smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCNCCC[NH2+]CC1CCCCCCCCCCCCCC1	ZINC000169330870	206251827	/nfs/dbraw/zinc/25/18/27/206251827.db2.gz	IWMBYYQYKQRBAA-UHFFFAOYSA-N	2	0	353.639	4.996	1	0		FJAFRP
[NH3+][C@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000058556891	205277841	/nfs/dbraw/zinc/27/78/41/205277841.db2.gz	RYSREWLCUBCLSN-LQKMEQQXSA-N	2	0	360.545	4.920	1	0		FJAFRP
CC(C)(C)c1cc[n+](Cc2ccccc2C[n+]2ccc(C(C)(C)C)cc2)cc1	ZINC000066111852	221241773	/nfs/dbraw/zinc/24/17/73/221241773.db2.gz	GTRJMKIJDDDXQG-UHFFFAOYSA-N	2	0	374.572	4.953	1	0		FJAFRP
c1ccc2c[n+](Cc3cccc(C[n+]4ccc5ccccc5c4)c3)ccc2c1	ZINC000066075282	205363230	/nfs/dbraw/zinc/36/32/30/205363230.db2.gz	SREHLCDERLVEFU-UHFFFAOYSA-N	2	0	362.476	4.665	1	0		FJAFRP
C[NH2+][C@@H]1CCC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)C1	ZINC000195522243	206332801	/nfs/dbraw/zinc/33/28/01/206332801.db2.gz	FMQPLHSUIOCWGC-ZIAGYGMSSA-N	2	0	352.507	4.912	1	0		FJAFRP
[NH3+][C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040874886	205084403	/nfs/dbraw/zinc/08/44/03/205084403.db2.gz	RYSREWLCUBCLSN-HTOMHKFXSA-N	2	0	360.545	4.920	1	0		FJAFRP
C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@@H]2C[N@H+](C3CCCC3)C[C@@H]2C1	ZINC000029127710	211506735	/nfs/dbraw/zinc/50/67/35/211506735.db2.gz	MJQVOFAVZVQEPV-XUZZJYLKSA-N	2	0	350.550	4.603	1	0		FJAFRP
CCc1c(C)[nH+]c2ccccc2c1Nc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000053228274	536071499	/nfs/dbraw/zinc/07/14/99/536071499.db2.gz	YEGLCEJPSSYEQE-UHFFFAOYSA-N	2	0	360.505	4.601	1	0		FJAFRP
c1ccc([C@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[NH2+]CC3)cc1	ZINC000040791332	205082000	/nfs/dbraw/zinc/08/20/00/205082000.db2.gz	YXXLFRSJUIWSJG-KFULVZMISA-N	2	0	360.545	4.934	1	0		FJAFRP
c1ccc2c(c1)ccc[n+]2Cc1ccc(C[n+]2cccc3ccccc32)cc1	ZINC000071281178	203906098	/nfs/dbraw/zinc/90/60/98/203906098.db2.gz	TVRYEHWIXBFQBB-UHFFFAOYSA-N	2	0	362.476	4.665	1	0		FJAFRP
[NH3+][C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040874888	205084322	/nfs/dbraw/zinc/08/43/22/205084322.db2.gz	RYSREWLCUBCLSN-JOACEPGESA-N	2	0	360.545	4.920	1	0		FJAFRP
Cc1c(C)c(-c2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)c[nH+]c1N	ZINC000045201472	205117948	/nfs/dbraw/zinc/11/79/48/205117948.db2.gz	DBVCIUPADFOWKM-UHFFFAOYSA-N	2	0	365.908	4.933	1	0		FJAFRP
C[NH+](C)CCC[N@H+](C)CCCN1c2ccccc2Sc2ccccc21	ZINC000040848721	136120465	/nfs/dbraw/zinc/12/04/65/136120465.db2.gz	MTWWMWJVGRPNPU-UHFFFAOYSA-N	2	0	355.551	4.563	1	0		FJAFRP
