smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(Cc1ncc2ccccc2c1CCC#N)[C@H]1CCCc2cccnc21	ZINC000049071611	205169576	/nfs/dbraw/zinc/16/95/76/205169576.db2.gz	CEBJQBJIATWJPT-QFIPXVFZSA-N	0	1	356.473	4.595	1	30		FJEFMN
COc1ccc2c(c1)nc(C)cc2NN=Cc1c(OC)ccc2ccccc21	ZINC000064391047	212036494	/nfs/dbraw/zinc/03/64/94/212036494.db2.gz	KNOKJLYPZGZHLU-OYKKKHCWSA-N	0	1	371.440	4.582	1	30		FJEFMN
CC(N=Nc1nc(-c2ccccc2O)nc2ccccc21)c1ccccc1O	ZINC000101160531	222264120	/nfs/dbraw/zinc/26/41/20/222264120.db2.gz	QRELKMGWOQXSRT-AFUMVMLFSA-N	0	1	370.412	4.544	1	30		FJEFMN
C[C@@]12CCC[C@@H](/C1=N\O)[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1	ZINC000058512739	212012014	/nfs/dbraw/zinc/01/20/14/212012014.db2.gz	DIRKCPJBKNNLRF-QBVSUAIGSA-N	0	1	356.416	4.987	1	30		FJEFMN
CC1C[C@H]2C(=NO)[C@@H](C1)[C@@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1	ZINC000195359956	206331492	/nfs/dbraw/zinc/33/14/92/206331492.db2.gz	FNQVPOMYQDDAEE-HMFFIGPNSA-N	0	1	356.416	4.843	1	30		FJEFMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)CCC)c1ccnc2ccccc21	ZINC000004368356	119348285	/nfs/dbraw/zinc/34/82/85/119348285.db2.gz	OHNDQUSNRRCMEC-SJQULFJYSA-N	0	1	364.489	4.516	1	30		FJEFMN
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2([C@H](N)C=O)[C@H]1C=C[C@H]2CCC[C@H]2C1	ZINC000085544949	291082980	/nfs/dbraw/zinc/08/29/80/291082980.db2.gz	LEMLOUUBCJOPOR-LXDZBRGSSA-N	0	1	353.550	4.750	1	30	biogenic,in-vitro	FJEFMN
CCCCCCCCCCn1c2ccccc2nc1N1CCN(C)CC1	ZINC000038142555	205039243	/nfs/dbraw/zinc/03/92/43/205039243.db2.gz	XTSRPRKHDLLPIX-UHFFFAOYSA-N	0	1	356.558	4.929	1	30		FJEFMN
Cc1n[nH]c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1	ZINC000018178252	211193563	/nfs/dbraw/zinc/19/35/63/211193563.db2.gz	MDWSAPOWENINKH-UFFVCSGVSA-N	0	1	357.841	4.942	1	30		FJEFMN
CCOc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1	ZINC000059587137	291084397	/nfs/dbraw/zinc/08/43/97/291084397.db2.gz	CLHQEZOKYSPTNA-XYOKQWHBSA-N	0	1	368.429	4.607	1	30	biogenic,in-vitro	FJEFMN
COc1ccc(-c2cc(-c3cc(C(C)C)c(O)cc3C)[nH]c(=O)c2C#N)cc1	ZINC000103285341	222331761	/nfs/dbraw/zinc/33/17/61/222331761.db2.gz	KYHRYQFOHDICEJ-UHFFFAOYSA-N	0	1	374.440	4.727	1	30		FJEFMN
COc1ccc(/C=C/C(=O)c2c(O)c(CC=C(C)C)c(O)cc2OC)cc1	ZINC000049807643	291084978	/nfs/dbraw/zinc/08/49/78/291084978.db2.gz	HOOCUUOYPZNVKX-XYOKQWHBSA-N	0	1	368.429	4.520	1	30	biogenic,in-vitro	FJEFMN
Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(C#N)c(=O)[nH]1	ZINC000169353765	206252899	/nfs/dbraw/zinc/25/28/99/206252899.db2.gz	XNNGIWMVYSKXIW-UHFFFAOYSA-N	0	1	351.409	4.884	1	30		FJEFMN
COc1ccc(C=NNc2cc(C)nc3ccc(C)cc32)c2ccccc12	ZINC000064564938	212041022	/nfs/dbraw/zinc/04/10/22/212041022.db2.gz	JBFOZIJFCQIWOD-OYKKKHCWSA-N	0	1	355.441	4.881	1	30		FJEFMN
