smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1scc(C(=O)N2CCC[C@H]2c2nc(C3CC3)no2)c1-c1ccccc1	ZINC000218727588	205949052	/nfs/dbraw/zinc/94/90/52/205949052.db2.gz	ANBNWOIECJAXRX-KRWDZBQOSA-N	0	0	379.485	4.961	50	70		GJIARN
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cc(Cl)ccn1	ZINC000160300120	570244613	/nfs/dbraw/zinc/24/46/13/570244613.db2.gz	NVDYEYRRBCVCQU-HNNXBMFYSA-N	0	0	381.307	4.527	50	70		GJIARN
Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1	ZINC000217494334	211749367	/nfs/dbraw/zinc/74/93/67/211749367.db2.gz	MDNDYTUUSJBBSC-SFHVURJKSA-N	0	0	395.453	4.775	50	70		GJIARN
CC(C)[C@H](NC(=O)CC1(n2cccc2)CCCCC1)c1nc2ccccc2n1C	ZINC000218256084	211757661	/nfs/dbraw/zinc/75/76/61/211757661.db2.gz	RTWXPZIAYOSNBQ-QFIPXVFZSA-N	0	0	392.547	4.938	50	70		GJIARN
CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc2ccccc2[nH]1	ZINC000218389988	211758325	/nfs/dbraw/zinc/75/83/25/211758325.db2.gz	LOTCJOGYDGPOIN-NRFANRHFSA-N	0	0	391.515	4.515	50	70		GJIARN
Cc1ccccc1NC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1	ZINC000217833425	205941290	/nfs/dbraw/zinc/94/12/90/205941290.db2.gz	IZKRHEUYMFQGAR-GOSISDBHSA-N	0	0	390.487	4.840	50	70		GJIARN
COc1ccccc1CC(=O)N[C@H](c1nc2ccccc2n1C(C)C)C(C)C	ZINC000218202797	205945445	/nfs/dbraw/zinc/94/54/45/205945445.db2.gz	ZAPYDWQALQXMDE-QFIPXVFZSA-N	0	0	379.504	4.682	50	70		GJIARN
C[C@@](O)(CNC(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2s1	ZINC000217523663	211749376	/nfs/dbraw/zinc/74/93/76/211749376.db2.gz	LNIIWLRANWZYFW-GOSISDBHSA-N	0	0	394.418	4.949	50	70		GJIARN
O=C(c1ccc(CSc2ccccn2)cc1)N1CCC[C@H]1c1ccccn1	ZINC000218051267	205943765	/nfs/dbraw/zinc/94/37/65/205943765.db2.gz	HVESSFPFRWYMAG-FQEVSTJZSA-N	0	0	375.497	4.746	50	70		GJIARN
C[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)C(C)(C)c1ccccc1	ZINC000216760056	570942779	/nfs/dbraw/zinc/94/27/79/570942779.db2.gz	GPIFSZGOLWWUCK-LJQANCHMSA-N	0	0	380.532	4.744	50	70		GJIARN
COc1ccc(CC(=O)N[C@H](c2nc3ccccc3n2C(C)C)C(C)C)cc1	ZINC000218169741	570326857	/nfs/dbraw/zinc/32/68/57/570326857.db2.gz	JVUOMXIWIBDQFV-QFIPXVFZSA-N	0	0	379.504	4.682	50	70		GJIARN
C[C@@](O)(CNC(=O)CC(c1ccccc1)c1ccccc1)c1cc2ccccc2o1	ZINC000217991640	205942918	/nfs/dbraw/zinc/94/29/18/205942918.db2.gz	OEBACWBIYHXWTP-AREMUKBSSA-N	0	0	399.490	4.979	50	70		GJIARN
CCC(=O)c1cccc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)c1	ZINC000160719512	570372357	/nfs/dbraw/zinc/37/23/57/570372357.db2.gz	KJDHTCGXTYZVJF-UHFFFAOYSA-N	0	0	398.260	4.684	50	70		GJIARN
COC(=O)c1ccc(C(=O)N2CCS[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000217641646	205940035	/nfs/dbraw/zinc/94/00/35/205940035.db2.gz	YFVJRHGSFUKXTM-QGZVFWFLSA-N	0	0	396.295	4.668	50	70		GJIARN
