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]1CCc2cc(F)cc3c(O)c(CCC4=C([O-])[C@H]5c6c(cc(F)cc6C4=O)CC[C@@H]5C)c(=O)n1c23	ZINC000100968105	569778028	/nfs/dbraw/zinc/77/80/28/569778028.db2.gz	PEKRLYBKGACEOS-QUVIJQCPSA-N	-1	2	491.534	5.643	40	30		JKEBLM
CCc1ccc2oc(-c3cc(/N=C/c4cc(Br)cc([N+](=O)[O-])c4[O-])ccc3O)nc2c1	ZINC000003087090	524060869	/nfs/dbraw/zinc/06/08/69/524060869.db2.gz	HWOHVONTDBGGKW-BHGWPJFGSA-N	-1	2	482.290	5.890	40	30		JKEBLM
Cc1ccc2oc(-c3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3[O-])nc2c1	ZINC000003033459	524085691	/nfs/dbraw/zinc/08/56/91/524085691.db2.gz	SKUPVTFYBOANCI-YSURURNPSA-N	-1	2	457.711	6.381	40	30		JKEBLM
COc1ccc(-c2oc(/N=C/c3cc([N+](=O)[O-])c([O-])cc3O)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000408918769	570076258	/nfs/dbraw/zinc/07/62/58/570076258.db2.gz	OUKVXQSWXWGQCX-CCVNUDIWSA-N	-1	2	485.452	5.572	40	30		JKEBLM
CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(O)c(Cl)c1	ZINC000409041444	570107621	/nfs/dbraw/zinc/10/76/21/570107621.db2.gz	VYESHRUWOPDZNR-UHFFFAOYSA-N	-1	2	492.399	5.469	40	30		JKEBLM
C[C@H]1CCc2cc(F)cc3c2[C@H]1C([O-])=C(CCc1c(O)c2cc(F)cc4c2n(c1=O)[C@@H](C)CC4)C3=O	ZINC000102709709	130255728	/nfs/dbraw/zinc/25/57/28/130255728.db2.gz	PEKRLYBKGACEOS-QIPPXTIRSA-N	-1	2	491.534	5.643	40	30		JKEBLM
CCc1ccc2oc(-c3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3[O-])nc2c1	ZINC000003032427	524060646	/nfs/dbraw/zinc/06/06/46/524060646.db2.gz	VLRIZORXOLWMKR-OPEKNORGSA-N	-1	2	471.738	6.635	40	30		JKEBLM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)c1	ZINC000013476656	555402884	/nfs/dbraw/zinc/40/28/84/555402884.db2.gz	FPFTVZKGEYAYJL-LSHDLFTRSA-N	-1	2	454.236	5.327	40	30		JKEBLM
Cc1ccc(/C=N/c2cc(S(=O)(=O)c3ccc(O)c(/N=C/c4ccc(C)o4)c3)ccc2[O-])o1	ZINC000001445218	553972972	/nfs/dbraw/zinc/97/29/72/553972972.db2.gz	IHIDYLLEVZZDRX-BKHCZYBLSA-N	-1	2	464.499	5.235	40	30		JKEBLM
CCc1ccc2oc(-c3cc(/N=C/c4cc([N+](=O)[O-])cc(Br)c4[O-])ccc3O)nc2c1	ZINC000003032416	524060728	/nfs/dbraw/zinc/06/07/28/524060728.db2.gz	HAFBOQCPWDNQRU-BHGWPJFGSA-N	-1	2	482.290	5.890	40	30		JKEBLM
Cc1cc2nc(-c3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3[O-])oc2c(C)c1	ZINC000003032234	525666570	/nfs/dbraw/zinc/66/65/70/525666570.db2.gz	YEPZRDHCURIYNJ-KIBLKLHPSA-N	-1	2	471.738	6.689	40	30		JKEBLM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cc(Br)cc(Br)c1O	ZINC000038160410	569799568	/nfs/dbraw/zinc/79/95/68/569799568.db2.gz	KGACLERIPOCFMZ-CGOBSMCZSA-N	-1	2	483.038	5.290	40	30		JKEBLM
C[C@H]1CCc2cc(F)cc3c2[C@@H]1C([O-])=C(CCc1c(O)c2cc(F)cc4c2n(c1=O)[C@@H](C)CC4)C3=O	ZINC000102709703	130255702	/nfs/dbraw/zinc/25/57/02/130255702.db2.gz	PEKRLYBKGACEOS-ZDODERHWSA-N	-1	2	491.534	5.643	40	30		JKEBLM
Cc1ccc2oc(-c3cc(/N=C/c4cc([N+](=O)[O-])cc(Br)c4[O-])ccc3O)nc2c1	ZINC000008927127	554824516	/nfs/dbraw/zinc/82/45/16/554824516.db2.gz	LDPKJWKFISRFBI-AUEPDCJTSA-N	-1	2	468.263	5.636	40	30		JKEBLM
C[C@@H]1CCc2cc(F)cc3c(O)c(CCC4=C([O-])[C@@H]5c6c(cc(F)cc6C4=O)CC[C@@H]5C)c(=O)n1c23	ZINC000100968114	569777981	/nfs/dbraw/zinc/77/79/81/569777981.db2.gz	PEKRLYBKGACEOS-UDFDBXRZSA-N	-1	2	491.534	5.643	40	30		JKEBLM
Cc1c(/N=C2\S/C(=C\c3cc(Cl)c(O)c(Br)c3)C(=O)N2C)cccc1C(=O)[O-]	ZINC000408934677	570081147	/nfs/dbraw/zinc/08/11/47/570081147.db2.gz	MEFNDRRWSBDBOP-FYTCVGLNSA-N	-1	2	481.755	5.049	40	30		JKEBLM