smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@H]1C(c2ccccc2)=C(c2ccccc2)S[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-]	ZINC000035575619	569045240	/nfs/dbraw/zinc/04/52/40/569045240.db2.gz	RGLABPZDKNDTTA-LSQMVHIFSA-N	1	0	416.546	5.619	10	5		HKBERO
CN(C)[C@H]1C(c2ccccc2)=C(c2ccccc2)S[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	ZINC000035575626	569045277	/nfs/dbraw/zinc/04/52/77/569045277.db2.gz	RGLABPZDKNDTTA-ARNLJNQMSA-N	1	0	416.546	5.619	10	5		HKBERO
CCOP(=O)(CCCCCCCCCCCC[N+](CC)(CC)CC)OCC	ZINC000044960047	717129966	/nfs/dbraw/zinc/12/99/66/717129966.db2.gz	GYDVJHGQSAKDLK-UHFFFAOYSA-N	1	0	406.612	7.030	10	5		HKBERO
CC(C)CCCCCCCCCCCCCCC(=O)OC[C@H](O)C[N+](C)(C)C	ZINC000141801846	717152476	/nfs/dbraw/zinc/15/24/76/717152476.db2.gz	YNYSQVZIHWWRSF-HSZRJFAPSA-N	1	0	400.668	5.714	10	5		HKBERO
CC(C)CCCCCCCCCCCCCCC(=O)OC[C@@H](O)C[N+](C)(C)C	ZINC000141802077	717152468	/nfs/dbraw/zinc/15/24/68/717152468.db2.gz	YNYSQVZIHWWRSF-QHCPKHFHSA-N	1	0	400.668	5.714	10	5		HKBERO
CC(C)=CCC/C(C)=C/CC[C@H](C)/C=C/C(=O)NC[C@@H]1CC[N@+]2(C)CCCC[C@H]12	ZINC000255220313	717170959	/nfs/dbraw/zinc/17/09/59/717170959.db2.gz	IUUKDWXSYSAIGO-FECFPVQQSA-O	1	0	401.659	5.787	10	5	in-vitro	HKBERO
Cc1cc(C)c(OC[C@@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)c(C)c1	ZINC000256030249	717174659	/nfs/dbraw/zinc/17/46/59/717174659.db2.gz	LFEXFTCAANUMAI-DEOSSOPVSA-N	1	0	400.558	5.082	10	5		HKBERO
Cc1cc(C)c(OC[C@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)c(C)c1	ZINC000256030251	717174596	/nfs/dbraw/zinc/17/45/96/717174596.db2.gz	LFEXFTCAANUMAI-XMMPIXPASA-N	1	0	400.558	5.082	10	5		HKBERO
Cc1cc(C)c(OC[C@H](O)C[N+]2(Cc3ccccc3Cl)CCCCCC2)c(C)c1	ZINC000256030289	717174529	/nfs/dbraw/zinc/17/45/29/717174529.db2.gz	LTLUHFRGFVJNRR-HSZRJFAPSA-N	1	0	417.013	5.596	10	5		HKBERO
Cc1cc(C)c(OC[C@@H](O)C[N+]2(Cc3ccccc3Cl)CCCCCC2)c(C)c1	ZINC000256030290	717174559	/nfs/dbraw/zinc/17/45/59/717174559.db2.gz	LTLUHFRGFVJNRR-QHCPKHFHSA-N	1	0	417.013	5.596	10	5		HKBERO
Cc1ccc(C)c(C[N+]2(C[C@@H](O)COc3c(C)cc(C)cc3C)CCCCCC2)c1	ZINC000256030746	717174654	/nfs/dbraw/zinc/17/46/54/717174654.db2.gz	RKKVLARMQQGSFY-AREMUKBSSA-N	1	0	410.622	5.559	10	5		HKBERO
Cc1ccc(C)c(C[N+]2(C[C@H](O)COc3c(C)cc(C)cc3C)CCCCCC2)c1	ZINC000256030748	717174613	/nfs/dbraw/zinc/17/46/13/717174613.db2.gz	RKKVLARMQQGSFY-SANMLTNESA-N	1	0	410.622	5.559	10	5		HKBERO
CC(C)=CCC/C(C)=C\CC[C@H](C)/C=C/C(=O)NC[C@@H]1CC[N@+]2(C)CCCC[C@H]12	ZINC000257449160	717178541	/nfs/dbraw/zinc/17/85/41/717178541.db2.gz	IUUKDWXSYSAIGO-GVEADKPLSA-O	1	0	401.659	5.787	10	5		HKBERO
CC(C)=CCC/C(C)=C/CC[C@H](C)/C=C\C(=O)NC[C@@H]1CC[N@+]2(C)CCCC[C@H]12	ZINC000306146496	717181927	/nfs/dbraw/zinc/18/19/27/717181927.db2.gz	IUUKDWXSYSAIGO-DYMDUHCWSA-O	1	0	401.659	5.787	10	5		HKBERO
CC(C)=CCC/C(C)=C\CC[C@H](C)/C=C\C(=O)NC[C@@H]1CC[N@+]2(C)CCCC[C@H]12	ZINC000306146497	717181848	/nfs/dbraw/zinc/18/18/48/717181848.db2.gz	IUUKDWXSYSAIGO-YAAXXQTISA-O	1	0	401.659	5.787	10	5		HKBERO
CC(C)=CCC/C(C)=C/CC[C@@H](C)/C=C/C(=O)NC[C@H]1CC[N@+]2(C)CCCC[C@H]12	ZINC000575240726	717183931	/nfs/dbraw/zinc/18/39/31/717183931.db2.gz	IUUKDWXSYSAIGO-MCBYQCMYSA-O	1	0	401.659	5.787	10	5		HKBERO
CC(C)=CCC/C(C)=C/CC[C@@H](C)/C=C/C(=O)NC[C@@H]1CC[N@+]2(C)CCCC[C@H]12	ZINC000575240727	717183869	/nfs/dbraw/zinc/18/38/69/717183869.db2.gz	IUUKDWXSYSAIGO-QKGFYYMQSA-O	1	0	401.659	5.787	10	5		HKBERO
CC(C)=CCC/C(C)=C/CC[C@H](C)/C=C/C(=O)NC[C@H]1CC[N@+]2(C)CCCC[C@H]12	ZINC000575240728	717183946	/nfs/dbraw/zinc/18/39/46/717183946.db2.gz	IUUKDWXSYSAIGO-UVQZHPBPSA-O	1	0	401.659	5.787	10	5		HKBERO