smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3nccs3)c2c1	ZINC000005488324	563534677	/nfs/dbraw/zinc/53/46/77/563534677.db2.gz	ASOFDWBPCAKCCH-UHFFFAOYSA-N	1	1	341.823	5.250	40	10		EKCBMO
NC(=[NH2+])c1ccc([N-][NH+]=C2C=C(N=Nc3ccccc3)C=CC2=O)cc1	ZINC000005518718	563536513	/nfs/dbraw/zinc/53/65/13/563536513.db2.gz	NKLDVTYKPPGNGG-BQASJOSNSA-N	1	1	344.378	5.507	40	10	in-vivo	EKCBMO
Cc1ccccc1/N=N/c1ccc(/N=N/c2ccc(N)[nH+]c2N)c(C)c1	ZINC000018153169	563849628	/nfs/dbraw/zinc/84/96/28/563849628.db2.gz	ZWQHEBNEUHKFCC-QSZPNPOGSA-N	1	1	345.410	5.694	40	10		EKCBMO
Cc1ccc(C)n1-c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1	ZINC000072216788	563985588	/nfs/dbraw/zinc/98/55/88/563985588.db2.gz	SVAYTTYVPQLFDH-QFIPXVFZSA-N	1	1	345.490	5.216	40	10		EKCBMO
Cc1ccc(C)n1-c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1	ZINC000072216789	563985564	/nfs/dbraw/zinc/98/55/64/563985564.db2.gz	SVAYTTYVPQLFDH-JOCHJYFZSA-N	1	1	345.490	5.216	40	10		EKCBMO
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000072216848	563985558	/nfs/dbraw/zinc/98/55/58/563985558.db2.gz	BJBKWCHCRNDHCF-QFIPXVFZSA-N	1	1	345.490	5.216	40	10		EKCBMO
Cc1ccc(C)n1-c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000072216849	563985568	/nfs/dbraw/zinc/98/55/68/563985568.db2.gz	BJBKWCHCRNDHCF-JOCHJYFZSA-N	1	1	345.490	5.216	40	10		EKCBMO
Cc1ccccc1/N=N/c1ccc(/N=N\c2ccc(N)[nH+]c2N)c(C)c1	ZINC000104229766	219363255	/nfs/dbraw/zinc/36/32/55/219363255.db2.gz	ZWQHEBNEUHKFCC-RIIXPHEHSA-N	1	1	345.410	5.694	40	10		EKCBMO
Cc1ccccc1/N=N\c1ccc(/N=N/c2ccc(N)[nH+]c2N)c(C)c1	ZINC000104229772	219363530	/nfs/dbraw/zinc/36/35/30/219363530.db2.gz	ZWQHEBNEUHKFCC-HXEHWPEMSA-N	1	1	345.410	5.694	40	10		EKCBMO
NC(=[NH2+])c1ccc([N-][NH+]=C2C=C(N=Nc3ccccc3)C=CC2=O)cc1	ZINC000104231116	219363363	/nfs/dbraw/zinc/36/33/63/219363363.db2.gz	NKLDVTYKPPGNGG-HKOLQMFGSA-N	1	1	344.378	5.507	40	10		EKCBMO
NC(=[NH2+])c1ccc([N-][NH+]=C2C=C(N=Nc3ccccc3)C=CC2=O)cc1	ZINC000104231119	219363074	/nfs/dbraw/zinc/36/30/74/219363074.db2.gz	NKLDVTYKPPGNGG-KUXGFVDGSA-N	1	1	344.378	5.507	40	10		EKCBMO
NC(=[NH2+])c1ccc([N-][NH+]=C2C=C(N=Nc3ccccc3)C=CC2=O)cc1	ZINC000104231123	204101166	/nfs/dbraw/zinc/10/11/66/204101166.db2.gz	NKLDVTYKPPGNGG-XNMKTSCDSA-N	1	1	344.378	5.507	40	10		EKCBMO