smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCCNc1c2cc(Cl)ccc2nc2c1CCCC2	ZINC000001677542	563290606	/nfs/dbraw/zinc/29/06/06/563290606.db2.gz	SGFKZQRIWFBYKO-UHFFFAOYSA-N	1	3	317.864	4.131	40	0	in-vitro	DIABHO
CC[NH+](CC)CCC[C@H](C)Nc1ccnc2ccc(OC)cc21	ZINC000003148964	563942463	/nfs/dbraw/zinc/94/24/63/563942463.db2.gz	FUPRESGGKITVQE-HNNXBMFYSA-N	1	3	315.461	4.166	40	0		DIABHO
CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2ccc(OC)cc21	ZINC000003148963	563942396	/nfs/dbraw/zinc/94/23/96/563942396.db2.gz	FUPRESGGKITVQE-OAHLLOKOSA-N	1	3	315.461	4.166	40	0		DIABHO
Cc1cc(NCCC[NH3+])c2cc(Oc3ccccc3)ccc2n1	ZINC000222690898	563727186	/nfs/dbraw/zinc/72/71/86/563727186.db2.gz	SZOXTVAKXNUUCT-UHFFFAOYSA-N	1	3	307.397	4.096	40	0		DIABHO
CC(C)[NH+]1CCC(N(C)CC2(c3ccc(Cl)cc3)CC2)CC1	ZINC000019447834	182123698	/nfs/dbraw/zinc/12/36/98/182123698.db2.gz	CKHLHPSSUJZHOW-UHFFFAOYSA-N	1	3	320.908	4.176	40	0		DIABHO
CC[NH+](CC)CCCNc1c2ccccc2nc2c1CCCC2	ZINC000001689837	563291166	/nfs/dbraw/zinc/29/11/66/563291166.db2.gz	YJYRZBZPJOXSJG-UHFFFAOYSA-N	1	3	311.473	4.257	40	0		DIABHO
CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(OC)ccc21	ZINC000002044530	563924846	/nfs/dbraw/zinc/92/48/46/563924846.db2.gz	UPZNYIXLPMJBBS-OAHLLOKOSA-N	1	3	315.461	4.166	40	0		DIABHO
CCCCN(CCCC)CC(O)C[NH+](CCCC)CCCC	ZINC000004416098	181108127	/nfs/dbraw/zinc/10/81/27/181108127.db2.gz	LJWZTCGLNIQHNW-UHFFFAOYSA-N	1	3	314.558	4.152	40	0		DIABHO
C[NH2+]CCCNc1cc(C)nc2ccc(Oc3ccccc3)cc21	ZINC000222690983	563727387	/nfs/dbraw/zinc/72/73/87/563727387.db2.gz	UTCXQNIVMHZZFH-UHFFFAOYSA-N	1	3	321.424	4.357	40	0		DIABHO
C[NH2+]CCCNc1ccnc2ccc(Oc3ccccc3)cc21	ZINC000222681904	563727452	/nfs/dbraw/zinc/72/74/52/563727452.db2.gz	YSUHERJDFJPYPJ-UHFFFAOYSA-N	1	3	307.397	4.049	40	0		DIABHO
CC[NH+](CC)CCC[C@H](C)Nc1ccnc2cc(OC)ccc21	ZINC000001687505	563924802	/nfs/dbraw/zinc/92/48/02/563924802.db2.gz	UPZNYIXLPMJBBS-HNNXBMFYSA-N	1	3	315.461	4.166	40	0		DIABHO