smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)NCCC(=O)N1CCNCC1	ZINC000159376324	322965886	/nfs/dbraw/zinc/96/58/86/322965886.db2.gz	FJLCTPMDHSGBIR-UHFFFAOYSA-N	0	1	215.253	-0.836	20	70		BBIDMN
COC(=O)N(C)CCCC(=O)N1CCNCC1	ZINC000159389832	322966028	/nfs/dbraw/zinc/96/60/28/322966028.db2.gz	YUQRUWBBBUCOOJ-UHFFFAOYSA-N	0	1	243.307	-0.103	20	70		BBIDMN
COC(=O)N[C@H](C(=O)N1CCNCC1)C(C)C	ZINC000159421873	384128426	/nfs/dbraw/zinc/12/84/26/384128426.db2.gz	SCXXNMIPBHPBRP-VIFPVBQESA-N	0	1	243.307	-0.201	20	70		BBIDMN
Cn1nccc1/C=C/C(=O)N1CCNCC1	ZINC000159431408	384331263	/nfs/dbraw/zinc/33/12/63/384331263.db2.gz	PTWOFCAVZOPMJM-NSCUHMNNSA-N	0	1	220.276	-0.135	20	70		BBIDMN
O=C(NC1CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000159446068	350228025	/nfs/dbraw/zinc/22/80/25/350228025.db2.gz	KIAOABPBFAKISH-AOOOYVTPSA-N	0	1	237.303	-0.382	20	70		BBIDMN
CNC(=O)NC(=O)CN(C)C[C@@H]1CCC[C@@H]1O	ZINC000159456818	386225566	/nfs/dbraw/zinc/22/55/66/386225566.db2.gz	NNNYOARNHWBIHD-IUCAKERBSA-N	0	1	243.307	-0.465	20	70		BBIDMN
CNC(=O)NC(=O)CN(C)C[C@H]1CCC[C@@H]1O	ZINC000159456972	397947733	/nfs/dbraw/zinc/94/77/33/397947733.db2.gz	NNNYOARNHWBIHD-BDAKNGLRSA-N	0	1	243.307	-0.465	20	70		BBIDMN
C[C@H](O)CN(C)[C@@H](C)C(=O)NC[C@@H]1CCCO1	ZINC000159497954	345438543	/nfs/dbraw/zinc/43/85/43/345438543.db2.gz	SYMYFJSQRZEJQB-DCAQKATOSA-N	0	1	244.335	-0.017	20	70		BBIDMN
C[C@@H](O)CN(C)[C@@H](C)C(=O)NC[C@@H]1CCCO1	ZINC000159498088	384491783	/nfs/dbraw/zinc/49/17/83/384491783.db2.gz	SYMYFJSQRZEJQB-VWYCJHECSA-N	0	1	244.335	-0.017	20	70		BBIDMN
CC(C)NC(=O)NC(=O)[C@@H](C)N(C)C[C@@H](C)O	ZINC000159526797	345441514	/nfs/dbraw/zinc/44/15/14/345441514.db2.gz	PEWNJRWHXZKPPD-RKDXNWHRSA-N	0	1	245.323	-0.078	20	70		BBIDMN
CC(C)NC(=O)NC(=O)[C@H](C)N(C)C[C@@H](C)O	ZINC000159526941	345441580	/nfs/dbraw/zinc/44/15/80/345441580.db2.gz	PEWNJRWHXZKPPD-BDAKNGLRSA-N	0	1	245.323	-0.078	20	70		BBIDMN
CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000159579220	411306675	/nfs/dbraw/zinc/30/66/75/411306675.db2.gz	YWILYHGGZCXSHD-INTQDDNPSA-N	0	1	239.319	-0.136	20	70		BBIDMN
CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000159579329	384341683	/nfs/dbraw/zinc/34/16/83/384341683.db2.gz	YWILYHGGZCXSHD-IEBDPFPHSA-N	0	1	239.319	-0.136	20	70		BBIDMN
OCC(CO)NCc1cc(O)cc(F)c1	ZINC000159605735	183033463	/nfs/dbraw/zinc/03/34/63/183033463.db2.gz	XXOVUPLFWCCIJM-UHFFFAOYSA-N	0	1	215.224	-0.026	20	70		BBIDMN
OC[C@@H](O)CNCc1cc(O)cc(F)c1	ZINC000159607074	183111239	/nfs/dbraw/zinc/11/12/39/183111239.db2.gz	ZCUSOMQHXRCUJM-JTQLQIEISA-N	0	1	215.224	-0.026	20	70		BBIDMN
OC[C@H](O)CNCc1cc(O)cc(F)c1	ZINC000159607198	183142830	/nfs/dbraw/zinc/14/28/30/183142830.db2.gz	ZCUSOMQHXRCUJM-SNVBAGLBSA-N	0	1	215.224	-0.026	20	70		BBIDMN
O=C(NCCn1ccnn1)C(F)(F)F	ZINC000159674639	350962844	/nfs/dbraw/zinc/96/28/44/350962844.db2.gz	KLBBQSKXUZSUFH-UHFFFAOYSA-N	0	1	208.143	-0.043	20	70		BBIDMN
CN(CC(=O)NC(N)=O)C[C@@H]1CCC[C@@H]1O	ZINC000159697663	385715070	/nfs/dbraw/zinc/71/50/70/385715070.db2.gz	AVPOSFIZXSOIMB-YUMQZZPRSA-N	0	1	229.280	-0.726	20	70		BBIDMN
CN(CC(=O)NC(N)=O)C[C@H]1CCC[C@@H]1O	ZINC000159697796	385714182	/nfs/dbraw/zinc/71/41/82/385714182.db2.gz	AVPOSFIZXSOIMB-SFYZADRCSA-N	0	1	229.280	-0.726	20	70		BBIDMN
CC(C)CN(CC(N)=O)C(=O)c1ccn[nH]1	ZINC000159723326	323045423	/nfs/dbraw/zinc/04/54/23/323045423.db2.gz	QELNIEUCGASWSW-UHFFFAOYSA-N	0	1	224.264	-0.007	20	70		BBIDMN
CCOCCCN1CCO[C@H](C(N)=O)C1	ZINC000159901772	345624129	/nfs/dbraw/zinc/62/41/29/345624129.db2.gz	RPJGGAULCRJWEQ-VIFPVBQESA-N	0	1	216.281	-0.401	20	70		BBIDMN
CCOCCCN1CCO[C@@H](C(N)=O)C1	ZINC000159901899	345624954	/nfs/dbraw/zinc/62/49/54/345624954.db2.gz	RPJGGAULCRJWEQ-SECBINFHSA-N	0	1	216.281	-0.401	20	70		BBIDMN
COC[C@@H](N)C(=O)N(C)CCSC	ZINC000160003141	343203110	/nfs/dbraw/zinc/20/31/10/343203110.db2.gz	GUMWWSFOVOADGJ-SSDOTTSWSA-N	0	1	206.311	-0.219	20	70		BBIDMN
COC[C@H](N)C(=O)N(C)CCSC	ZINC000160003264	343202782	/nfs/dbraw/zinc/20/27/82/343202782.db2.gz	GUMWWSFOVOADGJ-ZETCQYMHSA-N	0	1	206.311	-0.219	20	70		BBIDMN
CC[C@@H](C(=O)N[C@@H](C)C(N)=O)N(C)C	ZINC000160181293	387063331	/nfs/dbraw/zinc/06/33/31/387063331.db2.gz	DDORIQQOEYNLGQ-BQBZGAKWSA-N	0	1	201.270	-0.683	20	70		BBIDMN
