smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN(C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000160084528	425974396	/nfs/dbraw/zinc/97/43/96/425974396.db2.gz	UYXLHIXKCFFCEF-UHFFFAOYSA-N	-1	0	322.372	2.642	50	70		DFIARM
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000159922591	303975022	/nfs/dbraw/zinc/97/50/22/303975022.db2.gz	YISBFOJCTNKIOS-LBPRGKRZSA-N	-1	0	320.345	2.522	50	70		DFIARM
Cn1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cn1	ZINC000218205587	426564640	/nfs/dbraw/zinc/56/46/40/426564640.db2.gz	WDVFSPJMXUFTHR-UHFFFAOYSA-N	-1	0	321.296	2.669	50	70		DFIARM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccncc1	ZINC000159969300	197377066	/nfs/dbraw/zinc/37/70/66/197377066.db2.gz	XTUZGCFERMEPPT-CYBMUJFWSA-N	-1	0	313.313	2.673	50	70		DFIARM
NC(=O)c1csc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1	ZINC000160753811	425994926	/nfs/dbraw/zinc/99/49/26/425994926.db2.gz	YIIXAFMTGMRWEU-UHFFFAOYSA-N	-1	0	319.367	2.529	50	70		DFIARM
Cn1ccc2c1cccc2C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000217865124	426566618	/nfs/dbraw/zinc/56/66/18/426566618.db2.gz	YJZKFHQUUKJJPL-INIZCTEOSA-N	-1	0	322.364	2.604	50	70		DFIARM
COC(=O)C[C@H](C1=C([O-])c2ccccc2C(=O)C1=O)C(C)C	ZINC000217886289	337383679	/nfs/dbraw/zinc/38/36/79/337383679.db2.gz	ZFJUBAQMIFFIMH-LBPRGKRZSA-N	-1	0	302.326	2.713	50	70		DFIARM
Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccn1	ZINC000160832192	425997545	/nfs/dbraw/zinc/99/75/45/425997545.db2.gz	AIHNCJWKZBVLDK-UHFFFAOYSA-N	-1	0	307.762	2.716	50	70		DFIARM
Cc1cccc(NC(=O)C2=C([O-])CN(c3ccccc3)C2=O)c1	ZINC000217437878	302000162	/nfs/dbraw/zinc/00/01/62/302000162.db2.gz	YOGCVBLKSBIUCX-UHFFFAOYSA-N	-1	0	308.337	2.792	50	70		DFIARM
Cc1ccccc1-c1cccc(C(=O)N[C@@H](C)c2n[nH]c(=O)[n-]2)c1	ZINC000217935014	426564844	/nfs/dbraw/zinc/56/48/44/426564844.db2.gz	MIRGHXUDQSYQKQ-LBPRGKRZSA-N	-1	0	322.368	2.564	50	70		DFIARM
CCCc1cc(CN(C)C(=O)Cc2ccc(O)c(Cl)c2)[nH]n1	ZINC000217496287	426563787	/nfs/dbraw/zinc/56/37/87/426563787.db2.gz	DQDOFZJMZIQMAQ-UHFFFAOYSA-N	-1	0	321.808	2.922	50	70		DFIARM
Cc1ccccc1NC(=O)C1=C([O-])CN(c2ccccc2)C1=O	ZINC000217426781	302104981	/nfs/dbraw/zinc/10/49/81/302104981.db2.gz	ILDIVPRRCQYUTQ-UHFFFAOYSA-N	-1	0	308.337	2.792	50	70		DFIARM
CC(C)(C)OC1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000161000136	426004581	/nfs/dbraw/zinc/00/45/81/426004581.db2.gz	YQAJJDXRXSVUMB-UHFFFAOYSA-N	-1	0	322.361	2.720	50	70		DFIARM
Cc1nc(/C=C\C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cs1	ZINC000218456530	398346240	/nfs/dbraw/zinc/34/62/40/398346240.db2.gz	UNWZGRMMWVTPIJ-FOQNGQEVSA-N	-1	0	308.403	2.568	50	70		DFIARM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccncc1	ZINC000159969423	197376644	/nfs/dbraw/zinc/37/66/44/197376644.db2.gz	XTUZGCFERMEPPT-ZDUSSCGKSA-N	-1	0	313.313	2.673	50	70		DFIARM
Cc1nn(C)c(C)c1C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000160742892	425994374	/nfs/dbraw/zinc/99/43/74/425994374.db2.gz	DQSCMVWUNJMHDH-UHFFFAOYSA-N	-1	0	302.359	2.719	50	70		DFIARM
