smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc([O-])c(/N=C/c2ccc(Cl)cc2Cl)c1	ZINC000000050590	567905877	/nfs/dbraw/zinc/90/58/77/567905877.db2.gz	MIMNUYOAEANRPK-GIJQJNRQSA-N	-1	3	294.181	5.012	50	30		CKEAHM
Cc1ccc(/N=C/c2c([O-])cc(C)c(Cl)c2C)c(C)c1	ZINC000000061767	570251517	/nfs/dbraw/zinc/25/15/17/570251517.db2.gz	UEQMFNHQQWBUIF-DJKKODMXSA-N	-1	3	287.790	5.030	50	30		CKEAHM
Cc1ccc(/N=C/c2c([O-])cc(C)c(Cl)c2C)cc1C	ZINC000000226387	570264460	/nfs/dbraw/zinc/26/44/60/570264460.db2.gz	UVYOVBUXMUAVMD-DJKKODMXSA-N	-1	3	287.790	5.030	50	30		CKEAHM
Cc1cc([O-])c(/C=N/c2ccc(Cl)cc2)c(C)c1Cl	ZINC000000226394	570264600	/nfs/dbraw/zinc/26/46/00/570264600.db2.gz	AUIRMMIVFLBEBD-QGMBQPNBSA-N	-1	3	294.181	5.066	50	30		CKEAHM
Cc1cc([O-])c(/C=N/c2ccccc2Cl)c(C)c1Cl	ZINC000000226418	169580397	/nfs/dbraw/zinc/58/03/97/169580397.db2.gz	RMSAFAOBQMLTDD-QGMBQPNBSA-N	-1	3	294.181	5.066	50	30		CKEAHM
Cc1ccc(C)c(/N=C/c2c([O-])cc(C)c(Cl)c2C)c1	ZINC000000226433	570264541	/nfs/dbraw/zinc/26/45/41/570264541.db2.gz	NAVYIRUNJJOOSE-DJKKODMXSA-N	-1	3	287.790	5.030	50	30		CKEAHM
CCc1ccc([O-])c(/N=C/c2ccc(Cl)c(Cl)c2)c1	ZINC000000226496	169580207	/nfs/dbraw/zinc/58/02/07/169580207.db2.gz	MXUOGBARLXBXKP-GIJQJNRQSA-N	-1	3	294.181	5.012	50	30		CKEAHM
[O-]c1ccccc1/C=N/c1ccc2c(c1)oc1ccccc12	ZINC000000325743	567875384	/nfs/dbraw/zinc/87/53/84/567875384.db2.gz	VVBSVUJQQVRPHO-UDWIEESQSA-N	-1	3	287.318	5.042	50	30		CKEAHM
CC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1[O-]	ZINC000000384789	567828303	/nfs/dbraw/zinc/82/83/03/567828303.db2.gz	OEPDAGGYXJMJIE-UDWIEESQSA-N	-1	3	281.399	5.390	50	30		CKEAHM
CC(C)(C)c1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000001045819	567835754	/nfs/dbraw/zinc/83/57/54/567835754.db2.gz	NFUCUSDBLCFYLE-YBFXNURJSA-N	-1	3	287.790	5.094	50	30		CKEAHM
Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1C1CCCCC1	ZINC000001096837	567836224	/nfs/dbraw/zinc/83/62/24/567836224.db2.gz	SEDOXZRJTBROJT-DEDYPNTBSA-N	-1	3	296.414	5.066	50	30		CKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1cccc2ccccc21	ZINC000001104493	567836200	/nfs/dbraw/zinc/83/62/00/567836200.db2.gz	CFVMLACBKWKHEP-HYARGMPZSA-N	-1	3	297.357	5.449	50	30		CKEAHM
Cc1cc(C)c(/N=C/c2c([O-])ccc3ccccc32)c(C)c1	ZINC000001105004	227349837	/nfs/dbraw/zinc/34/98/37/227349837.db2.gz	OOAPMJKDWQFKMU-CIAFOILYSA-N	-1	3	289.378	5.221	50	30		CKEAHM
Cc1ccc(/N=C/c2c([O-])ccc3ccccc23)cc1Cl	ZINC000002160226	567844853	/nfs/dbraw/zinc/84/48/53/567844853.db2.gz	LYHMECVACVGLBT-RGVLZGJSSA-N	-1	3	295.769	5.258	50	30		CKEAHM
