smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1cc2c3c1cccc3[C@@H]1C=C(C)CN(C)[C@@H]1C2	ZINC000001575221	567838485	/nfs/dbraw/zinc/83/84/85/567838485.db2.gz	BHVLXRUVIPEIKP-FUHWJXTLSA-N	0	3	280.415	3.951	40	10		CHCBHN
CCCN1c2cc(OC)c(CNC)cc2[C@H](C)CC1(C)C	ZINC000260725231	328055245	/nfs/dbraw/zinc/05/52/45/328055245.db2.gz	TWDAAQHXFASWKA-CYBMUJFWSA-N	0	3	290.451	3.917	40	10		CHCBHN
Cc1cc([C@@H]2CCCCCN2Cc2ccccc2O)no1	ZINC000019119440	567877383	/nfs/dbraw/zinc/87/73/83/567877383.db2.gz	KLEQCALIFNUJAN-INIZCTEOSA-N	0	3	286.375	3.806	40	10		CHCBHN
COc1ccc([C@@H]([NH3+])c2c([O-])ccc3ccccc32)cc1	ZINC000002045158	567844608	/nfs/dbraw/zinc/84/46/08/567844608.db2.gz	KYFAUUIORMILDM-GOSISDBHSA-N	0	3	279.339	3.602	40	10		CHCBHN
Cc1ccc(CNCc2ccc(N3CCCC3)cc2)cc1	ZINC000007365333	170279416	/nfs/dbraw/zinc/27/94/16/170279416.db2.gz	BLKWTUVAFBRQOB-UHFFFAOYSA-N	0	3	280.415	3.885	40	10		CHCBHN
CCN1c2cc(F)c(CNC)cc2[C@H](C)CC1(C)C	ZINC000260722312	328055057	/nfs/dbraw/zinc/05/50/57/328055057.db2.gz	NNYZIOWLYBVFRX-LLVKDONJSA-N	0	3	264.388	3.657	40	10		CHCBHN
CCCN1c2cc(OC)c(CN)cc2C(C)=CC1(C)C	ZINC000223796816	567950919	/nfs/dbraw/zinc/95/09/19/567950919.db2.gz	YFVDOMJFLDTZQQ-UHFFFAOYSA-N	0	3	274.408	3.566	40	10		CHCBHN
CNCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	ZINC000260719626	328055097	/nfs/dbraw/zinc/05/50/97/328055097.db2.gz	KPOIMWXFWPSYSS-SNVBAGLBSA-N	0	3	266.816	3.781	40	10		CHCBHN
CCNCc1cc2c(cc1F)N(C)C(C)(C)C[C@@H]2C	ZINC000223785571	567950901	/nfs/dbraw/zinc/95/09/01/567950901.db2.gz	QEVRYANANHDSPM-NSHDSACASA-N	0	3	264.388	3.657	40	10		CHCBHN
Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccccc2[O-])on1	ZINC000019120318	567877556	/nfs/dbraw/zinc/87/75/56/567877556.db2.gz	QDKBIECLUJNWON-OAHLLOKOSA-N	0	3	286.375	3.806	40	10		CHCBHN
Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccccc2[O-])on1	ZINC000019120318	567877557	/nfs/dbraw/zinc/87/75/57/567877557.db2.gz	QDKBIECLUJNWON-OAHLLOKOSA-N	0	3	286.375	3.806	40	10		CHCBHN
COc1ccc([C@H]([NH3+])c2c([O-])ccc3ccccc32)cc1	ZINC000001669807	567840692	/nfs/dbraw/zinc/84/06/92/567840692.db2.gz	KYFAUUIORMILDM-SFHVURJKSA-N	0	3	279.339	3.602	40	10		CHCBHN
CC1=CC(C)(C)N(C)c2cc(F)c(CNC(C)C)cc21	ZINC000223822525	570313421	/nfs/dbraw/zinc/31/34/21/570313421.db2.gz	PWZLWHIRLJZIGJ-UHFFFAOYSA-N	0	3	276.399	3.955	40	10		CHCBHN
