smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nn(C(C)C)c(C)c1NC(=O)c1[n-]nc2c1COc1ccccc1-2	ZINC000218155293	206367147	/nfs/dbraw/zinc/36/71/47/206367147.db2.gz	KNGNFFRXMMNWAL-UHFFFAOYSA-N	-1	3	351.410	3.616	50	70		FHIAHM
Cc1nn(C(C)C)c(C)c1NC(=O)c1n[n-]c2c1COc1ccccc1-2	ZINC000218155293	206367150	/nfs/dbraw/zinc/36/71/50/206367150.db2.gz	KNGNFFRXMMNWAL-UHFFFAOYSA-N	-1	3	351.410	3.616	50	70		FHIAHM
COc1ccc2c(c1)[n-]cc(C(=O)N1CCC(c3ccccc3)CC1)c2=O	ZINC000218131940	206367100	/nfs/dbraw/zinc/36/71/00/206367100.db2.gz	ZRHCMUDPHRUNRQ-UHFFFAOYSA-N	-1	3	362.429	3.969	50	70		FHIAHM
O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCO[C@@H](c2ccccc2)C1	ZINC000218417063	206369860	/nfs/dbraw/zinc/36/98/60/206369860.db2.gz	OWUUORYSIRBCOU-QGZVFWFLSA-N	-1	3	368.820	3.808	50	70		FHIAHM
O=C(c1c[n-]c2cc(Cl)ccc2c1=O)N1CCO[C@@H](c2ccccc2)C1	ZINC000218127206	206366748	/nfs/dbraw/zinc/36/67/48/206366748.db2.gz	FTLTVZHHUVEAHY-GOSISDBHSA-N	-1	3	368.820	3.808	50	70		FHIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1ccc(OC(F)(F)F)cc1)CC(=O)O2	ZINC000218427564	206370072	/nfs/dbraw/zinc/37/00/72/206370072.db2.gz	LLYPFGDLFYQODW-ZDUSSCGKSA-N	-1	3	366.291	3.934	50	70		FHIAHM
CC(C)c1nc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)n[n-]1	ZINC000218449646	206369772	/nfs/dbraw/zinc/36/97/72/206369772.db2.gz	ATYPFBRIIXJYLT-UHFFFAOYSA-N	-1	3	374.400	3.954	50	70		FHIAHM
Cc1nc(C2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)cc(=O)[n-]1	ZINC000218297471	527006666	/nfs/dbraw/zinc/00/66/66/527006666.db2.gz	OQBYPJAMYMJJOB-UHFFFAOYSA-N	-1	3	373.884	3.873	50	70		FHIAHM
O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCO[C@H](c2ccccc2)C1	ZINC000218416984	568232961	/nfs/dbraw/zinc/23/29/61/568232961.db2.gz	OWUUORYSIRBCOU-KRWDZBQOSA-N	-1	3	368.820	3.808	50	70		FHIAHM
O=C(c1c[n-]c2cc(Cl)ccc2c1=O)N1CCO[C@H](c2ccccc2)C1	ZINC000218127115	571352500	/nfs/dbraw/zinc/35/25/00/571352500.db2.gz	FTLTVZHHUVEAHY-SFHVURJKSA-N	-1	3	368.820	3.808	50	70		FHIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1ccc(OC(F)(F)F)cc1)CC(=O)O2	ZINC000218427645	571353772	/nfs/dbraw/zinc/35/37/72/571353772.db2.gz	LLYPFGDLFYQODW-CYBMUJFWSA-N	-1	3	366.291	3.934	50	70		FHIAHM
Cc1cn2c(CCC(=O)Nc3cc(C(F)(F)F)ccc3[O-])csc2n1	ZINC000159669592	571141660	/nfs/dbraw/zinc/14/16/60/571141660.db2.gz	TUHQEWMQDMQJMR-UHFFFAOYSA-N	-1	3	369.368	4.000	50	70		FHIAHM