[O-]c1cccc(/N=C/c2c3ccccc3cc3ccccc32)c1	ZINC000002162239	566912180	/nfs/dbraw/zinc/91/21/80/566912180.db2.gz	SPMBOHYRYKWQEY-HYARGMPZSA-N	-1	3	297.357	5.449	50	30		CKEAHM
[O-]c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1	ZINC000002163903	169778112	/nfs/dbraw/zinc/77/81/12/169778112.db2.gz	VCUGRJGFYONFQV-HYARGMPZSA-N	-1	3	297.357	5.449	50	30		CKEAHM
CCCCCCOc1ccc(/C=N/c2ccc([O-])cc2)cc1	ZINC000002584471	570218068	/nfs/dbraw/zinc/21/80/68/570218068.db2.gz	JRNVBZKAQTXOMH-HMMYKYKNSA-N	-1	3	297.398	5.102	50	30		CKEAHM
[O-]c1ccccc1/C=N/c1ccc(/C=C/c2ccccc2)cc1	ZINC000004016508	567854660	/nfs/dbraw/zinc/85/46/60/567854660.db2.gz	AZEISWUTDOSHAT-YYMYKZPXSA-N	-1	3	299.373	5.313	50	30		CKEAHM
[O-]c1c(/C=N/c2ccc(F)c(Cl)c2)ccc2ccccc12	ZINC000004576253	567871324	/nfs/dbraw/zinc/87/13/24/567871324.db2.gz	OOXYMJXESMOHRJ-KEBDBYFISA-N	-1	3	299.732	5.089	50	30		CKEAHM
CCc1cccc(C)c1/N=C/c1ccc2ccccc2c1[O-]	ZINC000004616963	570239111	/nfs/dbraw/zinc/23/91/11/570239111.db2.gz	RQEQUWFFBJUOAI-FYJGNVAPSA-N	-1	3	289.378	5.167	50	30		CKEAHM
[O-]c1ccc(/N=C/c2sc3ccccc3c2Cl)cc1	ZINC000013118203	567864721	/nfs/dbraw/zinc/86/47/21/567864721.db2.gz	LJJDNVLRFSTAGH-RQZCQDPDSA-N	-1	3	287.771	5.011	50	30		CKEAHM
CCCCCCCc1ccc(-c2ccc([O-])c(F)c2)nc1	ZINC000033353039	567907666	/nfs/dbraw/zinc/90/76/66/567907666.db2.gz	XQQMUFHFCIZKEI-UHFFFAOYSA-N	-1	3	287.378	5.106	50	30		CKEAHM
CCCCCCCC/C=C\CCCCCCCC(=O)N[O-]	ZINC000043649670	175085548	/nfs/dbraw/zinc/08/55/48/175085548.db2.gz	LTXHELLMCCEDJG-KTKRTIGZSA-N	-1	3	297.483	5.529	50	30	in-vitro	CKEAHM
CCCCc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000044835772	175262365	/nfs/dbraw/zinc/26/23/65/175262365.db2.gz	CDZGUQQPABFTAF-XDHOZWIPSA-N	-1	3	287.790	5.139	50	30		CKEAHM
CCCCCCCC/C=C/CCCCCCCC(=O)N[O-]	ZINC000097943437	528120987	/nfs/dbraw/zinc/12/09/87/528120987.db2.gz	LTXHELLMCCEDJG-MDZDMXLPSA-N	-1	3	297.483	5.529	50	30		CKEAHM
Cc1c(Cl)cccc1/N=C/c1c([O-])ccc2ccccc12	ZINC000100003658	185701099	/nfs/dbraw/zinc/70/10/99/185701099.db2.gz	UQPWYKVHTMCVFB-RGVLZGJSSA-N	-1	3	295.769	5.258	50	30		CKEAHM
CC(C)c1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000100081791	567912123	/nfs/dbraw/zinc/91/21/23/567912123.db2.gz	HIMVFGDTDCXDEH-FYJGNVAPSA-N	-1	3	289.378	5.419	50	30		CKEAHM
Cc1ccc(Cl)cc1/N=C/c1c([O-])ccc2ccccc12	ZINC000100103155	570298992	/nfs/dbraw/zinc/29/89/92/570298992.db2.gz	OYTGFKFIGVCBML-RGVLZGJSSA-N	-1	3	295.769	5.258	50	30		CKEAHM
CCCCCCCCC/C(=N\[O-])c1cc(C)ccc1O	ZINC000100166369	567912354	/nfs/dbraw/zinc/91/23/54/567912354.db2.gz	ZEOXTTGAOFTAKT-FBMGVBCBSA-N	-1	3	277.408	5.020	50	30		CKEAHM
