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)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217024247	352232916	/nfs/dbraw/zinc/23/29/16/352232916.db2.gz	PHKPTKPWSOHYLX-RYUDHWBXSA-N	2	2	283.372	-0.260	20	70		CBIDLP
COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217024247	352232918	/nfs/dbraw/zinc/23/29/18/352232918.db2.gz	PHKPTKPWSOHYLX-RYUDHWBXSA-N	2	2	283.372	-0.260	20	70		CBIDLP
CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)CC1	ZINC000159424377	351963470	/nfs/dbraw/zinc/96/34/70/351963470.db2.gz	CTHVUPYFIHEHFM-NEPJUHHUSA-N	2	2	257.378	-0.148	20	70		CBIDLP
CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)CC1	ZINC000159424377	351963473	/nfs/dbraw/zinc/96/34/73/351963473.db2.gz	CTHVUPYFIHEHFM-NEPJUHHUSA-N	2	2	257.378	-0.148	20	70		CBIDLP
Cn1c(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc(=O)n(C)c1=O	ZINC000160101329	351969240	/nfs/dbraw/zinc/96/92/40/351969240.db2.gz	QVPNDPJTDDZZQH-NSHDSACASA-N	2	2	266.345	-0.747	20	70		CBIDLP
Cn1c(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc(=O)n(C)c1=O	ZINC000160101329	351969241	/nfs/dbraw/zinc/96/92/41/351969241.db2.gz	QVPNDPJTDDZZQH-NSHDSACASA-N	2	2	266.345	-0.747	20	70		CBIDLP
O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCNC1=O	ZINC000161347034	544475129	/nfs/dbraw/zinc/47/51/29/544475129.db2.gz	LKOVDURILFUMTL-UHFFFAOYSA-N	2	2	289.339	-0.245	20	70		CBIDLP
Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(=O)n(C)c1=O	ZINC000217625927	544490067	/nfs/dbraw/zinc/49/00/67/544490067.db2.gz	YOKNKDBJJXTBLR-STQMWFEESA-N	2	2	292.383	-0.200	20	70		CBIDLP
Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(=O)n(C)c1=O	ZINC000217625927	544490070	/nfs/dbraw/zinc/49/00/70/544490070.db2.gz	YOKNKDBJJXTBLR-STQMWFEESA-N	2	2	292.383	-0.200	20	70		CBIDLP
CS(=O)(=O)N[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1	ZINC000159790982	544473252	/nfs/dbraw/zinc/47/32/52/544473252.db2.gz	DQCADFHGXBPLGJ-LLVKDONJSA-N	2	2	272.374	-0.103	20	70		CBIDLP
CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1	ZINC000159790982	544473253	/nfs/dbraw/zinc/47/32/53/544473253.db2.gz	DQCADFHGXBPLGJ-LLVKDONJSA-N	2	2	272.374	-0.103	20	70		CBIDLP
C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H](C[NH3+])C1CC1	ZINC000160014889	351967918	/nfs/dbraw/zinc/96/79/18/351967918.db2.gz	UHMVMAZCEDLBJA-JTQLQIEISA-N	2	2	268.361	-0.014	20	70		CBIDLP
C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H](C[NH3+])C1CC1	ZINC000160014889	351967919	/nfs/dbraw/zinc/96/79/19/351967919.db2.gz	UHMVMAZCEDLBJA-JTQLQIEISA-N	2	2	268.361	-0.014	20	70		CBIDLP
C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@H](C[NH3+])C1CC1	ZINC000160015010	351968253	/nfs/dbraw/zinc/96/82/53/351968253.db2.gz	UHMVMAZCEDLBJA-SNVBAGLBSA-N	2	2	268.361	-0.014	20	70		CBIDLP
C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)[C@H](C[NH3+])C1CC1	ZINC000160015010	351968255	/nfs/dbraw/zinc/96/82/55/351968255.db2.gz	UHMVMAZCEDLBJA-SNVBAGLBSA-N	2	2	268.361	-0.014	20	70		CBIDLP
C[C@@H](C(=O)NC(N)=O)[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161339997	351974949	/nfs/dbraw/zinc/97/49/49/351974949.db2.gz	XLJXPTJPANLLPX-JTQLQIEISA-N	2	2	277.328	-0.213	20	70		CBIDLP
O=C(CN1CC[NH2+]CC1=O)NCC[NH2+]C1CCCCCC1	ZINC000159731517	207390704	/nfs/dbraw/zinc/39/07/04/207390704.db2.gz	KEIANVLPSXLVKF-UHFFFAOYSA-N	2	2	296.415	-0.153	20	70		CBIDLP
CC[N@H+](CCNC[C@H](O)C[NH+]1CCOCC1)C1CC1	ZINC000218467708	372868911	/nfs/dbraw/zinc/86/89/11/372868911.db2.gz	JPFWJYASSWFULD-AWEZNQCLSA-N	2	2	271.405	-0.247	20	70		CBIDLP
CC[N@@H+](CCNC[C@H](O)C[NH+]1CCOCC1)C1CC1	ZINC000218467708	372868916	/nfs/dbraw/zinc/86/89/16/372868916.db2.gz	JPFWJYASSWFULD-AWEZNQCLSA-N	2	2	271.405	-0.247	20	70		CBIDLP
Cn1c(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc(=O)n(C)c1=O	ZINC000160101466	351969450	/nfs/dbraw/zinc/96/94/50/351969450.db2.gz	QVPNDPJTDDZZQH-LLVKDONJSA-N	2	2	266.345	-0.747	20	70		CBIDLP