CC[C@H](C(=O)N[C@@H](C)C(N)=O)N(C)C	ZINC000160181428	171231615	/nfs/dbraw/zinc/23/16/15/171231615.db2.gz	DDORIQQOEYNLGQ-NKWVEPMBSA-N	0	1	201.270	-0.683	20	70		BBIDMN
CC[C@@H](C(=O)N[C@H](C)C(N)=O)N(C)C	ZINC000160181544	323062727	/nfs/dbraw/zinc/06/27/27/323062727.db2.gz	DDORIQQOEYNLGQ-RQJHMYQMSA-N	0	1	201.270	-0.683	20	70		BBIDMN
CC[C@H](C(=O)N[C@H](C)C(N)=O)N(C)C	ZINC000160181684	323062947	/nfs/dbraw/zinc/06/29/47/323062947.db2.gz	DDORIQQOEYNLGQ-RNFRBKRXSA-N	0	1	201.270	-0.683	20	70		BBIDMN
C[C@H](NC(N)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160366582	384405005	/nfs/dbraw/zinc/40/50/05/384405005.db2.gz	OAGOSYDRCDYHLJ-XHNCKOQMSA-N	0	1	240.307	-0.604	20	70		BBIDMN
C[C@@H](NC(N)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160366686	387083028	/nfs/dbraw/zinc/08/30/28/387083028.db2.gz	OAGOSYDRCDYHLJ-HLTSFMKQSA-N	0	1	240.307	-0.604	20	70		BBIDMN
CC[C@](C)(O)CN(C)CC(=O)N1CCOCC1	ZINC000160482550	387097578	/nfs/dbraw/zinc/09/75/78/387097578.db2.gz	IMIGODFMFRZXES-LBPRGKRZSA-N	0	1	244.335	-0.062	20	70		BBIDMN
CC[C@@](C)(O)CN(C)CC(=O)N1CCOCC1	ZINC000160482678	171177773	/nfs/dbraw/zinc/17/77/73/171177773.db2.gz	IMIGODFMFRZXES-GFCCVEGCSA-N	0	1	244.335	-0.062	20	70		BBIDMN
CO[C@@H](C)C(=O)NCCCc1nc[nH]n1	ZINC000160646153	323074401	/nfs/dbraw/zinc/07/44/01/323074401.db2.gz	UCMUBOLFAVADSA-ZETCQYMHSA-N	0	1	212.253	-0.112	20	70		BBIDMN
CO[C@H](C)C(=O)NCCCc1nc[nH]n1	ZINC000160646262	323074387	/nfs/dbraw/zinc/07/43/87/323074387.db2.gz	UCMUBOLFAVADSA-SSDOTTSWSA-N	0	1	212.253	-0.112	20	70		BBIDMN
O=C([C@H]1CCC(=O)N1)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160658019	349283434	/nfs/dbraw/zinc/28/34/34/349283434.db2.gz	FFQOFVOIGBKUSN-KXUCPTDWSA-N	0	1	237.303	-0.382	20	70		BBIDMN
CCN1CCN(Cc2nncn2C)CC1	ZINC000160669343	323101653	/nfs/dbraw/zinc/10/16/53/323101653.db2.gz	OUXRKPRCATUIGJ-UHFFFAOYSA-N	0	1	209.297	-0.047	20	70		BBIDMN
CC(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160689215	387512077	/nfs/dbraw/zinc/51/20/77/387512077.db2.gz	KARPCDWMOMGVIT-PHIMTYICSA-N	0	1	239.319	-0.182	20	70		BBIDMN