CCCCCCCCCCC/C(=N\[O-])c1ccccc1	ZINC000100166635	567217920	/nfs/dbraw/zinc/21/79/20/567217920.db2.gz	XEZBCLIXGWYGFX-VHEBQXMUSA-N	-1	3	275.436	5.786	50	30		CKEAHM
CC(C)c1ccccc1/N=C/c1c([O-])ccc2ccccc21	ZINC000100248302	528189285	/nfs/dbraw/zinc/18/92/85/528189285.db2.gz	DAAGFIDTCQPUJC-FYJGNVAPSA-N	-1	3	289.378	5.419	50	30		CKEAHM
CCCCCCCCCCCC(=O)Nc1ccccc1[O-]	ZINC000100733715	567913749	/nfs/dbraw/zinc/91/37/49/567913749.db2.gz	JVPXWUMYBAHBQD-UHFFFAOYSA-N	-1	3	291.435	5.252	50	30		CKEAHM
[O-]c1ccccc1/N=C/c1sc2ccccc2c1Cl	ZINC000100830413	567939150	/nfs/dbraw/zinc/93/91/50/567939150.db2.gz	DKURWBHBLPEHHW-RQZCQDPDSA-N	-1	3	287.771	5.011	50	30		CKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc2ccccc2c1	ZINC000101671877	567914907	/nfs/dbraw/zinc/91/49/07/567914907.db2.gz	VDSRBJZXQATJGL-HYARGMPZSA-N	-1	3	297.357	5.449	50	30		CKEAHM
CCCCCCCCCC/N=C(/C)c1ccccc1[O-]	ZINC000102314031	567218740	/nfs/dbraw/zinc/21/87/40/567218740.db2.gz	YXKAKQPLJOTGFE-MNDPQUGUSA-N	-1	3	275.436	5.342	50	30		CKEAHM
CCCCCCCCCCOc1ccc(C(C)=N[O-])cc1	ZINC000252363635	570374145	/nfs/dbraw/zinc/37/41/45/570374145.db2.gz	RPRQEVNYLBYVRS-UHFFFAOYSA-N	-1	3	291.435	5.404	50	30		CKEAHM
Cc1c(Cl)cccc1N=Cc1c([O-])ccc2ccccc12	ZINC000252438300	566972598	/nfs/dbraw/zinc/97/25/98/566972598.db2.gz	UQPWYKVHTMCVFB-UHFFFAOYSA-N	-1	3	295.769	5.258	50	30		CKEAHM
CC(C)c1cccc(C(C)C)c1N=Cc1ccccc1[O-]	ZINC000252622874	567068284	/nfs/dbraw/zinc/06/82/84/567068284.db2.gz	OEPDAGGYXJMJIE-UHFFFAOYSA-N	-1	3	281.399	5.390	50	30		CKEAHM
CSc1ccc(N=Cc2c([O-])ccc3ccccc32)cc1	ZINC000254395381	567033219	/nfs/dbraw/zinc/03/32/19/567033219.db2.gz	JBUHGJTZBUMRSR-UHFFFAOYSA-N	-1	3	293.391	5.018	50	30		CKEAHM
[O-]c1ccc2ccccc2c1C=Nc1cccc2ccccc21	ZINC000254500545	567100550	/nfs/dbraw/zinc/10/05/50/567100550.db2.gz	CFVMLACBKWKHEP-UHFFFAOYSA-N	-1	3	297.357	5.449	50	30		CKEAHM
CCC(=N[O-])c1ccc2c(cc(Cl)c3ccccc32)c1	ZINC000254716360	567100793	/nfs/dbraw/zinc/10/07/93/567100793.db2.gz	ZPICMZXTKCKZNV-UHFFFAOYSA-N	-1	3	283.758	5.235	50	30		CKEAHM
Cc1cc(Cl)ccc1N=Cc1c([O-])ccc2ccccc12	ZINC000254752684	567099023	/nfs/dbraw/zinc/09/90/23/567099023.db2.gz	NFAGAAJKIGOLTI-UHFFFAOYSA-N	-1	3	295.769	5.258	50	30		CKEAHM
Cc1ccc(N=Cc2c([O-])ccc3ccccc23)cc1Cl	ZINC000254846503	328757957	/nfs/dbraw/zinc/75/79/57/328757957.db2.gz	LYHMECVACVGLBT-UHFFFAOYSA-N	-1	3	295.769	5.258	50	30		CKEAHM
Cc1ccc(Cl)cc1N=Cc1c([O-])ccc2ccccc12	ZINC000257357583	570384274	/nfs/dbraw/zinc/38/42/74/570384274.db2.gz	OYTGFKFIGVCBML-UHFFFAOYSA-N	-1	3	295.769	5.258	50	30		CKEAHM