smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2ccccc2n2c3ccccc3nc12	ZINC000001637734	178298686	/nfs/dbraw/zinc/29/86/86/178298686.db2.gz	MWJNCARPMWGPBR-UHFFFAOYSA-N	0	0	232.286	3.949	1	5		BHBFRN
Cc1cc2ccccc2n2c3cc(O)ccc3nc12	ZINC000001638782	178299148	/nfs/dbraw/zinc/29/91/48/178299148.db2.gz	VTOKYGJGDSMCLZ-UHFFFAOYSA-N	0	0	248.285	3.655	1	5		BHBFRN
Cn1cc2c3ccccc3nc-2c2ccccc21	ZINC000001642327	560183212	/nfs/dbraw/zinc/18/32/12/560183212.db2.gz	GLYLOCYYFNTVGX-UHFFFAOYSA-N	0	0	232.286	3.831	1	5	biogenic,in-vitro	BHBFRN
COc1cccc2c3ccccc3c3[nH]cnc3c12	ZINC000013219290	175306562	/nfs/dbraw/zinc/30/65/62/175306562.db2.gz	DIZVLGVGMAUZHV-UHFFFAOYSA-N	0	0	248.285	3.878	1	5		BHBFRN
COc1ccc2nc3[nH]c4ccccc4c3cc2c1	ZINC000013475314	175229950	/nfs/dbraw/zinc/22/99/50/175229950.db2.gz	REDCVQGNBJLVOZ-UHFFFAOYSA-N	0	0	248.285	3.878	1	5		BHBFRN
c1ccc2c(c1)[nH]c1c2ncc2ccccc12	ZINC000013728930	183455339	/nfs/dbraw/zinc/45/53/39/183455339.db2.gz	ZAEKWPWLIFDFEA-UHFFFAOYSA-N	0	0	218.259	3.869	1	5		BHBFRN
C[C@@H]1CC[C@@H](c2ccoc2)[N+]2([O-])C[C@@H](C)CC[C@@H]12	ZINC000027518322	177207335	/nfs/dbraw/zinc/20/73/35/177207335.db2.gz	HISDAJRMKAJROU-UNVGTVGXSA-N	0	0	249.354	3.864	1	5	biogenic,in-vitro	BHBFRN
Cc1cc(=O)oc2cc3[nH]c4ccccc4c3cc12	ZINC000034184173	177720814	/nfs/dbraw/zinc/72/08/14/177720814.db2.gz	XLQYXBKYOQBHMC-UHFFFAOYSA-N	0	0	249.269	3.736	1	5		BHBFRN
Cc1cccc(Oc2ccccc2[N+](=O)[O-])c1	ZINC000038844164	188290568	/nfs/dbraw/zinc/29/05/68/188290568.db2.gz	WOAVWBGOVFKQMD-UHFFFAOYSA-N	0	0	229.235	3.696	1	5		BHBFRN
O=Cc1c2[nH]c3ccccc3c2nc2ccccc21	ZINC000039151541	182859636	/nfs/dbraw/zinc/85/96/36/182859636.db2.gz	HQUOYOALUOVUPO-UHFFFAOYSA-N	0	0	246.269	3.682	1	5		BHBFRN
Cc1c2c3c(cccc3c3ccccc13)C(=O)N2C	ZINC000040395002	177638734	/nfs/dbraw/zinc/63/87/34/177638734.db2.gz	OOGVRCOSBUXHTH-UHFFFAOYSA-N	0	0	247.297	3.891	1	5		BHBFRN
Cc1nc2c(ccc3cccnc32)c2[nH]ccc21	ZINC000040974892	180070512	/nfs/dbraw/zinc/07/05/12/180070512.db2.gz	SGNHITZALPVCOY-UHFFFAOYSA-N	0	0	233.274	3.573	1	5		BHBFRN
