smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1C(=O)NC(=O)N=C1N	40176440	166142662	/nfs/dbraw/zinc/14/26/62/166142662.db2.gz	UWLFODZUWXPKSX-UHFFFAOYSA-N	0	2	139.114	-0.436	10	10		ABCELN
CCOC=C1C(=O)NC(=O)NC1=O	3267787	167383765	/nfs/dbraw/zinc/38/37/65/167383765.db2.gz	DLIMPNLKOVMTII-UHFFFAOYSA-N	0	2	184.151	-0.727	10	10		ABCELN
Nc1ccc(-n2[nH]c(=O)[nH]c2=O)cc1	35452569	169290487	/nfs/dbraw/zinc/29/04/87/169290487.db2.gz	HWXMNDBYJMURMY-UHFFFAOYSA-N	0	2	192.178	-0.564	10	10		ABCELN
Nc1ccccc1C1C(=O)NNC1=O	20217455	169298847	/nfs/dbraw/zinc/29/88/47/169298847.db2.gz	VRXMMIADYNZOOJ-UHFFFAOYSA-N	0	2	191.190	-0.487	10	10		ABCELN
O=C1NC(=O)C(=CO)N1	100248248	169384489	/nfs/dbraw/zinc/38/44/89/169384489.db2.gz	MJHCCLFTRZOZSH-UPHRSURJSA-N	0	2	128.087	-0.775	10	10		ABCELN
O=C1c2nc[nH]c2C(=O)c2nc[nH]c21	143968117	171159904	/nfs/dbraw/zinc/15/99/04/171159904.db2.gz	PNBDXKUYTMQOMX-UHFFFAOYSA-N	0	2	188.146	-0.092	10	10		ABCELN
O=C1c2nc[nH]c2C(=O)c2[nH]cnc21	143968117	171159905	/nfs/dbraw/zinc/15/99/05/171159905.db2.gz	PNBDXKUYTMQOMX-UHFFFAOYSA-N	0	2	188.146	-0.092	10	10		ABCELN
O=c1cc(O)n(-c2ccccn2)[nH]1	90649029	171223858	/nfs/dbraw/zinc/22/38/58/171223858.db2.gz	MWGOLNLASXSHNW-UHFFFAOYSA-N	0	2	177.163	-0.151	10	10		ABCELN
O=Cc1c(O)nc[nH]c1=O	100190915	171225026	/nfs/dbraw/zinc/22/50/26/171225026.db2.gz	IIENOMUDGIADAW-UHFFFAOYSA-N	0	2	140.098	-0.887	10	10		ABCELN
CNC(=O)c1cc(O)[nH]c(=O)c1	170223357	344353143	/nfs/dbraw/zinc/35/31/43/344353143.db2.gz	QYXZNKVSBKSFFQ-UHFFFAOYSA-N	0	2	168.152	-0.148	10	10		ABCELN
CONC(=O)c1cc(O)[nH]c(=O)c1	575551168	352641050	/nfs/dbraw/zinc/64/10/50/352641050.db2.gz	GFWGBRMDHBPJOV-UHFFFAOYSA-N	0	2	184.151	-0.216	10	10		ABCELN
COC(=O)C1=C(N)C(=O)NC(=O)C1	238373885	573380713	/nfs/dbraw/zinc/38/07/13/573380713.db2.gz	JZJNDXWGHXILOK-UHFFFAOYSA-N	0	2	184.151	-0.138	10	10		ABCELN
NC1=C([N+](=O)[O-])C(=O)NC(=O)C1	687728332	571900614	/nfs/dbraw/zinc/90/06/14/571900614.db2.gz	XCAQOLLNXGPTBN-UHFFFAOYSA-N	0	2	171.112	-0.017	10	10		ABCELN
C[C@H]1CC(=O)C(O)=C1O	105332208	573252657	/nfs/dbraw/zinc/25/26/57/573252657.db2.gz	AODHYZHPIVHXLA-WVZVXSGGSA-N	0	2	128.127	-0.475	10	10		ABCELN
C[C@@H]1CC(=O)C(O)=C1O	105332210	573253252	/nfs/dbraw/zinc/25/32/52/573253252.db2.gz	AODHYZHPIVHXLA-WUJLRWPWSA-N	0	2	128.127	-0.475	10	10		ABCELN
C[C@@H]1CC(=O)C(O)=C1O	105332204	573254638	/nfs/dbraw/zinc/25/46/38/573254638.db2.gz	AODHYZHPIVHXLA-NQXXGFSBSA-N	0	2	128.127	-0.475	10	10		ABCELN
C[C@H]1CC(=O)C(O)=C1O	105332212	573255222	/nfs/dbraw/zinc/25/52/22/573255222.db2.gz	AODHYZHPIVHXLA-UCORVYFPSA-N	0	2	128.127	-0.475	10	10		ABCELN
O=C1CCC[C@H](O)C1=O	110287776	573925779	/nfs/dbraw/zinc/92/57/79/573925779.db2.gz	AZMCIFFZRMMQCH-BYPYZUCNSA-N	0	2	128.127	-0.331	10	10		ABCELN
O=C1CCC[C@@H](O)C1=O	110287780	573928206	/nfs/dbraw/zinc/92/82/06/573928206.db2.gz	AZMCIFFZRMMQCH-SCSAIBSYSA-N	0	2	128.127	-0.331	10	10		ABCELN