smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1ncc2c1nc[nH+]c2SCCC	ZINC000028894699	187885176	/nfs/dbraw/zinc/88/51/76/187885176.db2.gz	QEXMSHWLLDGZLA-UHFFFAOYSA-N	1	2	234.328	2.514	1	30		BFEFLO
CC(=O)/C=C/c1c[nH+]cc2c1CC[C@H]2C	ZINC000033832897	560088103	/nfs/dbraw/zinc/08/81/03/560088103.db2.gz	GFEIYWSBRLRYJI-XNPJLODASA-N	1	2	201.269	2.734	1	30	biogenic,in-vitro	BFEFLO
[N-]=[N+]=Nc1ccc(C(=O)Cn2cc[nH+]c2)cc1	ZINC000027300034	187254529	/nfs/dbraw/zinc/25/45/29/187254529.db2.gz	ASANKGQBNYJXNA-UHFFFAOYSA-N	1	2	227.227	2.708	1	30		BFEFLO
C=CC[C@@](C)([NH2+]Cc1ccccc1)C(=O)OCC	ZINC000008860537	187363494	/nfs/dbraw/zinc/36/34/94/187363494.db2.gz	JVVBWBWAPOGFBN-OAHLLOKOSA-N	1	2	247.338	2.674	1	30		BFEFLO
C(#Cc1nccc2sccc21)Cn1cc[nH+]c1	ZINC000585145298	344180411	/nfs/dbraw/zinc/18/04/11/344180411.db2.gz	LUJAASDQVKINTQ-UHFFFAOYSA-N	1	2	239.303	2.545	2	30		BFEFLO
CC(C)(C)CC#C[C@H]1C[C@@H]1c1c[nH]c[nH+]1	ZINC000029400735	166545631	/nfs/dbraw/zinc/54/56/31/166545631.db2.gz	XBRILQZFKNUQAJ-QWRGUYRKSA-N	1	2	202.301	2.953	1	30		BFEFLO
CC(C)(C)CC#C[C@H]1C[C@@H]1c1c[nH+]c[nH]1	ZINC000029400735	166545634	/nfs/dbraw/zinc/54/56/34/166545634.db2.gz	XBRILQZFKNUQAJ-QWRGUYRKSA-N	1	2	202.301	2.953	1	30		BFEFLO
C#CC[NH2+]Cc1coc(-c2ccccc2Cl)n1	ZINC000072100875	188047342	/nfs/dbraw/zinc/04/73/42/188047342.db2.gz	JQAGNFQDUCSPMF-UHFFFAOYSA-N	1	2	246.697	2.718	1	30		BFEFLO
N#Cc1ccc2c(c1)CCC2=Cc1c[nH]c[nH+]1	ZINC000013611827	181132626	/nfs/dbraw/zinc/13/26/26/181132626.db2.gz	FFOSLNTUQPRRRB-WUXMJOGZSA-N	1	2	221.263	2.768	1	30		BFEFLO
C(#Cc1nc2ccccc2s1)Cn1cc[nH+]c1	ZINC000585145457	343880984	/nfs/dbraw/zinc/88/09/84/343880984.db2.gz	VVQQLAYIKJZUJH-UHFFFAOYSA-N	1	2	239.303	2.545	2	30		BFEFLO
N#Cc1ccc(Cn2cc[nH+]c2)c2ccccc12	ZINC000028637748	188109833	/nfs/dbraw/zinc/10/98/33/188109833.db2.gz	BLSYBYJHHMRCSI-UHFFFAOYSA-N	1	2	233.274	2.956	1	30		BFEFLO
N#Cc1nc2ccccc2c2[nH+]c3ccccc3n21	ZINC000001515882	181169513	/nfs/dbraw/zinc/16/95/13/181169513.db2.gz	ACFTUKAXDUOFKW-UHFFFAOYSA-N	1	2	244.257	2.907	1	30		BFEFLO
CC(C)(c1ccc(C#N)cc1)n1cc[nH+]c1	ZINC000028638467	187765134	/nfs/dbraw/zinc/76/51/34/187765134.db2.gz	SQKZHKLOFPAJCP-UHFFFAOYSA-N	1	2	211.268	2.538	1	30		BFEFLO
C=CCn1ncc2c1nc[nH+]c2SCC1CC1	ZINC000028894838	188059402	/nfs/dbraw/zinc/05/94/02/188059402.db2.gz	GCYGPRCDGPUAKY-UHFFFAOYSA-N	1	2	246.339	2.514	1	30		BFEFLO
CC(C)(C)CC#C[C@@H]1C[C@@H]1c1c[nH]c[nH+]1	ZINC000029400731	166545792	/nfs/dbraw/zinc/54/57/92/166545792.db2.gz	XBRILQZFKNUQAJ-MNOVXSKESA-N	1	2	202.301	2.953	1	30		BFEFLO
CC(C)(C)CC#C[C@@H]1C[C@@H]1c1c[nH+]c[nH]1	ZINC000029400731	166545793	/nfs/dbraw/zinc/54/57/93/166545793.db2.gz	XBRILQZFKNUQAJ-MNOVXSKESA-N	1	2	202.301	2.953	1	30		BFEFLO
C=CCCSc1[nH+]cnc2c1cnn2CC=C	ZINC000028894942	166293832	/nfs/dbraw/zinc/29/38/32/166293832.db2.gz	QYZHZPCRLRRRGU-UHFFFAOYSA-N	1	2	246.339	2.681	1	30		BFEFLO