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+](CC)C[C@@H](O)CNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000005848410	204154146	/nfs/dbraw/zinc/15/41/46/204154146.db2.gz	UDDPPYHULIXFDV-HNNXBMFYSA-N	2	0	387.911	4.165	50	10	in-vitro	GICARP
COc1ccc(-n2c(C)cc(C[NH2+]Cc3ccc(C[NH+](C)C)cc3)c2C)cc1	ZINC000007736241	204248812	/nfs/dbraw/zinc/24/88/12/204248812.db2.gz	AJJRHQGMKZXYKY-UHFFFAOYSA-N	2	0	377.532	4.454	50	10		GICARP
Oc1ccccc1CN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1	ZINC000020918571	570284940	/nfs/dbraw/zinc/28/49/40/570284940.db2.gz	OJECQTWICQJBSV-JOCHJYFZSA-N	2	0	399.623	4.335	50	10		GICARP
COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)c1O	ZINC000012210602	818146602	/nfs/dbraw/zinc/14/66/02/818146602.db2.gz	ILNFSIQPUIQDRS-HXUWFJFHSA-N	2	0	382.548	4.096	50	10		GICARP
Cc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000007984382	533687833	/nfs/dbraw/zinc/68/78/33/533687833.db2.gz	HIAKCXFDZZIPMP-UHFFFAOYSA-N	2	0	383.536	4.222	50	10		GICARP
CC[NH+](CC)C[C@H](O)CNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000004416974	560198365	/nfs/dbraw/zinc/19/83/65/560198365.db2.gz	UDDPPYHULIXFDV-OAHLLOKOSA-N	2	0	387.911	4.165	50	10	in-vitro	GICARP
CC[N@@H+](Cc1c(O)cccc1OC)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000039393501	570590891	/nfs/dbraw/zinc/59/08/91/570590891.db2.gz	BNGFVOISQWDVFW-UHFFFAOYSA-N	2	0	396.575	4.486	50	10		GICARP
COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)c1O	ZINC000012210599	818146717	/nfs/dbraw/zinc/14/67/17/818146717.db2.gz	ILNFSIQPUIQDRS-FQEVSTJZSA-N	2	0	382.548	4.096	50	10		GICARP
CC[N@@H+](Cc1cc(OC)ccc1O)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000012576530	570875177	/nfs/dbraw/zinc/87/51/77/570875177.db2.gz	BOMCOIOSNKPSSY-UHFFFAOYSA-N	2	0	396.575	4.486	50	10		GICARP
Oc1ccccc1CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1	ZINC000020918565	210368924	/nfs/dbraw/zinc/36/89/24/210368924.db2.gz	OJECQTWICQJBSV-QFIPXVFZSA-N	2	0	399.623	4.335	50	10		GICARP
Oc1ccccc1C[N@@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1	ZINC000012308300	221179451	/nfs/dbraw/zinc/17/94/51/221179451.db2.gz	KHIQJXOQEZHDAZ-UHFFFAOYSA-N	2	0	379.548	4.444	50	10		GICARP