CN(CC(=O)N1CC(O)C1)[C@@H]1CCSC1	ZINC000160707211	323103769	/nfs/dbraw/zinc/10/37/69/323103769.db2.gz	GPNTVSFQMMKBKZ-MRVPVSSYSA-N	0	1	230.333	-0.373	20	70		BBIDMN
CN(CC(=O)N1CC(O)C1)[C@H]1CCSC1	ZINC000160707338	323103807	/nfs/dbraw/zinc/10/38/07/323103807.db2.gz	GPNTVSFQMMKBKZ-QMMMGPOBSA-N	0	1	230.333	-0.373	20	70		BBIDMN
O=C(Cn1cnnn1)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160741756	349315724	/nfs/dbraw/zinc/31/57/24/349315724.db2.gz	VYHXADWIDYJBJI-DTORHVGOSA-N	0	1	236.279	-0.974	20	70		BBIDMN
CC[C@](C)(O)CN1CCO[C@H](C(N)=O)C1	ZINC000160749352	387515234	/nfs/dbraw/zinc/51/52/34/387515234.db2.gz	PPCHFCTXUGKXOD-WPRPVWTQSA-N	0	1	216.281	-0.667	20	70		BBIDMN
CC[C@@](C)(O)CN1CCO[C@H](C(N)=O)C1	ZINC000160749446	387515771	/nfs/dbraw/zinc/51/57/71/387515771.db2.gz	PPCHFCTXUGKXOD-WCBMZHEXSA-N	0	1	216.281	-0.667	20	70		BBIDMN
CNS(=O)(=O)NCc1cn[nH]c1C	ZINC000160771371	323134720	/nfs/dbraw/zinc/13/47/20/323134720.db2.gz	WPWMERDUAIIKGE-UHFFFAOYSA-N	0	1	204.255	-0.728	20	70		BBIDMN
CCNS(=O)(=O)NCc1cn[nH]c1C	ZINC000160771495	343204102	/nfs/dbraw/zinc/20/41/02/343204102.db2.gz	AYUCXJBYZKRMQO-UHFFFAOYSA-N	0	1	218.282	-0.338	20	70		BBIDMN
Cc1[nH]ncc1CNS(=O)(=O)NC1CC1	ZINC000160771644	323134729	/nfs/dbraw/zinc/13/47/29/323134729.db2.gz	MGLNCZYBAPSZNY-UHFFFAOYSA-N	0	1	230.293	-0.195	20	70		BBIDMN
CCCNS(=O)(=O)N(C)Cc1nnc[nH]1	ZINC000160783760	169270456	/nfs/dbraw/zinc/27/04/56/169270456.db2.gz	KAQZMNMPTJXTGJ-UHFFFAOYSA-N	0	1	233.297	-0.519	20	70		BBIDMN
CC(C)NS(=O)(=O)N(C)Cc1nnc[nH]1	ZINC000160783898	167123356	/nfs/dbraw/zinc/12/33/56/167123356.db2.gz	OGPZPRYFQFRJSO-UHFFFAOYSA-N	0	1	233.297	-0.521	20	70		BBIDMN
CCNS(=O)(=O)N(C)Cc1nnc[nH]1	ZINC000160784153	361328729	/nfs/dbraw/zinc/32/87/29/361328729.db2.gz	CDGIAYKXJWKIMR-UHFFFAOYSA-N	0	1	219.270	-0.909	20	70		BBIDMN
CN(Cc1nnc[nH]1)S(=O)(=O)NC1CC1	ZINC000160784312	343204063	/nfs/dbraw/zinc/20/40/63/343204063.db2.gz	XOWWHHNLWAFHKW-UHFFFAOYSA-N	0	1	231.281	-0.767	20	70		BBIDMN
CCCNS(=O)(=O)NCCc1nc[nH]n1	ZINC000160785858	169271422	/nfs/dbraw/zinc/27/14/22/169271422.db2.gz	VUCUOICPNQVEDI-UHFFFAOYSA-N	0	1	233.297	-0.819	20	70		BBIDMN
