smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c[nH]c(-c2ccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3F)c3c2C(=O)NC3)n1	ZINC000115767717	1069723230	/nfs/dbraw/zinc/72/32/30/1069723230.db2.gz	BOLRZWTVMUHQQU-UHFFFAOYSA-N	0	0	509.463	6.097	30	0		KKACRN
CC(C)CCNC(=O)c1ccc2c(c1)nc(Nc1n[nH]c3ccc(-c4ccccc4OC(F)(F)F)cc31)n2C1CCC(O)CC1	ZINC000073096248	553652044	/nfs/dbraw/zinc/65/20/44/553652044.db2.gz	QZMAOGLWCNTFCG-UHFFFAOYSA-N	0	0	620.676	7.474	30	0		KKACRN
O=Cc1c(Br)c(Br)c(Br)c(Br)c1Br	ZINC000039269216	554278651	/nfs/dbraw/zinc/27/86/51/554278651.db2.gz	KRTLACPYIMNVJR-UHFFFAOYSA-N	0	0	500.604	5.312	30	0		KKACRN
COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1	ZINC000206769279	571572888	/nfs/dbraw/zinc/57/28/88/571572888.db2.gz	NRJKIOCCERLIDG-GOSISDBHSA-N	0	0	559.623	5.433	30	0	in-vitro	KKACRN
CC1=C([C@@H]2C=C3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)C[C@@H](O)C[C@@H]1O	ZINC000077270727	553656094	/nfs/dbraw/zinc/65/60/94/553656094.db2.gz	PTIHYNIKYFVMFI-QLUNSSTRSA-N	0	0	575.794	5.944	30	0	in-vitro	KKACRN
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1	ZINC000068078924	554538499	/nfs/dbraw/zinc/53/84/99/554538499.db2.gz	DJZBZZRLUQDRII-IOLBBIBUSA-N	0	0	734.769	7.179	30	0		KKACRN
Cc1nc(SCC(=O)c2ccc(Br)cc2)nc(OCc2c(F)cccc2Cl)c1Cc1ccc(Cl)cc1	ZINC000101039845	554567409	/nfs/dbraw/zinc/56/74/09/554567409.db2.gz	MNRIJCLFBRBJNR-UHFFFAOYSA-N	0	0	606.344	8.138	30	0		KKACRN
COC(=O)c1ccccc1Nc1ccc(-c2ccc(Nc3ccccc3C(=O)OC)c(OC)c2)cc1OC	ZINC000142234970	571456010	/nfs/dbraw/zinc/45/60/10/571456010.db2.gz	BJFGHUSRYPOKSL-UHFFFAOYSA-N	0	0	512.562	6.431	30	0		KKACRN
CC1=C([C@@H]2C=C3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)C[C@@H](O)C[C@@H]1O	ZINC000101794394	1069700755	/nfs/dbraw/zinc/70/07/55/1069700755.db2.gz	PTIHYNIKYFVMFI-HSFSQZSGSA-N	0	0	575.794	5.944	30	0		KKACRN
CC1=C([C@H]2C=C3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)C[C@@H](O)C[C@@H]1O	ZINC000101794385	1069700793	/nfs/dbraw/zinc/70/07/93/1069700793.db2.gz	PTIHYNIKYFVMFI-YXOLFUCFSA-N	0	0	575.794	5.944	30	0		KKACRN
CCCOc1nc(SCC(=O)c2ccc(Br)cc2)nc(C)c1Cc1ccc(Cl)cc1	ZINC000015444082	553533474	/nfs/dbraw/zinc/53/34/74/553533474.db2.gz	OZSUWIGWSIRZGB-UHFFFAOYSA-N	0	0	505.865	6.556	30	0		KKACRN
CC1=C([C@H]2C=C3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)C[C@@H](O)C[C@@H]1O	ZINC000101794382	1069700876	/nfs/dbraw/zinc/70/08/76/1069700876.db2.gz	PTIHYNIKYFVMFI-SJTRENBDSA-N	0	0	575.794	5.944	30	0		KKACRN