Cc1nc2c(ccc3cccnc32)c2occc21	ZINC000040975447	180070463	/nfs/dbraw/zinc/07/04/63/180070463.db2.gz	ZMRRKICFFXQQHB-UHFFFAOYSA-N	0	0	234.258	3.838	1	5		BHBFRN
Nc1c2c3ccccc3oc2nc2ccccc21	ZINC000045291176	188480618	/nfs/dbraw/zinc/48/06/18/188480618.db2.gz	PRDJOSKNTSBKAH-UHFFFAOYSA-N	0	0	234.258	3.716	1	5		BHBFRN
Nc1nc2cccc3ccc4cccc1c4c32	ZINC000045322947	181794022	/nfs/dbraw/zinc/79/40/22/181794022.db2.gz	SYBAICXMQWUKGI-UHFFFAOYSA-N	0	0	218.259	3.561	1	5		BHBFRN
Cc1coc2c1c(=O)[nH]c1c2ccc2ccccc21	ZINC000045355952	187607917	/nfs/dbraw/zinc/60/79/17/187607917.db2.gz	ICYHLEZATYLZKI-UHFFFAOYSA-N	0	0	249.269	3.736	1	5		BHBFRN
Cc1cc2cc(Cl)c(=O)oc2c2ccccc12	ZINC000053294407	178294079	/nfs/dbraw/zinc/29/40/79/178294079.db2.gz	HSXZIOKQRWMLDO-UHFFFAOYSA-N	0	0	244.677	3.908	1	5		BHBFRN
O=c1[nH]c2ccccc2c2[nH]c3ccccc3c21	ZINC000100850821	183252488	/nfs/dbraw/zinc/25/24/88/183252488.db2.gz	HOVZRKGZDNJLAL-UHFFFAOYSA-N	0	0	234.258	3.527	1	5		BHBFRN
C[C@@H]1CC[C@H]2[C@H](C)CC[C@@H](c3ccoc3)[N+]2([O-])C1	ZINC000140525515	717152122	/nfs/dbraw/zinc/15/21/22/717152122.db2.gz	HISDAJRMKAJROU-UJMOPTFLSA-N	0	0	249.354	3.864	1	5		BHBFRN
C[C@@H]1CC[C@@H]2[C@@H](C)CC[C@H](c3ccoc3)[N+]2([O-])C1	ZINC000238757819	717162731	/nfs/dbraw/zinc/16/27/31/717162731.db2.gz	HISDAJRMKAJROU-SYOQCJKDSA-N	0	0	249.354	3.864	1	5		BHBFRN
C[C@@H]1CC[C@H]2[C@@H](C)CC[C@H](c3ccoc3)[N+]2([O-])C1	ZINC000238781030	717163508	/nfs/dbraw/zinc/16/35/08/717163508.db2.gz	HISDAJRMKAJROU-IDZZOLMFSA-N	0	0	249.354	3.864	1	5		BHBFRN
C[C@@H]1CC[C@@H](c2ccoc2)[N@+]2([O-])C[C@@H](C)CC[C@@H]12	ZINC000253869736	717169097	/nfs/dbraw/zinc/16/90/97/717169097.db2.gz	HISDAJRMKAJROU-URLPEUOOSA-N	0	0	249.354	3.864	1	5		BHBFRN
O=[N+]([O-])c1ccccc1-c1cccc([S-])c1	ZINC000086862333	386959302	/nfs/dbraw/zinc/95/93/02/386959302.db2.gz	IFDCGVGBKBFUIS-UHFFFAOYSA-N	0	0	231.276	3.551	2	5		BHBFRN
O=[N+]([O-])c1ccc(-c2cccc([S-])c2)cc1	ZINC000086863270	386958333	/nfs/dbraw/zinc/95/83/33/386958333.db2.gz	SPWAAHADGQJGMJ-UHFFFAOYSA-N	0	0	231.276	3.551	2	5		BHBFRN
O=c1c2oc3ccccc3c2oc2ccccc21	ZINC000026897514	182989042	/nfs/dbraw/zinc/98/90/42/182989042.db2.gz	CNOBSSUHQGIKEQ-UHFFFAOYSA-N	0	0	236.226	3.692	3	5		BHBFRN