smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1F	ZINC000000065483	567817272	/nfs/dbraw/zinc/81/72/72/567817272.db2.gz	NVQGZLDNIDSMQC-CNHKJKLMSA-N	0	1	298.144	4.897	50	30		CJEAMN
Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1	ZINC000000101025	567818192	/nfs/dbraw/zinc/81/81/92/567818192.db2.gz	SGVXJWPZLXLKNG-CAOOACKPSA-N	0	1	280.154	4.758	50	30		CJEAMN
C/C(=N\Cc1ccccc1)c1cc(Cl)cc(Cl)c1O	ZINC000000130774	570382466	/nfs/dbraw/zinc/38/24/66/570382466.db2.gz	GBGLMAKHLWWEEE-VCHYOVAHSA-N	0	1	294.181	4.708	50	30		CJEAMN
C=C(C)C[C@H](N[C@@H](C)c1ccccc1)c1ccco1	ZINC000000236453	566899618	/nfs/dbraw/zinc/89/96/18/566899618.db2.gz	CLZVZSIVKCIDEL-HOCLYGCPSA-N	0	1	255.361	4.638	50	30		CJEAMN
C=C(C)C[C@H](N[C@H](C)c1ccccc1)c1ccco1	ZINC000000236458	566900260	/nfs/dbraw/zinc/90/02/60/566900260.db2.gz	CLZVZSIVKCIDEL-ZBFHGGJFSA-N	0	1	255.361	4.638	50	30		CJEAMN
C=C(C)C[C@@H](N[C@@H](C)c1ccccc1)c1ccco1	ZINC000000236461	566899613	/nfs/dbraw/zinc/89/96/13/566899613.db2.gz	CLZVZSIVKCIDEL-GOEBONIOSA-N	0	1	255.361	4.638	50	30		CJEAMN
C=C(C)C[C@@H](N[C@H](C)c1ccccc1)c1ccco1	ZINC000000236464	566900238	/nfs/dbraw/zinc/90/02/38/566900238.db2.gz	CLZVZSIVKCIDEL-GDBMZVCRSA-N	0	1	255.361	4.638	50	30		CJEAMN
C=C(C)C[C@H](N[C@H](C)c1ccco1)c1ccccc1	ZINC000000355892	169615954	/nfs/dbraw/zinc/61/59/54/169615954.db2.gz	OLLUPEAIUMBQDV-ZBFHGGJFSA-N	0	1	255.361	4.638	50	30		CJEAMN
C=C(C)C[C@@H](N[C@@H](C)c1ccco1)c1ccccc1	ZINC000000355895	566899648	/nfs/dbraw/zinc/89/96/48/566899648.db2.gz	OLLUPEAIUMBQDV-GOEBONIOSA-N	0	1	255.361	4.638	50	30		CJEAMN
C=C(C)C[C@@H](N[C@H](C)c1ccco1)c1ccccc1	ZINC000000355896	566899587	/nfs/dbraw/zinc/89/95/87/566899587.db2.gz	OLLUPEAIUMBQDV-GDBMZVCRSA-N	0	1	255.361	4.638	50	30		CJEAMN
Clc1ccc(C=Nc2ccc3nc[nH]c3c2)c(Cl)c1	ZINC000000362000	567826644	/nfs/dbraw/zinc/82/66/44/567826644.db2.gz	MDJJAAKDBARIOF-REZTVBANSA-N	0	1	290.153	4.620	50	30		CJEAMN
N#Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1	ZINC000000405021	570388189	/nfs/dbraw/zinc/38/81/89/570388189.db2.gz	HVLSZBYUJAGGLM-UHFFFAOYSA-N	0	1	271.319	4.598	50	30		CJEAMN
Cc1ccc(NC2=NC(C)(C)Cc3cc(C)c(C)cc32)cc1	ZINC000001193999	566840185	/nfs/dbraw/zinc/84/01/85/566840185.db2.gz	FBTIYMHPYCTUFX-UHFFFAOYSA-N	0	1	292.426	4.614	50	30		CJEAMN
