smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OCC	ZINC000026502789	202144307	/nfs/dbraw/zinc/14/43/07/202144307.db2.gz	BWPMVMNCMKRGMG-OAHLLOKOSA-O	0	1	340.421	3.202	1	5		EGBFMN
C[C@@H](CO)N(C)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000036423998	202326460	/nfs/dbraw/zinc/32/64/60/202326460.db2.gz	OXNBUPMQAPCVRI-NSHDSACASA-N	0	1	331.799	3.412	1	5		EGBFMN
C[N+](C)(C)CCO[P@](=O)([O-])OCC12CC3CC(CC(C3)C1)C2	ZINC000027862674	202160981	/nfs/dbraw/zinc/16/09/81/202160981.db2.gz	XOSCLUDJUKBMDI-UHFFFAOYSA-O	0	1	332.401	3.043	1	5		EGBFMN
C=C1N=C(C)C(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000101664215	204018521	/nfs/dbraw/zinc/01/85/21/204018521.db2.gz	OVZTYDSBCJWESI-WTNDLDAUSA-N	0	1	346.339	3.016	1	5		EGBFMN
CCCCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000040810601	213390370	/nfs/dbraw/zinc/39/03/70/213390370.db2.gz	GEYLHUQMIPHSAL-UHFFFAOYSA-N	0	1	338.367	3.419	1	5		EGBFMN
COC(=O)c1cc2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2cc1OC	ZINC000587160460	1298053216	/nfs/dbraw/zinc/05/32/16/1298053216.db2.gz	SODSDZIPRPMEFU-UHFFFAOYSA-N	0	1	345.286	3.072	1	5		EGBFMN
C=C1N=C(C)C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000096179045	218641272	/nfs/dbraw/zinc/64/12/72/218641272.db2.gz	OVZTYDSBCJWESI-WSTOHFRZSA-N	0	1	346.339	3.016	1	5		EGBFMN
C=C1N=C(C)C(C(=O)OC)[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC	ZINC000100234914	219095149	/nfs/dbraw/zinc/09/51/49/219095149.db2.gz	HZAYOBLZTKMKJT-XERWBJCMSA-N	0	1	346.339	3.016	3	5	investigational	EGBFMN
C=C1N=C(C)C(C(=O)OC)[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC	ZINC000019594578	212050538	/nfs/dbraw/zinc/05/05/38/212050538.db2.gz	HZAYOBLZTKMKJT-WTNDLDAUSA-N	0	1	346.339	3.016	3	5	investigational	EGBFMN
COCCN(CCOC)Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000072138176	216024385	/nfs/dbraw/zinc/02/43/85/216024385.db2.gz	SJVFELPSMJHDLH-UHFFFAOYSA-N	0	1	341.407	3.041	3	5		EGBFMN
CCCCn1c2ccccc2nc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000036184971	213075739	/nfs/dbraw/zinc/07/57/39/213075739.db2.gz	UVOHNMMLLOESON-UHFFFAOYSA-N	0	1	338.367	3.419	1	5		EGBFMN
CC[N@@H+](CCO)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000040877085	213395953	/nfs/dbraw/zinc/39/59/53/213395953.db2.gz	SOEKHUIIZKVRQD-UHFFFAOYSA-N	0	1	331.799	3.414	1	5		EGBFMN
CCN(CCO)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000040877085	213395955	/nfs/dbraw/zinc/39/59/55/213395955.db2.gz	SOEKHUIIZKVRQD-UHFFFAOYSA-N	0	1	331.799	3.414	1	5		EGBFMN
C=C1N=C(C)C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000101664218	219154092	/nfs/dbraw/zinc/15/40/92/219154092.db2.gz	OVZTYDSBCJWESI-XERWBJCMSA-N	0	1	346.339	3.016	1	5		EGBFMN
Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3cc(O)ccc3c(=O)c12	ZINC000012405797	211370055	/nfs/dbraw/zinc/37/00/55/211370055.db2.gz	RHDRTOHGTYOMEV-UHFFFAOYSA-N	0	1	337.291	3.054	1	5		EGBFMN
CCCCCC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OCC	ZINC000026502786	717113987	/nfs/dbraw/zinc/11/39/87/717113987.db2.gz	BWPMVMNCMKRGMG-HNNXBMFYSA-O	0	1	340.421	3.202	1	5		EGBFMN