smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Fc1ccc(C[N@H+](CC2CC2)C2CCNCC2)c(C(F)(F)F)c1	ZINC000036093179	202315226	/nfs/dbraw/zinc/31/52/26/202315226.db2.gz	SKZBOHXRCSRFPS-UHFFFAOYSA-N	1	3	330.369	3.809	1	0		EHAFHO
Fc1ccc(C[N@@H+](CC2CC2)C2CCNCC2)c(C(F)(F)F)c1	ZINC000036093179	202315230	/nfs/dbraw/zinc/31/52/30/202315230.db2.gz	SKZBOHXRCSRFPS-UHFFFAOYSA-N	1	3	330.369	3.809	1	0		EHAFHO
c1ccc2c(c1)onc2C1CC[NH+](CCCN2CCCCC2)CC1	ZINC000034801047	202277589	/nfs/dbraw/zinc/27/75/89/202277589.db2.gz	SAPBLMHILRUAOB-UHFFFAOYSA-N	1	3	327.472	3.883	1	0		EHAFHO
CN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000055133490	214278019	/nfs/dbraw/zinc/27/80/19/214278019.db2.gz	YSCFJWKZERANJL-PZJWPPBQSA-N	1	3	338.499	3.569	1	0		EHAFHO
CN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000055133490	214278023	/nfs/dbraw/zinc/27/80/23/214278023.db2.gz	YSCFJWKZERANJL-PZJWPPBQSA-N	1	3	338.499	3.569	1	0		EHAFHO
N=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])cc3)s2)s1	ZINC000066166513	215019308	/nfs/dbraw/zinc/01/93/08/215019308.db2.gz	HGWVHLHYNXWUEA-UHFFFAOYSA-N	1	3	326.450	3.712	1	0		EHAFHO
CC(C)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCNCC1	ZINC000036093169	213062047	/nfs/dbraw/zinc/06/20/47/213062047.db2.gz	DPQLHMMSFBIQBE-UHFFFAOYSA-N	1	3	330.394	3.795	1	0		EHAFHO
CC(C)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCNCC1	ZINC000036093169	213062048	/nfs/dbraw/zinc/06/20/48/213062048.db2.gz	DPQLHMMSFBIQBE-UHFFFAOYSA-N	1	3	330.394	3.795	1	0		EHAFHO
N=C(N)Nc1ccc(-c2ccc(-c3ccc(NC(N)=[NH2+])cc3)cc2)cc1	ZINC000040865863	213395369	/nfs/dbraw/zinc/39/53/69/213395369.db2.gz	GACRELNDQRIYMT-UHFFFAOYSA-N	1	3	344.422	3.631	1	0		EHAFHO
Cc1cc(C)nc(CN(CCCC[NH3+])[C@@H]2CCCc3cccnc32)c1	ZINC000066079682	215007642	/nfs/dbraw/zinc/00/76/42/215007642.db2.gz	YFAGKMFPCCCDTH-HXUWFJFHSA-N	1	3	338.499	3.712	1	0		EHAFHO
CC[NH+](CC)CCCNc1[nH+]cc(C)c2[nH]c3ccc([O-])cc3c21	ZINC000100904690	219110725	/nfs/dbraw/zinc/11/07/25/219110725.db2.gz	NRKVZEHWLUFCAJ-UHFFFAOYSA-N	1	3	326.444	3.826	1	0		EHAFHO
Cc1nc(C)c(CN2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)nc1C	ZINC000011952299	211274555	/nfs/dbraw/zinc/27/45/55/211274555.db2.gz	ZCXRRUWCGVBKCM-FQEVSTJZSA-N	1	3	344.547	3.592	1	0		EHAFHO
CC[NH+](CC)CCCNc1[nH+]cc(C)c2c1c1cc([O-])ccc1n2C	ZINC000005139276	210398365	/nfs/dbraw/zinc/39/83/65/210398365.db2.gz	NFAVXWHNAASLHL-UHFFFAOYSA-N	1	3	340.471	3.884	1	0		EHAFHO
Cc1cnc(CN(CCCC[NH3+])[C@@H]2CCCc3cccnc32)c(C)c1	ZINC000066074550	215006860	/nfs/dbraw/zinc/00/68/60/215006860.db2.gz	RWOKPEBGBZGDQJ-HXUWFJFHSA-N	1	3	338.499	3.712	1	0		EHAFHO
Cc1nc(C)c(CN2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)nc1C	ZINC000011952293	211274158	/nfs/dbraw/zinc/27/41/58/211274158.db2.gz	ZCXRRUWCGVBKCM-HXUWFJFHSA-N	1	3	344.547	3.592	1	0		EHAFHO