smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CO)NCc1ccc(O)c(O)c1	778927220	582872382	/nfs/dbraw/zinc/87/23/82/582872382.db2.gz	LQRXULGUYRHHQV-UHFFFAOYSA-N	0	0	197.190	-0.294	20	10		ABCDRN
CC(=O)C(=O)Cn1nccc1[N+](=O)[O-]	808022718	582957088	/nfs/dbraw/zinc/95/70/88/582957088.db2.gz	OINCNAYOZDSCMC-UHFFFAOYSA-N	0	0	197.150	-0.051	20	10		ABCDRN
CC(=O)C(=O)Cn1nnnc1C(C)C	808022621	582957090	/nfs/dbraw/zinc/95/70/90/582957090.db2.gz	MOAUIYVIUSAJCE-UHFFFAOYSA-N	0	0	196.210	-0.045	20	10		ABCDRN
CC(=O)C(=O)Cn1nnc(C2CC2)n1	808036304	582957109	/nfs/dbraw/zinc/95/71/09/582957109.db2.gz	MXZFKQXCIYGWIN-UHFFFAOYSA-N	0	0	194.194	-0.291	20	10		ABCDRN
CC(=O)C(=O)Cn1cc([N+](=O)[O-])cn1	808020146	582957196	/nfs/dbraw/zinc/95/71/96/582957196.db2.gz	PTALCJOOXDCYHZ-UHFFFAOYSA-N	0	0	197.150	-0.051	20	10		ABCDRN
CCCc1nnnn1CC(=O)C(C)=O	808022356	582957580	/nfs/dbraw/zinc/95/75/80/582957580.db2.gz	JMTRPUASXFONGI-UHFFFAOYSA-N	0	0	196.210	-0.216	20	10		ABCDRN
CC(=O)C(O)=C(O)C(C)=O	39069362	343196303	/nfs/dbraw/zinc/19/63/03/343196303.db2.gz	OKDWWGVTKQPUTM-YFKPBYRVSA-N	0	0	144.126	-0.906	20	10		ABCDRN
O=C(NCCO)c1cccc(O)c1O	6091713	169328875	/nfs/dbraw/zinc/32/88/75/169328875.db2.gz	NPGHQBAAQRJMAI-UHFFFAOYSA-N	0	0	197.190	-0.180	20	10		ABCDRN
CC(=O)OCC(=O)C(C)=O	39038151	171071481	/nfs/dbraw/zinc/07/14/81/171071481.db2.gz	ZHZHTSMRXAGQAN-UHFFFAOYSA-N	0	0	144.126	-0.292	20	10		ABCDRN
CN1NNC=C1N=N	238853573	344823725	/nfs/dbraw/zinc/82/37/25/344823725.db2.gz	KDIGXSKFNSIIJD-UHFFFAOYSA-N	0	0	113.124	-0.229	20	10		ABCDRN
CC(=O)C(O)=C(O)C(C)=O	141213834	344004798	/nfs/dbraw/zinc/00/47/98/344004798.db2.gz	OKDWWGVTKQPUTM-RXMQYKEDSA-N	0	0	144.126	-0.906	20	10		ABCDRN
CC(=O)C(=O)Cn1ncsc1=O	306498545	630115354	/nfs/dbraw/zinc/11/53/54/630115354.db2.gz	UHULFYMULIMPDZ-UHFFFAOYSA-N	0	0	186.192	-0.537	20	10		ABCDRN
CC(=O)C(=O)COc1nc(C)no1	308352142	573340315	/nfs/dbraw/zinc/34/03/15/573340315.db2.gz	ZAHAYPOZEVQKPQ-UHFFFAOYSA-N	0	0	184.151	-0.085	20	10		ABCDRN