CC(C)NS(=O)(=O)NCc1cnc[nH]1	ZINC000160788487	358561254	/nfs/dbraw/zinc/56/12/54/358561254.db2.gz	QPOGARRVOJXJRP-UHFFFAOYSA-N	0	1	218.282	-0.258	20	70		BBIDMN
CNC(=O)NC(=O)[C@H](C)N(C)C[C@H](O)C1CC1	ZINC000160809658	358721047	/nfs/dbraw/zinc/72/10/47/358721047.db2.gz	JUDRVAQDVXRKNF-CBAPKCEASA-N	0	1	243.307	-0.467	20	70		BBIDMN
CNC(=O)NC(=O)[C@@H](C)N(C)C[C@H](O)C1CC1	ZINC000160809800	346465253	/nfs/dbraw/zinc/46/52/53/346465253.db2.gz	JUDRVAQDVXRKNF-APPZFPTMSA-N	0	1	243.307	-0.467	20	70		BBIDMN
C[C@@H](C(=O)NC(N)=O)N(C)C[C@H](O)C1CC1	ZINC000160864073	358975295	/nfs/dbraw/zinc/97/52/95/358975295.db2.gz	NTFQLKOCEZPKDE-XPUUQOCRSA-N	0	1	229.280	-0.728	20	70		BBIDMN
C[C@H](C(=O)NC(N)=O)N(C)C[C@H](O)C1CC1	ZINC000160864192	358975369	/nfs/dbraw/zinc/97/53/69/358975369.db2.gz	NTFQLKOCEZPKDE-SVRRBLITSA-N	0	1	229.280	-0.728	20	70		BBIDMN
O=C(CO)N1CCN(C2CCOCC2)CC1	ZINC000161119114	388482742	/nfs/dbraw/zinc/48/27/42/388482742.db2.gz	DHXNBBRSZBMHPG-UHFFFAOYSA-N	0	1	228.292	-0.698	20	70		BBIDMN
C[C@](CO)(NCC(N)=O)c1ccccc1	ZINC000161157760	363203720	/nfs/dbraw/zinc/20/37/20/363203720.db2.gz	VPIVEGIRMFJTPB-LLVKDONJSA-N	0	1	208.261	-0.031	20	70		BBIDMN
C[C@@](CO)(NCC(N)=O)c1ccccc1	ZINC000161157890	388676489	/nfs/dbraw/zinc/67/64/89/388676489.db2.gz	VPIVEGIRMFJTPB-NSHDSACASA-N	0	1	208.261	-0.031	20	70		BBIDMN
CCN(CC(=O)NCC[C@H](O)COC)C1CC1	ZINC000161255298	387163871	/nfs/dbraw/zinc/16/38/71/387163871.db2.gz	CIPCUELMVXVKCC-NSHDSACASA-N	0	1	244.335	-0.016	20	70		BBIDMN
CCN(CC(=O)NCC[C@@H](O)COC)C1CC1	ZINC000161255422	387163534	/nfs/dbraw/zinc/16/35/34/387163534.db2.gz	CIPCUELMVXVKCC-LLVKDONJSA-N	0	1	244.335	-0.016	20	70		BBIDMN
CCC[C@@H](O)CNC(=O)[C@@H](N)COC	ZINC000217976114	134251232	/nfs/dbraw/zinc/25/12/32/134251232.db2.gz	XRUNSEQMXNFWQA-SFYZADRCSA-N	0	1	204.270	-0.763	20	70		BBIDMN
CCC[C@H](O)CNC(=O)[C@@H](N)COC	ZINC000217976187	535712250	/nfs/dbraw/zinc/71/22/50/535712250.db2.gz	XRUNSEQMXNFWQA-YUMQZZPRSA-N	0	1	204.270	-0.763	20	70		BBIDMN
CCC[C@@H](O)CNC(=O)[C@H](N)COC	ZINC000217976280	535386908	/nfs/dbraw/zinc/38/69/08/535386908.db2.gz	XRUNSEQMXNFWQA-HTQZYQBOSA-N	0	1	204.270	-0.763	20	70		BBIDMN
