smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CS(=O)(=O)N1CCC(CS(=O)(=O)Cl)CC1	97972442	AHEYASLLVRLEDN-UHFFFAOYSA-N	275.779	0.227	70	40	CCIB	
CCN1CCN(CCCS(=O)(=O)Cl)CC1	110752638	KKMGOKRVZZKKPB-UHFFFAOYSA-N	254.783	0.583	70	40	CCIB	
CNC(=O)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1	217516935	XPZQIJUSYQHPQX-CQSZACIVSA-N	292.360	0.971	70	40	CCIB	
CN1CCC[C@H](C(=O)N2CCC(C(N)=O)CC2)C1	216907783	UWCMFRQAYILOMA-NSHDSACASA-N	253.346	0.052	70	40	CCIB	
CCCn1ncc(S(=O)(=O)Cl)c1C(=O)O	103694769	RCTFRECIMYSTQN-UHFFFAOYSA-N	252.679	0.919	70	40	CCIB	
CC1(C)N=C(N)N=C(N)N1c1cccc(S(=O)(=O)F)c1	43599240	FSBZMGYFJMWXNC-UHFFFAOYSA-N	299.331	0.530	70	40	CCIB	
Cn1cc(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)nn1	217577896	XYLOTWJIBKTLLL-OAHLLOKOSA-N	286.335	0.843	70	40	CCIB	
Cc1cccc(OC[C@@H]2CN(CC(N)=O)CCO2)c1	217489370	DKXCXMZJHKTYQD-ZDUSSCGKSA-N	264.325	0.560	70	40	CCIB	
NS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1	100574782	IGVWYUALKQYYRU-UHFFFAOYSA-N	290.149	0.915	70	40	CCIB	
Cn1nnc(-c2cccc(S(=O)(=O)Cl)c2)n1	100222659	JEEGNPZLYORZRV-UHFFFAOYSA-N	258.690	0.805	70	40	CCIB	
O=c1c2cnccc2ncn1CCCS(=O)(=O)Cl	110752719	GFPKCRCVMMYYIP-UHFFFAOYSA-N	287.728	0.750	70	40	CCIB	
Cc1cc(C(=O)N2CC(N3C(=O)CSC3=O)C2)n(C)n1	217748069	AZAQZRWVNJNTEX-UHFFFAOYSA-N	294.336	0.248	70	40	CCIB	
COC(=O)[C@@H]1CN(CCCN2CCCCC2)CCO1	161328955	BOQJXGQNUTVGMH-ZDUSSCGKSA-N	270.373	0.736	70	40	CCIB	
Cc1noc(C)c1CC(=O)N1CC[C@H](n2ccnn2)C1	217687680	NJUIJMUSNUUJSI-NSHDSACASA-N	275.312	0.899	70	40	CCIB	
O=c1c2ccccc2ncn1CCS(=O)(=O)F	100562969	UPXFUDMPGUKCKT-UHFFFAOYSA-N	256.258	0.696	70	40	CCIB	
CS(=O)(=O)N(CC(=N)N)Cc1ccc(F)cc1	217757775	TXTVDWPJLGKMKR-UHFFFAOYSA-N	259.306	0.523	70	40	CCIB	
COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1cc(C)on1	217601136	OOPDVEFMOBLGDL-WPRPVWTQSA-N	268.269	0.386	70	40	CCIB	
COc1ccc(N(CC(=N)N)S(C)(=O)=O)cc1	217348193	QUHYADOBPFJERT-UHFFFAOYSA-N	257.315	0.397	70	40	CCIB	
O=C(C1CC1)N1CC[C@H](N2C(=O)CSC2=O)C1	217780270	FARIJQOCMPVBNN-QMMMGPOBSA-N	254.311	0.693	70	40	CCIB	
CS(=O)(=O)Nc1cnn(CC2CCOCC2)c1	218239230	QYXGRSXMTLOXNZ-UHFFFAOYSA-N	259.331	0.681	70	40	CCIB	
O=S(=O)(Cl)OO/C=C\OOS(=O)(=O)Cl	104088807	FBDHISNBRYPBTQ-UPHRSURJSA-N	289.070	0.321	70	40	CCIB	
NC(=O)CN1CCO[C@H](COc2cccc(F)c2)C1	217487058	VAUBLQJWBYIFJI-LBPRGKRZSA-N	268.288	0.391	70	40	CCIB	
