smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1c(Cl)cc(Cl)cc1CNc1ccc(Cl)c(Cl)c1	ZINC000020018453	212093831	/nfs/dbraw/zinc/09/38/31/212093831.db2.gz	BBQKOZHMFRJQRE-UHFFFAOYSA-N	0	1	337.033	5.618	10	10		EKCEMN
Oc1c(Cl)cc(Cl)cc1CNc1ccc(Br)cc1	ZINC000020021835	202029401	/nfs/dbraw/zinc/02/94/01/202029401.db2.gz	ZIEYLGVSQCZRGE-UHFFFAOYSA-N	0	1	347.039	5.074	10	10		EKCEMN
Oc1c(Cl)cc(Cl)cc1CNc1ccc(Cl)cc1Cl	ZINC000020550938	212147044	/nfs/dbraw/zinc/14/70/44/212147044.db2.gz	UOGDKSSQDBCTTJ-UHFFFAOYSA-N	0	1	337.033	5.618	10	10		EKCEMN
Oc1c(Cl)cc(Cl)cc1CNc1ccccc1Br	ZINC000020557472	212146995	/nfs/dbraw/zinc/14/69/95/212146995.db2.gz	OYEKRBALKVXDMI-UHFFFAOYSA-N	0	1	347.039	5.074	10	10		EKCEMN
CC[C@@H]([NH2+][C@@H](C)CCC(C)C)c1cc(Br)ccc1[O-]	ZINC000020560914	212147950	/nfs/dbraw/zinc/14/79/50/212147950.db2.gz	LLGVZFSYDUBLBV-SWLSCSKDSA-N	0	1	328.294	5.020	10	10		EKCEMN
CC[C@H]([NH2+][C@@H](C)CCC(C)C)c1cc(Br)ccc1[O-]	ZINC000020560917	212147467	/nfs/dbraw/zinc/14/74/67/212147467.db2.gz	LLGVZFSYDUBLBV-WFASDCNBSA-N	0	1	328.294	5.020	10	10		EKCEMN
CC[C@@H]([NH2+][C@H](C)CCC(C)C)c1cc(Br)ccc1[O-]	ZINC000020560920	212148164	/nfs/dbraw/zinc/14/81/64/212148164.db2.gz	LLGVZFSYDUBLBV-IUODEOHRSA-N	0	1	328.294	5.020	10	10		EKCEMN
CC[C@H]([NH2+][C@H](C)CCC(C)C)c1cc(Br)ccc1[O-]	ZINC000020560923	212147459	/nfs/dbraw/zinc/14/74/59/212147459.db2.gz	LLGVZFSYDUBLBV-DOMZBBRYSA-N	0	1	328.294	5.020	10	10		EKCEMN
Oc1c(Cl)cc(Cl)cc1CNc1cc(Cl)ccc1Cl	ZINC000021024600	212200588	/nfs/dbraw/zinc/20/05/88/212200588.db2.gz	ACGSHAPLIFCJKG-UHFFFAOYSA-N	0	1	337.033	5.618	10	10		EKCEMN
CNc1ccc(Nc2c3ccccc3nc3cc(Cl)ccc32)cc1	ZINC000040848719	213393656	/nfs/dbraw/zinc/39/36/56/213393656.db2.gz	HEIPHLNOBNZDAP-UHFFFAOYSA-N	0	1	333.822	5.827	10	10		EKCEMN
CN(C)c1ccc(Nc2c3ccccc3nc3cc(Cl)ccc32)cc1	ZINC000040860403	213394394	/nfs/dbraw/zinc/39/43/94/213394394.db2.gz	WYBWVNHXJFKPTG-UHFFFAOYSA-N	0	1	347.849	5.851	10	10		EKCEMN
CCC(CC)[C@@H](C)[NH2+][C@@H](CC)c1cc(Br)ccc1[O-]	ZINC000104446995	206492972	/nfs/dbraw/zinc/49/29/72/206492972.db2.gz	DUDPQYJRMAQEQA-ABAIWWIYSA-N	0	1	328.294	5.020	10	10		EKCEMN
CCC(CC)[C@H](C)[NH2+][C@@H](CC)c1cc(Br)ccc1[O-]	ZINC000104446999	219387595	/nfs/dbraw/zinc/38/75/95/219387595.db2.gz	DUDPQYJRMAQEQA-NHYWBVRUSA-N	0	1	328.294	5.020	10	10		EKCEMN
CCC(CC)[C@@H](C)[NH2+][C@H](CC)c1cc(Br)ccc1[O-]	ZINC000104447001	206493542	/nfs/dbraw/zinc/49/35/42/206493542.db2.gz	DUDPQYJRMAQEQA-IAQYHMDHSA-N	0	1	328.294	5.020	10	10		EKCEMN
CCC(CC)[C@H](C)[NH2+][C@H](CC)c1cc(Br)ccc1[O-]	ZINC000104447004	219387445	/nfs/dbraw/zinc/38/74/45/219387445.db2.gz	DUDPQYJRMAQEQA-XHDPSFHLSA-N	0	1	328.294	5.020	10	10		EKCEMN