smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc(-c3ccccc3)cc(=O)n2[nH]1	ZINC000101714254	178300147	/nfs/dbraw/zinc/30/01/47/178300147.db2.gz	VQVKCROSNDUQKY-UHFFFAOYSA-N	0	2	225.251	2.410	1	0		BEAFLN
CC(C)OC(=O)c1cc(=O)c2ccc(O)cc2o1	ZINC000027991718	167172404	/nfs/dbraw/zinc/17/24/04/167172404.db2.gz	FHXLPRNZCWBHPD-UHFFFAOYSA-N	0	2	248.234	2.064	1	0		BEAFLN
COc1ccc(C(C)C)cc1[C@H]1OC(=O)NC1=O	ZINC000027863556	175069725	/nfs/dbraw/zinc/06/97/25/175069725.db2.gz	YJHJMJZEMIDMID-LLVKDONJSA-N	0	2	249.266	2.126	1	0		BEAFLN
CC1=C[C@@H]2CC(C)(C)[C@H]1C[C@H](O)C1=CC(=O)O[C@@H]12	ZINC000095603271	168126666	/nfs/dbraw/zinc/12/66/66/168126666.db2.gz	OPFPNLNBWGYRAV-GASQSECBSA-N	0	2	248.322	2.211	1	0		BEAFLN
CC1=C[C@@H]2CC(C)(C)[C@H]1C[C@H](O)C1=CC(=O)OC12	ZINC000095603271	168126671	/nfs/dbraw/zinc/12/66/71/168126671.db2.gz	OPFPNLNBWGYRAV-GASQSECBSA-N	0	2	248.322	2.211	1	0		BEAFLN
COc1ccc(C(C)C)cc1[C@@H]1OC(=O)NC1=O	ZINC000027863548	175069272	/nfs/dbraw/zinc/06/92/72/175069272.db2.gz	YJHJMJZEMIDMID-NSHDSACASA-N	0	2	249.266	2.126	1	0		BEAFLN
COc1ccc2c(ccc3[nH+]c(C(=O)[O-])cn32)c1	ZINC000039281647	175222737	/nfs/dbraw/zinc/22/27/37/175222737.db2.gz	OEXFFPIXFHWFDK-UHFFFAOYSA-N	0	2	242.234	2.194	1	0		BEAFLN
Cc1sc(CO[S@](C)=O)c(C)c1C	ZINC000015217306	560229404	/nfs/dbraw/zinc/22/94/04/560229404.db2.gz	BDJJRCFSZXNBSM-ZDUSSCGKSA-N	0	2	218.343	2.483	1	0	biogenic,in-vitro	BEAFLN
Cc1ccccc1-c1nnc(NN(C)C)s1	ZINC000026384560	179240347	/nfs/dbraw/zinc/24/03/47/179240347.db2.gz	BPRXXCVKTTZUPQ-UHFFFAOYSA-N	0	2	234.328	2.402	1	0		BEAFLN
Cc1ccccc1C(O)=C1C(=O)CCCC1=O	ZINC000100855601	179246070	/nfs/dbraw/zinc/24/60/70/179246070.db2.gz	ZGPNNJNODAAWSM-UHFFFAOYSA-N	0	2	230.263	2.116	1	0	in-vivo	BEAFLN
Cc1cc(=O)n2[nH]c(C(C)(C)C)cc2n1	ZINC000100789860	178201146	/nfs/dbraw/zinc/20/11/46/178201146.db2.gz	VTXSWWISJTWMJP-UHFFFAOYSA-N	0	2	205.261	2.041	1	0		BEAFLN
CCC[C@H]1C(=O)Nc2cccc3ncn(c32)C1=O	ZINC000005922820	169523780	/nfs/dbraw/zinc/52/37/80/169523780.db2.gz	LRFRFKHDOCURQI-QMMMGPOBSA-N	0	2	243.266	2.045	1	0		BEAFLN
CCCC1C(=O)Nc2cccc3ncn(c32)C1=O	ZINC000005922820	169523783	/nfs/dbraw/zinc/52/37/83/169523783.db2.gz	LRFRFKHDOCURQI-QMMMGPOBSA-N	0	2	243.266	2.045	1	0		BEAFLN
COc1cc2[nH+]c(C(=O)[O-])cn2c2ccccc12	ZINC000034216310	175028569	/nfs/dbraw/zinc/02/85/69/175028569.db2.gz	YTLBWWFUMFNEDB-UHFFFAOYSA-N	0	2	242.234	2.194	1	0		BEAFLN
O=Cc1c2ccoc2c(O)c2oc(=O)ccc12	ZINC000015217465	290765746	/nfs/dbraw/zinc/76/57/46/290765746.db2.gz	JZLIADGKTKXZFY-UHFFFAOYSA-N	0	2	230.175	2.057	1	0	biogenic,in-vitro	BEAFLN
CCCc1cc(O)c2c(O)cc(=O)cc-2o1	ZINC000006381623	560205659	/nfs/dbraw/zinc/20/56/59/560205659.db2.gz	VNMQMINAFBHHBP-UHFFFAOYSA-N	0	2	220.224	2.157	1	0	biogenic,in-vitro	BEAFLN