smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCCN2CCN(CC2)CCCN(CCC#N)CC1	ZINC000068604838	388948156	/nfs/dbraw/zinc/94/81/56/388948156.db2.gz	JSTMZHGJQRFTHX-UHFFFAOYSA-N	1	3	293.459	0.545	40	30		CCEBHO
C[N@H+]1CCCN2CCN(CC2)CCCN(CCC#N)CC1	ZINC000068604838	388948159	/nfs/dbraw/zinc/94/81/59/388948159.db2.gz	JSTMZHGJQRFTHX-UHFFFAOYSA-N	1	3	293.459	0.545	40	30		CCEBHO
CCCCCC(=NNC(N)=[NH2+])C(C)N=NC(=N)N	ZINC000008622384	170343306	/nfs/dbraw/zinc/34/33/06/170343306.db2.gz	HFCMDQGDFLYARR-BSHIDLADSA-N	1	3	254.342	0.265	40	30		CCEBHO
CCCCCCC(=CN=NC(N)N)N=NC(N)=[NH2+]	ZINC000104392248	349716346	/nfs/dbraw/zinc/71/63/46/349716346.db2.gz	DTSXGRIRFLYRBH-DUGOVBPYSA-N	1	3	254.342	0.265	40	30		CCEBHO
C=CCN(CC=C)C[C@H](O)CN1CCC[NH2+]CC1	ZINC000064875835	348705149	/nfs/dbraw/zinc/70/51/49/348705149.db2.gz	WMYMNWXKGRDFEU-AWEZNQCLSA-N	1	3	253.390	0.317	40	30		CCEBHO
C=CCN(CC=C)C[C@@H](O)CN1CCC[NH2+]CC1	ZINC000064875837	348705400	/nfs/dbraw/zinc/70/54/00/348705400.db2.gz	WMYMNWXKGRDFEU-CQSZACIVSA-N	1	3	253.390	0.317	40	30		CCEBHO
Cn1c(C=NNC(=N)N2CCCC2)c[n+]2ccccc12	ZINC000253387979	280180882	/nfs/dbraw/zinc/18/08/82/280180882.db2.gz	SZZCMDXAXOQXTN-MHWRWJLKSA-N	1	3	271.348	0.718	40	30		CCEBHO
CC(C)CCC[NH2+]CCC[NH2+]CCCNC(=O)/C=N/[O-]	ZINC000095115850	349591162	/nfs/dbraw/zinc/59/11/62/349591162.db2.gz	XJXASLVHENKZKX-LDADJPATSA-N	1	3	286.420	0.958	40	30		CCEBHO
CCCCCCC(=CN=NC(N)N)N=NC(N)=[NH2+]	ZINC000008622574	170343284	/nfs/dbraw/zinc/34/32/84/170343284.db2.gz	DTSXGRIRFLYRBH-BSHIDLADSA-N	1	3	254.342	0.265	40	30		CCEBHO
N=C(N)NN=C(C[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000017285094	348053359	/nfs/dbraw/zinc/05/33/59/348053359.db2.gz	LYIQDPDGSMFRRQ-GHRIWEEISA-N	1	3	299.314	0.560	40	30		CCEBHO
N=C(N)NN=C(C[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000006567673	170214240	/nfs/dbraw/zinc/21/42/40/170214240.db2.gz	LYIQDPDGSMFRRQ-LGMDPLHJSA-N	1	3	299.314	0.560	40	30		CCEBHO
CCCCCC(=NNC(N)=[NH2+])C(C)N=NC(=N)N	ZINC000104390673	349716275	/nfs/dbraw/zinc/71/62/75/349716275.db2.gz	HFCMDQGDFLYARR-DUGOVBPYSA-N	1	3	254.342	0.265	40	30		CCEBHO
Nc1c(-c2nc3ccccc3[nH]2)c(O)cn1CC[NH3+]	ZINC000016757444	348050878	/nfs/dbraw/zinc/05/08/78/348050878.db2.gz	HXNPWDPLFAVGHK-UHFFFAOYSA-N	1	3	257.297	0.034	40	30		CCEBHO