smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSC(=[NH2+])NC(N)=[NH2+]	78710885	168296722	/nfs/dbraw/zinc/29/67/22/168296722.db2.gz	LVMZCNBYTSGGIQ-UHFFFAOYSA-N	2	0	132.192	-0.442	50	30	in-vitro	ABEARP
N#CC[N+]12CC[N+](CC#N)(CC1)CC2	104170297	169102514	/nfs/dbraw/zinc/10/25/14/169102514.db2.gz	AJQLYFPQIRYJIA-UHFFFAOYSA-N	2	0	192.266	-0.306	50	30		ABEARP
[NH2+]=C(Cc1nnc[nH]1)N[C@H]1CC[NH2+]C1	170619035	169132145	/nfs/dbraw/zinc/13/21/45/169132145.db2.gz	MDQHNLLSUYCCDD-LURJTMIESA-N	2	0	194.242	-0.934	50	30		ABEARP
[NH2+]=C(Cc1nnc[nH]1)N[C@@H]1CC[NH2+]C1	170619034	169132440	/nfs/dbraw/zinc/13/24/40/169132440.db2.gz	MDQHNLLSUYCCDD-ZCFIWIBFSA-N	2	0	194.242	-0.934	50	30		ABEARP
NC(=[NH2+])NC(=[NH2+])NC1CCCC1	2023749	169137721	/nfs/dbraw/zinc/13/77/21/169137721.db2.gz	MBRPFLDAQGDPAV-UHFFFAOYSA-N	2	0	169.232	-0.273	50	30		ABEARP
NC(=[NH2+])NC(=[NH2+])NCc1ccncc1	5902992	169138327	/nfs/dbraw/zinc/13/83/27/169138327.db2.gz	SEYVBHOJXCWRHO-UHFFFAOYSA-N	2	0	192.226	-0.621	50	30		ABEARP
[NH3+]CCC[NH2+]CCS	4097420	169183101	/nfs/dbraw/zinc/18/31/01/169183101.db2.gz	YHPLKWQJMAYFCN-UHFFFAOYSA-N	2	0	134.248	-0.145	50	30	in-vitro	ABEARP
CN(C)C(=[NH2+])NC(=[NH2+])N(C)C	6378839	171019647	/nfs/dbraw/zinc/01/96/47/171019647.db2.gz	BJPJCOUGXXPPSB-UHFFFAOYSA-N	2	0	157.221	-0.641	50	30		ABEARP
C[N+]1(CC#N)CC[N+](C)(CC#N)CC1	104170289	190612800	/nfs/dbraw/zinc/61/28/00/190612800.db2.gz	RLEDPMCWXCHFQA-UHFFFAOYSA-N	2	0	194.282	-0.060	50	30		ABEARP
CCCCCNC(=[NH2+])NC(N)=[NH2+]	2037608	342968306	/nfs/dbraw/zinc/96/83/06/342968306.db2.gz	ISBMMSTZNSUXJZ-UHFFFAOYSA-N	2	0	171.248	-0.026	50	30		ABEARP
CN(C)C=[NH+]C(=CN(C)C)C=[N+](C)C	95730945	343686598	/nfs/dbraw/zinc/68/65/98/343686598.db2.gz	DCNQDOWDZCAVDS-UHFFFAOYSA-N	2	0	197.306	-0.206	50	30		ABEARP
CC(C)NC(=[NH2+])NC(N)=[NH2+]	1586440	351289337	/nfs/dbraw/zinc/28/93/37/351289337.db2.gz	UBBHRFLEDZWRNR-UHFFFAOYSA-N	2	0	143.194	-0.807	50	30		ABEARP
C=C(C[NH3+])C[NH3+]	104558157	351713961	/nfs/dbraw/zinc/71/39/61/351713961.db2.gz	PRCGMIFKQRXNBS-UHFFFAOYSA-N	2	0	86.138	-0.540	50	30		ABEARP