O=C(NCCCOc1ccc(F)cc1)Nc1cccc(Oc2ccncc2)c1	ZINC000217156174	570942612	/nfs/dbraw/zinc/94/26/12/570942612.db2.gz	MJGQOOBXGSPMFQ-UHFFFAOYSA-N	0	0	381.407	4.604	50	70		GJIARN
Cc1c(NC(=O)c2ccc(C)nc2Br)cnn1-c1cc(C)ccc1C	ZINC000160928854	209246405	/nfs/dbraw/zinc/24/64/05/209246405.db2.gz	MXJOISBKHYOECO-UHFFFAOYSA-N	0	0	399.292	4.516	50	70		GJIARN
CC(C)Oc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1	ZINC000217907058	211754534	/nfs/dbraw/zinc/75/45/34/211754534.db2.gz	GBWYBMZMJZDWBR-QGZVFWFLSA-N	0	0	380.440	4.659	50	70	biogenic	GJIARN
O=C(Cc1ccccc1Cl)NCCn1nc(-c2ccsc2)cc1C1CC1	ZINC000217878267	211753511	/nfs/dbraw/zinc/75/35/11/211753511.db2.gz	QQZFNQYZLOFQSA-UHFFFAOYSA-N	0	0	385.920	4.501	50	70		GJIARN
O=C1C[C@@H](c2ccc(O)cc2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	ZINC000218053476	209184556	/nfs/dbraw/zinc/18/45/56/209184556.db2.gz	XNNVNKYATABBKO-KRWDZBQOSA-N	0	0	378.424	4.501	50	70	biogenic	GJIARN
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1cc(Cl)ccn1	ZINC000160300245	570244483	/nfs/dbraw/zinc/24/44/83/570244483.db2.gz	NVDYEYRRBCVCQU-OAHLLOKOSA-N	0	0	381.307	4.527	50	70		GJIARN
COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC2(CCCCC2)CC4=O)cc1	ZINC000218032454	209185324	/nfs/dbraw/zinc/18/53/24/209185324.db2.gz	QTNNHMLKWKRINI-GOSISDBHSA-N	0	0	392.451	4.804	50	70	biogenic	GJIARN
CC(C)c1sc(Cl)nc1C(=O)N[C@H](c1nc2ccccc2n1C)C(C)C	ZINC000218294157	570330408	/nfs/dbraw/zinc/33/04/08/570330408.db2.gz	ZTDNWGNLOZFKPH-AWEZNQCLSA-N	0	0	390.940	4.934	50	70		GJIARN
COCCn1cc(CCCC(=O)Nc2cccc3[nH]ccc32)c2ccccc21	ZINC000218082962	209185247	/nfs/dbraw/zinc/18/52/47/209185247.db2.gz	VKJYFSJYJVWCAC-UHFFFAOYSA-N	0	0	375.472	4.730	50	70	biogenic	GJIARN
CCCCOc1ccc(NC(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1	ZINC000217818507	211752464	/nfs/dbraw/zinc/75/24/64/211752464.db2.gz	AOSHDLDNTOOTAJ-MRXNPFEDSA-N	0	0	398.507	4.613	50	70		GJIARN
C[C@@](O)(CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2s1	ZINC000217504727	205938140	/nfs/dbraw/zinc/93/81/40/205938140.db2.gz	PXAOQXFGEVGTHA-HXUWFJFHSA-N	0	0	385.554	4.799	50	70		GJIARN
Cc1csc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4C)no3)C2)c1	ZINC000217830749	211752324	/nfs/dbraw/zinc/75/23/24/211752324.db2.gz	QHLVUQPMYILNMU-INIZCTEOSA-N	0	0	381.501	4.510	50	70		GJIARN
O=C1C[C@H](c2cccc(O)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	ZINC000218016850	212112870	/nfs/dbraw/zinc/11/28/70/212112870.db2.gz	CBZNDKQZUKMNAF-QGZVFWFLSA-N	0	0	378.424	4.501	50	70	biogenic	GJIARN
