smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(=NCC[NH+]1CCOCC1)=NC1CCCCC1	ZINC000008034767	560206693	/nfs/dbraw/zinc/20/66/93/560206693.db2.gz	XNPOFXIBHOVFFH-UHFFFAOYSA-N	1	2	237.347	1.825	40	70	in-vitro	BDIBLO
O[C@]12C[C@H]3C[C@H](C[C@@H](C1)C31[NH2+]CCS1)C2	ZINC000217481264	183218445	/nfs/dbraw/zinc/21/84/45/183218445.db2.gz	CVRGPYJEPQFMMH-ZZIJQQEUSA-N	1	2	225.357	1.590	40	70		BDIBLO
c1ccc(C[N@@H+]2CCO[C@@H]3COC[C@H]32)cc1	ZINC000218036354	388385344	/nfs/dbraw/zinc/38/53/44/388385344.db2.gz	TWKCBRNWMOQQNX-CHWSQXEVSA-N	1	2	219.284	1.286	40	70		BDIBLO
c1ccc(C[N@H+]2CCO[C@@H]3COC[C@H]32)cc1	ZINC000218036354	388385348	/nfs/dbraw/zinc/38/53/48/388385348.db2.gz	TWKCBRNWMOQQNX-CHWSQXEVSA-N	1	2	219.284	1.286	40	70		BDIBLO
CNC(=O)c1cc(N)ccc1[NH+]1CCCC1	ZINC000217678798	173309671	/nfs/dbraw/zinc/30/96/71/173309671.db2.gz	PHRORYKKWFICQV-UHFFFAOYSA-N	1	2	219.288	1.229	40	70		BDIBLO
c1ccc(C[N@@H+]2CCO[C@H]3COC[C@H]32)cc1	ZINC000218700718	388390955	/nfs/dbraw/zinc/39/09/55/388390955.db2.gz	TWKCBRNWMOQQNX-OLZOCXBDSA-N	1	2	219.284	1.286	40	70		BDIBLO
c1ccc(C[N@H+]2CCO[C@H]3COC[C@H]32)cc1	ZINC000218700718	388390957	/nfs/dbraw/zinc/39/09/57/388390957.db2.gz	TWKCBRNWMOQQNX-OLZOCXBDSA-N	1	2	219.284	1.286	40	70		BDIBLO
c1[nH]cc(-c2cccc3c2OCCO3)[nH+]1	ZINC000217570437	183364811	/nfs/dbraw/zinc/36/48/11/183364811.db2.gz	YDOYJUKJQTYETO-UHFFFAOYSA-N	1	2	202.213	1.848	40	70		BDIBLO