Cc1ccc(NC(=O)C2=C([O-])CN(c3ccccc3)C2=O)cc1	ZINC000217442240	426563854	/nfs/dbraw/zinc/56/38/54/426563854.db2.gz	DGMKRIKZWVAOLV-UHFFFAOYSA-N	-1	0	308.337	2.792	50	70		DFIARM
O=C([O-])c1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1	ZINC000217723269	304250686	/nfs/dbraw/zinc/25/06/86/304250686.db2.gz	MJKBYIXYDVOBMG-NSHDSACASA-N	-1	0	312.277	2.555	50	70		DFIARM
O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2ccc(Cl)cc2n1	ZINC000159865338	304179052	/nfs/dbraw/zinc/17/90/52/304179052.db2.gz	PJDSYVXAGBRPGM-CQSZACIVSA-N	-1	0	318.760	2.968	50	70		DFIARM
Cc1ccc(N2CC([O-])=C(C(=O)Nc3ccccc3)C2=O)cc1	ZINC000217439764	426563756	/nfs/dbraw/zinc/56/37/56/426563756.db2.gz	YRXMZGDPRGOZBL-UHFFFAOYSA-N	-1	0	308.337	2.792	50	70		DFIARM
C[C@@H](Cc1cccnc1)NC(=O)Cc1ccc(O)c(Cl)c1	ZINC000217144264	563713352	/nfs/dbraw/zinc/71/33/52/563713352.db2.gz	JMXMDNPKFGCLSJ-NSHDSACASA-N	-1	0	304.777	2.731	50	70		DFIARM
Cc1nc(/C=C\C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cs1	ZINC000218456605	398346156	/nfs/dbraw/zinc/34/61/56/398346156.db2.gz	UNWZGRMMWVTPIJ-FJOGCWAESA-N	-1	0	308.403	2.568	50	70		DFIARM
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000159922479	425970449	/nfs/dbraw/zinc/97/04/49/425970449.db2.gz	YISBFOJCTNKIOS-GFCCVEGCSA-N	-1	0	320.345	2.522	50	70		DFIARM
O=C(c1ncccc1O)N1CCCC[C@@H]1CCc1ccccn1	ZINC000217164952	563713143	/nfs/dbraw/zinc/71/31/43/563713143.db2.gz	IQKUPEADHIVAGX-OAHLLOKOSA-N	-1	0	311.385	2.810	50	70		DFIARM
O=C([O-])C1(NC(=O)Cc2cccc(C(F)(F)F)c2)CCCC1	ZINC000217440472	426563893	/nfs/dbraw/zinc/56/38/93/426563893.db2.gz	WKWQUZFDRBYGIK-UHFFFAOYSA-N	-1	0	315.291	2.762	50	70		DFIARM
Cc1ccc(C)c(C(=O)CCC(=O)N2CCCC[C@H]2C(=O)[O-])c1	ZINC000159769044	197362231	/nfs/dbraw/zinc/36/22/31/197362231.db2.gz	YRULCWNCODBRHI-HNNXBMFYSA-N	-1	0	317.385	2.732	50	70		DFIARM
O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(-c2cscn2)cc1	ZINC000159779675	398965893	/nfs/dbraw/zinc/96/58/93/398965893.db2.gz	YSZATJACBNIOIO-AWEZNQCLSA-N	-1	0	316.382	2.889	50	70		DFIARM
Cc1nc(C)c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)s1	ZINC000218667021	302570996	/nfs/dbraw/zinc/57/09/96/302570996.db2.gz	BYACCBXJKHKVNG-WOPDTQHZSA-N	-1	0	308.403	2.618	50	70		DFIARM
O=C([O-])CNC(=O)c1ccc2ccn(Cc3ccccc3)c2c1	ZINC000218158786	426565581	/nfs/dbraw/zinc/56/55/81/426565581.db2.gz	CNZNRDHRDYXGBR-UHFFFAOYSA-N	-1	0	308.337	2.504	50	70		DFIARM
Cc1cc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(=O)[nH]1	ZINC000160760312	398973538	/nfs/dbraw/zinc/97/35/38/398973538.db2.gz	VWYKUHUDTQSLEQ-UHFFFAOYSA-N	-1	0	315.354	2.674	50	70		DFIARM
O=C([O-])c1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1	ZINC000217723361	304250842	/nfs/dbraw/zinc/25/08/42/304250842.db2.gz	MJKBYIXYDVOBMG-LLVKDONJSA-N	-1	0	312.277	2.555	50	70		DFIARM
