smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1	ZINC000023319422	570796107	/nfs/dbraw/zinc/79/61/07/570796107.db2.gz	WGEQVBXJAUGZEC-DEOSSOPVSA-N	1	2	399.469	4.245	10	30		GIEELO
CC(=CC(=O)Nc1ccc(Br)cc1)[NH2+]Nc1ccc([N+](=O)[O-])cc1	ZINC000005282610	204122766	/nfs/dbraw/zinc/12/27/66/204122766.db2.gz	DYPCXCUGPHKKFP-YBFXNURJSA-N	1	2	391.225	4.174	10	30		GIEELO
Cc1ccc(/N=C2\c3ccccc3N(C[NH+]3CCCC3)C2=O)cc1Br	ZINC000103758606	525973411	/nfs/dbraw/zinc/97/34/11/525973411.db2.gz	ONKONDDKQPBBQE-ZBJSNUHESA-N	1	2	398.304	4.278	10	30		GIEELO
N#Cc1cccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1	ZINC000023319424	570796278	/nfs/dbraw/zinc/79/62/78/570796278.db2.gz	WGEQVBXJAUGZEC-XMMPIXPASA-N	1	2	399.469	4.245	10	30		GIEELO
Cc1ccc(NC(=S)N2CC[NH+]=C(Nc3ccc(C)cc3)SCC2)cc1	ZINC000028114085	525968963	/nfs/dbraw/zinc/96/89/63/525968963.db2.gz	PHXYWALLWDOPMK-UHFFFAOYSA-N	1	2	384.574	4.326	10	30		GIEELO
CCN(CC)c1ccc(C=[NH+]Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1	ZINC000033377394	520884251	/nfs/dbraw/zinc/88/42/51/520884251.db2.gz	OWLRQXVAAJXZSI-UCQKPKSFSA-N	1	2	395.894	4.178	10	30		GIEELO
N#Cc1cc(Nc2nc(Cl)c3c(n2)CC[N@@H+](Cc2ccccc2)C3)ccc1F	ZINC000057343719	526573891	/nfs/dbraw/zinc/57/38/91/526573891.db2.gz	BDRMFDNRFRFEAL-UHFFFAOYSA-N	1	2	393.853	4.443	10	30		GIEELO
N#Cc1cc(Nc2nc(Cl)c3c(n2)CC[N@H+](Cc2ccccc2)C3)ccc1F	ZINC000057343719	526573900	/nfs/dbraw/zinc/57/39/00/526573900.db2.gz	BDRMFDNRFRFEAL-UHFFFAOYSA-N	1	2	393.853	4.443	10	30		GIEELO
N#Cc1ccccc1-c1ccc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccncc2)o1	ZINC000071765454	211060645	/nfs/dbraw/zinc/06/06/45/211060645.db2.gz	FJHMDGVCHJPNJO-QHCPKHFHSA-N	1	2	381.439	4.084	10	30		GIEELO
COc1ccc(/C=N/CCCC/[NH+]=C/c2ccc(OC)c(OC)c2)cc1OC	ZINC000018063237	523437670	/nfs/dbraw/zinc/43/76/70/523437670.db2.gz	CHCYTHMZDWZWQV-DFEHQXHXSA-N	1	2	384.476	4.039	10	30		GIEELO
C=CCN(Cc1[nH+]ccn1Cc1ccc(F)c(F)c1)C(=O)c1ccc(F)cc1	ZINC000006723928	518801639	/nfs/dbraw/zinc/80/16/39/518801639.db2.gz	CMHZHAIFJJWMAX-UHFFFAOYSA-N	1	2	385.389	4.177	10	30		GIEELO
O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc(O)c(Cl)c1	ZINC000027526311	527194791	/nfs/dbraw/zinc/19/47/91/527194791.db2.gz	JAIYCRMVSYSOJU-UHFFFAOYSA-O	1	2	388.274	4.284	10	30		GIEELO
N#Cc1ccccc1-c1ccc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccncc2)o1	ZINC000071765455	222195667	/nfs/dbraw/zinc/19/56/67/222195667.db2.gz	FJHMDGVCHJPNJO-HSZRJFAPSA-N	1	2	381.439	4.084	10	30		GIEELO