CCCCCCCCCCSc1nc(CCC)n[nH]1	ZINC000002177827	567845042	/nfs/dbraw/zinc/84/50/42/567845042.db2.gz	PUMYFEHZBQCZCC-UHFFFAOYSA-N	0	1	283.485	4.990	50	30		CJEAMN
CCCCCCCCCCSc1nnc(CCC)[nH]1	ZINC000002177827	567845040	/nfs/dbraw/zinc/84/50/40/567845040.db2.gz	PUMYFEHZBQCZCC-UHFFFAOYSA-N	0	1	283.485	4.990	50	30		CJEAMN
[O-]C(Nc1ccc(Cl)c(Cl)c1)=[NH+]c1ccccc1	ZINC000003098844	567851177	/nfs/dbraw/zinc/85/11/77/567851177.db2.gz	QQYLEGFGULSHPX-UHFFFAOYSA-N	0	1	281.142	4.651	50	30	in-vitro	CJEAMN
Cc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000003162059	567852031	/nfs/dbraw/zinc/85/20/31/567852031.db2.gz	PPCMXWAVIIIOQZ-CAOOACKPSA-N	0	1	280.154	4.758	50	30		CJEAMN
O=C(/C=C/c1c(Cl)cccc1Cl)c1ccccc1O	ZINC000004252544	567856252	/nfs/dbraw/zinc/85/62/52/567856252.db2.gz	DBQYHWPRRQKNKQ-CMDGGOBGSA-N	0	1	293.149	4.595	50	30		CJEAMN
C=C(C)C[C@H](N[C@@H](C)c1ccco1)c1ccccc1	ZINC000004298749	566890395	/nfs/dbraw/zinc/89/03/95/566890395.db2.gz	OLLUPEAIUMBQDV-HOCLYGCPSA-N	0	1	255.361	4.638	50	30		CJEAMN
Cc1[nH]c2ccccc2c1/C=N/C12CC3CC(CC(C3)C1)C2	ZINC000004452437	567932395	/nfs/dbraw/zinc/93/23/95/567932395.db2.gz	UYZRISZGCVLYLO-CIAFOILYSA-N	0	1	292.426	4.864	50	30		CJEAMN
C(=Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccccc1	ZINC000004579361	567858020	/nfs/dbraw/zinc/85/80/20/567858020.db2.gz	ZCTQQBJMUFGNEV-KGENOOAVSA-N	0	1	297.361	4.981	50	30		CJEAMN
Cc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1	ZINC000004836750	170026419	/nfs/dbraw/zinc/02/64/19/170026419.db2.gz	LPRBBVARHHTUBA-JLHYYAGUSA-N	0	1	288.346	4.750	50	30		CJEAMN
O=C(/C=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1	ZINC000004865544	170033008	/nfs/dbraw/zinc/03/30/08/170033008.db2.gz	ORCJDCVDGAZOAL-VOTSOKGWSA-N	0	1	293.149	4.595	50	30		CJEAMN
O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccccc1O	ZINC000005101819	170066366	/nfs/dbraw/zinc/06/63/66/170066366.db2.gz	BPYVYBKYFSXRCH-SOFGYWHQSA-N	0	1	293.149	4.595	50	30		CJEAMN
CC(C)c1ccc(C=NNc2nc3ccccc3s2)cc1	ZINC000005413544	170095741	/nfs/dbraw/zinc/09/57/41/170095741.db2.gz	PDTYPSGPNIQEEG-WOJGMQOQSA-N	0	1	295.411	4.866	50	30		CJEAMN
CC(N=Nc1cccc2cccnc21)c1ccc(Cl)cc1	ZINC000005620768	170120864	/nfs/dbraw/zinc/12/08/64/170120864.db2.gz	FPAVEIDSKCBXKY-NDENLUEZSA-N	0	1	295.773	4.724	50	30		CJEAMN
C=CCCCCCCCCc1n[nH]c(SCCC)n1	ZINC000006075919	170174309	/nfs/dbraw/zinc/17/43/09/170174309.db2.gz	MFPZGDKQDOXXHZ-UHFFFAOYSA-N	0	1	281.469	4.766	50	30		CJEAMN
