smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000020635734	568638571	/nfs/dbraw/zinc/63/85/71/568638571.db2.gz	REAYXCQRRHUBHI-GFCCVEGCSA-N	1	2	413.394	0.868	40	5		HCBBLO
Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000020635737	568638682	/nfs/dbraw/zinc/63/86/82/568638682.db2.gz	REAYXCQRRHUBHI-LBPRGKRZSA-N	1	2	413.394	0.868	40	5		HCBBLO
Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000020635751	568638649	/nfs/dbraw/zinc/63/86/49/568638649.db2.gz	CIYOGOGJCFSCFY-SNVBAGLBSA-N	1	2	413.394	0.868	40	5		HCBBLO
Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000020635754	568638597	/nfs/dbraw/zinc/63/85/97/568638597.db2.gz	CIYOGOGJCFSCFY-JTQLQIEISA-N	1	2	413.394	0.868	40	5		HCBBLO
Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000020674125	568639580	/nfs/dbraw/zinc/63/95/80/568639580.db2.gz	FEVKVSDPDMNTMF-GFCCVEGCSA-N	1	2	413.394	0.868	40	5		HCBBLO
Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000020674128	568639570	/nfs/dbraw/zinc/63/95/70/568639570.db2.gz	FEVKVSDPDMNTMF-LBPRGKRZSA-N	1	2	413.394	0.868	40	5		HCBBLO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000025778592	569349952	/nfs/dbraw/zinc/34/99/52/569349952.db2.gz	FYFCFLFOKFSHEO-UHFFFAOYSA-N	1	2	400.457	0.118	40	5		HCBBLO
COCc1nnc(-n2ccc3nc4ccn(CCC[NH+](C)C)c(=O)c4cc3c2=O)[nH]1	ZINC000040398985	523161960	/nfs/dbraw/zinc/16/19/60/523161960.db2.gz	STCMFIJDGQPRCM-UHFFFAOYSA-N	1	2	409.450	0.917	40	5		HCBBLO
Cc1c(N(CC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220031846	568501433	/nfs/dbraw/zinc/50/14/33/568501433.db2.gz	XZLOFCNGIBEPPN-UHFFFAOYSA-N	1	2	400.457	0.118	40	5		HCBBLO
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000220391822	559068888	/nfs/dbraw/zinc/06/88/88/559068888.db2.gz	SLAMYBBXSSOBOC-AWEZNQCLSA-N	1	2	414.484	0.506	40	5		HCBBLO
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000220391889	559068912	/nfs/dbraw/zinc/06/89/12/559068912.db2.gz	SLAMYBBXSSOBOC-CQSZACIVSA-N	1	2	414.484	0.506	40	5		HCBBLO
C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220414128	559076839	/nfs/dbraw/zinc/07/68/39/559076839.db2.gz	UHBQZKHDKFXOSG-ZDUSSCGKSA-N	1	2	400.457	0.198	40	5		HCBBLO
C[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220414193	559076841	/nfs/dbraw/zinc/07/68/41/559076841.db2.gz	UHBQZKHDKFXOSG-CYBMUJFWSA-N	1	2	400.457	0.198	40	5		HCBBLO
CS(=O)(=O)N(CCCC(=O)NCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000222365194	568751256	/nfs/dbraw/zinc/75/12/56/568751256.db2.gz	XOJBXDQFBZCFOO-UHFFFAOYSA-N	1	2	414.484	0.589	40	5		HCBBLO
CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222525628	568761739	/nfs/dbraw/zinc/76/17/39/568761739.db2.gz	FJDKFMBSLZGCNA-INIZCTEOSA-N	1	2	414.484	0.588	40	5		HCBBLO
CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222525686	568761756	/nfs/dbraw/zinc/76/17/56/568761756.db2.gz	FJDKFMBSLZGCNA-MRXNPFEDSA-N	1	2	414.484	0.588	40	5		HCBBLO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCn1cc[nH+]c1)S(C)(=O)=O	ZINC000408609703	559221259	/nfs/dbraw/zinc/22/12/59/559221259.db2.gz	PZKVJWBRGTZSGM-UHFFFAOYSA-N	1	2	411.440	0.772	40	5		HCBBLO