smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(C)Cc2cc3ccccc3c(Cl)c2C1	ZINC000000186996	177487743	/nfs/dbraw/zinc/48/77/43/177487743.db2.gz	OBFWWTVHVZZDTQ-UHFFFAOYSA-N	1	0	232.734	3.583	50	5		BHBARO
CCOc1ccc2c(c1)[N+](C)(C)C(C)(C)C=C2C	ZINC000000193908	342679626	/nfs/dbraw/zinc/67/96/26/342679626.db2.gz	ZKLDPBUXCZXVJA-UHFFFAOYSA-N	1	0	246.374	3.848	50	5		BHBARO
C[N+]1(C)Cc2cc3cccc(Cl)c3cc2C1	ZINC000000346423	398333572	/nfs/dbraw/zinc/33/35/72/398333572.db2.gz	AZELCKJSGMGRKQ-UHFFFAOYSA-N	1	0	232.734	3.583	50	5		BHBARO
Cc1c2c(cc3ccc(Cl)cc13)C[N+](C)(C)C2	ZINC000000494593	346877715	/nfs/dbraw/zinc/87/77/15/346877715.db2.gz	IVPIVODFEHBTTC-UHFFFAOYSA-N	1	0	246.761	3.892	50	5		BHBARO
c1ccc2cc3c(cc2c1)C[N+]1(C3)CCCCC1	ZINC000001250216	386100429	/nfs/dbraw/zinc/10/04/29/386100429.db2.gz	ICJVKLVVFJNSLM-UHFFFAOYSA-N	1	0	238.354	3.854	50	5		BHBARO
CC1=C[C@H](C)[C@@H](C[N+]2(C)CCCCC2)[C@H](C)C1	ZINC000001254964	168130826	/nfs/dbraw/zinc/13/08/26/168130826.db2.gz	AVQDCQVAUHGUCI-ARFHVFGLSA-N	1	0	236.423	3.855	50	5		BHBARO
C[C@H]1CC(C)(C)[N+](C)(C)c2ccccc21	ZINC000001304993	386354957	/nfs/dbraw/zinc/35/49/57/386354957.db2.gz	CFTQIMCGSIUNOW-NSHDSACASA-N	1	0	204.337	3.539	50	5		BHBARO
C[C@@H]1CC(C)(C)[N+](C)(C)c2ccccc21	ZINC000001304994	386354737	/nfs/dbraw/zinc/35/47/37/386354737.db2.gz	CFTQIMCGSIUNOW-LLVKDONJSA-N	1	0	204.337	3.539	50	5		BHBARO
CC[N+]1(CC)Cc2cc3ccccc3cc2C1	ZINC000001308611	346028880	/nfs/dbraw/zinc/02/88/80/346028880.db2.gz	PMUZJWBDJCWXOM-UHFFFAOYSA-N	1	0	226.343	3.710	50	5		BHBARO
Cc1ccc2c(c1)C(C)=CC(C)(C)[N+]2(C)C	ZINC000001321568	168093333	/nfs/dbraw/zinc/09/33/33/168093333.db2.gz	ZIXMDVZYJGLMFN-UHFFFAOYSA-N	1	0	216.348	3.757	50	5		BHBARO
CC(C)=CCC[C@H](C)[N+]1(C)CCCCC1	ZINC000001323048	187299274	/nfs/dbraw/zinc/29/92/74/187299274.db2.gz	PVERYEVKZXSMFS-AWEZNQCLSA-N	1	0	210.385	3.752	50	5		BHBARO
CC(C)=CCC[C@@H](C)[N+]1(C)CCCCC1	ZINC000001323049	353138999	/nfs/dbraw/zinc/13/89/99/353138999.db2.gz	PVERYEVKZXSMFS-CQSZACIVSA-N	1	0	210.385	3.752	50	5		BHBARO
C[N+](C)(C)C1(c2ccccc2)CCCCC1	ZINC000001627137	388830192	/nfs/dbraw/zinc/83/01/92/388830192.db2.gz	ICFVFAICDHWELA-UHFFFAOYSA-N	1	0	218.364	3.552	50	5		BHBARO
CCCC[N+](C)(CCCC)CCCC	ZINC000001722767	169016836	/nfs/dbraw/zinc/01/68/36/169016836.db2.gz	HJHUXWBTVVFLQI-UHFFFAOYSA-N	1	0	200.390	3.833	50	5		BHBARO
CCCC[N+]12CCC(CC1(C)C)CC2(C)C	ZINC000001761380	169016151	/nfs/dbraw/zinc/01/61/51/169016151.db2.gz	OWLXEHXWZSCHRL-UHFFFAOYSA-N	1	0	224.412	3.974	50	5		BHBARO
C[NH2+]Cc1c2ccccc2cc2ccccc21	ZINC000002539283	173384858	/nfs/dbraw/zinc/38/48/58/173384858.db2.gz	WRVHTDZJMNUGQN-UHFFFAOYSA-N	1	0	221.303	3.712	50	5		BHBARO
CCCC[N+]1(Cc2ccccc2)CCCCC1	ZINC000003159687	169016362	/nfs/dbraw/zinc/01/63/62/169016362.db2.gz	IGIDZTJXUZBDIV-UHFFFAOYSA-N	1	0	232.391	3.987	50	5		BHBARO