C=CCCCCCCCCc1nnc(SCCC)[nH]1	ZINC000006075919	170174307	/nfs/dbraw/zinc/17/43/07/170174307.db2.gz	MFPZGDKQDOXXHZ-UHFFFAOYSA-N	0	1	281.469	4.766	50	30		CJEAMN
C=CCCCCCCCCc1n[nH]c(SCC=C)n1	ZINC000006780727	170243130	/nfs/dbraw/zinc/24/31/30/170243130.db2.gz	CMKGCIHUDXJZQJ-UHFFFAOYSA-N	0	1	279.453	4.542	50	30		CJEAMN
C=CCCCCCCCCc1nc(SCC=C)n[nH]1	ZINC000006780727	170243128	/nfs/dbraw/zinc/24/31/28/170243128.db2.gz	CMKGCIHUDXJZQJ-UHFFFAOYSA-N	0	1	279.453	4.542	50	30		CJEAMN
C(=NNc1ccccn1)c1c2ccccc2cc2ccccc21	ZINC000008036138	170315525	/nfs/dbraw/zinc/31/55/25/170315525.db2.gz	SODTZZKQMRPFNQ-HMAPJEAMSA-N	0	1	297.361	4.834	50	30		CJEAMN
c1ccc(/N=C(\Nc2ccccc2)c2ccccc2)cc1	ZINC000012375728	567863107	/nfs/dbraw/zinc/86/31/07/567863107.db2.gz	PMYWPCUIMGLRHO-UHFFFAOYSA-N	0	1	272.351	4.877	50	30		CJEAMN
CC(C)[C@@H](NCc1ccccc1C#N)c1ccc(Cl)cc1	ZINC000012777430	566886001	/nfs/dbraw/zinc/88/60/01/566886001.db2.gz	NNZVJJJSPOYONM-GOSISDBHSA-N	0	1	298.817	4.699	50	30		CJEAMN
CC(C)[C@H](NCc1ccccc1C#N)c1ccc(Cl)cc1	ZINC000012777436	566885173	/nfs/dbraw/zinc/88/51/73/566885173.db2.gz	NNZVJJJSPOYONM-SFHVURJKSA-N	0	1	298.817	4.699	50	30		CJEAMN
C(=Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccco1	ZINC000013233963	567865659	/nfs/dbraw/zinc/86/56/59/567865659.db2.gz	WSKZYRVNVXGUFZ-XDHOZWIPSA-N	0	1	287.322	4.574	50	30		CJEAMN
C=CCc1ccccc1OCc1nc2ccc(Cl)cc2[nH]1	ZINC000015833519	566897763	/nfs/dbraw/zinc/89/77/63/566897763.db2.gz	WQJMDFNBENPLEH-UHFFFAOYSA-N	0	1	298.773	4.524	50	30		CJEAMN
C=CCc1ccccc1O[C@H](C)c1nc2ccc(C)cc2[nH]1	ZINC000015833612	566897929	/nfs/dbraw/zinc/89/79/29/566897929.db2.gz	BJDJRQAYNGXQLC-CQSZACIVSA-N	0	1	292.382	4.740	50	30		CJEAMN
C=CCc1ccccc1O[C@@H](C)c1nc2ccc(C)cc2[nH]1	ZINC000015833613	566897690	/nfs/dbraw/zinc/89/76/90/566897690.db2.gz	BJDJRQAYNGXQLC-AWEZNQCLSA-N	0	1	292.382	4.740	50	30		CJEAMN
C=CCc1ccccc1O[C@H](C)c1nc2cccc(C)c2[nH]1	ZINC000016903911	566897855	/nfs/dbraw/zinc/89/78/55/566897855.db2.gz	NZXWJCHITKZAEV-CQSZACIVSA-N	0	1	292.382	4.740	50	30		CJEAMN
C=CCc1ccccc1O[C@@H](C)c1nc2cccc(C)c2[nH]1	ZINC000016903913	566897815	/nfs/dbraw/zinc/89/78/15/566897815.db2.gz	NZXWJCHITKZAEV-AWEZNQCLSA-N	0	1	292.382	4.740	50	30		CJEAMN
C=CCc1ccccc1O[C@H](C)c1nc2ccc(F)cc2[nH]1	ZINC000016903978	566896645	/nfs/dbraw/zinc/89/66/45/566896645.db2.gz	BLOKQHIOWJMIPA-GFCCVEGCSA-N	0	1	296.345	4.571	50	30		CJEAMN