N#CC(C(=O)c1ccccc1F)c1nc2cc(C(F)(F)F)ccc2s1	ZINC000006567845	204254200	/nfs/dbraw/zinc/25/42/00/204254200.db2.gz	DTKHNGDZAJKRLV-NSHDSACASA-N	0	1	364.323	4.944	1	30		FJEFMN
ON=C1CCc2cc(-c3nc(-c4ccccc4)[nH]c3-c3ccncc3)ccc21	ZINC000100061194	222234299	/nfs/dbraw/zinc/23/42/99/222234299.db2.gz	VSBSSDLCXXCVJB-OOAXWGSJSA-N	0	1	366.424	4.930	1	30		FJEFMN
CCCCCCCCCC[C@@H]1O[C@H](OC)C=C(CN2CCCCC2)C1=O	ZINC000103200083	222324686	/nfs/dbraw/zinc/32/46/86/222324686.db2.gz	GHOLLDHSBBXXLS-SFTDATJTSA-N	0	1	365.558	4.870	1	30		FJEFMN
Cc1[nH]nc(N=CC2C(=O)CC(c3ccco3)CC2=O)c1-c1ccccc1	ZINC000101936463	222286776	/nfs/dbraw/zinc/28/67/76/222286776.db2.gz	CMFHRGBWOTWLKT-HJGVYBFFSA-N	0	1	361.401	4.639	1	30		FJEFMN
CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)C(C)=C3O)cc2)cc1	ZINC000101121568	222262161	/nfs/dbraw/zinc/26/21/61/222262161.db2.gz	KPRDRIQXWXYRGZ-NRFANRHFSA-N	0	1	352.455	4.963	1	30		FJEFMN
COc1cccc(-c2cc(-c3cc(C(C)C)c(O)cc3C)[nH]c(=O)c2C#N)c1	ZINC000103285337	222331466	/nfs/dbraw/zinc/33/14/66/222331466.db2.gz	MUJRFNFDHZWLLY-UHFFFAOYSA-N	0	1	374.440	4.727	1	30		FJEFMN
C=CCOc1ccc(/C=C/C(=O)c2cccc(CC=C)c2O)cc1OC	ZINC000103294879	209251864	/nfs/dbraw/zinc/25/18/64/209251864.db2.gz	XVTNZBDQESNSOR-ZRDIBKRKSA-N	0	1	350.414	4.590	1	30		FJEFMN
Cc1[nH]nc(N=CC2C(=O)CC(c3ccco3)CC2=O)c1-c1ccccc1	ZINC000013758078	220093661	/nfs/dbraw/zinc/09/36/61/220093661.db2.gz	CMFHRGBWOTWLKT-OOXYOOLHSA-N	0	1	361.401	4.639	1	30		FJEFMN
COC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)C(C)=C3O)cc2)cc1	ZINC000101125898	222262983	/nfs/dbraw/zinc/26/29/83/222262983.db2.gz	TYYGYHXULUMPDG-OAQYLSRUSA-N	0	1	368.454	4.547	1	30		FJEFMN
CCCCCCCCCC[C@H]1O[C@@H](OC)C=C(CN2CCCCC2)C1=O	ZINC000103200077	209248039	/nfs/dbraw/zinc/24/80/39/209248039.db2.gz	GHOLLDHSBBXXLS-NHCUHLMSSA-N	0	1	365.558	4.870	1	30		FJEFMN
CCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccs1	ZINC000101708946	209228789	/nfs/dbraw/zinc/22/87/89/209228789.db2.gz	ALUVTUHMZQJTQH-IBOXJLQUSA-N	0	1	360.483	4.792	1	30	aggregator	FJEFMN
CC(N=Nc1nc(-c2ccccc2O)nc2ccccc21)c1ccccc1O	ZINC000005002565	207071319	/nfs/dbraw/zinc/07/13/19/207071319.db2.gz	QRELKMGWOQXSRT-QFEZKATASA-N	0	1	370.412	4.544	1	30		FJEFMN
COc1ccc([C@H]2CC(=O)C=C(c3cccc(Cl)c3O)C2)cc1OC	ZINC000036388330	208162174	/nfs/dbraw/zinc/16/21/74/208162174.db2.gz	INVWNJRBKWRCOG-CYBMUJFWSA-N	0	1	358.821	4.593	3	30		FJEFMN
N#Cc1c[nH]c(C(=O)Nc2ccc(-c3cccnc3)cc2C2=CCCCC2)n1	ZINC000053296055	221044805	/nfs/dbraw/zinc/04/48/05/221044805.db2.gz	FHYBSQKDICXOBL-UHFFFAOYSA-N	0	1	369.428	4.553	1	30		FJEFMN
CON=C1[C@@H]2CCC[C@H]1[C@@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1	ZINC000071316980	221341374	/nfs/dbraw/zinc/34/13/74/221341374.db2.gz	LFFNEGXHCQNEAH-JVSBHGNQSA-N	0	1	356.416	4.769	1	30		FJEFMN
CC(=O)c1cccc(-c2ccc(C[C@@]3(C)SC(=O)C(C)=C3O)cc2)c1	ZINC000101118329	222261917	/nfs/dbraw/zinc/26/19/17/222261917.db2.gz	GZMOTEWMTUFEKU-OAQYLSRUSA-N	0	1	352.455	4.963	1	30		FJEFMN
