smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[N@H+](Cc2cccc(C)n2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1	ZINC000019236103	211210541	/nfs/dbraw/zinc/21/05/41/211210541.db2.gz	UEIWIPPJXJBBFJ-UHFFFAOYSA-N	2	2	355.526	4.603	10	0		FJAELP
Cc1ccc(C[N@@H+](Cc2cccc(C)n2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1	ZINC000019236103	211210546	/nfs/dbraw/zinc/21/05/46/211210546.db2.gz	UEIWIPPJXJBBFJ-UHFFFAOYSA-N	2	2	355.526	4.603	10	0		FJAELP
C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(Br)s1	ZINC000038001706	211340545	/nfs/dbraw/zinc/34/05/45/211340545.db2.gz	MHWGZTAOOKPNGD-CQSZACIVSA-N	2	2	367.356	4.683	10	0		FJAELP
C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(Br)s1	ZINC000038001706	211340549	/nfs/dbraw/zinc/34/05/49/211340549.db2.gz	MHWGZTAOOKPNGD-CQSZACIVSA-N	2	2	367.356	4.683	10	0		FJAELP
[NH3+][C@H]1CCCC[C@@H]1Nc1[nH+]c2ccccc2n1Cc1c(F)cccc1Cl	ZINC000095077361	221844836	/nfs/dbraw/zinc/84/48/36/221844836.db2.gz	GKRZWASALBCLSY-IRXDYDNUSA-N	2	2	372.875	4.559	10	0		FJAELP
COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](C)C)C=C3C)[nH+]c2c1	ZINC000096296139	222112535	/nfs/dbraw/zinc/11/25/35/222112535.db2.gz	JVRLOPHAAJEPIB-LNLFQRSKSA-N	2	2	355.526	4.530	10	0		FJAELP
[NH3+][C@H]1CC[C@H](Nc2[nH+]c3ccccc3n2Cc2c(F)cccc2Cl)CC1	ZINC000100278602	222240234	/nfs/dbraw/zinc/24/02/34/222240234.db2.gz	ZZNWYNQAKJCHDF-OKILXGFUSA-N	2	2	372.875	4.559	10	0		FJAELP
Cc1[nH+]ccc(NC(=O)c2cccc(C[N@@H+](C)[C@@H](C)c3cccnc3)c2)c1C	ZINC000067894445	571151569	/nfs/dbraw/zinc/15/15/69/571151569.db2.gz	HOLXDLYQRPXNEL-SFHVURJKSA-N	2	2	374.488	4.539	10	0		FJAELP
Cc1[nH+]ccc(NC(=O)c2cccc(C[N@H+](C)[C@@H](C)c3cccnc3)c2)c1C	ZINC000067894445	571151571	/nfs/dbraw/zinc/15/15/71/571151571.db2.gz	HOLXDLYQRPXNEL-SFHVURJKSA-N	2	2	374.488	4.539	10	0		FJAELP
CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1	ZINC000013734311	211055560	/nfs/dbraw/zinc/05/55/60/211055560.db2.gz	WBNJOZUMWBFGFR-UHFFFAOYSA-N	2	2	360.929	4.741	10	0		FJAELP
c1csc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCCCC2)c1	ZINC000005387748	207098722	/nfs/dbraw/zinc/09/87/22/207098722.db2.gz	MKYNQLZUHZKKRF-UHFFFAOYSA-N	2	2	350.491	4.503	10	0		FJAELP
Cc1ccc2c(c1)C[N@H+](C1CC[NH+](C(C)C)CC1)C[C@@H](c1ccsc1)O2	ZINC000020323565	220322085	/nfs/dbraw/zinc/32/20/85/220322085.db2.gz	VALKDEYLRRFRMW-QFIPXVFZSA-N	2	2	370.562	4.865	10	0		FJAELP
Cc1ccc2c(c1)C[N@@H+](C1CC[NH+](C(C)C)CC1)C[C@@H](c1ccsc1)O2	ZINC000020323565	220322089	/nfs/dbraw/zinc/32/20/89/220322089.db2.gz	VALKDEYLRRFRMW-QFIPXVFZSA-N	2	2	370.562	4.865	10	0		FJAELP
[NH3+][C@@H]1CCCC[C@@H]1Nc1[nH+]c2ccccc2n1Cc1c(F)cccc1Cl	ZINC000095077363	221844586	/nfs/dbraw/zinc/84/45/86/221844586.db2.gz	GKRZWASALBCLSY-SJORKVTESA-N	2	2	372.875	4.559	10	0		FJAELP
CC[NH+](CC)CCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1	ZINC000013734100	220090461	/nfs/dbraw/zinc/09/04/61/220090461.db2.gz	LWRQOVYVLWMPCD-UHFFFAOYSA-N	2	2	360.929	4.741	10	0		FJAELP
[NH3+][C@H]1CCCC[C@H]1Nc1[nH+]c2ccccc2n1Cc1c(F)cccc1Cl	ZINC000095077360	209018651	/nfs/dbraw/zinc/01/86/51/209018651.db2.gz	GKRZWASALBCLSY-DLBZAZTESA-N	2	2	372.875	4.559	10	0		FJAELP
Cc1[nH+]ccc(NC(=O)c2cccc(C[N@@H+](C)[C@H](C)c3cccnc3)c2)c1C	ZINC000067894447	221300802	/nfs/dbraw/zinc/30/08/02/221300802.db2.gz	HOLXDLYQRPXNEL-GOSISDBHSA-N	2	2	374.488	4.539	10	0		FJAELP
Cc1[nH+]ccc(NC(=O)c2cccc(C[N@H+](C)[C@H](C)c3cccnc3)c2)c1C	ZINC000067894447	221300804	/nfs/dbraw/zinc/30/08/04/221300804.db2.gz	HOLXDLYQRPXNEL-GOSISDBHSA-N	2	2	374.488	4.539	10	0		FJAELP
Cc1ccc2c(c1)C[N@H+](C1CC[NH+](C(C)C)CC1)C[C@H](c1ccsc1)O2	ZINC000020323571	571328744	/nfs/dbraw/zinc/32/87/44/571328744.db2.gz	VALKDEYLRRFRMW-JOCHJYFZSA-N	2	2	370.562	4.865	10	0		FJAELP
Cc1ccc2c(c1)C[N@@H+](C1CC[NH+](C(C)C)CC1)C[C@H](c1ccsc1)O2	ZINC000020323571	571328745	/nfs/dbraw/zinc/32/87/45/571328745.db2.gz	VALKDEYLRRFRMW-JOCHJYFZSA-N	2	2	370.562	4.865	10	0		FJAELP