C=CCc1ccccc1O[C@@H](C)c1nc2ccc(F)cc2[nH]1	ZINC000016903980	566896181	/nfs/dbraw/zinc/89/61/81/566896181.db2.gz	BLOKQHIOWJMIPA-LBPRGKRZSA-N	0	1	296.345	4.571	50	30		CJEAMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(F)c1	ZINC000086040946	179221918	/nfs/dbraw/zinc/22/19/18/179221918.db2.gz	RQSIKHBTIRHDHC-REZTVBANSA-N	0	1	284.117	4.589	50	30		CJEAMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1F	ZINC000086040949	179222030	/nfs/dbraw/zinc/22/20/30/179222030.db2.gz	MIPPXAQHYOTYRV-REZTVBANSA-N	0	1	284.117	4.589	50	30		CJEAMN
CCCCCCC#CCN1CCCC[C@H]1c1cccnc1	ZINC000097966187	528113315	/nfs/dbraw/zinc/11/33/15/528113315.db2.gz	SNZLEGRSQZFEKW-IBGZPJMESA-N	0	1	284.447	4.582	50	30		CJEAMN
CCCCCCCCC[C@@H](C(=O)OCC)N1CCCCC1	ZINC000097973049	567905346	/nfs/dbraw/zinc/90/53/46/567905346.db2.gz	VNYWQBIQLDQNRS-KRWDZBQOSA-N	0	1	297.483	4.545	50	30		CJEAMN
CCCCCCCCC[C@H](C(=O)OCC)N1CCCCC1	ZINC000097973050	567911409	/nfs/dbraw/zinc/91/14/09/567911409.db2.gz	VNYWQBIQLDQNRS-QGZVFWFLSA-N	0	1	297.483	4.545	50	30		CJEAMN
CCCCCCCc1ccc([C@@H]2NCCS2)cc1	ZINC000100007577	567911910	/nfs/dbraw/zinc/91/19/10/567911910.db2.gz	YATIBVVJYZDFRO-MRXNPFEDSA-N	0	1	263.450	4.535	50	30		CJEAMN
CCCCCCCc1ccc([C@H]2NCCS2)cc1	ZINC000100007579	567911915	/nfs/dbraw/zinc/91/19/15/567911915.db2.gz	YATIBVVJYZDFRO-INIZCTEOSA-N	0	1	263.450	4.535	50	30		CJEAMN
Cc1ccc2[nH]c3c(c2c1)CCC/C3=N\Cc1ccccc1	ZINC000100011863	567911877	/nfs/dbraw/zinc/91/18/77/567911877.db2.gz	WHGHCLLUXRGSAY-XUTLUUPISA-N	0	1	288.394	4.802	50	30		CJEAMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(F)cc1	ZINC000100031709	567911940	/nfs/dbraw/zinc/91/19/40/567911940.db2.gz	KQIBIFGOGGLEGX-REZTVBANSA-N	0	1	284.117	4.589	50	30		CJEAMN
Cc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1	ZINC000101671342	567914918	/nfs/dbraw/zinc/91/49/18/567914918.db2.gz	BYHALPLBUJVMEC-CAOOACKPSA-N	0	1	280.154	4.758	50	30		CJEAMN
Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1F	ZINC000252461881	567051819	/nfs/dbraw/zinc/05/18/19/567051819.db2.gz	NVQGZLDNIDSMQC-UHFFFAOYSA-N	0	1	298.144	4.897	50	30		CJEAMN
Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1	ZINC000252462443	570270257	/nfs/dbraw/zinc/27/02/57/570270257.db2.gz	SGVXJWPZLXLKNG-UHFFFAOYSA-N	0	1	280.154	4.758	50	30		CJEAMN