C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)[O-]	ZINC000217699082	542878269	/nfs/dbraw/zinc/87/82/69/542878269.db2.gz	ZAACPOGHMKCJLZ-ZDUSSCGKSA-N	-1	0	322.364	2.893	50	70		DFIARM
C[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-]	ZINC000218141187	426564580	/nfs/dbraw/zinc/56/45/80/426564580.db2.gz	LSUZITVZSYLOFO-ZDUSSCGKSA-N	-1	0	322.364	2.893	50	70		DFIARM
Cc1nc(-c2ccco2)ccc1C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000159733997	302538361	/nfs/dbraw/zinc/53/83/61/302538361.db2.gz	XFRHEKHLBSNTJG-AWEZNQCLSA-N	-1	0	314.341	2.729	50	70		DFIARM
Cc1ccccc1-c1cccc(C(=O)N[C@H](C)c2n[nH]c(=O)[n-]2)c1	ZINC000217935089	426565918	/nfs/dbraw/zinc/56/59/18/426565918.db2.gz	MIRGHXUDQSYQKQ-GFCCVEGCSA-N	-1	0	322.368	2.564	50	70		DFIARM
O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]21	ZINC000217453112	426564014	/nfs/dbraw/zinc/56/40/14/426564014.db2.gz	PAFAUGMDYPLGSZ-JYAVWHMHSA-N	-1	0	300.383	2.573	50	70		DFIARM
CCCc1noc(CN(C)C(=O)c2ccc(Cl)cc2O)n1	ZINC000217127571	563713015	/nfs/dbraw/zinc/71/30/15/563713015.db2.gz	GDYNYRWIFYRLQA-UHFFFAOYSA-N	-1	0	309.753	2.653	50	70		DFIARM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(Cc1cccnc1)C1CC1	ZINC000159975067	197377846	/nfs/dbraw/zinc/37/78/46/197377846.db2.gz	DRPCITARZAWOHZ-UHFFFAOYSA-N	-1	0	313.313	2.500	50	70		DFIARM
Cc1ccc(C)c(C(=O)CCC(=O)N2CCCC[C@@H]2C(=O)[O-])c1	ZINC000159768897	197362822	/nfs/dbraw/zinc/36/28/22/197362822.db2.gz	YRULCWNCODBRHI-OAHLLOKOSA-N	-1	0	317.385	2.732	50	70		DFIARM
Cc1cc2nc(CN(C)C(=O)c3ccncc3[O-])[nH]c2cc1C	ZINC000217197795	542876643	/nfs/dbraw/zinc/87/66/43/542876643.db2.gz	YKHATTGLOLTFDL-UHFFFAOYSA-N	-1	0	310.357	2.553	50	70		DFIARM
O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2cscn2)cc1	ZINC000159779536	398966727	/nfs/dbraw/zinc/96/67/27/398966727.db2.gz	YSZATJACBNIOIO-CQSZACIVSA-N	-1	0	316.382	2.889	50	70		DFIARM
O=C([O-])CNC(=O)c1ccc2c(ccn2Cc2ccccc2)c1	ZINC000217900411	201528904	/nfs/dbraw/zinc/52/89/04/201528904.db2.gz	KIGPBTYZUXBYOC-UHFFFAOYSA-N	-1	0	308.337	2.504	50	70		DFIARM
Cc1nc(-c2ccco2)ccc1C(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000159733860	425966408	/nfs/dbraw/zinc/96/64/08/425966408.db2.gz	XFRHEKHLBSNTJG-CQSZACIVSA-N	-1	0	314.341	2.729	50	70		DFIARM
COC(=O)C[C@@H](C1=C([O-])c2ccccc2C(=O)C1=O)C(C)C	ZINC000217886196	337383640	/nfs/dbraw/zinc/38/36/40/337383640.db2.gz	ZFJUBAQMIFFIMH-GFCCVEGCSA-N	-1	0	302.326	2.713	50	70		DFIARM
O=C([O-])[C@H]1[C@@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)C[C@@H]21	ZINC000217453980	304210583	/nfs/dbraw/zinc/21/05/83/304210583.db2.gz	DLOBSDLWMOZMHR-ZSHCYNCHSA-N	-1	0	313.397	2.678	50	70		DFIARM
O=C([O-])[C@H]1[C@@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C[C@@H]21	ZINC000217774143	542877980	/nfs/dbraw/zinc/87/79/80/542877980.db2.gz	DQZCPPFEGWZUIO-WDNDVIMCSA-N	-1	0	319.788	2.551	50	70		DFIARM
O=C([O-])c1ccc(CNC(=O)c2ccccc2N2CCCC2)o1	ZINC000218159578	426565468	/nfs/dbraw/zinc/56/54/68/426565468.db2.gz	XTRPCYNRBIILBJ-UHFFFAOYSA-N	-1	0	314.341	2.508	50	70		DFIARM