O=[N+]([N-]c1nc(-c2ccccc2)no1)c1ccccc1	ZINC000005443478	170099717	/nfs/dbraw/zinc/09/97/17/170099717.db2.gz	MMZXQHLSDBIONZ-FBMGVBCBSA-N	0	3	266.260	3.662	40	10		CHCBHN
CN(C)CC1=CC(=NNc2ccccc2)C=CC1=O	ZINC000006005889	170167384	/nfs/dbraw/zinc/16/73/84/170167384.db2.gz	JYRZXXWNMUDGMD-WUKNDPDISA-N	0	3	255.321	3.869	40	10		CHCBHN
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCCN1C	ZINC000072216836	567921342	/nfs/dbraw/zinc/92/13/42/567921342.db2.gz	BKONVGXAINHJHW-INIZCTEOSA-N	0	3	269.392	3.646	40	10		CHCBHN
COc1cc2c(cc1CN)[C@@H](C)CC(C)(C)N2C(C)C	ZINC000223781740	567950802	/nfs/dbraw/zinc/95/08/02/567950802.db2.gz	GCRYYTXQIHLHHN-LBPRGKRZSA-N	0	3	276.424	3.655	40	10		CHCBHN
COc1ccc(CNCc2ccc(N3CCCC3)cc2)cc1	ZINC000007275475	261378224	/nfs/dbraw/zinc/37/82/24/261378224.db2.gz	XJONRRNWAFKIDG-UHFFFAOYSA-N	0	3	296.414	3.585	40	10		CHCBHN
CCN1c2cc(F)c(CNC)cc2[C@@H](C)CC1(C)C	ZINC000223783431	567950767	/nfs/dbraw/zinc/95/07/67/567950767.db2.gz	NNYZIOWLYBVFRX-NSHDSACASA-N	0	3	264.388	3.657	40	10		CHCBHN
Cc1cc([C@H]2CCCCCN2Cc2ccccc2O)no1	ZINC000019119443	567877633	/nfs/dbraw/zinc/87/76/33/567877633.db2.gz	KLEQCALIFNUJAN-MRXNPFEDSA-N	0	3	286.375	3.806	40	10		CHCBHN
CCCN1c2cc(OC)c(CN)cc2[C@@H](C)CC1(C)C	ZINC000223781651	567950660	/nfs/dbraw/zinc/95/06/60/567950660.db2.gz	LFUTWNNCTLFKBB-LBPRGKRZSA-N	0	3	276.424	3.656	40	10		CHCBHN
Cc1ccc(C)n1-c1ccc([C@@H]2CCCCN2C)cn1	ZINC000072216776	567921369	/nfs/dbraw/zinc/92/13/69/567921369.db2.gz	LZGVVKLIFFSAAU-INIZCTEOSA-N	0	3	269.392	3.646	40	10		CHCBHN
CCNCc1cc2c(cc1OC)N(C)C(C)(C)C[C@@H]2C	ZINC000223785981	567950937	/nfs/dbraw/zinc/95/09/37/567950937.db2.gz	NUORDUNHTXUDPR-LBPRGKRZSA-N	0	3	276.424	3.527	40	10		CHCBHN
CCNCc1cc2c(cc1OC)N(C)C(C)(C)C[C@H]2C	ZINC000260722342	328055064	/nfs/dbraw/zinc/05/50/64/328055064.db2.gz	NUORDUNHTXUDPR-GFCCVEGCSA-N	0	3	276.424	3.527	40	10		CHCBHN
CCN1c2cc(OC)c(CNC)cc2[C@H](C)CC1(C)C	ZINC000260726736	328055396	/nfs/dbraw/zinc/05/53/96/328055396.db2.gz	ZQTKLMLCQBCRTG-GFCCVEGCSA-N	0	3	276.424	3.527	40	10		CHCBHN
CN1CC=C(/C=C/c2ccc(N3CCCCC3)cc2)CC1	ZINC000004933138	567932827	/nfs/dbraw/zinc/93/28/27/567932827.db2.gz	KRHWCQQXRMQMGB-AATRIKPKSA-N	0	3	282.431	3.952	40	10		CHCBHN
CC(C)N1c2cc(F)c(CN)cc2[C@@H](C)CC1(C)C	ZINC000223781249	567950847	/nfs/dbraw/zinc/95/08/47/567950847.db2.gz	ILKFMFPLHWLVDG-NSHDSACASA-N	0	3	264.388	3.785	40	10		CHCBHN
CCCN1c2cc(OC)c(CNC)cc2[C@@H](C)CC1(C)C	ZINC000223783912	567950984	/nfs/dbraw/zinc/95/09/84/567950984.db2.gz	TWDAAQHXFASWKA-ZDUSSCGKSA-N	0	3	290.451	3.917	40	10		CHCBHN
