smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(=O)[O-]	ZINC000028759990	182537953	/nfs/dbraw/zinc/53/79/53/182537953.db2.gz	YRSMZWUVBYKNMV-SNVBAGLBSA-N	-1	0	303.745	3.456	1	10		DGCFRM
C[C@@H](N/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1)C(=O)[O-]	ZINC000050647908	183793841	/nfs/dbraw/zinc/79/38/41/183793841.db2.gz	VWEBBEXXPSZZBN-SNVBAGLBSA-N	-1	0	309.329	3.291	1	10		DGCFRM
Cc1c(Cl)c2c(cc1OCC(=O)[O-])C(=O)C1(CCCC1)C2=O	ZINC000027894569	182496411	/nfs/dbraw/zinc/49/64/11/182496411.db2.gz	UBRLHDZYKAPVRP-UHFFFAOYSA-N	-1	0	322.744	3.051	1	10		DGCFRM
Nc1c(C(=O)[O-])sc2nc(C3CC3)cc(C(F)(F)F)c12	ZINC000000205402	180725572	/nfs/dbraw/zinc/72/55/72/180725572.db2.gz	NWAZUPKXUABACV-UHFFFAOYSA-N	-1	0	302.277	3.473	1	10		DGCFRM
COc1cccc(-c2ccc3c(N)c(C(=O)[O-])sc3n2)c1	ZINC000095602615	185382391	/nfs/dbraw/zinc/38/23/91/185382391.db2.gz	CKGLVQOZBZOLNC-UHFFFAOYSA-N	-1	0	300.339	3.252	1	10		DGCFRM
CC1=NC(=O)[C@@H](N=Nc2cccc(C(=O)[O-])c2)N1c1ccccc1	ZINC000102746764	185420132	/nfs/dbraw/zinc/42/01/32/185420132.db2.gz	QRAKVWRIBCUSQM-DNTCVELPSA-N	-1	0	322.324	3.260	1	10		DGCFRM
CN(C)c1ccc(-c2cc(=O)c3c(F)cc([O-])c(O)c3o2)cc1	ZINC000103031142	185430225	/nfs/dbraw/zinc/43/02/25/185430225.db2.gz	CTICYRQLUBBVSD-UHFFFAOYSA-N	-1	0	315.300	3.076	1	10		DGCFRM
CCCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2	ZINC000004124116	181076535	/nfs/dbraw/zinc/07/65/35/181076535.db2.gz	VDXRBMQGNOBXBK-WOSRLPQWSA-N	-1	0	315.369	3.182	2	10		DGCFRM
CCCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2	ZINC000004124114	181076790	/nfs/dbraw/zinc/07/67/90/181076790.db2.gz	VDXRBMQGNOBXBK-HEHGZKQESA-N	-1	0	315.369	3.182	2	10		DGCFRM
CC(C)[C@@H](Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)[O-]	ZINC000005884191	181292835	/nfs/dbraw/zinc/29/28/35/181292835.db2.gz	SBFNOHONVXXSTN-MRXNPFEDSA-N	-1	0	310.353	3.148	1	10		DGCFRM
CC(C)[C@H](Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)[O-]	ZINC000017193676	182079526	/nfs/dbraw/zinc/07/95/26/182079526.db2.gz	SBFNOHONVXXSTN-INIZCTEOSA-N	-1	0	310.353	3.148	1	10		DGCFRM
CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)C(C(=O)C(C)C)=C1[O-]	ZINC000100772709	571816413	/nfs/dbraw/zinc/81/64/13/571816413.db2.gz	HMEGPOIWNGKXBR-CQSZACIVSA-N	-1	0	318.413	3.248	1	10	endogenous,in-man	DGCFRM
O=C([O-])c1ccc2ccc(/C=C/c3cccc(O)c3O)nc2c1O	ZINC000049783815	183758705	/nfs/dbraw/zinc/75/87/05/183758705.db2.gz	XIJMJBPVMCQSIA-VMPITWQZSA-N	-1	0	323.304	3.220	1	10		DGCFRM
CC1=NC(=O)[C@H](N=Nc2cccc(C(=O)[O-])c2)N1c1ccccc1	ZINC000102746759	185420036	/nfs/dbraw/zinc/42/00/36/185420036.db2.gz	QRAKVWRIBCUSQM-MVZUJROASA-N	-1	0	322.324	3.260	1	10		DGCFRM
O=C([O-])/C=C\c1ccc(O)c2c1C=Cc1cc(O)c(O)cc1O2	ZINC000095919069	560054761	/nfs/dbraw/zinc/05/47/61/560054761.db2.gz	QOUSSKPKMYDXFC-UTCJRWHESA-N	-1	0	312.277	3.177	1	10	biogenic,in-vitro	DGCFRM
C[C@@H](Nc1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000053044892	183884665	/nfs/dbraw/zinc/88/46/65/183884665.db2.gz	BQLLNHMCIPEENK-SNVBAGLBSA-N	-1	0	303.745	3.456	1	10		DGCFRM
Cc1[n-]n(C(N)=S)c(=O)c1/N=N/c1ccc2ccccc2c1	ZINC000169325962	197741822	/nfs/dbraw/zinc/74/18/22/197741822.db2.gz	HSKDLXQAHVYSFB-ISLYRVAYSA-N	-1	0	311.370	3.145	1	10		DGCFRM
O=C([O-])/C=C\c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc21	ZINC000095919068	560054745	/nfs/dbraw/zinc/05/47/45/560054745.db2.gz	KSKIGSUQYGWNAK-UTCJRWHESA-N	-1	0	312.277	3.314	1	10	biogenic,in-vitro	DGCFRM
CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)C(C(=O)C(C)C)=C1[O-]	ZINC000100772710	571816379	/nfs/dbraw/zinc/81/63/79/571816379.db2.gz	HMEGPOIWNGKXBR-AWEZNQCLSA-N	-1	0	318.413	3.248	1	10	endogenous,in-man	DGCFRM
Cc1cc(C)nc([N-]c2nc(-c3ccc(O)c(O)c3)cs2)n1	ZINC000020070471	182185318	/nfs/dbraw/zinc/18/53/18/182185318.db2.gz	WWONHXSTUSPHDN-UHFFFAOYSA-N	-1	0	314.370	3.372	1	10		DGCFRM
O=C(c1csc(-c2ccccc2)n1)c1cc(O)c([O-])c(O)c1	ZINC000040892361	183146632	/nfs/dbraw/zinc/14/66/32/183146632.db2.gz	BDRRKZGOTAURLX-UHFFFAOYSA-N	-1	0	313.334	3.158	1	10		DGCFRM