Cn1nc(CN(C(=O)c2c(F)cccc2Cl)C2CCCC2)cc1C1CC1	ZINC000217898812	222583635	/nfs/dbraw/zinc/58/36/35/222583635.db2.gz	OCMGTELGROOBKQ-UHFFFAOYSA-N	0	0	375.875	4.675	50	70		GJIARN
Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1	ZINC000217491669	208827059	/nfs/dbraw/zinc/82/70/59/208827059.db2.gz	WCGULSUXGUGYGB-LJQANCHMSA-N	0	0	377.463	4.636	50	70		GJIARN
Cc1nccn1-c1ccc(CNC(=O)c2occc2-c2ccc(F)cc2)cc1F	ZINC000161156949	222531801	/nfs/dbraw/zinc/53/18/01/222531801.db2.gz	YHYGIFQHSBLPMA-UHFFFAOYSA-N	0	0	393.393	4.649	50	70		GJIARN
COc1ccccc1-c1cc(C(=O)Nc2ccccc2-c2csc(C)n2)n[nH]1	ZINC000218597136	570931157	/nfs/dbraw/zinc/93/11/57/570931157.db2.gz	JBWQLQKDHFSYNH-UHFFFAOYSA-N	0	0	390.468	4.770	50	70		GJIARN
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)n1	ZINC000217827585	208832366	/nfs/dbraw/zinc/83/23/66/208832366.db2.gz	RRONGPWAPNJIFL-MRXNPFEDSA-N	0	0	395.890	4.793	50	70		GJIARN
COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1c(C)[nH]c2ccccc21	ZINC000217629027	570319518	/nfs/dbraw/zinc/31/95/18/570319518.db2.gz	PUXRNMXGPBHKPZ-JOCHJYFZSA-N	0	0	387.483	4.703	50	70	biogenic	GJIARN
Cc1noc(-c2ccsc2NC(=O)c2cc(Br)ccc2Cl)n1	ZINC000217648119	222581500	/nfs/dbraw/zinc/58/15/00/222581500.db2.gz	XXRMQMHORWXTAG-UHFFFAOYSA-N	0	0	398.669	4.775	50	70		GJIARN
Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	ZINC000160262785	570472075	/nfs/dbraw/zinc/47/20/75/570472075.db2.gz	WVBMNCIEGJNDDA-UHFFFAOYSA-N	0	0	389.883	4.823	50	70		GJIARN
O=C1C[C@H](c2ccc(O)cc2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	ZINC000218053527	212112721	/nfs/dbraw/zinc/11/27/21/212112721.db2.gz	XNNVNKYATABBKO-QGZVFWFLSA-N	0	0	378.424	4.501	50	70	biogenic	GJIARN
O=C(c1ccc(CSc2ccccn2)cc1)N1CCC[C@@H]1c1ccccn1	ZINC000218051198	208832852	/nfs/dbraw/zinc/83/28/52/208832852.db2.gz	HVESSFPFRWYMAG-HXUWFJFHSA-N	0	0	375.497	4.746	50	70		GJIARN
O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	ZINC000218016764	212113675	/nfs/dbraw/zinc/11/36/75/212113675.db2.gz	CBZNDKQZUKMNAF-KRWDZBQOSA-N	0	0	378.424	4.501	50	70	biogenic	GJIARN
COc1ccc(F)c(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1F	ZINC000160904602	206304821	/nfs/dbraw/zinc/30/48/21/206304821.db2.gz	AMCLHRWYAYBOIZ-UHFFFAOYSA-N	0	0	390.411	4.666	50	70		GJIARN
COc1ccccc1C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(C)C	ZINC000218534075	570336278	/nfs/dbraw/zinc/33/62/78/570336278.db2.gz	DVHOSUSBMLNBDA-FQEVSTJZSA-N	0	0	377.488	4.678	50	70		GJIARN
O=C(CCn1c2ccccc2c2c1CCCC2)N1CCc2c3ccccc3[nH]c2C1	ZINC000218069071	212113999	/nfs/dbraw/zinc/11/39/99/212113999.db2.gz	LACCQBUKIJRFAI-UHFFFAOYSA-N	0	0	397.522	4.976	50	70	biogenic	GJIARN
