smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]CCNc1ccc(C)c2sc3ccc([O-])cc3c(=O)c12	ZINC000005392817	181239031	/nfs/dbraw/zinc/23/90/31/181239031.db2.gz	DUPPMHIWMCMSTI-UHFFFAOYSA-N	0	3	314.410	3.060	1	5		DGBFHN
O=c1c2ccc(Cl)cc2oc2ccc(CNCCCO)cc12	ZINC000040876370	183145178	/nfs/dbraw/zinc/14/51/78/183145178.db2.gz	PMOQAGYYXHOGHK-UHFFFAOYSA-N	0	3	317.772	3.072	1	5		DGBFHN
C[C@H](CO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000038540281	183001682	/nfs/dbraw/zinc/00/16/82/183001682.db2.gz	ZNYFJUIMEHHJBT-SNVBAGLBSA-N	0	3	317.772	3.070	1	5		DGBFHN
c1ccc2c(c1)[nH]c1c2nc2ccccc2c1N1CCNCC1	ZINC000095580366	185381247	/nfs/dbraw/zinc/38/12/47/185381247.db2.gz	RAAJVQUHQNLMOP-UHFFFAOYSA-N	0	3	302.381	3.279	1	5		DGBFHN
CCc1ccc2nc3c(cccc3C(=O)NCCN(C)C)cc2c1	ZINC000029558473	182570580	/nfs/dbraw/zinc/57/05/80/182570580.db2.gz	MOICDZAGYFKKOB-UHFFFAOYSA-N	0	3	321.424	3.242	1	5		DGBFHN
C[C@@H](CO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000038540279	183001665	/nfs/dbraw/zinc/00/16/65/183001665.db2.gz	ZNYFJUIMEHHJBT-JTQLQIEISA-N	0	3	317.772	3.070	1	5		DGBFHN
CCCCn1c2nc3ccccc3nc2c2c1nc(C)oc2=N	ZINC000004200556	181084360	/nfs/dbraw/zinc/08/43/60/181084360.db2.gz	MFCLCOINRKWJOT-UHFFFAOYSA-N	0	3	307.357	3.314	3	5		DGBFHN
CN(C)CCn1nc2c3c1cc1[nH]cnc1c3oc1ccccc21	ZINC000040585284	183106229	/nfs/dbraw/zinc/10/62/29/183106229.db2.gz	JHZZIUDDSJTICK-UHFFFAOYSA-N	0	3	319.368	3.374	1	5		DGBFHN
CC(CO)(CO)NCc1c2c3c(cccc3c3ccccc31)C=C2	ZINC000003791641	181046062	/nfs/dbraw/zinc/04/60/62/181046062.db2.gz	SLALOZRZLIQEGO-UHFFFAOYSA-N	0	3	319.404	3.310	1	5		DGBFHN
C[C@@H](CO)NCc1ccc2oc3ccc(Cl)cc3c(=O)c2c1	ZINC000095589163	185382244	/nfs/dbraw/zinc/38/22/44/185382244.db2.gz	ZNIQTOARIRNGEN-JTQLQIEISA-N	0	3	317.772	3.070	1	5		DGBFHN
C[C@H](CO)NCc1ccc2oc3ccc(Cl)cc3c(=O)c2c1	ZINC000095591026	185381945	/nfs/dbraw/zinc/38/19/45/185381945.db2.gz	ZNIQTOARIRNGEN-SNVBAGLBSA-N	0	3	317.772	3.070	1	5		DGBFHN