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@@H](C#N)c1nc2ccccc2nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164813275	720237141	/nfs/dbraw/zinc/23/71/41/720237141.db2.gz	MHEPEUUWPITJOT-SFHVURJKSA-N	1	1	475.553	2.217	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164895766	721435807	/nfs/dbraw/zinc/43/58/07/721435807.db2.gz	PHWILFUIVQBMEB-UNVFRBQDSA-N	1	1	478.597	2.175	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1	ZINC001164813270	720236473	/nfs/dbraw/zinc/23/64/73/720236473.db2.gz	MHEPEUUWPITJOT-GOSISDBHSA-N	1	1	475.553	2.217	20	30		JEEDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(COc4ccc(CC#N)cc4)cn3)C2)C1	ZINC001164720723	720289549	/nfs/dbraw/zinc/28/95/49/720289549.db2.gz	CMCVOYFMDJNGTC-SANMLTNESA-N	1	1	463.582	2.391	20	30		JEEDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(COc4ccc(CC#N)cc4)cn3)C2)C1	ZINC001164720723	720289561	/nfs/dbraw/zinc/28/95/61/720289561.db2.gz	CMCVOYFMDJNGTC-SANMLTNESA-N	1	1	463.582	2.391	20	30		JEEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccnc4[C@H](C#N)C(=O)OC(C)(C)C)C3)O2)CC1	ZINC001164896100	721443739	/nfs/dbraw/zinc/44/37/39/721443739.db2.gz	QLTRAFDJCXJTKE-RLSLOFABSA-N	1	1	470.618	2.191	20	30		JEEDMO
COc1cc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c(C#N)c(Cl)n1	ZINC001164997661	722234972	/nfs/dbraw/zinc/23/49/72/722234972.db2.gz	UMFNEGGFOAMCKO-UHFFFAOYSA-N	1	1	463.920	2.307	20	30		JEEDMO
C[NH+]1CCC(Oc2ccnc(N3CCOC[C@@]4(CN(c5ccc(C#N)cc5)C(=O)CO4)C3)c2)CC1	ZINC001164694804	719784043	/nfs/dbraw/zinc/78/40/43/719784043.db2.gz	HNKNDNRNQUDJOL-SANMLTNESA-N	1	1	477.565	2.065	20	30		JEEDMO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164742310	720727546	/nfs/dbraw/zinc/72/75/46/720727546.db2.gz	OBNJFDPUQGTIFP-MOPGFXCFSA-N	1	1	451.603	2.229	20	30		JEEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164884971	721396207	/nfs/dbraw/zinc/39/62/07/721396207.db2.gz	BGNWSBWUAZUQPV-QRWLVFNGSA-N	1	1	455.028	2.425	20	30		JEEDMO
CSc1nc(Cl)c(C=NO)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1	ZINC001164812149	720216322	/nfs/dbraw/zinc/21/63/22/720216322.db2.gz	FITXKELYNHMHTC-UHFFFAOYSA-N	1	1	451.984	2.467	20	30		JEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164752840	720854133	/nfs/dbraw/zinc/85/41/33/720854133.db2.gz	UTHGSKCFUKZQIT-PLACYPQZSA-N	1	1	478.601	2.396	20	30		JEEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccnc4[C@@H](C#N)C(=O)OC(C)(C)C)C3)O2)CC1	ZINC001164896102	721443376	/nfs/dbraw/zinc/44/33/76/721443376.db2.gz	QLTRAFDJCXJTKE-WZOHSFFVSA-N	1	1	470.618	2.191	20	30		JEEDMO
C[NH+]1CCC(Oc2ccnc(N3CCOC[C@]4(CN(c5ccc(C#N)cc5)C(=O)CO4)C3)c2)CC1	ZINC001164694803	719783711	/nfs/dbraw/zinc/78/37/11/719783711.db2.gz	HNKNDNRNQUDJOL-AREMUKBSSA-N	1	1	477.565	2.065	20	30		JEEDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(COc4ccc(CC#N)cc4)cn3)C2)C1	ZINC001164720722	720290437	/nfs/dbraw/zinc/29/04/37/720290437.db2.gz	CMCVOYFMDJNGTC-AREMUKBSSA-N	1	1	463.582	2.391	20	30		JEEDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(COc4ccc(CC#N)cc4)cn3)C2)C1	ZINC001164720722	720290451	/nfs/dbraw/zinc/29/04/51/720290451.db2.gz	CMCVOYFMDJNGTC-AREMUKBSSA-N	1	1	463.582	2.391	20	30		JEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164737506	720723863	/nfs/dbraw/zinc/72/38/63/720723863.db2.gz	CBSCHOLJRZEQLX-CABCVRRESA-N	1	1	478.887	2.460	20	30		JEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164737506	720723870	/nfs/dbraw/zinc/72/38/70/720723870.db2.gz	CBSCHOLJRZEQLX-CABCVRRESA-N	1	1	478.887	2.460	20	30		JEEDMO
