smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(CC(C)(C)C)n[n-]c1=S	40539334	343220226	/nfs/dbraw/zinc/22/02/26/343220226.db2.gz	MNNIXHHKLRUQRM-UHFFFAOYSA-N	-1	1	199.323	2.549	20	0		AFADMM
Cc1ccc2c([O-])ccc(Cl)c2n1	95643141	343685456	/nfs/dbraw/zinc/68/54/56/343685456.db2.gz	GRVQXFRJNJGBPE-UHFFFAOYSA-N	-1	1	193.633	2.902	20	0		AFADMM
CC(C)(C)c1n[n-]c(=S)n1C1CC1	40539326	166386566	/nfs/dbraw/zinc/38/65/66/166386566.db2.gz	OKCBSBNFPMYWPI-UHFFFAOYSA-N	-1	1	197.307	2.573	20	0		AFADMM
CSc1ccc([O-])c(Cl)c1	39275996	168310989	/nfs/dbraw/zinc/31/09/89/168310989.db2.gz	URMIHRANPOLBOI-UHFFFAOYSA-N	-1	1	174.652	2.768	20	0		AFADMM
[O-]c1cc(F)c(F)c(C(F)(F)F)c1	2560163	342976859	/nfs/dbraw/zinc/97/68/59/342976859.db2.gz	RVDRWCCBLQRMJB-UHFFFAOYSA-N	-1	1	198.090	2.689	20	0		AFADMM
CC(C)n1c(C2CCC2)n[n-]c1=S	40539330	343220035	/nfs/dbraw/zinc/22/00/35/343220035.db2.gz	TVASHBXIEMLPCC-UHFFFAOYSA-N	-1	1	197.307	2.789	20	0		AFADMM
Cc1ccnc2c(Cl)ccc([O-])c12	95093192	343680624	/nfs/dbraw/zinc/68/06/24/343680624.db2.gz	KAAAUZDFLUZOPN-UHFFFAOYSA-N	-1	1	193.633	2.902	20	0		AFADMM
[O-]c1ccc2cnccc2c1Cl	39129560	351494417	/nfs/dbraw/zinc/49/44/17/351494417.db2.gz	ALTPGTZNQQAMJI-UHFFFAOYSA-N	-1	1	179.606	2.594	20	0		AFADMM
[O-]c1ccc2occc2c1Cl	39128132	351494823	/nfs/dbraw/zinc/49/48/23/351494823.db2.gz	BDMGZRRZTLETQZ-UHFFFAOYSA-N	-1	1	168.579	2.792	20	0		AFADMM
S=c1[n-]nc(C2CCC2)n1C1CC1	40539328	351507951	/nfs/dbraw/zinc/50/79/51/351507951.db2.gz	XZMMQGTYVVRNFQ-UHFFFAOYSA-N	-1	1	195.291	2.543	20	0		AFADMM
[O-]c1cc2cccnc2cc1Cl	166272476	351766973	/nfs/dbraw/zinc/76/69/73/351766973.db2.gz	IMNOKYAIEWZXAI-UHFFFAOYSA-N	-1	1	179.606	2.594	20	0		AFADMM
CCc1n[n-]c(=S)n1CC(C)(C)C	40494700	537837544	/nfs/dbraw/zinc/83/75/44/537837544.db2.gz	RJAOTUJRXFREEW-UHFFFAOYSA-N	-1	1	199.323	2.549	20	0		AFADMM
CCc1n[n-]c(=S)n1C1CCCC1	20590280	572227484	/nfs/dbraw/zinc/22/74/84/572227484.db2.gz	ONTBXOYQROQOFN-UHFFFAOYSA-N	-1	1	197.307	2.618	20	0		AFADMM