Cn1c(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc(=O)n(C)c1=O	ZINC000160101466	351969455	/nfs/dbraw/zinc/96/94/55/351969455.db2.gz	QVPNDPJTDDZZQH-LLVKDONJSA-N	2	2	266.345	-0.747	20	70		CBIDLP
COC[C@@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1	ZINC000159411574	292818144	/nfs/dbraw/zinc/81/81/44/292818144.db2.gz	DBEFPBZKARIGOL-CHWSQXEVSA-N	2	2	287.404	-0.177	20	70		CBIDLP
NC(=O)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161308060	351974597	/nfs/dbraw/zinc/97/45/97/351974597.db2.gz	PTYOEYGIICTYBC-UHFFFAOYSA-N	2	2	263.301	-0.602	20	70		CBIDLP
CNC(=O)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161319709	351974869	/nfs/dbraw/zinc/97/48/69/351974869.db2.gz	XMYUTZAHLDDLOS-UHFFFAOYSA-N	2	2	277.328	-0.341	20	70		CBIDLP
C[C@H](C(=O)NC(N)=O)[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161340116	351974497	/nfs/dbraw/zinc/97/44/97/351974497.db2.gz	XLJXPTJPANLLPX-SNVBAGLBSA-N	2	2	277.328	-0.213	20	70		CBIDLP
CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O)CC1	ZINC000159424238	351963530	/nfs/dbraw/zinc/96/35/30/351963530.db2.gz	CTHVUPYFIHEHFM-VXGBXAGGSA-N	2	2	257.378	-0.148	20	70		CBIDLP
CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)CC1	ZINC000159424238	351963534	/nfs/dbraw/zinc/96/35/34/351963534.db2.gz	CTHVUPYFIHEHFM-VXGBXAGGSA-N	2	2	257.378	-0.148	20	70		CBIDLP
COC[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1	ZINC000159411836	293118138	/nfs/dbraw/zinc/11/81/38/293118138.db2.gz	DBEFPBZKARIGOL-OLZOCXBDSA-N	2	2	287.404	-0.177	20	70		CBIDLP
COC[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1	ZINC000159411423	351963426	/nfs/dbraw/zinc/96/34/26/351963426.db2.gz	DBEFPBZKARIGOL-QWHCGFSZSA-N	2	2	287.404	-0.177	20	70		CBIDLP
CC[N@H+](CCNC[C@@H](O)C[NH+]1CCOCC1)C1CC1	ZINC000218467621	372869300	/nfs/dbraw/zinc/86/93/00/372869300.db2.gz	JPFWJYASSWFULD-CQSZACIVSA-N	2	2	271.405	-0.247	20	70		CBIDLP
CC[N@@H+](CCNC[C@@H](O)C[NH+]1CCOCC1)C1CC1	ZINC000218467621	372869309	/nfs/dbraw/zinc/86/93/09/372869309.db2.gz	JPFWJYASSWFULD-CQSZACIVSA-N	2	2	271.405	-0.247	20	70		CBIDLP
COC[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1	ZINC000159411712	351963207	/nfs/dbraw/zinc/96/32/07/351963207.db2.gz	DBEFPBZKARIGOL-STQMWFEESA-N	2	2	287.404	-0.177	20	70		CBIDLP
COCC[N@H+](CCn1cc[nH+]c1)CC(=O)N(C)C	ZINC000159754063	351965803	/nfs/dbraw/zinc/96/58/03/351965803.db2.gz	JICLCWYGQUMDST-UHFFFAOYSA-N	2	2	254.334	-0.080	20	70		CBIDLP
COCC[N@@H+](CCn1cc[nH+]c1)CC(=O)N(C)C	ZINC000159754063	351965807	/nfs/dbraw/zinc/96/58/07/351965807.db2.gz	JICLCWYGQUMDST-UHFFFAOYSA-N	2	2	254.334	-0.080	20	70		CBIDLP
COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217024208	352232544	/nfs/dbraw/zinc/23/25/44/352232544.db2.gz	PHKPTKPWSOHYLX-NEPJUHHUSA-N	2	2	283.372	-0.260	20	70		CBIDLP
COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217024208	352232548	/nfs/dbraw/zinc/23/25/48/352232548.db2.gz	PHKPTKPWSOHYLX-NEPJUHHUSA-N	2	2	283.372	-0.260	20	70		CBIDLP
CS(=O)(=O)N[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1	ZINC000159791122	544473811	/nfs/dbraw/zinc/47/38/11/544473811.db2.gz	DQCADFHGXBPLGJ-NSHDSACASA-N	2	2	272.374	-0.103	20	70		CBIDLP
CS(=O)(=O)N[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1	ZINC000159791122	544473815	/nfs/dbraw/zinc/47/38/15/544473815.db2.gz	DQCADFHGXBPLGJ-NSHDSACASA-N	2	2	272.374	-0.103	20	70		CBIDLP
CN(C(=O)CN1CC[NH2+]CC1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161446757	351975191	/nfs/dbraw/zinc/97/51/91/351975191.db2.gz	RPYWBDJFAOMRCE-FOSCPWQOSA-N	2	2	280.372	-0.840	20	70		CBIDLP
Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(=O)n(C)c1=O	ZINC000217625843	544490707	/nfs/dbraw/zinc/49/07/07/544490707.db2.gz	YOKNKDBJJXTBLR-OLZOCXBDSA-N	2	2	292.383	-0.200	20	70		CBIDLP
Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(=O)n(C)c1=O	ZINC000217625843	544490712	/nfs/dbraw/zinc/49/07/12/544490712.db2.gz	YOKNKDBJJXTBLR-OLZOCXBDSA-N	2	2	292.383	-0.200	20	70		CBIDLP