smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)cc(N[C@@H](C)c2ccc(F)cc2[O-])c1	ZINC000062744906	524438749	/nfs/dbraw/zinc/43/87/49/524438749.db2.gz	XZWNOBPOISTVSF-LBPRGKRZSA-N	-1	3	259.324	4.321	10	10		CICEHM
[O-]c1ccc(Cl)cc1CNc1cc(F)c(F)cc1F	ZINC000061093133	526346940	/nfs/dbraw/zinc/34/69/40/526346940.db2.gz	WPNNIEZCNHWNJD-UHFFFAOYSA-N	-1	3	287.668	4.075	10	10		CICEHM
Cc1ccc(C2=NN[C@@H](c3cc(C(C)C)ccc3[O-])C2)cc1	ZINC000020390333	171179172	/nfs/dbraw/zinc/17/91/72/171179172.db2.gz	HNRLDYUIWQKZRO-GOSISDBHSA-N	-1	3	294.398	4.263	10	10		CICEHM
C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccc(F)c(F)c1	ZINC000062746271	525608167	/nfs/dbraw/zinc/60/81/67/525608167.db2.gz	JNJOBVHUUKICEJ-ZJUUUORDSA-N	-1	3	295.304	4.221	10	10		CICEHM
[O-]c1ccc2ccccc2c1CNc1ccc(F)c(F)c1	ZINC000019918149	170926702	/nfs/dbraw/zinc/92/67/02/170926702.db2.gz	HWCJJEXWJILSSL-UHFFFAOYSA-N	-1	3	285.293	4.436	10	10		CICEHM
CC(C)c1ccc([O-])c([C@H]2CC(c3cccs3)=NN2)c1	ZINC000020390360	171178665	/nfs/dbraw/zinc/17/86/65/171178665.db2.gz	ULFDIXUALVOWMB-CYBMUJFWSA-N	-1	3	286.400	4.016	10	10		CICEHM
Cc1cc(C)cc(N[C@H](C)c2ccc(F)cc2[O-])c1	ZINC000062744907	524437950	/nfs/dbraw/zinc/43/79/50/524437950.db2.gz	XZWNOBPOISTVSF-GFCCVEGCSA-N	-1	3	259.324	4.321	10	10		CICEHM
Cc1ccc2oc(-c3ccc(-n4cccc4)cc3[O-])nc2c1	ZINC000226281896	567040391	/nfs/dbraw/zinc/04/03/91/567040391.db2.gz	LREZCHQDYRSTMK-UHFFFAOYSA-N	-1	3	290.322	4.300	10	10		CICEHM
[O-]c1cc(-n2cccc2)ccc1-c1nc2ccccc2s1	ZINC000226281852	567040309	/nfs/dbraw/zinc/04/03/09/567040309.db2.gz	HGRMNLYTGXBEOF-UHFFFAOYSA-N	-1	3	292.363	4.460	10	10		CICEHM
C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccco1	ZINC000035738846	172392661	/nfs/dbraw/zinc/39/26/61/172392661.db2.gz	XMHWJTSTNZXAMJ-QMMMGPOBSA-N	-1	3	286.158	4.143	10	10		CICEHM
C[C@@H](Nc1cccnc1)c1ccc2ccccc2c1[O-]	ZINC000019884263	170909065	/nfs/dbraw/zinc/90/90/65/170909065.db2.gz	LXMJZBDXVKCNJC-GFCCVEGCSA-N	-1	3	264.328	4.114	10	10		CICEHM
CC(C)c1ccc([O-])c([C@@H]2CC(c3cccs3)=NN2)c1	ZINC000020390357	171178876	/nfs/dbraw/zinc/17/88/76/171178876.db2.gz	ULFDIXUALVOWMB-ZDUSSCGKSA-N	-1	3	286.400	4.016	10	10		CICEHM
C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccco1	ZINC000035738847	172392374	/nfs/dbraw/zinc/39/23/74/172392374.db2.gz	XMHWJTSTNZXAMJ-MRVPVSSYSA-N	-1	3	286.158	4.143	10	10		CICEHM
