smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1C[C@H](C)/C(=[NH+]/c2ccccc2)N(C)c2ccccc21	ZINC000005551579	170112250	/nfs/dbraw/zinc/11/22/50/170112250.db2.gz	BTJGSULXBGFQCA-QSGFHZNJSA-N	1	0	278.399	4.996	1	30		CJEFRO
CCCCCCCCCCCC[N+](CC)(CC)CCO	ZINC000014096296	717110206	/nfs/dbraw/zinc/11/02/06/717110206.db2.gz	WLPWMVZZHMJEMQ-UHFFFAOYSA-N	1	0	286.524	4.756	1	30		CJEFRO
C[N@H+](CCC#CC(C)(C)C)CCc1cccc2ccccc21	ZINC000027704788	171529379	/nfs/dbraw/zinc/52/93/79/171529379.db2.gz	NEVOQWRQDBWGMK-UHFFFAOYSA-N	1	0	293.454	4.754	1	30		CJEFRO
C[C@@H](C/C=C/C#CC(C)(C)[NH3+])Cc1cccc2ccccc21	ZINC000029484866	171600948	/nfs/dbraw/zinc/60/09/48/171600948.db2.gz	KOSBWBBOVPBLGG-BDUNBXCCSA-N	1	0	291.438	4.705	1	30		CJEFRO
C#CC[N+](C)(CC#C)CCCCCCCCCCCC	ZINC000038158024	174135111	/nfs/dbraw/zinc/13/51/11/174135111.db2.gz	AXLOFHRMADPAFF-UHFFFAOYSA-N	1	0	276.488	4.620	1	30		CJEFRO
CCCCCCCC[NH2+][C@@H]1CCc2cc(OC)ccc2C1	ZINC000042923505	174917301	/nfs/dbraw/zinc/91/73/01/174917301.db2.gz	BDXRDAHPZBYWEZ-GOSISDBHSA-N	1	0	289.463	4.503	1	30		CJEFRO
CCCCCCCCC12C[C@H]3CC(C[C@H](C3)C1)[C@@H]2[NH3+]	ZINC000043620397	175080250	/nfs/dbraw/zinc/08/02/50/175080250.db2.gz	IHTCXHKKPBPLRS-MTCSXPRVSA-N	1	0	263.469	4.891	1	30		CJEFRO
CCCCCCCCCCCCCCOC(=O)CCC[NH3+]	ZINC000049784527	520004947	/nfs/dbraw/zinc/00/49/47/520004947.db2.gz	WDQXYHGGRUHBRM-UHFFFAOYSA-N	1	0	299.499	4.970	1	30		CJEFRO
CCCCCCCCCCCCCCOCC[NH3+]	ZINC000060007684	520005078	/nfs/dbraw/zinc/00/50/78/520005078.db2.gz	VDKIKEMSODDARD-UHFFFAOYSA-N	1	0	257.462	4.663	1	30		CJEFRO
CCCCCCC[N@@H+]1CCc2c(c3cc(C)ccc3n2C)C1	ZINC000071340742	176130330	/nfs/dbraw/zinc/13/03/30/176130330.db2.gz	WOTHORAHOVRLDP-UHFFFAOYSA-N	1	0	298.474	4.815	1	30		CJEFRO
CCCCCCCCn1c(N)[nH+]cc1CCCCCC	ZINC000072122022	176320238	/nfs/dbraw/zinc/32/02/38/176320238.db2.gz	OPHQJJHLEWOTQO-UHFFFAOYSA-N	1	0	279.472	4.949	1	30		CJEFRO
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2(C[NH3+])C1CCCCC1	ZINC000085545034	560070812	/nfs/dbraw/zinc/07/08/12/560070812.db2.gz	QGCSNCLIVKJFPL-QNYNDTLLSA-N	1	0	287.491	4.770	1	30	biogenic,in-vitro	CJEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC(C[NH2+]CC)=CC(C)=C2C1	ZINC000085550198	290877397	/nfs/dbraw/zinc/87/73/97/290877397.db2.gz	GPXMVBDSBWNOCF-AEFFLSMTSA-N	1	0	259.437	4.625	1	30	biogenic,in-vitro	CJEFRO
CCCCCCCC[n+]1c(C)sc2ccccc21	ZINC000096928481	185132503	/nfs/dbraw/zinc/13/25/03/185132503.db2.gz	UVNVQVBRMHPAQN-UHFFFAOYSA-N	1	0	262.442	4.858	1	30		CJEFRO
CCCC[NH2+][C@@H]1CC/C(C)=C/CC(C)(C)/C=C/C(=O)[C@@H]1C	ZINC000101650715	185752282	/nfs/dbraw/zinc/75/22/82/185752282.db2.gz	ZHFMEJHXJUGNMP-IHUMOJNTSA-N	1	0	291.479	4.663	1	30		CJEFRO
CCCCCCCCCCCC[N+](C)(C)CCN(C)C	ZINC000103233696	717146228	/nfs/dbraw/zinc/14/62/28/717146228.db2.gz	ZPTJJLFRTGELNG-UHFFFAOYSA-N	1	0	285.540	4.545	1	30		CJEFRO
c1csc([C@@H](NC2=[NH+]CCCCCC2)c2ccccc2)c1	ZINC000169328164	188658971	/nfs/dbraw/zinc/65/89/71/188658971.db2.gz	HIWRQUNRPVGKHD-SFHVURJKSA-N	1	0	298.455	4.790	1	30		CJEFRO
CCCCCCCC[N+](C)(C)Cc1ccc([N+](=O)[O-])cc1	ZINC000169337865	717155948	/nfs/dbraw/zinc/15/59/48/717155948.db2.gz	WPCBCXQGKSZQHW-UHFFFAOYSA-N	1	0	293.431	4.532	1	30		CJEFRO