CCCn1cc2c3c1cccc3[C@H]1C=C(C)CN(C)[C@@H]1C2	ZINC000005139236	170069904	/nfs/dbraw/zinc/06/99/04/170069904.db2.gz	BHVLXRUVIPEIKP-SJLPKXTDSA-N	0	3	280.415	3.951	40	10		CHCBHN
CCN(CC)c1ccc(CNCc2ccccc2)cc1	ZINC000006869703	170251479	/nfs/dbraw/zinc/25/14/79/170251479.db2.gz	JIYCLIRGFNOBAK-UHFFFAOYSA-N	0	3	268.404	3.823	40	10		CHCBHN
COc1cc2c(cc1CN)C(C)=CC(C)(C)N2C(C)C	ZINC000223796899	567950999	/nfs/dbraw/zinc/95/09/99/567950999.db2.gz	AJKMNMWOGMBLQI-UHFFFAOYSA-N	0	3	274.408	3.564	40	10		CHCBHN
CC(C)N1c2cc(F)c(CN)cc2[C@H](C)CC1(C)C	ZINC000260717137	328054627	/nfs/dbraw/zinc/05/46/27/328054627.db2.gz	ILKFMFPLHWLVDG-LLVKDONJSA-N	0	3	264.388	3.785	40	10		CHCBHN
CC1=CC(C)(C)N(C(C)C)c2cc(F)c(CN)cc21	ZINC000223796498	567950989	/nfs/dbraw/zinc/95/09/89/567950989.db2.gz	VCMPSQYEWQQSPB-UHFFFAOYSA-N	0	3	262.372	3.695	40	10		CHCBHN
CNCc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223783992	567950907	/nfs/dbraw/zinc/95/09/07/567950907.db2.gz	OBGPISXSEMVLSE-ZDUSSCGKSA-N	0	3	290.451	3.915	40	10		CHCBHN
CCCCN1c2cc(OC)c(CN)cc2C(C)=CC1(C)C	ZINC000223796971	136584496	/nfs/dbraw/zinc/58/44/96/136584496.db2.gz	KTEJJPNOUJBZOZ-UHFFFAOYSA-N	0	3	288.435	3.956	40	10		CHCBHN
CCN1CCC[C@H]1c1ccc(-n2c(C)ccc2C)nc1	ZINC000072216754	567921181	/nfs/dbraw/zinc/92/11/81/567921181.db2.gz	MXRHQRQTEOOCFX-INIZCTEOSA-N	0	3	269.392	3.646	40	10		CHCBHN
CCN1CCC[C@@H]1c1ccc(-n2c(C)ccc2C)nc1	ZINC000072216753	567921260	/nfs/dbraw/zinc/92/12/60/567921260.db2.gz	MXRHQRQTEOOCFX-MRXNPFEDSA-N	0	3	269.392	3.646	40	10		CHCBHN
CNCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	ZINC000223782929	567950550	/nfs/dbraw/zinc/95/05/50/567950550.db2.gz	KPOIMWXFWPSYSS-JTQLQIEISA-N	0	3	266.816	3.781	40	10		CHCBHN
CCCN1c2cc(F)c(CN)cc2[C@H](C)CC1(C)C	ZINC000260725469	328055249	/nfs/dbraw/zinc/05/52/49/328055249.db2.gz	WPMKXIBZSHCACT-LLVKDONJSA-N	0	3	264.388	3.787	40	10		CHCBHN
Cc1ccc(C)n1-c1ncccc1[C@H]1CCCCN1C	ZINC000072216837	567920940	/nfs/dbraw/zinc/92/09/40/567920940.db2.gz	BKONVGXAINHJHW-MRXNPFEDSA-N	0	3	269.392	3.646	40	10		CHCBHN
CNCc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260722366	328055161	/nfs/dbraw/zinc/05/51/61/328055161.db2.gz	OBGPISXSEMVLSE-CYBMUJFWSA-N	0	3	290.451	3.915	40	10		CHCBHN
C[NH+](C)Cc1cc(C(C)(C)c2ccccc2)ccc1[O-]	ZINC000001683260	567841473	/nfs/dbraw/zinc/84/14/73/567841473.db2.gz	VCUAKKOSVKUSHQ-UHFFFAOYSA-N	0	3	269.388	3.780	40	10		CHCBHN
