smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCCC1	ZINC000101590283	384446605	/nfs/dbraw/zinc/44/66/05/384446605.db2.gz	XAVWCPDQFDPQIN-UHFFFAOYSA-N	-1	0	246.137	3.295	20	10		BGCDRM
CCN(Cc1cccc(Cl)c1[O-])CC(F)F	ZINC000184092162	347916236	/nfs/dbraw/zinc/91/62/36/347916236.db2.gz	SMDYBJOGDDQLNF-UHFFFAOYSA-N	-1	0	249.688	3.133	20	10		BGCDRM
CC(C)(NCc1cccc(Cl)c1[O-])C(F)F	ZINC000309707187	711662522	/nfs/dbraw/zinc/66/25/22/711662522.db2.gz	VWXWNKCAJLVXHI-UHFFFAOYSA-N	-1	0	249.688	3.179	20	10		BGCDRM
[O-]c1c(CNc2ccccc2)ccc(F)c1F	ZINC000703306629	712072046	/nfs/dbraw/zinc/07/20/46/712072046.db2.gz	BJAZUNNIRABKEJ-UHFFFAOYSA-N	-1	0	235.233	3.283	20	10		BGCDRM
Cc1occc1C[NH2+][C@H](C)c1ccc(F)cc1[O-]	ZINC000756483121	585320127	/nfs/dbraw/zinc/32/01/27/585320127.db2.gz	NJNWNJRLALXUDA-SECBINFHSA-N	-1	0	249.285	3.284	20	10		BGCDRM
Cc1occc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-]	ZINC000756483123	585320217	/nfs/dbraw/zinc/32/02/17/585320217.db2.gz	NJNWNJRLALXUDA-VIFPVBQESA-N	-1	0	249.285	3.284	20	10		BGCDRM
CC(C)CCCOC(=O)C1=CC(=O)CS1	ZINC000758462872	585355976	/nfs/dbraw/zinc/35/59/76/585355976.db2.gz	PEJSMRQHUQNMCH-UHFFFAOYSA-N	-1	0	228.313	3.047	20	10		BGCDRM
C[C@H]1C[C@H](C)[NH+]1Cc1c(O)cccc1Cl	ZINC000793228139	586014703	/nfs/dbraw/zinc/01/47/03/586014703.db2.gz	JVNFSNRHZSYWPT-IUCAKERBSA-N	-1	0	225.719	3.028	20	10		BGCDRM
C[C@@H]1C[C@@H](C)[NH+]1Cc1c(O)cccc1Cl	ZINC000793228142	586014818	/nfs/dbraw/zinc/01/48/18/586014818.db2.gz	JVNFSNRHZSYWPT-RKDXNWHRSA-N	-1	0	225.719	3.028	20	10		BGCDRM
C[C@H]1C[C@H](C)[NH+]1Cc1cccc(Cl)c1[O-]	ZINC000793228495	586014803	/nfs/dbraw/zinc/01/48/03/586014803.db2.gz	MWDDWAUDLNLERX-IUCAKERBSA-N	-1	0	225.719	3.028	20	10		BGCDRM
C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc(Cl)c1[O-]	ZINC000793228497	586014887	/nfs/dbraw/zinc/01/48/87/586014887.db2.gz	MWDDWAUDLNLERX-RKDXNWHRSA-N	-1	0	225.719	3.028	20	10		BGCDRM
C[C@H]1C[C@H](C)[NH+]1Cc1cc(Cl)ccc1O	ZINC000793228812	586014647	/nfs/dbraw/zinc/01/46/47/586014647.db2.gz	RNINJILBHXZGIS-IUCAKERBSA-N	-1	0	225.719	3.028	20	10		BGCDRM
C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Cl)ccc1O	ZINC000793228813	586014915	/nfs/dbraw/zinc/01/49/15/586014915.db2.gz	RNINJILBHXZGIS-RKDXNWHRSA-N	-1	0	225.719	3.028	20	10		BGCDRM