C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)cc1[O-]	ZINC000062746272	525606368	/nfs/dbraw/zinc/60/63/68/525606368.db2.gz	JNJOBVHUUKICEJ-VHSXEESVSA-N	-1	3	295.304	4.221	10	10		CICEHM
CC(C)c1ccc([O-])c([C@H]2CC(c3ccc(F)cc3)=NN2)c1	ZINC000020390342	171179110	/nfs/dbraw/zinc/17/91/10/171179110.db2.gz	KIZORGPJLHCWLH-QGZVFWFLSA-N	-1	3	298.361	4.093	10	10		CICEHM
C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1ccc(F)c(F)c1	ZINC000062746273	525660667	/nfs/dbraw/zinc/66/06/67/525660667.db2.gz	JNJOBVHUUKICEJ-NXEZZACHSA-N	-1	3	295.304	4.221	10	10		CICEHM
CC(C)c1ccc([O-])c([C@@H]2CC(c3ccc(F)cc3)=NN2)c1	ZINC000020390337	171178730	/nfs/dbraw/zinc/17/87/30/171178730.db2.gz	KIZORGPJLHCWLH-KRWDZBQOSA-N	-1	3	298.361	4.093	10	10		CICEHM
Cc1ccc([C@H](C)N[C@H](C)c2cc(Cl)ccc2[O-])o1	ZINC000184881084	262032624	/nfs/dbraw/zinc/03/26/24/262032624.db2.gz	LOKDUIPJOJPYFO-MNOVXSKESA-N	-1	3	279.767	4.359	10	10		CICEHM
O=C1C=CC(=NNc2cc(Br)ccc2[O-])C=C1	ZINC000005714793	170132489	/nfs/dbraw/zinc/13/24/89/170132489.db2.gz	PKXSRBIGUJRMDX-CCEZHUSRSA-N	-1	3	293.120	4.276	10	10		CICEHM
C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccc(F)c(F)c1	ZINC000062746270	525530379	/nfs/dbraw/zinc/53/03/79/525530379.db2.gz	JNJOBVHUUKICEJ-UWVGGRQHSA-N	-1	3	295.304	4.221	10	10		CICEHM
Cc1ccc([C@H](C)N[C@@H](C)c2cc(Cl)ccc2[O-])o1	ZINC000184881053	262032268	/nfs/dbraw/zinc/03/22/68/262032268.db2.gz	LOKDUIPJOJPYFO-QWRGUYRKSA-N	-1	3	279.767	4.359	10	10		CICEHM
[O-]c1ccc2ccccc2c1CNc1cc(F)ccc1F	ZINC000019907802	170919880	/nfs/dbraw/zinc/91/98/80/170919880.db2.gz	BJEAYZYZUVDAJN-UHFFFAOYSA-N	-1	3	285.293	4.436	10	10		CICEHM
[O-]c1ccc(Cl)cc1CNc1cccc(Cl)c1F	ZINC000020472277	171215406	/nfs/dbraw/zinc/21/54/06/171215406.db2.gz	XWOVMLKPXLWYAQ-UHFFFAOYSA-N	-1	3	286.133	4.450	10	10		CICEHM
Cc1ccc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2[O-])o1	ZINC000184881035	262032733	/nfs/dbraw/zinc/03/27/33/262032733.db2.gz	LOKDUIPJOJPYFO-WDEREUQCSA-N	-1	3	279.767	4.359	10	10		CICEHM
Cc1ccc(C2=NN[C@H](c3cc(C(C)C)ccc3[O-])C2)cc1	ZINC000020390328	171178740	/nfs/dbraw/zinc/17/87/40/171178740.db2.gz	HNRLDYUIWQKZRO-SFHVURJKSA-N	-1	3	294.398	4.263	10	10		CICEHM
Cc1ccc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2[O-])o1	ZINC000184881070	262032435	/nfs/dbraw/zinc/03/24/35/262032435.db2.gz	LOKDUIPJOJPYFO-GHMZBOCLSA-N	-1	3	279.767	4.359	10	10		CICEHM