smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C(=O)c1ccc([O-])c(O)c1)C(C)C	ZINC000001996957	342714231	/nfs/dbraw/zinc/71/42/31/342714231.db2.gz	VPPGKTFYMWNQDC-SNVBAGLBSA-N	-1	1	222.284	2.963	10	10		BFCEMM
[O-]c1c(O)ccc(Cl)c1Br	ZINC000575676796	387359296	/nfs/dbraw/zinc/35/92/96/387359296.db2.gz	WVRXAOPMUHHEGO-UHFFFAOYSA-N	-1	1	223.453	2.514	10	10		BFCEMM
O=C1[N-]C(=S)C(=Cc2cccc(O)c2)S1	ZINC000072414727	187276593	/nfs/dbraw/zinc/27/65/93/187276593.db2.gz	YSEBVVMOZDKRAL-YVMONPNESA-N	-1	1	237.305	2.517	10	10		BFCEMM
O=C1[N-]C(=S)C(=Cc2ccc(O)cc2)S1	ZINC000072414054	343950282	/nfs/dbraw/zinc/95/02/82/343950282.db2.gz	IHUJBKQHRPGIFN-YVMONPNESA-N	-1	1	237.305	2.517	10	10		BFCEMM
O=C(Cc1ccc(F)cc1)c1ccc([O-])c(O)c1	ZINC000049525775	182036762	/nfs/dbraw/zinc/03/67/62/182036762.db2.gz	KVYRXZWBRHLYIL-UHFFFAOYSA-N	-1	1	246.237	2.662	10	10		BFCEMM
COC(=O)c1sc(C(C)(C)C)cc1[O-]	ZINC000040542621	342973212	/nfs/dbraw/zinc/97/32/12/342973212.db2.gz	UHXZQZDPRCRNMX-UHFFFAOYSA-N	-1	1	214.286	2.538	10	10		BFCEMM
CCc1cc(O)c([O-])c(Cl)c1Cl	ZINC000039096623	171769588	/nfs/dbraw/zinc/76/95/88/171769588.db2.gz	HMVXLLYCELRXSZ-UHFFFAOYSA-N	-1	1	207.056	2.967	10	10		BFCEMM
CC[C@H](C(=O)c1ccc([O-])c(O)c1)C(C)C	ZINC000001996956	171241963	/nfs/dbraw/zinc/24/19/63/171241963.db2.gz	VPPGKTFYMWNQDC-JTQLQIEISA-N	-1	1	222.284	2.963	10	10		BFCEMM
Oc1ccc2c(c1O)CN(Cc1ccccc1)C2	ZINC000200010519	344596550	/nfs/dbraw/zinc/59/65/50/344596550.db2.gz	OHAGPCMMEHVYNR-UHFFFAOYSA-N	-1	1	241.290	2.614	10	10		BFCEMM
O=C1[N-]C(=S)C(=Cc2ccccc2)S1	ZINC000002490352	187220532	/nfs/dbraw/zinc/22/05/32/187220532.db2.gz	ZXBRLSSWWJQDPF-VURMDHGXSA-N	-1	1	221.306	2.811	10	10		BFCEMM
COC(=O)c1sc2ccc(C)cc2c1[O-]	ZINC000231425384	358419564	/nfs/dbraw/zinc/41/95/64/358419564.db2.gz	CNOHQHDAMDHSRX-UHFFFAOYSA-N	-1	1	222.265	2.702	10	10		BFCEMM
Cc1c[nH]c(=O)c(NN=C2C=CC([O-])=CC2=O)c1	ZINC000038824544	343379581	/nfs/dbraw/zinc/37/95/81/343379581.db2.gz	FCXJCTOATONBDT-CCEZHUSRSA-N	-1	1	245.238	2.510	10	10		BFCEMM
[O-]c1c(O)cc(Br)cc1Cl	ZINC000306707435	350854651	/nfs/dbraw/zinc/85/46/51/350854651.db2.gz	MITREKDXHAESMR-UHFFFAOYSA-N	-1	1	223.453	2.514	10	10		BFCEMM
O=C1C=CC(=NNc2cccnc2)C([O-])=C1	ZINC000255976787	183275305	/nfs/dbraw/zinc/27/53/05/183275305.db2.gz	HMTUJNNHOFMWTO-UHFFFAOYSA-N	-1	1	215.212	2.908	10	10		BFCEMM
O=C1[N-]C(=S)C(=Cc2ccc(F)cc2)S1	ZINC000005766531	349279281	/nfs/dbraw/zinc/27/92/81/349279281.db2.gz	RZKSTKVXQLZHTI-YVMONPNESA-N	-1	1	239.296	2.950	10	10		BFCEMM
[O-]c1c(F)cccc1CNOCc1ccccc1	ZINC000096880787	183254120	/nfs/dbraw/zinc/25/41/20/183254120.db2.gz	CVTZHLQHYATXIY-UHFFFAOYSA-N	-1	1	247.269	2.753	10	10		BFCEMM
N[C@H](c1ccc(Cl)cc1[O-])C(F)(F)F	ZINC000072194967	181631195	/nfs/dbraw/zinc/63/11/95/181631195.db2.gz	TWJYSMDGXRQQHJ-SSDOTTSWSA-N	-1	1	225.597	2.608	10	10		BFCEMM