Cc1cc(NN=Cc2ccc3ccccc3c2)c2cc3c(cc2n1)OCO3	ZINC000043010640	208301446	/nfs/dbraw/zinc/30/14/46/208301446.db2.gz	MRWQCJWBQNYXBX-FSJBWODESA-N	0	1	355.397	4.871	1	30		FJEFMN
CC1C[C@H]2C(=NO)[C@@H](C1)[C@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1	ZINC000058631294	221121748	/nfs/dbraw/zinc/12/17/48/221121748.db2.gz	FNQVPOMYQDDAEE-OXEMHPNWSA-N	0	1	356.416	4.843	1	30		FJEFMN
C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(N2CCOCC2)s1	ZINC000005163056	518377258	/nfs/dbraw/zinc/37/72/58/518377258.db2.gz	LKKAEMXPPQJMQQ-OQKWZONESA-N	0	1	363.486	4.757	3	30		FJEFMN
CCCCCCCCCCCCO[P@](=O)([O-])COCC[N+](C)(C)C	ZINC000043382168	717128904	/nfs/dbraw/zinc/12/89/04/717128904.db2.gz	LPPYDWDTOHJSMS-UHFFFAOYSA-O	0	1	366.503	4.790	1	30		FJEFMN
CC1C[C@H]2C(=NO)[C@@H](C1)[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1	ZINC000049035448	221018312	/nfs/dbraw/zinc/01/83/12/221018312.db2.gz	FNQVPOMYQDDAEE-HCLOSCIASA-N	0	1	356.416	4.843	1	30		FJEFMN
CON=C1[C@@H]2CCC[C@H]1[C@@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1	ZINC000071317046	221341014	/nfs/dbraw/zinc/34/10/14/221341014.db2.gz	YPZSGQLNYLDPDG-JVSBHGNQSA-N	0	1	356.416	4.769	1	30		FJEFMN
COc1ccc(-c2ccc(/C=C/C(=O)c3ccc(N)cc3O)s2)cc1	ZINC000096914967	222138862	/nfs/dbraw/zinc/13/88/62/222138862.db2.gz	QORMSXMBHJLFRA-JXMROGBWSA-N	0	1	351.427	4.608	1	30		FJEFMN
CCCCCCCCCC[C@H]1O[C@H](OC)C=C(CN2CCCCC2)C1=O	ZINC000103200081	222324395	/nfs/dbraw/zinc/32/43/95/222324395.db2.gz	GHOLLDHSBBXXLS-RTWAWAEBSA-N	0	1	365.558	4.870	1	30		FJEFMN
CC(C)CCn1ccc(-c2ccc(Nc3ccncc3)cc2)c(C#N)c1=O	ZINC000101507423	222276818	/nfs/dbraw/zinc/27/68/18/222276818.db2.gz	RWUUQGNDLSOOHD-UHFFFAOYSA-N	0	1	358.445	4.572	1	30		FJEFMN
C=CCOc1c(/C=C/C(=O)c2cccc(CC=C)c2O)cccc1OC	ZINC000103296381	209252043	/nfs/dbraw/zinc/25/20/43/209252043.db2.gz	WPQYVVMJTVYDGT-BUHFOSPRSA-N	0	1	350.414	4.590	1	30		FJEFMN
N#Cc1c[nH]c(C(=O)Nc2ccc(-c3ccncc3)cc2C2=CCCCC2)n1	ZINC000053243686	221044675	/nfs/dbraw/zinc/04/46/75/221044675.db2.gz	HGOSXKUMUKYUKG-UHFFFAOYSA-N	0	1	369.428	4.553	1	30		FJEFMN
COC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)C(C)=C3O)cc2)cc1	ZINC000101125899	222263293	/nfs/dbraw/zinc/26/32/93/222263293.db2.gz	TYYGYHXULUMPDG-NRFANRHFSA-N	0	1	368.454	4.547	1	30		FJEFMN
Cc1cc(O)c(C(C)C)cc1-c1cc(-c2cccs2)c(C#N)c(=O)[nH]1	ZINC000103285344	209251556	/nfs/dbraw/zinc/25/15/56/209251556.db2.gz	JRCSJQOZKXSHSM-UHFFFAOYSA-N	0	1	350.443	4.780	1	30		FJEFMN
C=CCc1c(C)nc(-c2ccccc2)nc1N=NC(C)c1ccc(N)cc1	ZINC000013122914	519120511	/nfs/dbraw/zinc/12/05/11/519120511.db2.gz	DFYOWQQLNMCEBM-YSMPRRRNSA-N	0	1	357.461	4.599	1	30		FJEFMN
CCCCCCCCCC[C@@H]1O[C@@H](OC)C=C(CN2CCCCC2)C1=O	ZINC000103200079	209247938	/nfs/dbraw/zinc/24/79/38/209247938.db2.gz	GHOLLDHSBBXXLS-LEWJYISDSA-N	0	1	365.558	4.870	1	30		FJEFMN