[NH2+]=C1Nc2cc(CC[NH2+]Cc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12	ZINC000003974163	204116550	/nfs/dbraw/zinc/11/65/50/204116550.db2.gz	XIFIFNLFBBRXNL-IEBWSBKVSA-N	2	0	353.897	4.558	1	0		FJAFRP
Cc1sc2ccccc2[n+]1CCCC[n+]1c(C)sc2ccccc21	ZINC000036381219	205013967	/nfs/dbraw/zinc/01/39/67/205013967.db2.gz	DJCPOSPTWCHYDO-UHFFFAOYSA-N	2	0	354.544	4.788	1	0		FJAFRP
Fc1ccc(C[NH2+]C[C@H]2CCC[C@H](C[NH2+]Cc3ccc(F)cc3)C2)cc1	ZINC000045357516	211815203	/nfs/dbraw/zinc/81/52/03/211815203.db2.gz	NZVBGJYITVMAHM-PMACEKPBSA-N	2	0	358.476	4.651	1	0		FJAFRP
Cc1c(/C=C/c2oc3ccc(C(N)=[NH2+])cc3c2C)oc2cc(C(N)=[NH2+])ccc12	ZINC000066122751	205363511	/nfs/dbraw/zinc/36/35/11/205363511.db2.gz	FGBSHPRTGPSOHI-BQYQJAHWSA-N	2	0	372.428	4.534	1	0		FJAFRP
c1ccc2c(c1)ccc[n+]2Cc1ccccc1C[n+]1cccc2ccccc21	ZINC000071294222	221340352	/nfs/dbraw/zinc/34/03/52/221340352.db2.gz	OYELVZBEBIBDNI-UHFFFAOYSA-N	2	0	362.476	4.665	1	0		FJAFRP
CC[NH+](CC)CCCCNc1[nH+]cc(C)c2c1c1cc(OC)ccc1n2C	ZINC000005139266	207083963	/nfs/dbraw/zinc/08/39/63/207083963.db2.gz	SZNLAGFMXLMHQZ-UHFFFAOYSA-N	2	0	368.525	4.577	1	0		FJAFRP
C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000029128051	207983081	/nfs/dbraw/zinc/98/30/81/207983081.db2.gz	JLDPRWUTMGAVLL-AHWVRZQESA-N	2	0	372.556	4.860	1	0		FJAFRP
c1ccc2c[n+](Cc3ccc(C[n+]4ccc5ccccc5c4)cc3)ccc2c1	ZINC000066075283	221239549	/nfs/dbraw/zinc/23/95/49/221239549.db2.gz	QSQXPXMHGYXQAJ-UHFFFAOYSA-N	2	0	362.476	4.665	1	0		FJAFRP
[NH3+]Cc1ccc2cc(-c3ccc(-c4cc5ccc(C[NH3+])cc5[nH]4)cc3)[nH]c2c1	ZINC000103251458	209251091	/nfs/dbraw/zinc/25/10/91/209251091.db2.gz	XQJFDAMRKWVELS-UHFFFAOYSA-N	2	0	366.468	4.901	1	0		FJAFRP
C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@@H]2C[N@H+](C3CCCC3)C[C@H]2C1	ZINC000029127840	207982908	/nfs/dbraw/zinc/98/29/08/207982908.db2.gz	MJQVOFAVZVQEPV-ZJSXRUAMSA-N	2	0	350.550	4.603	1	0		FJAFRP
C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@H]2C[N@H+](C3CCCC3)C[C@@H]2C1	ZINC000036289107	208152279	/nfs/dbraw/zinc/15/22/79/208152279.db2.gz	MJQVOFAVZVQEPV-URXFXBBRSA-N	2	0	350.550	4.603	1	0		FJAFRP
CCOc1ccccc1CC[NH2+]CC1CC[NH+](CC2CCCCC2)CC1	ZINC000045190408	220968046	/nfs/dbraw/zinc/96/80/46/220968046.db2.gz	PBHOUIGWFYYEIL-UHFFFAOYSA-N	2	0	358.570	4.510	1	0		FJAFRP
c1ccc2c[n+](Cc3ccccc3C[n+]3ccc4ccccc4c3)ccc2c1	ZINC000066075281	221239688	/nfs/dbraw/zinc/23/96/88/221239688.db2.gz	NBZDXRSHGICKOP-UHFFFAOYSA-N	2	0	362.476	4.665	1	0		FJAFRP
CC(C)(C)c1cc[n+](Cc2ccc(C[n+]3ccc(C(C)(C)C)cc3)cc2)cc1	ZINC000066156561	221243102	/nfs/dbraw/zinc/24/31/02/221243102.db2.gz	FKXZCXLZQSOPPI-UHFFFAOYSA-N	2	0	374.572	4.953	1	0		FJAFRP