smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H]1CCC[N@H+](Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)C1	ZINC000045192791	205092115	/nfs/dbraw/zinc/09/21/15/205092115.db2.gz	DVMVKAUVYIEADF-JOCHJYFZSA-N	2	2	382.511	4.820	1	0		GJAFLP
[NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)C1	ZINC000045192791	205092118	/nfs/dbraw/zinc/09/21/18/205092118.db2.gz	DVMVKAUVYIEADF-JOCHJYFZSA-N	2	2	382.511	4.820	1	0		GJAFLP
FC(F)(F)c1ccc(OC2[C@@H](n3cc[nH+]c3)CCC[C@@H]2n2cc[nH+]c2)cc1	ZINC000040865887	205073649	/nfs/dbraw/zinc/07/36/49/205073649.db2.gz	DNBQVPSYYPANAF-IRXDYDNUSA-N	2	2	376.382	4.512	1	0		GJAFLP
Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	ZINC000040892565	205073787	/nfs/dbraw/zinc/07/37/87/205073787.db2.gz	SPYCOXXWISSDNI-UHFFFAOYSA-N	2	2	376.947	4.858	1	0		GJAFLP
[NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)C1	ZINC000045334695	205096474	/nfs/dbraw/zinc/09/64/74/205096474.db2.gz	QTLVOXXTKQYZSN-OAQYLSRUSA-N	2	2	386.474	4.569	1	0		GJAFLP
[NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)C1	ZINC000045334695	205096477	/nfs/dbraw/zinc/09/64/77/205096477.db2.gz	QTLVOXXTKQYZSN-OAQYLSRUSA-N	2	2	386.474	4.569	1	0		GJAFLP
C[NH+](C)CCC[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1	ZINC000096907878	211351138	/nfs/dbraw/zinc/35/11/38/211351138.db2.gz	MJZSDTNGDZRDHV-UHFFFAOYSA-N	2	2	395.978	4.683	1	0		GJAFLP
[NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1	ZINC000045167196	205093025	/nfs/dbraw/zinc/09/30/25/205093025.db2.gz	WNMQBALMSCQORM-GOSISDBHSA-N	2	2	388.540	4.882	1	0		GJAFLP
[NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1	ZINC000045167196	205093030	/nfs/dbraw/zinc/09/30/30/205093030.db2.gz	WNMQBALMSCQORM-GOSISDBHSA-N	2	2	388.540	4.882	1	0		GJAFLP
c1[nH]c2c(cccc2N2CC[NH+]([C@@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)[nH+]1	ZINC000101181262	222468607	/nfs/dbraw/zinc/46/86/07/222468607.db2.gz	MBJMKBASUQRTPR-KDURUIRLSA-N	2	2	399.542	4.893	1	0		GJAFLP
Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cccc3c2n1[C@@H](C)CC3	ZINC000013740443	206996625	/nfs/dbraw/zinc/99/66/25/206996625.db2.gz	YSCAQEMUFUFOJY-IBGZPJMESA-N	2	2	388.559	4.525	1	0		GJAFLP
Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cccc3c2n1[C@H](C)CC3	ZINC000013740442	221287409	/nfs/dbraw/zinc/28/74/09/221287409.db2.gz	YSCAQEMUFUFOJY-LJQANCHMSA-N	2	2	388.559	4.525	1	0		GJAFLP
CC(C)CC1=[NH+]CCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21	ZINC000013532820	221271630	/nfs/dbraw/zinc/27/16/30/221271630.db2.gz	KAYDXYLLTFTKMT-UHFFFAOYSA-N	2	2	398.510	4.767	1	0		GJAFLP
Cc1ccc(-c2nc(C[NH+]3CCN(c4cc(C)[nH+]c5ccccc54)CC3)co2)cc1	ZINC000072185702	136167684	/nfs/dbraw/zinc/16/76/84/136167684.db2.gz	UCFUEGXKXWETIL-UHFFFAOYSA-N	2	2	398.510	4.829	1	0		GJAFLP
CCCC(=O)[C@H]([NH3+])CC1=CC(OC)=C[N@H+]2C3=CCCC[C@]34CC=CC=C4C2=C1	ZINC000064539696	222072922	/nfs/dbraw/zinc/07/29/22/222072922.db2.gz	NCDDOKYQRTXQNS-YKSBVNFPSA-N	2	2	378.516	4.641	1	0		GJAFLP
CCCC(=O)[C@H]([NH3+])CC1=CC(OC)=C[N@@H+]2C3=CCCC[C@]34CC=CC=C4C2=C1	ZINC000064539696	222072924	/nfs/dbraw/zinc/07/29/24/222072924.db2.gz	NCDDOKYQRTXQNS-YKSBVNFPSA-N	2	2	378.516	4.641	1	0		GJAFLP
CN(C)c1ccc2[nH+]c(N[C@H]3CCC[C@H]([NH2+]Cc4ccsc4)C3)ccc2c1	ZINC000028950888	207350634	/nfs/dbraw/zinc/35/06/34/207350634.db2.gz	MPHCWJWRJZOEJE-OALUTQOASA-N	2	2	380.561	4.875	1	0		GJAFLP
[NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1	ZINC000045168776	221959190	/nfs/dbraw/zinc/95/91/90/221959190.db2.gz	OQGXVATZPCOFJL-SFHVURJKSA-N	2	2	388.540	4.882	1	0		GJAFLP
[NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1	ZINC000045168776	221959192	/nfs/dbraw/zinc/95/91/92/221959192.db2.gz	OQGXVATZPCOFJL-SFHVURJKSA-N	2	2	388.540	4.882	1	0		GJAFLP
Fc1ccc(CC[NH2+][C@@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)[NH2+]C2)cc1	ZINC000026291693	207312085	/nfs/dbraw/zinc/31/20/85/207312085.db2.gz	WKLBFENBPOHLAL-RPBOFIJWSA-N	2	2	388.530	4.911	1	0		GJAFLP
c1[nH]c2c(cccc2N2CC[NH+]([C@@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)[nH+]1	ZINC000101181259	208387698	/nfs/dbraw/zinc/38/76/98/208387698.db2.gz	MBJMKBASUQRTPR-WGSAOQKQSA-N	2	2	399.542	4.893	1	0		GJAFLP