smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)c(C)c1	ZINC000003892250	570328627	/nfs/dbraw/zinc/32/86/27/570328627.db2.gz	IEVGATZJBLRGMA-UHFFFAOYSA-N	1	0	298.389	5.748	50	10		CKCARO
Cc1cccc(Nc2c3ccccc3[nH+]c3ccccc32)c1	ZINC000003896839	169921846	/nfs/dbraw/zinc/92/18/46/169921846.db2.gz	ZLGLISLOMNTCQB-UHFFFAOYSA-N	1	0	284.362	5.440	50	10		CKCARO
c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000003899979	570384400	/nfs/dbraw/zinc/38/44/00/570384400.db2.gz	LNVQBBHYPGFSMX-UHFFFAOYSA-N	1	0	270.335	5.132	50	10		CKCARO
CCc1ccccc1Nc1c2ccccc2[nH+]c2ccccc21	ZINC000003953563	169926116	/nfs/dbraw/zinc/92/61/16/169926116.db2.gz	DWLAHKOXIWDSBT-UHFFFAOYSA-N	1	0	298.389	5.694	50	10		CKCARO
Cc1ccccc1Nc1c2ccccc2[nH+]c2ccccc21	ZINC000003953567	567182314	/nfs/dbraw/zinc/18/23/14/567182314.db2.gz	XHEJSUGYAUCWQH-UHFFFAOYSA-N	1	0	284.362	5.440	50	10		CKCARO
Cc1cccc2c(Nc3ccccc3)c3ccccc3[nH+]c12	ZINC000004181017	567855881	/nfs/dbraw/zinc/85/58/81/567855881.db2.gz	LMMUAKMOXPUBDN-UHFFFAOYSA-N	1	0	284.362	5.440	50	10		CKCARO
C[N+](C)(C)c1ccc(/C=C/C=C/C=C/c2ccccc2)cc1	ZINC000004521449	567857768	/nfs/dbraw/zinc/85/77/68/567857768.db2.gz	RHDOPAJODJADMB-NDYXBGDESA-N	1	0	290.430	5.166	50	10	in-vitro	CKCARO
CN(c1ccccc1)c1c2ccccc2[nH+]c2ccccc21	ZINC000004531840	570331912	/nfs/dbraw/zinc/33/19/12/570331912.db2.gz	QFDWBAUFLAKSKK-UHFFFAOYSA-N	1	0	284.362	5.156	50	10		CKCARO
Cc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000004714732	170004030	/nfs/dbraw/zinc/00/40/30/170004030.db2.gz	KTFWKOXVMZSFHO-UHFFFAOYSA-N	1	0	284.362	5.440	50	10		CKCARO
c1ccc2c(c1)[nH+]c1ccccc1c2NC1CCCCC1	ZINC000004765607	170013466	/nfs/dbraw/zinc/01/34/66/170013466.db2.gz	QGQNYQWNUGSMAB-UHFFFAOYSA-N	1	0	276.383	5.133	50	10		CKCARO
Cc1cccc2c1[nH+]c1ccccc1c2N(C)c1ccccc1	ZINC000004981641	170048611	/nfs/dbraw/zinc/04/86/11/170048611.db2.gz	CYCLPASDCGWCLS-UHFFFAOYSA-N	1	0	298.389	5.464	50	10		CKCARO
c1ccc(CNc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000009082847	170363056	/nfs/dbraw/zinc/36/30/56/170363056.db2.gz	BCTFNTVNBAELQN-UHFFFAOYSA-N	1	0	284.362	5.000	50	10		CKCARO
C[N+](C)(C)c1ccc(/N=N/c2cccc3ccccc32)cc1	ZINC000096191710	567141916	/nfs/dbraw/zinc/14/19/16/567141916.db2.gz	HXAJIEHQDHKMGS-QZQOTICOSA-N	1	0	290.390	5.452	50	10		CKCARO
C[N+](C)(C)c1ccc(/N=N/c2ccc3ccccc3c2)cc1	ZINC000096191713	567141320	/nfs/dbraw/zinc/14/13/20/567141320.db2.gz	RCYQYPLEKYOESU-QZQOTICOSA-N	1	0	290.390	5.452	50	10		CKCARO