smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)cc(N2CCC(N[C@H](C)c3cnn(C(C)C)c3)CC2)c1	ZINC000160992310	567848473	/nfs/dbraw/zinc/84/84/73/567848473.db2.gz	WMRVBVRBFLFZGT-MRXNPFEDSA-N	0	3	372.513	3.801	20	70		FHIDHN
CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccn(CCN(C)C)n2)o1	ZINC000161093305	567865440	/nfs/dbraw/zinc/86/54/40/567865440.db2.gz	LBTZRIPVKZALNS-NVXWUHKLSA-N	0	3	373.501	3.605	20	70		FHIDHN
C[C@@H](N[C@@H](C)C(=O)Nc1cccnc1Cl)c1ccccc1-n1cccn1	ZINC000160876349	567825844	/nfs/dbraw/zinc/82/58/44/567825844.db2.gz	PSLNBYVGVKQTJW-KGLIPLIRSA-N	0	3	369.856	3.599	20	70		FHIDHN
COc1ccc(NC(=O)N(C)CC2CCN(c3ccncc3)CC2)c(C)c1	ZINC000160993166	567848594	/nfs/dbraw/zinc/84/85/94/567848594.db2.gz	CVCLDYLBGPOKDJ-UHFFFAOYSA-N	0	3	368.481	3.779	20	70		FHIDHN
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccn(CCN(C)C)n2)o1	ZINC000161093525	567865387	/nfs/dbraw/zinc/86/53/87/567865387.db2.gz	LBTZRIPVKZALNS-DOTOQJQBSA-N	0	3	373.501	3.605	20	70		FHIDHN
COc1cc(OC)cc(N2CCC(N[C@@H](C)c3cncc(F)c3)CC2)c1	ZINC000160987581	567847412	/nfs/dbraw/zinc/84/74/12/567847412.db2.gz	VMLAKSAWUWZMLF-AWEZNQCLSA-N	0	3	359.445	3.558	20	70		FHIDHN
CN(C)Cc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1	ZINC000160907114	567832290	/nfs/dbraw/zinc/83/22/90/567832290.db2.gz	VFEZHBBKDVXMPI-UHFFFAOYSA-N	0	3	362.477	3.644	20	70		FHIDHN
c1ncn(-c2ccc(CN3CCC(c4nc5ccccc5o4)CC3)cc2)n1	ZINC000161065577	567868125	/nfs/dbraw/zinc/86/81/25/567868125.db2.gz	ISJQFDHSNOACIR-UHFFFAOYSA-N	0	3	359.433	3.788	20	70		FHIDHN
Cc1cc2c(cc1C)[C@@H](NCc1ccccc1CS(C)(=O)=O)CCCO2	ZINC000160944135	567838617	/nfs/dbraw/zinc/83/86/17/567838617.db2.gz	AQACIFQBNULTBK-FQEVSTJZSA-N	0	3	373.518	3.852	20	70		FHIDHN
COc1cc(OC)cc(N2CCC(N[C@H](C)c3cncc(F)c3)CC2)c1	ZINC000160987644	567847445	/nfs/dbraw/zinc/84/74/45/567847445.db2.gz	VMLAKSAWUWZMLF-CQSZACIVSA-N	0	3	359.445	3.558	20	70		FHIDHN
CCN(C(=O)NC[C@@H](C)c1nccs1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000161244542	567897608	/nfs/dbraw/zinc/89/76/08/567897608.db2.gz	WNIZHTKOIMKWNU-AEFFLSMTSA-N	0	3	372.538	3.553	20	70		FHIDHN
COCCC1(CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CCC1	ZINC000160881539	567826806	/nfs/dbraw/zinc/82/68/06/567826806.db2.gz	MVZYTPQCZZWMHQ-GOSISDBHSA-N	0	3	373.541	3.718	20	70		FHIDHN
CN(C)CCn1cc(NC(=O)Nc2ccc(Cl)cc2-n2cccc2)cn1	ZINC000159445545	568484551	/nfs/dbraw/zinc/48/45/51/568484551.db2.gz	ZXLWVRDVRCKHJB-UHFFFAOYSA-N	0	3	372.860	3.533	20	70		FHIDHN
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccn(CCN(C)C)n2)o1	ZINC000161093400	567865422	/nfs/dbraw/zinc/86/54/22/567865422.db2.gz	LBTZRIPVKZALNS-RDJZCZTQSA-N	0	3	373.501	3.605	20	70		FHIDHN
CCN(C(=O)NC[C@@H](C)c1nccs1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000161244416	567897648	/nfs/dbraw/zinc/89/76/48/567897648.db2.gz	WNIZHTKOIMKWNU-SJLPKXTDSA-N	0	3	372.538	3.553	20	70		FHIDHN
C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1cccnc1Cl	ZINC000160876470	567825826	/nfs/dbraw/zinc/82/58/26/567825826.db2.gz	PSLNBYVGVKQTJW-UONOGXRCSA-N	0	3	369.856	3.599	20	70		FHIDHN
COCCC1(CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CCC1	ZINC000160881408	567826873	/nfs/dbraw/zinc/82/68/73/567826873.db2.gz	MVZYTPQCZZWMHQ-SFHVURJKSA-N	0	3	373.541	3.718	20	70		FHIDHN
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccn(CCN(C)C)n2)o1	ZINC000161093172	567865270	/nfs/dbraw/zinc/86/52/70/567865270.db2.gz	LBTZRIPVKZALNS-WBVHZDCISA-N	0	3	373.501	3.605	20	70		FHIDHN
C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(=O)Nc1cccnc1Cl	ZINC000160876606	567825820	/nfs/dbraw/zinc/82/58/20/567825820.db2.gz	PSLNBYVGVKQTJW-ZIAGYGMSSA-N	0	3	369.856	3.599	20	70		FHIDHN
COc1cc(OC)cc(N2CCC(N[C@@H](C)c3cnn(C(C)C)c3)CC2)c1	ZINC000160992440	567848516	/nfs/dbraw/zinc/84/85/16/567848516.db2.gz	WMRVBVRBFLFZGT-INIZCTEOSA-N	0	3	372.513	3.801	20	70		FHIDHN
COC(=O)c1cc(CN(C)CCCC(=O)Nc2c(C)cccc2C)oc1C	ZINC000159405230	568260871	/nfs/dbraw/zinc/26/08/71/568260871.db2.gz	FSPUQCFVXKFSQB-UHFFFAOYSA-N	0	3	372.465	3.842	20	70		FHIDHN
C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1cccnc1Cl	ZINC000160876221	567825887	/nfs/dbraw/zinc/82/58/87/567825887.db2.gz	PSLNBYVGVKQTJW-KBPBESRZSA-N	0	3	369.856	3.599	20	70		FHIDHN
Cc1cc2c(cc1C)[C@H](NCc1ccccc1CS(C)(=O)=O)CCCO2	ZINC000160944272	567838550	/nfs/dbraw/zinc/83/85/50/567838550.db2.gz	AQACIFQBNULTBK-HXUWFJFHSA-N	0	3	373.518	3.852	20	70		FHIDHN
c1[nH]nc(-c2cccnc2)c1CN1CCC(c2nc3ccccc3o2)CC1	ZINC000161064954	567868021	/nfs/dbraw/zinc/86/80/21/567868021.db2.gz	XGINEIRVIAPKFK-UHFFFAOYSA-N	0	3	359.433	3.993	20	70		FHIDHN