smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(OCCNC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000101624197	205624839	/nfs/dbraw/zinc/62/48/39/205624839.db2.gz	YQXQKXZKDGCRSF-AQTBWJFISA-N	0	1	379.416	2.126	10	10		GECEMN
CCc1nc([C@@H]2CN(Cc3cc(Br)cc(OC)c3O)CCO2)n[nH]1	ZINC000129132561	532173193	/nfs/dbraw/zinc/17/31/93/532173193.db2.gz	SKQSBSORYNIBHN-ZDUSSCGKSA-N	0	1	397.273	2.417	10	10		GECEMN
CN1CCN(c2ccc(CNC(=O)c3n[nH]cc3-c3cccc(O)c3)cc2)CC1	ZINC000114914271	536421339	/nfs/dbraw/zinc/42/13/39/536421339.db2.gz	KOSOLQBEGHIVGZ-UHFFFAOYSA-N	0	1	391.475	2.464	10	10		GECEMN
Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Br)ccc3[O-])C2=O)n(C)n1	ZINC000173849440	532036812	/nfs/dbraw/zinc/03/68/12/532036812.db2.gz	JZNCBUIQRXYQMZ-CQSZACIVSA-N	0	1	393.285	2.482	10	10		GECEMN
[O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000120489552	643611509	/nfs/dbraw/zinc/61/15/09/643611509.db2.gz	FLKHAPFVGBKRNX-UHFFFAOYSA-N	0	1	379.251	2.459	10	10		GECEMN
COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000001197338	206366032	/nfs/dbraw/zinc/36/60/32/206366032.db2.gz	OCNZJRDFTZAXJQ-PDGQHHTCSA-N	0	1	379.416	2.423	10	10		GECEMN
COC(=O)c1ccccc1NC=C1C(=O)NC(=S)N(c2ccccc2)C1=O	ZINC000103603700	536818369	/nfs/dbraw/zinc/81/83/69/536818369.db2.gz	MFCHIHFUTQAPDU-KAMYIIQDSA-N	0	1	381.413	2.217	10	10		GECEMN
COc1cc(Br)cc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1O	ZINC000180106127	532258344	/nfs/dbraw/zinc/25/83/44/532258344.db2.gz	GPPYYMQTIJQLHA-CYBMUJFWSA-N	0	1	383.246	2.163	10	10		GECEMN
COc1cccc(OC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)c1	ZINC000041078206	212042311	/nfs/dbraw/zinc/04/23/11/212042311.db2.gz	UPVXNGDMVQLBOI-UHFFFAOYSA-N	0	1	398.400	2.384	10	10		GECEMN
Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)o3)C(=O)NC2=S)cc1	ZINC000004472800	570376559	/nfs/dbraw/zinc/37/65/59/570376559.db2.gz	QHZQCENWLDOONJ-VBKFSLOCSA-N	0	1	397.456	2.256	10	10		GECEMN
COc1cc(Br)cc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c1O	ZINC000180106111	532257997	/nfs/dbraw/zinc/25/79/97/532257997.db2.gz	GPPYYMQTIJQLHA-ZDUSSCGKSA-N	0	1	383.246	2.163	10	10		GECEMN
O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1	ZINC000001153592	209307698	/nfs/dbraw/zinc/30/76/98/209307698.db2.gz	GUECJCAIFGYAEH-JXAWBTAJSA-N	0	1	383.448	2.318	10	10		GECEMN
O=C(CN1C(=O)C(=Cc2ccccc2F)SC1=S)NCCc1cnc[nH]1	ZINC000033543445	209181768	/nfs/dbraw/zinc/18/17/68/209181768.db2.gz	LVMQNFFTYVTTLC-VGOFMYFVSA-N	0	1	390.465	2.109	10	10		GECEMN
O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1cnc[nH]1	ZINC000033526565	212110523	/nfs/dbraw/zinc/11/05/23/212110523.db2.gz	VULCVEWHWXYJKX-JYRVWZFOSA-N	0	1	392.531	2.421	10	10		GECEMN
Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Br)ccc3[O-])C2=O)n(C)n1	ZINC000173849425	532037431	/nfs/dbraw/zinc/03/74/31/532037431.db2.gz	JZNCBUIQRXYQMZ-AWEZNQCLSA-N	0	1	393.285	2.482	10	10		GECEMN
CCc1nc([C@H]2CN(Cc3cc(Br)cc(OC)c3O)CCO2)n[nH]1	ZINC000129132762	532172759	/nfs/dbraw/zinc/17/27/59/532172759.db2.gz	SKQSBSORYNIBHN-CYBMUJFWSA-N	0	1	397.273	2.417	10	10		GECEMN