Cc1cc(O)c(C[N@H+]2CC=CCC2)cc1Cl	ZINC000825446733	587319735	/nfs/dbraw/zinc/31/97/35/587319735.db2.gz	NLFVHFPFJQZPKZ-UHFFFAOYSA-N	-1	0	237.730	3.116	20	10		BGCDRM
Cc1cc(O)c(CNCC(C)(F)F)cc1Cl	ZINC000826016887	587348358	/nfs/dbraw/zinc/34/83/58/587348358.db2.gz	NBEKMKRSSAHIHC-UHFFFAOYSA-N	-1	0	249.688	3.099	20	10		BGCDRM
C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)[O-]	ZINC000827921865	587409745	/nfs/dbraw/zinc/40/97/45/587409745.db2.gz	JMRVSBUSOLIBAU-LURJTMIESA-N	-1	0	245.369	3.006	20	10		BGCDRM
C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)[O-]	ZINC000827921867	587410143	/nfs/dbraw/zinc/41/01/43/587410143.db2.gz	JMRVSBUSOLIBAU-ZCFIWIBFSA-N	-1	0	245.369	3.006	20	10		BGCDRM
CC(C)(C)C[C@@H](Sc1nccs1)C(=O)[O-]	ZINC000833429811	587715115	/nfs/dbraw/zinc/71/51/15/587715115.db2.gz	PCNLQIGXOBLPLT-SSDOTTSWSA-N	-1	0	245.369	3.125	20	10		BGCDRM
CC(C)(C)C[C@H](Sc1nccs1)C(=O)[O-]	ZINC000833429816	587715047	/nfs/dbraw/zinc/71/50/47/587715047.db2.gz	PCNLQIGXOBLPLT-ZETCQYMHSA-N	-1	0	245.369	3.125	20	10		BGCDRM
O=C([O-])N(Cc1ccccc1O)C1CCCCC1	ZINC000834063384	587743463	/nfs/dbraw/zinc/74/34/63/587743463.db2.gz	WVJUFVFGDYXQRO-UHFFFAOYSA-N	-1	0	249.310	3.205	20	10		BGCDRM
Cc1cc(O)c(C[N@@H+](C)C(C)C)c(Cl)c1	ZINC000840907360	587928501	/nfs/dbraw/zinc/92/85/01/587928501.db2.gz	DCEZPSXHWCGEPB-UHFFFAOYSA-N	-1	0	227.735	3.194	20	10		BGCDRM
Cc1cc(O)c(C[N@@H+](C)C2CCC2)c(Cl)c1	ZINC000840917810	587929551	/nfs/dbraw/zinc/92/95/51/587929551.db2.gz	NFNYOEAGWAEJMA-UHFFFAOYSA-N	-1	0	239.746	3.338	20	10		BGCDRM
Cc1cc(O)c(C[N@@H+]2CCC2(C)C)c(Cl)c1	ZINC000840918365	587929804	/nfs/dbraw/zinc/92/98/04/587929804.db2.gz	TYFAYNFYSALTEJ-UHFFFAOYSA-N	-1	0	239.746	3.338	20	10		BGCDRM
CC[C@@H](Sc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000844206928	588173857	/nfs/dbraw/zinc/17/38/57/588173857.db2.gz	PBVYGHNMOLDMOV-SSDOTTSWSA-N	-1	0	245.369	3.222	20	10		BGCDRM
CC[C@H](Sc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000844206929	588173651	/nfs/dbraw/zinc/17/36/51/588173651.db2.gz	PBVYGHNMOLDMOV-ZETCQYMHSA-N	-1	0	245.369	3.222	20	10		BGCDRM
CCCC[C@@H](Sc1ncc(C)s1)C(=O)[O-]	ZINC000849349116	588474324	/nfs/dbraw/zinc/47/43/24/588474324.db2.gz	RANORICXELFFOS-MRVPVSSYSA-N	-1	0	245.369	3.187	20	10		BGCDRM
CCCC[C@H](Sc1ncc(C)s1)C(=O)[O-]	ZINC000849349117	588474251	/nfs/dbraw/zinc/47/42/51/588474251.db2.gz	RANORICXELFFOS-QMMMGPOBSA-N	-1	0	245.369	3.187	20	10		BGCDRM