfs/dbraw/zinc/05/29/50/563052950.db2.gz	ATRBKKFCGWCOAE-BVZFJXPGSA-N	2	2	430.508	5.063	1	5		IKBFLP
C[C@H]([C@H](c1ccc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1)n1cc[nH+]c1)[NH+](C)C	ZINC000028345071	563053058	/nfs/dbraw/zinc/05/30/58/563053058.db2.gz	ATRBKKFCGWCOAE-IQGLISFBSA-N	2	2	430.508	5.063	1	5		IKBFLP
CC[NH+](CC)CCOc1cc2[nH+]c3cc(OCC[NH+](CC)CC)c(C)cc3cc2cc1C	ZINC000029404098	563079427	/nfs/dbraw/zinc/07/94/27/563079427.db2.gz	LOAXFNPOHVTYOT-UHFFFAOYSA-N	3	2	437.628	5.446	1	5		IKBFLP
CC[NH+](CC)CCCOc1ccc2cc3ccc(OCCC[NH+](CC)CC)cc3[nH+]c2c1	ZINC000029413665	563079918	/nfs/dbraw/zinc/07/99/18/563079918.db2.gz	LMIYQXPRAFDODK-UHFFFAOYSA-N	3	2	437.628	5.609	1	5		IKBFLP