CNS(=O)(=O)c1cc(S(=O)(=O)Cl)ccc1C	100642031	JFUYHNKPDDCOPO-UHFFFAOYSA-N	283.758	0.831	70	40	CCIB	
Cc1cccc(C)c1OC[C@H]1CN(CC(N)=O)CCO1	217494155	IDKNIHRTKVPBRJ-CYBMUJFWSA-N	278.352	0.868	70	40	CCIB	
O=S1(=O)CC=C(S(=O)(=O)Br)C1	100841839	IWEGZJKKBTXIQZ-UHFFFAOYSA-N	261.118	0.023	70	40	CCIB	
Cc1cccc(C)c1OC[C@@H]1CN(CC(N)=O)CCO1	217494073	IDKNIHRTKVPBRJ-ZDUSSCGKSA-N	278.352	0.868	70	40	CCIB	
Cn1cc(C(=O)NC[C@](O)(c2ccccc2)C2CC2)nn1	217577983	XYLOTWJIBKTLLL-HNNXBMFYSA-N	286.335	0.843	70	40	CCIB	
O=C(c1cnccn1)N1CC(Oc2nccs2)C1	218766088	ZPCIOLWFXBUOJU-UHFFFAOYSA-N	262.294	0.837	70	40	CCIB	
Cn1cc(C(=O)NC[C@@H](O)Cc2ccccc2)nn1	217573361	YPGAFPQMIKBSEP-NSHDSACASA-N	260.297	0.149	70	40	CCIB	
COCc1nn(CCF)cc1S(=O)(=O)Cl	408715504	UGQWUFHDDSINEH-UHFFFAOYSA-N	256.686	0.927	70	40	CCIB	
Cc1noc(-c2cn(CCNC(=O)c3cccnc3)nn2)n1	217466551	XUZDHTJOYMCBCE-UHFFFAOYSA-N	299.294	0.462	70	40	CCIB	
CCn1c(=O)oc(=O)c2cc(S(=O)(=O)Cl)ccc21	100648353	QBBKBMNAHGGJMU-UHFFFAOYSA-N	289.696	0.902	70	40	CCIB	
O=C1NCCN1C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2	217584708	JRSRMCRYERZKQS-LLVKDONJSA-N	291.307	0.390	70	40	CCIB	
CCC(CC)N1C[C@@H](C(=O)NC2(CO)CC2)CC1=O	160187992	GGCKRZZCFZBCCU-JTQLQIEISA-N	268.357	0.665	70	40	CCIB	
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)s1	100632867	IZGUQXWCBSTQSM-UHFFFAOYSA-N	289.787	0.926	70	40	CCIB	
CN1CCC(C(=O)NCCCN2CCCC2)CC1	216922299	MPTZHJMBOAJQFP-UHFFFAOYSA-N	253.390	0.930	70	40	CCIB	
COc1cccc(OC[C@@H]2CN(CC(N)=O)CCO2)c1	217491740	QAWKNBJHHCTMRR-ZDUSSCGKSA-N	280.324	0.260	70	40	CCIB	
COCc1cc(OS(=O)(=O)C(F)(F)F)n(C)n1	575423845	RWEZFMBQXYUDEZ-UHFFFAOYSA-N	274.220	0.795	70	40	CCIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1ncn[nH]1	218232549	RRJYNSGZZKJIHK-UHFFFAOYSA-N	276.300	0.680	70	40	CCIB	
NC(=O)c1c(F)ccc(S(=O)(=O)Cl)c1F	108311296	DRPICGXMVUYLDD-UHFFFAOYSA-N	255.629	0.991	70	40	CCIB	
CCCc1c(S(=O)(=O)Cl)c(C(=O)O)nn1C	103635742	PIQCPABVQCBTFT-UHFFFAOYSA-N	266.706	0.998	70	40	CCIB	
NC(=O)CN1CCO[C@@H](COc2cccc(F)c2)C1	217486971	VAUBLQJWBYIFJI-GFCCVEGCSA-N	268.288	0.391	70	40	CCIB	
O=C1[C@@H]2[C@@]34C=CC=C[C@@]23[C@@H](C=C4)N1S(=O)(=O)Cl	104280900	PCFDZBGMSCESMU-DEKFOEGESA-N	269.709	0.979	70	40	CCIB	
COc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Cl	104228200	SXWXMPVLDVTIQK-UHFFFAOYSA-N	262.674	0.792	70	40	CCIB	