C[N+](C)(C)CCCCCc1c[nH]c2ccccc12	ZINC000004320821	384056595	/nfs/dbraw/zinc/05/65/95/384056595.db2.gz	ADGYBMJRLIMHTA-UHFFFAOYSA-N	1	0	245.390	3.587	50	5		BHBARO
CC1=C[C@H](C)[C@H](C[N+]2(C)CCCCC2)[C@H](C)C1	ZINC000004729210	168132044	/nfs/dbraw/zinc/13/20/44/168132044.db2.gz	AVQDCQVAUHGUCI-XHSDSOJGSA-N	1	0	236.423	3.855	50	5		BHBARO
CC1=C[C@H](C)[C@H](C[N+]2(C)CCCCC2)[C@@H](C)C1	ZINC000004729212	168131602	/nfs/dbraw/zinc/13/16/02/168131602.db2.gz	AVQDCQVAUHGUCI-JYJNAYRXSA-N	1	0	236.423	3.855	50	5		BHBARO
C[N+]1(Cc2cc3ccccc3o2)CCCCC1	ZINC000004822585	384717495	/nfs/dbraw/zinc/71/74/95/384717495.db2.gz	OXHJDFPKMVGOHA-UHFFFAOYSA-N	1	0	230.331	3.563	50	5		BHBARO
CCC/C=C(\CC)C[N+]1(C)CCCCC1	ZINC000005455071	190975345	/nfs/dbraw/zinc/97/53/45/190975345.db2.gz	CGWATWLQLVJDPI-GXDHUFHOSA-N	1	0	210.385	3.753	50	5		BHBARO
CCC/C=C(/CC)C[N+]1(C)CCCCC1	ZINC000006634730	168426752	/nfs/dbraw/zinc/42/67/52/168426752.db2.gz	CGWATWLQLVJDPI-UVTDQMKNSA-N	1	0	210.385	3.753	50	5		BHBARO
CCC[n+]1c2ccccc2cc2ccccc21	ZINC000007159396	361391743	/nfs/dbraw/zinc/39/17/43/361391743.db2.gz	GFDUWFOYJIWVMV-UHFFFAOYSA-N	1	0	222.311	3.691	50	5		BHBARO
C[N+](C)(Cc1ccccc1F)c1ccccc1	ZINC000030836077	385027667	/nfs/dbraw/zinc/02/76/67/385027667.db2.gz	OKRQAXIMQKOYFG-UHFFFAOYSA-N	1	0	230.306	3.593	50	5		BHBARO
C[N+](C)(C1CCCCC1)C1CCCCC1	ZINC000034087415	711949617	/nfs/dbraw/zinc/94/96/17/711949617.db2.gz	JGDVCOZMFQSAKF-UHFFFAOYSA-N	1	0	210.385	3.728	50	5		BHBARO
CCCCCC[N+](C)(C)Cc1ccccc1	ZINC000071769560	168680577	/nfs/dbraw/zinc/68/05/77/168680577.db2.gz	OCRHPUCRAFNCMN-UHFFFAOYSA-N	1	0	220.380	3.843	50	5		BHBARO
CC[C@@H]1CCC[C@H]2CCCC[C@H]1[N+]2(C)C	ZINC000101042666	368403618	/nfs/dbraw/zinc/40/36/18/368403618.db2.gz	OCAVUXHIHJFFPZ-MGPQQGTHSA-N	1	0	210.385	3.584	50	5		BHBARO
CC[C@H]1CCC[C@H]2CCCC[C@H]1[N+]2(C)C	ZINC000101042667	368403625	/nfs/dbraw/zinc/40/36/25/368403625.db2.gz	OCAVUXHIHJFFPZ-BFHYXJOUSA-N	1	0	210.385	3.584	50	5		BHBARO
CCCC[N+]1(CCCC)CCCCCC1	ZINC000114398158	642952103	/nfs/dbraw/zinc/95/21/03/642952103.db2.gz	QNSDJERNKNPEMV-UHFFFAOYSA-N	1	0	212.401	3.977	50	5		BHBARO
CC1=C[C@H](C)[C@@H](C[N+]2(C)CCCCC2)[C@@H](C)C1	ZINC000169313096	168130804	/nfs/dbraw/zinc/13/08/04/168130804.db2.gz	AVQDCQVAUHGUCI-HRCADAONSA-N	1	0	236.423	3.855	50	5		BHBARO
C[C@@H]1CC[C@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000245231912	524714678	/nfs/dbraw/zinc/71/46/78/524714678.db2.gz	MYPNHOGWHLJRIM-DAXOMENPSA-N	1	0	220.380	3.506	50	5		BHBARO
C[C@@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000245231913	524624253	/nfs/dbraw/zinc/62/42/53/524624253.db2.gz	MYPNHOGWHLJRIM-KCXAZCMYSA-N	1	0	220.380	3.506	50	5		BHBARO