CCC[C@H](O)CNC(=O)[C@H](N)COC	ZINC000217976366	535714227	/nfs/dbraw/zinc/71/42/27/535714227.db2.gz	XRUNSEQMXNFWQA-JGVFFNPUSA-N	0	1	204.270	-0.763	20	70		BBIDMN
COC(=O)[C@@H]1CCCN1C(=O)CN(C)C	ZINC000218006349	134251570	/nfs/dbraw/zinc/25/15/70/134251570.db2.gz	MCIJPXYKVJNTKR-QMMMGPOBSA-N	0	1	214.265	-0.288	20	70		BBIDMN
COC(=O)[C@H]1CCCN1C(=O)CN(C)C	ZINC000218006440	536782438	/nfs/dbraw/zinc/78/24/38/536782438.db2.gz	MCIJPXYKVJNTKR-MRVPVSSYSA-N	0	1	214.265	-0.288	20	70		BBIDMN
CCN(CC(=O)OC)C(=O)CN(C)C	ZINC000218012845	134251307	/nfs/dbraw/zinc/25/13/07/134251307.db2.gz	ZPHPSYQZKHNNBH-UHFFFAOYSA-N	0	1	202.254	-0.431	20	70		BBIDMN
COCCOCC(=O)N1CCCN(C)CC1	ZINC000218029110	134251235	/nfs/dbraw/zinc/25/12/35/134251235.db2.gz	MGKFGFVLKGGEGA-UHFFFAOYSA-N	0	1	230.308	-0.187	20	70		BBIDMN
COC(=O)[C@@H]1CCN(C(=O)CN(C)C)C1	ZINC000218030346	134251142	/nfs/dbraw/zinc/25/11/42/134251142.db2.gz	BDYNMLQXPFMBOT-MRVPVSSYSA-N	0	1	214.265	-0.431	20	70		BBIDMN
COC(=O)[C@H]1CCN(C(=O)CN(C)C)C1	ZINC000218030430	134250984	/nfs/dbraw/zinc/25/09/84/134250984.db2.gz	BDYNMLQXPFMBOT-QMMMGPOBSA-N	0	1	214.265	-0.431	20	70		BBIDMN
CCOC(=O)[C@@H](C)NC(=O)CN(C)C	ZINC000218031842	592151532	/nfs/dbraw/zinc/15/15/32/592151532.db2.gz	OEMLCLYUCXDPPQ-SSDOTTSWSA-N	0	1	202.254	-0.384	20	70		BBIDMN
CCOC(=O)[C@H](C)NC(=O)CN(C)C	ZINC000218031924	592151674	/nfs/dbraw/zinc/15/16/74/592151674.db2.gz	OEMLCLYUCXDPPQ-ZETCQYMHSA-N	0	1	202.254	-0.384	20	70		BBIDMN
CCOC(=O)CCNC(=O)CN(C)C	ZINC000218033244	535651767	/nfs/dbraw/zinc/65/17/67/535651767.db2.gz	PPUDNUNTDYHTNF-UHFFFAOYSA-N	0	1	202.254	-0.383	20	70		BBIDMN
COC(=O)[C@@H]1CCCN([C@@H](C)C(N)=O)C1	ZINC000218051999	134251258	/nfs/dbraw/zinc/25/12/58/134251258.db2.gz	RKJVTZFYEWWEHS-JGVFFNPUSA-N	0	1	214.265	-0.255	20	70		BBIDMN
CCOC(=O)CCN(C)C(=O)CN(C)C	ZINC000218198275	535639330	/nfs/dbraw/zinc/63/93/30/535639330.db2.gz	LEINUALIXWSVOO-UHFFFAOYSA-N	0	1	216.281	-0.040	20	70		BBIDMN
CS(=O)(=O)NCCCNCc1ncc[nH]1	ZINC000218214157	134252670	/nfs/dbraw/zinc/25/26/70/134252670.db2.gz	ZJLDFDHUMYTLGJ-UHFFFAOYSA-N	0	1	232.309	-0.561	20	70		BBIDMN