smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CC[N@@H+](CCc2ccc(N)cc2)C1	ZINC000087232690	344231274	/nfs/dbraw/zinc/23/12/74/344231274.db2.gz	SSHSECGKQSYKQI-UHFFFAOYSA-N	1	1	218.344	2.543	40	10		BFCBMO
Cc1cccc(C[N@@H+]2CCC[C@H](C)C2)c1O	ZINC000015442138	179078004	/nfs/dbraw/zinc/07/80/04/179078004.db2.gz	LVWSTUDMXQPWFN-NSHDSACASA-N	1	1	219.328	2.933	40	10		BFCBMO
Nc1ccc(/N=N\c2ccccc2)c(N)[nH+]1	ZINC000018847043	342939108	/nfs/dbraw/zinc/93/91/08/342939108.db2.gz	QPFYXYFORQJZEC-NXVVXOECSA-N	1	1	213.244	2.661	40	10	in-vitro	BFCBMO
C[NH+](c1ccc(N)cc1)c1ccc(N)cc1	ZINC000010372748	346793008	/nfs/dbraw/zinc/79/30/08/346793008.db2.gz	LBNFPUAJWZYIOQ-UHFFFAOYSA-N	1	1	213.284	2.619	40	10		BFCBMO
CC(C)(C)c1ccc(O)c(C[NH+]2CCOCC2)c1	ZINC000031924784	359627183	/nfs/dbraw/zinc/62/71/83/359627183.db2.gz	CHHOCJPVKSWIAO-UHFFFAOYSA-N	1	1	249.354	2.522	40	10		BFCBMO
CC[NH+](CC)Cc1ccc2cccnc2c1O	ZINC000001653588	342707262	/nfs/dbraw/zinc/70/72/62/342707262.db2.gz	ZDKKFSNLZTZYRN-UHFFFAOYSA-N	1	1	230.311	2.782	40	10		BFCBMO
COc1cccc(C[N@H+]2CCCC[C@@H]2C)c1O	ZINC000131876039	175257618	/nfs/dbraw/zinc/25/76/18/175257618.db2.gz	OLVIOVDBKAUVJS-NSHDSACASA-N	1	1	235.327	2.775	40	10		BFCBMO
C[NH+]1CCN(/N=N/c2ccccc2Cl)CC1	ZINC000001558231	173065822	/nfs/dbraw/zinc/06/58/22/173065822.db2.gz	NIOGQDDWKDCXFR-BUHFOSPRSA-N	1	1	238.722	2.586	40	10		BFCBMO
COc1cccc(C[N@H+]2CCCC[C@H]2C)c1O	ZINC000131875794	175258319	/nfs/dbraw/zinc/25/83/19/175258319.db2.gz	OLVIOVDBKAUVJS-LLVKDONJSA-N	1	1	235.327	2.775	40	10		BFCBMO
Cc1cccc(C[N@@H+]2CCC[C@@H](C)C2)c1O	ZINC000015442136	179072925	/nfs/dbraw/zinc/07/29/25/179072925.db2.gz	LVWSTUDMXQPWFN-LLVKDONJSA-N	1	1	219.328	2.933	40	10		BFCBMO
COc1ccc(/N=N/c2ccc(N)[nH+]c2N)cc1	ZINC000015990220	175049438	/nfs/dbraw/zinc/04/94/38/175049438.db2.gz	ZYFQLPWMMMZNRY-WUKNDPDISA-N	1	1	243.270	2.670	40	10		BFCBMO
COc1ccc(/N=N\c2ccc(N)[nH+]c2N)cc1	ZINC000100366151	175050441	/nfs/dbraw/zinc/05/04/41/175050441.db2.gz	ZYFQLPWMMMZNRY-MSUUIHNZSA-N	1	1	243.270	2.670	40	10		BFCBMO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N)cc2)C1	ZINC000022163930	177314706	/nfs/dbraw/zinc/31/47/06/177314706.db2.gz	MDOWXVRXHYVFNN-TXEJJXNPSA-N	1	1	218.344	2.747	40	10		BFCBMO
C[N@@H+]1[C@@H]2CCC[C@H]1CN(/N=N/c1ccccc1)C2	ZINC000016890087	173204730	/nfs/dbraw/zinc/20/47/30/173204730.db2.gz	HSCMOVCUZWPGDL-OEYYDGDVSA-N	1	1	244.342	2.854	40	10		BFCBMO
C[N@@H+]1[C@@H]2CCC[C@H]1CN(/N=N\c1ccccc1)C2	ZINC000008614660	173204872	/nfs/dbraw/zinc/20/48/72/173204872.db2.gz	HSCMOVCUZWPGDL-XQEWKFHHSA-N	1	1	244.342	2.854	40	10		BFCBMO