Cc1ccc([C@@H](C#N)c2ccc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nn2)cc1	ZINC001164873248	721264145	/nfs/dbraw/zinc/26/41/45/721264145.db2.gz	HDGCFSRFBAPMPY-JOCHJYFZSA-N	1	1	462.598	2.448	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164895767	721435313	/nfs/dbraw/zinc/43/53/13/721435313.db2.gz	PHWILFUIVQBMEB-XMERXJNXSA-N	1	1	478.597	2.175	20	30		JEEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccnc4[C@H](C#N)C(=O)OC(C)(C)C)C3)O2)CC1	ZINC001164896104	721443601	/nfs/dbraw/zinc/44/36/01/721443601.db2.gz	QLTRAFDJCXJTKE-ZYLNGJIFSA-N	1	1	470.618	2.191	20	30		JEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc([C@@H](C#N)c4ccccc4F)nn2)CC3)CC1	ZINC001164997170	722235605	/nfs/dbraw/zinc/23/56/05/722235605.db2.gz	NDBZRVDWQQVMJV-FQEVSTJZSA-N	1	1	458.545	2.418	20	30		JEEDMO
N#CC(c1nc2ccccc2nc1N1CCN2CC[NH2+]C[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1	ZINC001164403434	718839148	/nfs/dbraw/zinc/83/91/48/718839148.db2.gz	ITQQSUJWMNUVEL-DYESRHJHSA-N	1	1	482.997	2.416	20	30		JEEDMO
N#CC(c1nc2ccccc2nc1N1CCN2CC[NH2+]C[C@H]2C1)S(=O)(=O)c1ccc(Cl)cc1	ZINC001164403437	718839227	/nfs/dbraw/zinc/83/92/27/718839227.db2.gz	ITQQSUJWMNUVEL-UWJYYQICSA-N	1	1	482.997	2.416	20	30		JEEDMO
N#CC(c1nc2ccccc2nc1N1CCN2CC[NH2+]C[C@H]2C1)S(=O)(=O)c1ccc(Cl)cc1	ZINC001164403435	718839244	/nfs/dbraw/zinc/83/92/44/718839244.db2.gz	ITQQSUJWMNUVEL-LAUBAEHRSA-N	1	1	482.997	2.416	20	30		JEEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)CCC2	ZINC001164812708	720241658	/nfs/dbraw/zinc/24/16/58/720241658.db2.gz	HQMGDADHZYQLGU-GOSISDBHSA-N	1	1	467.574	2.233	20	30		JEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164737507	720726248	/nfs/dbraw/zinc/72/62/48/720726248.db2.gz	CBSCHOLJRZEQLX-GJZGRUSLSA-N	1	1	478.887	2.460	20	30		JEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164737507	720726255	/nfs/dbraw/zinc/72/62/55/720726255.db2.gz	CBSCHOLJRZEQLX-GJZGRUSLSA-N	1	1	478.887	2.460	20	30		JEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164879036	721168757	/nfs/dbraw/zinc/16/87/57/721168757.db2.gz	RLEKAZFTNPIQEM-VAMGGRTRSA-N	1	1	450.543	2.300	20	30		JEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164879038	721169732	/nfs/dbraw/zinc/16/97/32/721169732.db2.gz	RLEKAZFTNPIQEM-XUVXKRRUSA-N	1	1	450.543	2.300	20	30		JEEDMO
COc1cc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(C#N)c(Cl)n1	ZINC001164872459	721278172	/nfs/dbraw/zinc/27/81/72/721278172.db2.gz	DLQJZFBUDWFYEG-UHFFFAOYSA-N	1	1	471.936	2.167	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164872786	721147254	/nfs/dbraw/zinc/14/72/54/721147254.db2.gz	IJUBFSWGPMDUMC-SLFFLAALSA-N	1	1	458.522	2.285	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164872781	721147659	/nfs/dbraw/zinc/14/76/59/721147659.db2.gz	IJUBFSWGPMDUMC-HSALFYBXSA-N	1	1	458.522	2.285	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2	ZINC001164895764	721435615	/nfs/dbraw/zinc/43/56/15/721435615.db2.gz	PHWILFUIVQBMEB-KYTVRQNUSA-N	1	1	478.597	2.175	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2	ZINC001164895765	721435894	/nfs/dbraw/zinc/43/58/94/721435894.db2.gz	PHWILFUIVQBMEB-OUDXUNEISA-N	1	1	478.597	2.175	20	30		JEEDMO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1	ZINC001164996249	722235415	/nfs/dbraw/zinc/23/54/15/722235415.db2.gz	AGUJHIMSPDYRRJ-UHFFFAOYSA-N	1	1	478.673	2.244	20	30		JEEDMO
