smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	ZINC000040375124	205068120	/nfs/dbraw/zinc/06/81/20/205068120.db2.gz	YLCYDARNSJPGCV-ANTXTCRVSA-N	0	1	356.466	2.451	1	10		FECFMN
O=C(c1ccccc1)n1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21	ZINC000040880268	205084305	/nfs/dbraw/zinc/08/43/05/205084305.db2.gz	OZFWSCCMUQLBRR-UHFFFAOYSA-N	0	1	359.341	2.079	1	10		FECFMN
COc1cc(NC=C2C(=O)OC(C)(C)OC2=O)c(OC)c(C)c1OC	ZINC000102977073	209243356	/nfs/dbraw/zinc/24/33/56/209243356.db2.gz	XEJYFBSURMXZJO-UHFFFAOYSA-N	0	1	351.355	2.153	1	10		FECFMN
CN1CCN(c2ccc3c(c2)CCN(C(=O)c2ccc([N+](=O)[O-])o2)C3)CC1	ZINC000040564139	132946612	/nfs/dbraw/zinc/94/66/12/132946612.db2.gz	XTONOOJINRUDPJ-UHFFFAOYSA-N	0	1	370.409	2.138	1	10		FECFMN
CN(C)S(=O)(=O)C[C@@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	ZINC000009224265	560211163	/nfs/dbraw/zinc/21/11/63/560211163.db2.gz	WYCMFCPHWDZHMR-SKDZVZGDSA-N	0	1	361.511	2.030	1	10	in-vitro	FECFMN
CCOC(=O)c1sc(=NNS(=O)(=O)c2ccc(C)cc2)[nH]c1C	ZINC000064447112	221146809	/nfs/dbraw/zinc/14/68/09/221146809.db2.gz	IABXHQOWIYOIHR-UHFFFAOYSA-N	0	1	355.441	2.242	1	10		FECFMN
CN(C)S(=O)(=O)C[C@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	ZINC000007997205	560206659	/nfs/dbraw/zinc/20/66/59/560206659.db2.gz	WYCMFCPHWDZHMR-OWQGQXMQSA-N	0	1	361.511	2.030	1	10	in-vitro	FECFMN
CCOc1cc(N(CC)CC)ccc1C=C1C(=O)N(c2nn[nH]n2)N=C1C	ZINC000029135578	204896040	/nfs/dbraw/zinc/89/60/40/204896040.db2.gz	POUPBRUMWZTQIQ-GDNBJRDFSA-N	0	1	369.429	2.251	1	10		FECFMN
O=S(=O)(NCC[NH2+]Cc1ccc2cccnc2c1[O-])c1ccccc1	ZINC000053294939	205192254	/nfs/dbraw/zinc/19/22/54/205192254.db2.gz	XJQVBYSDYATUTD-UHFFFAOYSA-N	0	1	357.435	2.009	1	10		FECFMN
CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O)cc1C2=O	ZINC000040873420	208273109	/nfs/dbraw/zinc/27/31/09/208273109.db2.gz	GDKMMJDFCMKFFO-UHFFFAOYSA-N	0	1	354.314	2.327	1	10		FECFMN
c1cncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1	ZINC000095598123	132215956	/nfs/dbraw/zinc/21/59/56/132215956.db2.gz	XTOHBNFGENPQAN-UHFFFAOYSA-N	0	1	360.421	2.464	1	10		FECFMN