O=C(/C=C/c1ccccc1Cl)N1CCC(COCc2ccc(F)cc2)CC1	ZINC000217462760	208825996	/nfs/dbraw/zinc/82/59/96/208825996.db2.gz	FRMJGBNJKJZPRU-JXMROGBWSA-N	0	0	387.882	4.948	50	70		GJIARN
COCCn1cc(CCCC(=O)Nc2ccc3[nH]ccc3c2)c2ccccc21	ZINC000218299257	222586951	/nfs/dbraw/zinc/58/69/51/222586951.db2.gz	XHDYFWHFNQGXFW-UHFFFAOYSA-N	0	0	375.472	4.730	50	70		GJIARN
COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1c(C)[nH]c2ccccc21	ZINC000217628944	570319613	/nfs/dbraw/zinc/31/96/13/570319613.db2.gz	PUXRNMXGPBHKPZ-QFIPXVFZSA-N	0	0	387.483	4.703	50	70	biogenic	GJIARN
COc1ccc(N(C)C(=O)c2csc(-c3ccccc3F)n2)cc1Cl	ZINC000160238823	206305821	/nfs/dbraw/zinc/30/58/21/206305821.db2.gz	ZZQCLCRFEGQNQY-UHFFFAOYSA-N	0	0	376.840	4.888	50	70		GJIARN
CC(C)[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1nc2ccccc2n1C	ZINC000218212786	570328055	/nfs/dbraw/zinc/32/80/55/570328055.db2.gz	MAILTBNZYBVMKV-QHCPKHFHSA-N	0	0	388.515	4.511	50	70		GJIARN
CC(C)[C@H](NC(=O)CCCc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1	ZINC000218253607	570329249	/nfs/dbraw/zinc/32/92/49/570329249.db2.gz	BVJDBECQSJXZTC-QHCPKHFHSA-N	0	0	388.515	4.891	50	70		GJIARN
CCc1ccc(Cl)c(CC)c1NS(=O)(=O)c1ccc(C)c(NC(C)=O)c1	ZINC000160951204	570450412	/nfs/dbraw/zinc/45/04/12/570450412.db2.gz	LDHNJAGTSHHQDH-UHFFFAOYSA-N	0	0	394.924	4.532	50	70		GJIARN
O=C(c1ccc2nsnc2c1)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000217631524	222581390	/nfs/dbraw/zinc/58/13/90/222581390.db2.gz	VCZXJFAVMOUZJI-MRXNPFEDSA-N	0	0	395.431	4.598	50	70		GJIARN
COc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@H]3c3cccnc3)s2)cc1	ZINC000218095885	212113702	/nfs/dbraw/zinc/11/37/02/212113702.db2.gz	MQLFMMQRRUCPEM-IBGZPJMESA-N	0	0	393.512	4.890	50	70	biogenic	GJIARN
CC(C)C[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1	ZINC000217945850	212112867	/nfs/dbraw/zinc/11/28/67/212112867.db2.gz	KZDUCCWGSFHGMP-NRFANRHFSA-N	0	0	388.515	4.891	50	70	biogenic	GJIARN
COc1cccc2cc(C(=O)N(Cc3cc(C4CC4)n(C)n3)C3CCCC3)oc21	ZINC000217898302	208832083	/nfs/dbraw/zinc/83/20/83/208832083.db2.gz	OZPFQNGBOSVQRB-UHFFFAOYSA-N	0	0	393.487	4.637	50	70		GJIARN
C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)C(C)(C)c1ccccc1	ZINC000216760091	570942560	/nfs/dbraw/zinc/94/25/60/570942560.db2.gz	GPIFSZGOLWWUCK-IBGZPJMESA-N	0	0	380.532	4.744	50	70		GJIARN
CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc2ccccc2[nH]1	ZINC000218234939	208834871	/nfs/dbraw/zinc/83/48/71/208834871.db2.gz	IPTFGFMMVMYEEP-UWJYYQICSA-N	0	0	391.515	4.515	50	70		GJIARN
CC(C)c1sc(Cl)nc1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C	ZINC000218549128	570336724	/nfs/dbraw/zinc/33/67/24/570336724.db2.gz	CWUPZMTZVYLHEF-AWEZNQCLSA-N	0	0	388.924	4.784	50	70		GJIARN