smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1Cl	ZINC000013748976	524923874	/nfs/dbraw/zinc/92/38/74/524923874.db2.gz	HGSUBUKWNDKVMP-BOPFTXTBSA-N	-1	2	450.834	5.113	50	10		JKCALM
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1	ZINC000016265008	526368947	/nfs/dbraw/zinc/36/89/47/526368947.db2.gz	OLDCVNCBFVFRID-CIAFOILYSA-N	-1	2	476.872	5.124	50	10		JKCALM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1	ZINC000015799458	556007803	/nfs/dbraw/zinc/00/78/03/556007803.db2.gz	CLLDKRMIDVGSPA-WOJGMQOQSA-N	-1	2	495.285	5.222	50	10		JKCALM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1	ZINC000015799748	556008004	/nfs/dbraw/zinc/00/80/04/556008004.db2.gz	YHTWBIAGZUJOKU-WOJGMQOQSA-N	-1	2	495.285	5.222	50	10		JKCALM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)c1	ZINC000015769415	555988439	/nfs/dbraw/zinc/98/84/39/555988439.db2.gz	KACPTEVDOLDBCA-LDADJPATSA-N	-1	2	480.860	5.204	50	10		JKCALM
Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000016247022	524729069	/nfs/dbraw/zinc/72/90/69/524729069.db2.gz	JSKJARSILVGBQN-NDENLUEZSA-N	-1	2	490.899	5.432	50	10		JKCALM
O=C([O-])c1cccc(COc2ccccc2C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000016213198	526389512	/nfs/dbraw/zinc/38/95/12/526389512.db2.gz	HPEMLJYIPOYOBU-DEDYPNTBSA-N	-1	2	476.872	5.124	50	10		JKCALM
O=C([O-])c1ccc(N2N=C(c3ccccc3)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1	ZINC000013914348	555646406	/nfs/dbraw/zinc/64/64/06/555646406.db2.gz	BADQDZRAXXMCIM-YVLHZVERSA-N	-1	2	453.281	5.232	50	10		JKCALM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1	ZINC000014010747	555670208	/nfs/dbraw/zinc/67/02/08/555670208.db2.gz	MXZRIRPUFHVWCU-WOJGMQOQSA-N	-1	2	495.285	5.222	50	10		JKCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)c1	ZINC000027520656	556283630	/nfs/dbraw/zinc/28/36/30/556283630.db2.gz	ZVZLWJSRYANFIM-WQRHYEAKSA-N	-1	2	464.861	5.422	50	10		JKCALM
O=C([O-])c1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000016248019	526368904	/nfs/dbraw/zinc/36/89/04/526368904.db2.gz	NYJLSWWCZKLNMH-DEDYPNTBSA-N	-1	2	476.872	5.124	50	10		JKCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1C	ZINC000013809753	555624508	/nfs/dbraw/zinc/62/45/08/555624508.db2.gz	WPANNHIHSDCIGZ-HYARGMPZSA-N	-1	2	470.481	5.087	50	10		JKCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1Cl	ZINC000020191532	555692683	/nfs/dbraw/zinc/69/26/83/555692683.db2.gz	CLNRXWIYEDCSAB-BOPFTXTBSA-N	-1	2	450.834	5.113	50	10		JKCALM
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000020123614	555655426	/nfs/dbraw/zinc/65/54/26/555655426.db2.gz	USCHEGWTLRUPFS-XWCAUFEOSA-N	-1	2	458.470	5.665	50	10		JKCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000015723474	563011721	/nfs/dbraw/zinc/01/17/21/563011721.db2.gz	YBEAEJVYDYSFMW-GZTJUZNOSA-N	-1	2	450.834	5.113	50	10		JKCALM
COc1ccc(-c2nnc(N=Cc3c(C)[nH]n(-c4c(Cl)cc(Cl)cc4Cl)c3=O)s2)cc1	ZINC000103785122	569838050	/nfs/dbraw/zinc/83/80/50/569838050.db2.gz	BPSOBEVGTSCXID-ZROIWOOFSA-N	-1	2	494.791	5.892	50	10		JKCALM
C[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@H+]2CCCC[C@H]2C)c(O)c2c(=O)cc(-c3ccccc3)oc12	ZINC000252182587	570079764	/nfs/dbraw/zinc/07/97/64/570079764.db2.gz	QGPIZOQEGOUCIZ-WOJBJXKFSA-N	-1	2	476.617	5.620	50	10	biogenic	JKCALM
Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)ccc1Br	ZINC000001211221	194071518	/nfs/dbraw/zinc/07/15/18/194071518.db2.gz	QPPAJVAQIURVFX-VZUCSPMQSA-N	-1	2	470.106	5.277	50	10		JKCALM
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000014010709	526092286	/nfs/dbraw/zinc/09/22/86/526092286.db2.gz	XKRQIIFYWDERTH-OCKHKDLRSA-N	-1	2	481.867	5.092	50	10		JKCALM
CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000020123616	555655459	/nfs/dbraw/zinc/65/54/59/555655459.db2.gz	USCHEGWTLRUPFS-JTMDUIFQSA-N	-1	2	458.470	5.665	50	10		JKCALM
O=C([O-])c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3Cl)C2=O)cc1	ZINC000002990917	194196479	/nfs/dbraw/zinc/19/64/79/194196479.db2.gz	WXAAQMQCTYZKOD-UYRXBGFRSA-N	-1	2	476.872	5.124	50	10		JKCALM
O=C([O-])c1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000016267378	526368603	/nfs/dbraw/zinc/36/86/03/526368603.db2.gz	FMXUFASHEBKTRY-UDWIEESQSA-N	-1	2	494.862	5.263	50	10		JKCALM
O=C([O-])c1cccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)c1	ZINC000016266449	526387420	/nfs/dbraw/zinc/38/74/20/526387420.db2.gz	LJANPLWACDDTLM-UVTDQMKNSA-N	-1	2	471.252	5.458	50	10		JKCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c1	ZINC000014011193	555670326	/nfs/dbraw/zinc/67/03/26/555670326.db2.gz	KYDIALMWTSAEFZ-WOJGMQOQSA-N	-1	2	464.861	5.422	50	10		JKCALM
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1Cl	ZINC000008768948	554669662	/nfs/dbraw/zinc/66/96/62/554669662.db2.gz	CPLCWUSXBMIXDB-MHWRWJLKSA-N	-1	2	471.252	5.458	50	10		JKCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)C2=O)cc1	ZINC000013898396	555644860	/nfs/dbraw/zinc/64/48/60/555644860.db2.gz	RGXGFOFFOJSKFQ-UDWIEESQSA-N	-1	2	490.899	5.432	50	10		JKCALM