smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN=C(Nc1cccc(C2=[NH+]CCN2)c1)c1ccc(C(Nc2cccc(C3=[NH+]CCN3)c2)=[NH+]CC)cc1	ZINC000001698807	551689546	/nfs/dbraw/zinc/68/95/46/551689546.db2.gz	LDFOJJDZWXCNPC-UHFFFAOYSA-N	3	1	506.658	3.953	40	30		KHEBMP
CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@@]34CC[N@H+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@]34CC[NH+]1[C@H]42	ZINC000169737646	571559927	/nfs/dbraw/zinc/55/99/27/571559927.db2.gz	QZRIMAMDGWAHPQ-WGOGSPBCSA-N	2	1	794.902	3.997	40	30		KHEBMP
CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@@]34CC[NH+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@]34CC[N@H+]1[C@H]42	ZINC000169737646	571559926	/nfs/dbraw/zinc/55/99/26/571559926.db2.gz	QZRIMAMDGWAHPQ-WGOGSPBCSA-N	2	1	794.902	3.997	40	30		KHEBMP
Oc1ccc2c3c1O[C@@H]1C(=NN=C4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[N@H+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314	ZINC000254143300	572302165	/nfs/dbraw/zinc/30/21/65/572302165.db2.gz	GSYDZKZBXPTRGD-HYLVSFDOSA-N	2	1	678.830	3.723	40	30		KHEBMP
Oc1ccc2c3c1O[C@@H]1C(=NN=C4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[N@@H+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314	ZINC000254143300	572302163	/nfs/dbraw/zinc/30/21/63/572302163.db2.gz	GSYDZKZBXPTRGD-HYLVSFDOSA-N	2	1	678.830	3.723	40	30		KHEBMP
Oc1ccc2c3c1O[C@@H]1C(=NN=C4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[NH+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314	ZINC000254143300	572302161	/nfs/dbraw/zinc/30/21/61/572302161.db2.gz	GSYDZKZBXPTRGD-HYLVSFDOSA-N	2	1	678.830	3.723	40	30		KHEBMP
Oc1ccc2c3c1O[C@H]1C(=NN=C4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[N@H+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314	ZINC000254143303	572302123	/nfs/dbraw/zinc/30/21/23/572302123.db2.gz	GSYDZKZBXPTRGD-JYSBDRJRSA-N	2	1	678.830	3.723	40	30		KHEBMP
Oc1ccc2c3c1O[C@H]1C(=NN=C4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[N@@H+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314	ZINC000254143303	572302121	/nfs/dbraw/zinc/30/21/21/572302121.db2.gz	GSYDZKZBXPTRGD-JYSBDRJRSA-N	2	1	678.830	3.723	40	30		KHEBMP
Oc1ccc2c3c1O[C@H]1C(=NN=C4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[NH+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314	ZINC000254143303	572302119	/nfs/dbraw/zinc/30/21/19/572302119.db2.gz	GSYDZKZBXPTRGD-JYSBDRJRSA-N	2	1	678.830	3.723	40	30		KHEBMP
Oc1ccc2c3c1O[C@@H]1C(=NN=C4CC[C@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[N@@H+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314	ZINC000254143305	572302181	/nfs/dbraw/zinc/30/21/81/572302181.db2.gz	GSYDZKZBXPTRGD-SZJLIUDRSA-N	2	1	678.830	3.723	40	30		KHEBMP
Oc1ccc2c3c1O[C@H]1C(=NN=C4CC[C@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[N@H+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314	ZINC000254143307	572302205	/nfs/dbraw/zinc/30/22/05/572302205.db2.gz	GSYDZKZBXPTRGD-XVFJDZLJSA-N	2	1	678.830	3.723	40	30		KHEBMP
Oc1ccc2c3c1O[C@H]1C(=NN=C4CC[C@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[N@@H+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314	ZINC000254143307	572302203	/nfs/dbraw/zinc/30/22/03/572302203.db2.gz	GSYDZKZBXPTRGD-XVFJDZLJSA-N	2	1	678.830	3.723	40	30		KHEBMP
Oc1ccc2c3c1O[C@H]1C(=NN=C4CC[C@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[NH+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314	ZINC000254143307	572302202	/nfs/dbraw/zinc/30/22/02/572302202.db2.gz	GSYDZKZBXPTRGD-XVFJDZLJSA-N	2	1	678.830	3.723	40	30		KHEBMP