N#CC(c1nc2ccccc2nc1N1CCN2CC[NH2+]C[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1	ZINC001164403436	718839302	/nfs/dbraw/zinc/83/93/02/718839302.db2.gz	ITQQSUJWMNUVEL-UTKZUKDTSA-N	1	1	482.997	2.416	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748747	720848042	/nfs/dbraw/zinc/84/80/42/720848042.db2.gz	UUJHPNORJAALCK-XFGYDDDFSA-N	1	1	486.580	2.381	20	30		JEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc([C@H](C#N)c4ccccc4F)nn2)CC3)CC1	ZINC001164997171	722235290	/nfs/dbraw/zinc/23/52/90/722235290.db2.gz	NDBZRVDWQQVMJV-HXUWFJFHSA-N	1	1	458.545	2.418	20	30		JEEDMO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164742317	720727363	/nfs/dbraw/zinc/72/73/63/720727363.db2.gz	OBNJFDPUQGTIFP-RBUKOAKNSA-N	1	1	451.603	2.229	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164872789	721146764	/nfs/dbraw/zinc/14/67/64/721146764.db2.gz	IJUBFSWGPMDUMC-VAMGGRTRSA-N	1	1	458.522	2.285	20	30		JEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164737509	720726395	/nfs/dbraw/zinc/72/63/95/720726395.db2.gz	CBSCHOLJRZEQLX-LSDHHAIUSA-N	1	1	478.887	2.460	20	30		JEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164737509	720726402	/nfs/dbraw/zinc/72/64/02/720726402.db2.gz	CBSCHOLJRZEQLX-LSDHHAIUSA-N	1	1	478.887	2.460	20	30		JEEDMO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164742315	720728040	/nfs/dbraw/zinc/72/80/40/720728040.db2.gz	OBNJFDPUQGTIFP-OALUTQOASA-N	1	1	451.603	2.229	20	30		JEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164879035	721169264	/nfs/dbraw/zinc/16/92/64/721169264.db2.gz	RLEKAZFTNPIQEM-SLFFLAALSA-N	1	1	450.543	2.300	20	30		JEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164879029	721169961	/nfs/dbraw/zinc/16/99/61/721169961.db2.gz	RLEKAZFTNPIQEM-HSALFYBXSA-N	1	1	450.543	2.300	20	30		JEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)CC2)C1	ZINC001164872955	721278428	/nfs/dbraw/zinc/27/84/28/721278428.db2.gz	JSIDGEIPRJPRKU-FQEVSTJZSA-N	1	1	466.561	2.278	20	30		JEEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164884972	721396317	/nfs/dbraw/zinc/39/63/17/721396317.db2.gz	BGNWSBWUAZUQPV-YWZLYKJASA-N	1	1	455.028	2.425	20	30		JEEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164884969	721396643	/nfs/dbraw/zinc/39/66/43/721396643.db2.gz	BGNWSBWUAZUQPV-FOIQADDNSA-N	1	1	455.028	2.425	20	30		JEEDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C2)C1	ZINC001164718694	720253098	/nfs/dbraw/zinc/25/30/98/720253098.db2.gz	HDYDUBQYZRPEAW-HSZRJFAPSA-N	1	1	472.952	2.473	20	30		JEEDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C2)C1	ZINC001164718694	720253108	/nfs/dbraw/zinc/25/31/08/720253108.db2.gz	HDYDUBQYZRPEAW-HSZRJFAPSA-N	1	1	472.952	2.473	20	30		JEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)CC2)C1	ZINC001164872956	721278849	/nfs/dbraw/zinc/27/88/49/721278849.db2.gz	JSIDGEIPRJPRKU-HXUWFJFHSA-N	