smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc(C(=O)OC)c1	ZINC000003654937	552403291	/nfs/dbraw/zinc/40/32/91/552403291.db2.gz	ZIWAHONKTPMAHP-UHFFFAOYSA-N	0	1	511.350	2.732	10	0		KFAEMN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCN3CCCCCC3)c21	ZINC000009841442	553311102	/nfs/dbraw/zinc/31/11/02/553311102.db2.gz	YMTYOTKFAVYITO-UHFFFAOYSA-N	0	1	514.486	2.904	10	0		KFAEMN
CCc1nc(N)nc(N)c1-c1ccc(OCCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1	ZINC000022066222	553725555	/nfs/dbraw/zinc/72/55/55/553725555.db2.gz	BFKUOZXULQKXMB-QTEQDKRBSA-N	0	1	527.695	2.871	10	0	in-vitro	KFAEMN
CCc1nc(N)nc(N)c1-c1ccc(OCCCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]23)cc1	ZINC000022066225	553725472	/nfs/dbraw/zinc/72/54/72/553725472.db2.gz	BFKUOZXULQKXMB-VIZSFHNOSA-N	0	1	527.695	2.871	10	0	in-vitro	KFAEMN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)[N-]C(=O)C(F)(F)F	ZINC000026736388	561817489	/nfs/dbraw/zinc/81/74/89/561817489.db2.gz	GCXUQJZQTKASDY-GQQCNCLLSA-N	0	1	730.847	2.846	10	0		KFAEMN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)[N-]C(=O)C(F)(F)F	ZINC000026736388	561817488	/nfs/dbraw/zinc/81/74/88/561817488.db2.gz	GCXUQJZQTKASDY-GQQCNCLLSA-N	0	1	730.847	2.846	10	0		KFAEMN
CCc1nc(N)nc(N)c1-c1ccc(OCCCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]23)cc1	ZINC000035653066	554061996	/nfs/dbraw/zinc/06/19/96/554061996.db2.gz	BFKUOZXULQKXMB-TXTKFYIRSA-N	0	1	527.695	2.871	10	0	in-vitro	KFAEMN
CCc1nc(N)nc(N)c1-c1ccc(OCCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1	ZINC000035653069	554062022	/nfs/dbraw/zinc/06/20/22/554062022.db2.gz	BFKUOZXULQKXMB-ZRCGQRJVSA-N	0	1	527.695	2.871	10	0	in-vitro	KFAEMN
C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1	ZINC000071788442	553639219	/nfs/dbraw/zinc/63/92/19/553639219.db2.gz	NSTUGGBZPGMBQT-DFBJGRDBSA-N	0	1	542.596	2.660	10	0		KFAEMN
Cc1[nH]c2cccc3c2c1C[C@@H]1C3=C[C@@H](C(=O)N[C@]2(C(C)C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)N3C2=O)CN1C	ZINC000072266905	562733050	/nfs/dbraw/zinc/73/30/50/562733050.db2.gz	AFFLEALSHYGOOD-NOURLPFCSA-N	0	1	589.737	2.739	10	0	in-man	KFAEMN
CC(=O)N1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2CCCOc2ccccc2CN(CC(C)C)CC3=O)CC1	ZINC000077267207	553655087	/nfs/dbraw/zinc/65/50/87/553655087.db2.gz	HQUWCMCEAOZAMK-DQEYMECFSA-N	0	1	512.695	2.863	10	0		KFAEMN
CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3-c2cccc(C)c2)cc1	ZINC000103587757	555451844	/nfs/dbraw/zinc/45/18/44/555451844.db2.gz	LFPSRACGJVAOJF-OAQYLSRUSA-N	0	1	553.544	2.850	10	0		KFAEMN
CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3-c2cccc(C)c2)cc1	ZINC000103587760	555452175	/nfs/dbraw/zinc/45/21/75/555452175.db2.gz	LFPSRACGJVAOJF-NRFANRHFSA-N	0	1	553.544	2.850	10	0		KFAEMN
COc1ccc(CN2C[C@@H](O)CNC(=O)c3ccc(-c4ccccc4)cc3OC[C@@]3(C[C@@H](O)[C@@H](O)C3)C2)cc1	ZINC000108317831	571423367	/nfs/dbraw/zinc/42/33/67/571423367.db2.gz	LJKWPUVWBCCVTD-FGFMNRMISA-N	0	1	532.637	2.850	10	0		KFAEMN