smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\[O-])c1ccccc1OCc1cccc(Cl)c1	ZINC000021510057	171309779	/nfs/dbraw/zinc/30/97/79/171309779.db2.gz	ULLCDBRRDBHMMQ-GZTJUZNOSA-N	-1	1	275.735	4.117	10	30		CIEEMM
N#CC(=C([O-])c1ccco1)c1ccc(Cl)cc1Cl	ZINC000006829191	170247437	/nfs/dbraw/zinc/24/74/37/170247437.db2.gz	WKWYFHTYWPUXEF-SNVBAGLBSA-N	-1	1	280.110	4.076	10	30		CIEEMM
N#CC(=C([O-])c1ccco1)c1ccc(Cl)cc1Cl	ZINC000006829190	170247555	/nfs/dbraw/zinc/24/75/55/170247555.db2.gz	WKWYFHTYWPUXEF-JTQLQIEISA-N	-1	1	280.110	4.076	10	30		CIEEMM
CC/C(=N\[O-])c1ccccc1OCc1ccc(C)cc1	ZINC000021501568	171305321	/nfs/dbraw/zinc/30/53/21/171305321.db2.gz	NOVJPSRQRPJJBV-FBMGVBCBSA-N	-1	1	269.344	4.162	10	30		CIEEMM
C/C(=N\[O-])c1ccccc1OCc1ccc(Cl)cc1	ZINC000021504431	171307272	/nfs/dbraw/zinc/30/72/72/171307272.db2.gz	WVHIWJKVYJZSIV-GZTJUZNOSA-N	-1	1	275.735	4.117	10	30		CIEEMM
O=C(/C=C/C=C/C=C/c1ccc(O)cc1)c1ccc([O-])cc1	ZINC000013378219	560215653	/nfs/dbraw/zinc/21/56/53/560215653.db2.gz	WRCGSWXFJPRBPO-CRQXNEITSA-N	-1	1	292.334	4.106	10	30	in-vitro	CIEEMM
[O-]/N=C(/c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1	ZINC000095348038	567909571	/nfs/dbraw/zinc/90/95/71/567909571.db2.gz	RJMHPYQVYMXUIU-CPNJWEJPSA-N	-1	1	283.224	4.071	10	30		CIEEMM
C/C(=N\[O-])c1cccc(OCc2ccccc2Cl)c1	ZINC000022154265	171361534	/nfs/dbraw/zinc/36/15/34/171361534.db2.gz	YGCXBAXVOIYIDO-GZTJUZNOSA-N	-1	1	275.735	4.117	10	30		CIEEMM
CC(C)C/C(=N/[O-])c1ccccc1NC(=O)OC(C)(C)C	ZINC000065735064	519547740	/nfs/dbraw/zinc/54/77/40/519547740.db2.gz	AKZYIZTWBFHYFZ-JXAWBTAJSA-N	-1	1	292.379	4.258	10	30	in-vitro	CIEEMM
N#Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1[O-]	ZINC000065341658	518196474	/nfs/dbraw/zinc/19/64/74/518196474.db2.gz	XXGQEMUGZYUYEI-UHFFFAOYSA-N	-1	1	281.208	4.089	10	30		CIEEMM
CCCCCCCCc1c(C)nc(SC)[n-]c1=O	ZINC000106190261	528133005	/nfs/dbraw/zinc/13/30/05/528133005.db2.gz	IMSLAVMJINJFMA-UHFFFAOYSA-N	-1	1	268.426	4.116	10	30		CIEEMM
CC(C)C1=CC(=Nc2ccccc2[O-])C=C(C(C)C)C1=O	ZINC000005188246	170074720	/nfs/dbraw/zinc/07/47/20/170074720.db2.gz	BBVOJXIZTRBIJM-UHFFFAOYSA-N	-1	1	283.371	4.212	10	30		CIEEMM
CCCCCCCCN1Cc2ccc(C(=O)[O-])cc2C1	ZINC000104680517	186013738	/nfs/dbraw/zinc/01/37/38/186013738.db2.gz	IASLZJCEVQMFIZ-UHFFFAOYSA-N	-1	1	275.392	4.061	10	30		CIEEMM
Cc1cc(-c2ccc(/C=N/[O-])o2)c(C)cc1Br	ZINC000100684803	567913670	/nfs/dbraw/zinc/91/36/70/567913670.db2.gz	TYQHUEPQIOOBDR-VIZOYTHASA-N	-1	1	294.148	4.134	10	30		CIEEMM
N#Cc1cc(-c2cccc(C(F)(F)F)c2F)ccc1[O-]	ZINC000065341654	175711126	/nfs/dbraw/zinc/71/11/26/175711126.db2.gz	ZNZROLQGFWOSAD-UHFFFAOYSA-N	-1	1	281.208	4.089	10	30		CIEEMM
N#Cc1ccc(-c2cccc(Cl)c2Cl)cc1[O-]	ZINC000065341590	175711300	/nfs/dbraw/zinc/71/13/00/175711300.db2.gz	XOLPUAXVQXJBDE-UHFFFAOYSA-N	-1	1	264.111	4.238	10	30		CIEEMM