1	1	466.561	2.278	20	30		JEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)C1	ZINC001164877393	721292133	/nfs/dbraw/zinc/29/21/33/721292133.db2.gz	MSAYRQALYPHRLF-UHFFFAOYSA-N	1	1	452.515	2.022	20	30		JEEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)CCC2	ZINC001164812711	720241549	/nfs/dbraw/zinc/24/15/49/720241549.db2.gz	HQMGDADHZYQLGU-SFHVURJKSA-N	1	1	467.574	2.233	20	30		JEEDMO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164742320	720727995	/nfs/dbraw/zinc/72/79/95/720727995.db2.gz	OBNJFDPUQGTIFP-RTBURBONSA-N	1	1	451.603	2.229	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748742	720847666	/nfs/dbraw/zinc/84/76/66/720847666.db2.gz	UUJHPNORJAALCK-GLHSZLCASA-N	1	1	486.580	2.381	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748733	720847955	/nfs/dbraw/zinc/84/79/55/720847955.db2.gz	UUJHPNORJAALCK-DZCCDHAISA-N	1	1	486.580	2.381	20	30		JEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164752829	720854056	/nfs/dbraw/zinc/85/40/56/720854056.db2.gz	UTHGSKCFUKZQIT-DOIPELPJSA-N	1	1	478.601	2.396	20	30		JEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164752847	720854002	/nfs/dbraw/zinc/85/40/02/720854002.db2.gz	UTHGSKCFUKZQIT-XRXFAXGQSA-N	1	1	478.601	2.396	20	30		JEEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164884970	721396585	/nfs/dbraw/zinc/39/65/85/721396585.db2.gz	BGNWSBWUAZUQPV-MGPUTAFESA-N	1	1	455.028	2.425	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748745	720847580	/nfs/dbraw/zinc/84/75/80/720847580.db2.gz	UUJHPNORJAALCK-VLVHOKLOSA-N	1	1	486.580	2.381	20	30		JEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164752844	720853863	/nfs/dbraw/zinc/85/38/63/720853863.db2.gz	UTHGSKCFUKZQIT-UWHLTILDSA-N	1	1	478.601	2.396	20	30		JEEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccnc4[C@@H](C#N)C(=O)OC(C)(C)C)C3)O2)CC1	ZINC001164896089	721443553	/nfs/dbraw/zinc/44/35/53/721443553.db2.gz	QLTRAFDJCXJTKE-DFIYOIEZSA-N	1	1	470.618	2.191	20	30		JEEDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C2)C1	ZINC001164718695	720254677	/nfs/dbraw/zinc/25/46/77/720254677.db2.gz	HDYDUBQYZRPEAW-QHCPKHFHSA-N	1	1	472.952	2.473	20	30		JEEDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C2)C1	ZINC001164718695	720254689	/nfs/dbraw/zinc/25/46/89/720254689.db2.gz	HDYDUBQYZRPEAW-QHCPKHFHSA-N	1	1	472.952	2.473	20	30		JEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164737508	720725666	/nfs/dbraw/zinc/72/56/66/720725666.db2.gz	CBSCHOLJRZEQLX-HUUCEWRRSA-N	1	1	478.887	2.460	20	30		JEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164737508	720725672	/nfs/dbraw/zinc/72/56/72/720725672.db2.gz	CBSCHOLJRZEQLX-HUUCEWRRSA-N	1	1	478.887	2.460	20	30		JEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164872791	721148220	/nfs/dbraw/zinc/14/82/20/721148220.db2.gz	IJUBFSWGPMDUMC-XUVXKRRUSA-N	1	1	458.522	2.285	20	30		JEEDMO
Cc1ccc([C@H](C#N)c2ccc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nn2)cc1	ZINC001164873252	721264423	/nfs/dbraw/zinc/26/44/23/721264423.db2.gz	HDGCFSRFBAPMPY-QFIPXVFZSA-N	1	1	462.598	2.448	20	30		JEEDMO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164873592	721278678	/nfs/dbraw/zinc/27/86/78/721278678.db2.gz	OXLDGIXFKMDHCD-UHFFFAOYSA-N	1	1	486.689	2.104	20	30		JEEDMO