C[C@@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000245231914	524623708	/nfs/dbraw/zinc/62/37/08/524623708.db2.gz	MYPNHOGWHLJRIM-UHOFOFEASA-N	1	0	220.380	3.506	50	5		BHBARO
C[C@@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000245231915	524715354	/nfs/dbraw/zinc/71/53/54/524715354.db2.gz	MYPNHOGWHLJRIM-WQVCFCJDSA-N	1	0	220.380	3.506	50	5		BHBARO
CC[C@@H]1C[C@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000245232595	523588248	/nfs/dbraw/zinc/58/82/48/523588248.db2.gz	YOCUVURHTLTTOB-DAXOMENPSA-N	1	0	220.380	3.506	50	5		BHBARO
CC[C@@H]1C[C@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000245232598	523587521	/nfs/dbraw/zinc/58/75/21/523587521.db2.gz	YOCUVURHTLTTOB-WQVCFCJDSA-N	1	0	220.380	3.506	50	5		BHBARO
C[C@@H]1C[C@]2(C)C3=C(CCCC3)CC[N@+]2(C)C1	ZINC000245232633	525513056	/nfs/dbraw/zinc/51/30/56/525513056.db2.gz	YVAWUUIIEPCDHH-DAXOMENPSA-N	1	0	220.380	3.506	50	5		BHBARO
C[C@@H]1C[C@@]2(C)C3=C(CCCC3)CC[N@@+]2(C)C1	ZINC000245232634	525357193	/nfs/dbraw/zinc/35/71/93/525357193.db2.gz	YVAWUUIIEPCDHH-KCXAZCMYSA-N	1	0	220.380	3.506	50	5		BHBARO
C[C@@H]1C[C@@]2(C)C3=C(CCCC3)CC[N@+]2(C)C1	ZINC000245232635	525357544	/nfs/dbraw/zinc/35/75/44/525357544.db2.gz	YVAWUUIIEPCDHH-UHOFOFEASA-N	1	0	220.380	3.506	50	5		BHBARO
C[C@@H]1C[C@]2(C)C3=C(CCCC3)CC[N@@+]2(C)C1	ZINC000245232636	525512878	/nfs/dbraw/zinc/51/28/78/525512878.db2.gz	YVAWUUIIEPCDHH-WQVCFCJDSA-N	1	0	220.380	3.506	50	5		BHBARO
CCC[C@@H]1C[C@@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000247642626	520873141	/nfs/dbraw/zinc/87/31/41/520873141.db2.gz	ILSMOHRTOLDAKG-COXVUDFISA-N	1	0	234.407	3.896	50	5		BHBARO
CCC[C@@H]1C[C@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000247642629	520894644	/nfs/dbraw/zinc/89/46/44/520894644.db2.gz	ILSMOHRTOLDAKG-KBRIMQKVSA-N	1	0	234.407	3.896	50	5		BHBARO
CCC[C@@H]1C[C@@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000247642632	520873740	/nfs/dbraw/zinc/87/37/40/520873740.db2.gz	ILSMOHRTOLDAKG-XOKHGSTOSA-N	1	0	234.407	3.896	50	5		BHBARO
CCC[C@@H]1C[C@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000247642635	520893244	/nfs/dbraw/zinc/89/32/44/520893244.db2.gz	ILSMOHRTOLDAKG-XYPHTWIQSA-N	1	0	234.407	3.896	50	5		BHBARO
CC[C@@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000247692625	523356134	/nfs/dbraw/zinc/35/61/34/523356134.db2.gz	XEIRLELZFSWURC-COXVUDFISA-N	1	0	234.407	3.896	50	5		BHBARO
CC[C@@H]1CC[C@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000247692628	523370885	/nfs/dbraw/zinc/37/08/85/523370885.db2.gz	XEIRLELZFSWURC-KBRIMQKVSA-N	1	0	234.407	3.896	50	5		BHBARO
CC[C@@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000247692631	523356096	/nfs/dbraw/zinc/35/60/96/523356096.db2.gz	XEIRLELZFSWURC-XOKHGSTOSA-N	1	0	234.407	3.896	50	5		BHBARO
