smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(=NNc1nccc2sc(-c3ccccc3)cc21)c1cccnc1	ZINC000045314574	213725214	/nfs/dbraw/zinc/72/52/14/213725214.db2.gz	LRWWSNFTANQPQU-LPYMAVHISA-N	0	1	330.416	4.804	1	30		EJEFMN
COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(O)c1CC=C(C)C	ZINC000005158961	291013035	/nfs/dbraw/zinc/01/30/35/291013035.db2.gz	XDKYBPGIBVMHHB-KPKJPENVSA-N	0	1	338.403	4.511	3	30	biogenic,in-vitro	EJEFMN
Cc1ccc2cc(C=NNc3nc4ccccc4[nH]3)c(Cl)nc2c1	ZINC000050647973	214063638	/nfs/dbraw/zinc/06/36/38/214063638.db2.gz	ZKRUMXFCCXBUME-JMIUGGIZSA-N	0	1	335.798	4.519	1	30		EJEFMN
COc1cccc(/C=C/C(=O)c2ccccc2O)c1-c1ccc(O)cc1	ZINC000103272690	219279805	/nfs/dbraw/zinc/27/98/05/219279805.db2.gz	AMWZAKGPXAYYJI-SDNWHVSQSA-N	0	1	346.382	4.670	1	30		EJEFMN
COc1ccc(C=NNc2c3ccccc3nc3c2CCCC3)cc1	ZINC000029135552	202181231	/nfs/dbraw/zinc/18/12/31/202181231.db2.gz	GFCBUUVDZZVXIM-HYARGMPZSA-N	0	1	331.419	4.568	1	30		EJEFMN
CCCC[C@@]12Cc3c(ccc4[nH]nnc43)C1=C(c1ccco1)C(=O)CC2	ZINC000034043325	581094529	/nfs/dbraw/zinc/09/45/29/581094529.db2.gz	AYXPBYVGQSZELF-OAQYLSRUSA-N	0	1	347.418	4.557	1	30		EJEFMN
O=c1[nH][nH]c(-c2ccccc2)c1C=Nc1ccc(C(F)(F)F)cc1	ZINC000101674904	219155168	/nfs/dbraw/zinc/15/51/68/219155168.db2.gz	XQAIXLLSPGQYNJ-UFFVCSGVSA-N	0	1	331.297	4.552	1	30		EJEFMN
N#Cc1c(=O)[nH]c(SCc2ccccc2)c2c1-c1ccccc1CC2	ZINC000073160355	216358354	/nfs/dbraw/zinc/35/83/54/216358354.db2.gz	QVUNFYOXAPUVEZ-UHFFFAOYSA-N	0	1	344.439	4.717	1	30		EJEFMN
CCCCCCCCCCCCCC[NH2+]CCC[P@](=O)([O-])O	ZINC000036178324	213075466	/nfs/dbraw/zinc/07/54/66/213075466.db2.gz	ROTPOJPBVJTWLI-UHFFFAOYSA-N	0	1	335.469	4.845	1	30	in-vivo	EJEFMN
C(=NN=c1[nH]c2ccccc2[nH]1)c1cccc(Oc2ccccc2)c1	ZINC000031939404	202214244	/nfs/dbraw/zinc/21/42/44/202214244.db2.gz	GVCOZZLGDAWONE-STZFKDTASA-N	0	1	328.375	4.801	1	30		EJEFMN
CCC(N=Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1	ZINC000073010429	203254069	/nfs/dbraw/zinc/25/40/69/203254069.db2.gz	WOZNDRYNJWTXRL-PGMHBOJBSA-N	0	1	325.799	4.820	1	30		EJEFMN
CC1=C(O)[C@](C)(Cc2ccc(-c3ccc(F)cc3)cc2)SC1=O	ZINC000101127832	219117189	/nfs/dbraw/zinc/11/71/89/219117189.db2.gz	YJNXXGGUQLYOBB-IBGZPJMESA-N	0	1	328.408	4.899	1	30		EJEFMN
Cc1cc(O)c(C(C)C)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1	ZINC000103286985	219284023	/nfs/dbraw/zinc/28/40/23/219284023.db2.gz	DHKKXNUIFLYBKO-UHFFFAOYSA-N	0	1	344.414	4.718	1	30		EJEFMN
CCCCCCCC(=O)CC(=O)C1=Cc2cc(OC)c(O)cc2CC1	ZINC000085630825	291011342	/nfs/dbraw/zinc/01/13/42/291011342.db2.gz	DLHRPZGMAJKFSJ-UHFFFAOYSA-N	0	1	344.451	4.619	1	30	biogenic,in-vitro	EJEFMN
CCCC[C@]12Cc3c(ccc4[nH]nnc43)C1=C(c1ccco1)C(=O)CC2	ZINC000034043324	581094568	/nfs/dbraw/zinc/09/45/68/581094568.db2.gz	AYXPBYVGQSZELF-NRFANRHFSA-N	0	1	347.418	4.557	1	30		EJEFMN
CCC(N=Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1	ZINC000020929254	212189507	/nfs/dbraw/zinc/18/95/07/212189507.db2.gz	WOZNDRYNJWTXRL-LTGZKZEYSA-N	0	1	325.799	4.820	1	30		EJEFMN
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@@]2(CCC1CCCC1)[C@H](N)C=O	ZINC000085544975	291010186	/nfs/dbraw/zinc/01/01/86/291010186.db2.gz	XHXICMNCLDMENI-YWOYSKAPSA-N	0	1	329.528	4.728	1	30	biogenic,in-vitro	EJEFMN
CCCCCCCCNc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[nH]1	ZINC000003649644	210072477	/nfs/dbraw/zinc/07/24/77/210072477.db2.gz	CNDWTXKCQBNRDQ-UHFFFAOYSA-N	0	1	338.455	4.802	1	30		EJEFMN
CCCCCCCCNc1nc(-c2ccc(F)cc2)c(C#N)c(=O)[nH]1	ZINC000003649667	210071824	/nfs/dbraw/zinc/07/18/24/210071824.db2.gz	PKKHECMOCRWNFC-UHFFFAOYSA-N	0	1	342.418	4.632	1	30		EJEFMN
CON=C1[C@H](C)[C@@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@@H]1C	ZINC000073196741	203259872	/nfs/dbraw/zinc/25/98/72/203259872.db2.gz	SRTYIJAODZICQH-VUIMYGBESA-N	0	1	344.405	4.625	1	30		EJEFMN
CC1=C(O)[C@@](C)(Cc2ccc(-c3ccc(F)cc3)cc2)SC1=O	ZINC000101127829	219117224	/nfs/dbraw/zinc/11/72/24/219117224.db2.gz	YJNXXGGUQLYOBB-LJQANCHMSA-N	0	1	328.408	4.899	1	30		EJEFMN
O=C(C=Cc1ccc(O)cc1)C1CCCC(=Cc2ccc(O)cc2)C1=O	ZINC000101124710	204001394	/nfs/dbraw/zinc/00/13/94/204001394.db2.gz	ANRKHLSALNIQSZ-LAJWUWDBSA-N	0	1	348.398	4.760	1	30		EJEFMN
ON=Cc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)cc1	ZINC000028564088	581096396	/nfs/dbraw/zinc/09/63/96/581096396.db2.gz	SNRTVQGDEVGTKE-OEAKJJBVSA-N	0	1	340.386	4.614	1	30		EJEFMN