smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)CC1	ZINC000019889819	207168269	/nfs/dbraw/zinc/16/82/69/207168269.db2.gz	YBFPTZJGLMYERY-UHFFFAOYSA-N	2	2	382.346	2.757	50	10		GFCALP
COc1cccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)c1O	ZINC000000814090	570224768	/nfs/dbraw/zinc/22/47/68/570224768.db2.gz	GAHKVZPBIUKCFK-UHFFFAOYSA-N	2	2	382.464	2.695	50	10		GFCALP
C[N@H+](CCc1ccccn1)[C@@H]1CC[NH+](Cc2cc(Cl)ccc2O)C[C@H]1O	ZINC000011821562	570586273	/nfs/dbraw/zinc/58/62/73/570586273.db2.gz	QKVDUQALPQSUHX-UYAOXDASSA-N	2	2	375.900	2.550	50	10		GFCALP
C[N@@H+](CCc1ccccn1)[C@@H]1CC[NH+](Cc2cc(Cl)ccc2O)C[C@H]1O	ZINC000011821562	570586274	/nfs/dbraw/zinc/58/62/74/570586274.db2.gz	QKVDUQALPQSUHX-UYAOXDASSA-N	2	2	375.900	2.550	50	10		GFCALP
C[NH+](CCc1ccccn1)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O	ZINC000011821562	570586276	/nfs/dbraw/zinc/58/62/76/570586276.db2.gz	QKVDUQALPQSUHX-UYAOXDASSA-N	2	2	375.900	2.550	50	10		GFCALP
C[NH+](CCc1ccccn1)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1O	ZINC000011821562	570586278	/nfs/dbraw/zinc/58/62/78/570586278.db2.gz	QKVDUQALPQSUHX-UYAOXDASSA-N	2	2	375.900	2.550	50	10		GFCALP
CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(N(C)C)cc2)C3)CC1	ZINC000015779513	221344806	/nfs/dbraw/zinc/34/48/06/221344806.db2.gz	ZFKCLJOOJFEWEG-UHFFFAOYSA-N	2	2	394.567	2.633	50	10		GFCALP
CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(N(C)C)cc2)C3)CC1	ZINC000015779513	221344807	/nfs/dbraw/zinc/34/48/07/221344807.db2.gz	ZFKCLJOOJFEWEG-UHFFFAOYSA-N	2	2	394.567	2.633	50	10		GFCALP
CCn1c(C[N@@H+]2CCN(c3ccc(OC)cc3)C(C)(C)C2)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000244874870	570697665	/nfs/dbraw/zinc/69/76/65/570697665.db2.gz	XIRQDOMEJFMKKD-QAQDUYKDSA-N	2	2	398.555	2.612	50	10		GFCALP
CCn1c(C[N@H+]2CCN(c3ccc(OC)cc3)C(C)(C)C2)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000244874870	570697670	/nfs/dbraw/zinc/69/76/70/570697670.db2.gz	XIRQDOMEJFMKKD-QAQDUYKDSA-N	2	2	398.555	2.612	50	10		GFCALP