CC[C@@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000247692634	523370741	/nfs/dbraw/zinc/37/07/41/523370741.db2.gz	XEIRLELZFSWURC-XYPHTWIQSA-N	1	0	234.407	3.896	50	5		BHBARO
CCC[C@H]1C[C@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000252460832	521252129	/nfs/dbraw/zinc/25/21/29/521252129.db2.gz	ILSMOHRTOLDAKG-IAOVAPTHSA-N	1	0	234.407	3.896	50	5		BHBARO
CCC[C@H]1C[C@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000252460833	521252381	/nfs/dbraw/zinc/25/23/81/521252381.db2.gz	ILSMOHRTOLDAKG-XKQJLSEDSA-N	1	0	234.407	3.896	50	5		BHBARO
C[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000252461600	524428355	/nfs/dbraw/zinc/42/83/55/524428355.db2.gz	MYPNHOGWHLJRIM-APHBMKBZSA-N	1	0	220.380	3.506	50	5		BHBARO
C[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000252461601	524427125	/nfs/dbraw/zinc/42/71/25/524427125.db2.gz	MYPNHOGWHLJRIM-MAZHCROVSA-N	1	0	220.380	3.506	50	5		BHBARO
CC[C@H]1C[C@]2(C)C3=C(CCCC3)CC[N@+]2(C)C1	ZINC000252462685	523407854	/nfs/dbraw/zinc/40/78/54/523407854.db2.gz	VIWFGNRJHKAKFA-IAOVAPTHSA-N	1	0	234.407	3.896	50	5		BHBARO
CC[C@@H]1C[C@]2(C)C3=C(CCCC3)CC[N@+]2(C)C1	ZINC000252462686	523588392	/nfs/dbraw/zinc/58/83/92/523588392.db2.gz	VIWFGNRJHKAKFA-KBRIMQKVSA-N	1	0	234.407	3.896	50	5		BHBARO
CC[C@H]1C[C@]2(C)C3=C(CCCC3)CC[N@@+]2(C)C1	ZINC000252462687	523406619	/nfs/dbraw/zinc/40/66/19/523406619.db2.gz	VIWFGNRJHKAKFA-XKQJLSEDSA-N	1	0	234.407	3.896	50	5		BHBARO
CC[C@@H]1C[C@]2(C)C3=C(CCCC3)CC[N@@+]2(C)C1	ZINC000252462688	523588559	/nfs/dbraw/zinc/58/85/59/523588559.db2.gz	VIWFGNRJHKAKFA-XYPHTWIQSA-N	1	0	234.407	3.896	50	5		BHBARO
CC[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000252462897	523206368	/nfs/dbraw/zinc/20/63/68/523206368.db2.gz	XEIRLELZFSWURC-IAOVAPTHSA-N	1	0	234.407	3.896	50	5		BHBARO
CC[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000252462898	523205331	/nfs/dbraw/zinc/20/53/31/523205331.db2.gz	XEIRLELZFSWURC-XKQJLSEDSA-N	1	0	234.407	3.896	50	5		BHBARO
CC[C@H]1C[C@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000252463062	523406164	/nfs/dbraw/zinc/40/61/64/523406164.db2.gz	YOCUVURHTLTTOB-APHBMKBZSA-N	1	0	220.380	3.506	50	5		BHBARO
CC[C@H]1C[C@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000252463063	523406972	/nfs/dbraw/zinc/40/69/72/523406972.db2.gz	YOCUVURHTLTTOB-MAZHCROVSA-N	1	0	220.380	3.506	50	5		BHBARO
C[C@H]1C[C@]2(C)C3=C(CCCC3)CC[N@+]2(C)C1	ZINC000252463092	524974716	/nfs/dbraw/zinc/97/47/16/524974716.db2.gz	YVAWUUIIEPCDHH-APHBMKBZSA-N	1	0	220.380	3.506	50	5		BHBARO
C[C@H]1C[C@]2(C)C3=C(CCCC3)CC[N@@+]2(C)C1	ZINC000252463093	524975032	/nfs/dbraw/zinc/97/50/32/524975032.db2.gz	YVAWUUIIEPCDHH-MAZHCROVSA-N	1	0	220.380	3.506	50	5		BHBARO