COc1cc2c(cc1CNC(C)C)C(C)=CC(C)(C)N2C	ZINC000223822939	570313413	/nfs/dbraw/zinc/31/34/13/570313413.db2.gz	LIJGYLPIYWIEGN-UHFFFAOYSA-N	0	3	288.435	3.825	40	10		CHCBHN
CN(C)CC1=CC(=NNc2ccccc2)C=CC1=O	ZINC000103980572	185874703	/nfs/dbraw/zinc/87/47/03/185874703.db2.gz	JYRZXXWNMUDGMD-MSUUIHNZSA-N	0	3	255.321	3.869	40	10		CHCBHN
CCNCc1cc2c(cc1F)N(C)C(C)(C)C[C@H]2C	ZINC000260722574	328055023	/nfs/dbraw/zinc/05/50/23/328055023.db2.gz	QEVRYANANHDSPM-LLVKDONJSA-N	0	3	264.388	3.657	40	10		CHCBHN
CCCN1c2cc(OC)c(CN)cc2[C@H](C)CC1(C)C	ZINC000260719654	328054994	/nfs/dbraw/zinc/05/49/94/328054994.db2.gz	LFUTWNNCTLFKBB-GFCCVEGCSA-N	0	3	276.424	3.656	40	10		CHCBHN
COc1cc2c(cc1CN)[C@H](C)CC(C)(C)N2C(C)C	ZINC000223781798	567950575	/nfs/dbraw/zinc/95/05/75/567950575.db2.gz	GCRYYTXQIHLHHN-GFCCVEGCSA-N	0	3	276.424	3.655	40	10		CHCBHN
CCCN1c2cc(F)c(CN)cc2[C@@H](C)CC1(C)C	ZINC000223781163	567950761	/nfs/dbraw/zinc/95/07/61/567950761.db2.gz	WPMKXIBZSHCACT-NSHDSACASA-N	0	3	264.388	3.787	40	10		CHCBHN
CCN1c2cc(OC)c(CNC)cc2[C@@H](C)CC1(C)C	ZINC000223783831	567950945	/nfs/dbraw/zinc/95/09/45/567950945.db2.gz	ZQTKLMLCQBCRTG-LBPRGKRZSA-N	0	3	276.424	3.527	40	10		CHCBHN
CCNCc1cc2c(cc1OC)N(CC)C(C)(C)C[C@@H]2C	ZINC000223786064	567951032	/nfs/dbraw/zinc/95/10/32/567951032.db2.gz	FQWOISKOVSEZPN-ZDUSSCGKSA-N	0	3	290.451	3.917	40	10		CHCBHN
CCCNCc1cc2c(cc1F)N(C)C(C)(C)C=C2C	ZINC000223802458	570313376	/nfs/dbraw/zinc/31/33/76/570313376.db2.gz	GNGJDNKERSSLQK-UHFFFAOYSA-N	0	3	276.399	3.957	40	10		CHCBHN
CCCN1c2cc(F)c(CN)cc2C(C)=CC1(C)C	ZINC000223796417	136584551	/nfs/dbraw/zinc/58/45/51/136584551.db2.gz	AQHACXDCSPYPMV-UHFFFAOYSA-N	0	3	262.372	3.696	40	10		CHCBHN
CCNCc1cc2c(cc1OC)N(CC)C(C)(C)C[C@H]2C	ZINC000260716786	328054664	/nfs/dbraw/zinc/05/46/64/328054664.db2.gz	FQWOISKOVSEZPN-CYBMUJFWSA-N	0	3	290.451	3.917	40	10		CHCBHN
Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccccc2[O-])on1	ZINC000019120315	567877312	/nfs/dbraw/zinc/87/73/12/567877312.db2.gz	QDKBIECLUJNWON-HNNXBMFYSA-N	0	3	286.375	3.806	40	10		CHCBHN
Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccccc2[O-])on1	ZINC000019120315	567877313	/nfs/dbraw/zinc/87/73/13/567877313.db2.gz	QDKBIECLUJNWON-HNNXBMFYSA-N	0	3	286.375	3.806	40	10		CHCBHN
Cc1ccc(C)n1-c1ccc([C@H]2CCCCN2C)cn1	ZINC000072216777	567921057	/nfs/dbraw/zinc/92/10/57/567921057.db2.gz	LZGVVKLIFFSAAU-MRXNPFEDSA-N	0	3	269.392	3.646	40	10		CHCBHN