O=c1c2ccsc2ncn1CCS(=O)(=O)F	100563056	RDQUDPQNZYYJOI-UHFFFAOYSA-N	262.287	0.757	70	40	CCIB	
O=C1CC[C@H](C(=O)Nc2cnn(CC3CCOCC3)c2)N1	218197126	HCPVSGNMNIUVKS-GFCCVEGCSA-N	292.339	0.527	70	40	CCIB	
CCOC(=O)c1cnn(C)c1S(=O)(=O)Cl	100048074	BXPQVOSHELHKSE-UHFFFAOYSA-N	252.679	0.524	70	40	CCIB	
COC[C@@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217381287	YFEVISBLYMKCHH-XQQFMLRXSA-N	278.352	0.275	70	40	CCIB	
COc1cc(OC)cc(OCC(=O)N2CCN(C)CC2)c1	217010388	ANDNIHXURVGFJV-UHFFFAOYSA-N	294.351	0.857	70	40	CCIB	
NS(=O)(=O)c1cc(S(=O)(=O)Cl)ccc1Cl	72399590	CADAUKUITLKLMI-UHFFFAOYSA-N	290.149	0.915	70	40	CCIB	in-vitro
O=S(=O)(Cl)c1ccc(F)c(-c2nnn[nH]2)c1	100506683	XHZOUUXCUIAFSF-UHFFFAOYSA-N	262.653	0.933	70	40	CCIB	
Cn1cnc(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)c1	218762174	YPXZILSITCVYFK-UWVGGRQHSA-N	253.327	0.902	70	40	CCIB	
CCS(=O)(=O)N(CC(=N)N)c1cccc(F)c1	217349079	ODSRGVUGMYIQGT-UHFFFAOYSA-N	259.306	0.918	70	40	CCIB	
O=S(=O)(Cl)OO/C=C/OOS(=O)(=O)Cl	104088810	FBDHISNBRYPBTQ-OWOJBTEDSA-N	289.070	0.321	70	40	CCIB	
CCc1c(S(=O)(=O)Cl)c(C(=O)O)nn1C	103635731	ZBBBUMDCBCMKBL-UHFFFAOYSA-N	252.679	0.608	70	40	CCIB	
CS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCN2)cc1	161001160	TULQEMILMPHRPX-ZDUSSCGKSA-N	296.392	0.501	70	40	CCIB	
O=C(C1CC1)N1CC[C@@H](N2C(=O)CSC2=O)C1	217780366	FARIJQOCMPVBNN-MRVPVSSYSA-N	254.311	0.693	70	40	CCIB	
CCn1nc(C(=O)OC)cc1S(=O)(=O)Cl	100020643	YIPZCIVVMXJKGO-UHFFFAOYSA-N	252.679	0.617	70	40	CCIB	
CN1CCC(C(=O)NCCCN2CCN(C)CC2)CC1	216922331	RZDLRSPAWNIYHS-UHFFFAOYSA-N	282.432	0.082	70	40	CCIB	
O=CN(Cc1ccccc1)[C@@H]1C=CS(=O)(=O)C1	217409585	HBFADDMAWFWXGD-GFCCVEGCSA-N	251.307	0.956	70	40	CCIB	
O=C(C1CCC1)N1Cc2cnc(N3CCOCC3)nc2C1	217605211	PBEIGUCCXFCFRL-UHFFFAOYSA-N	288.351	0.956	70	40	CCIB	
COc1ccc(OC[C@@H]2CN(CC(N)=O)CCO2)cc1	217492549	IYQWIPWLHZTBEI-ZDUSSCGKSA-N	280.324	0.260	70	40	CCIB	
O=C(c1ccncc1)N1CC[C@H](N2C(=O)CSC2=O)C1	217780671	UNJXAFUMCZLYBK-JTQLQIEISA-N	291.332	0.992	70	40	CCIB	
Cn1cccc1[C@H](O)CCNC(=O)C(=O)Nc1ccon1	217945779	NVPGPQDCXZOGPL-SNVBAGLBSA-N	292.295	0.192	70	40	CCIB	
O=S(=O)(F)CCn1nnc(-c2ccccc2)n1	100493914	JHXUJHKVPSNZAO-UHFFFAOYSA-N	256.262	0.639	70	40	CCIB	
CN1CCC[C@@H](C(=O)NCCCN2CCOCC2)C1	216910626	BAJBWVIPTAQAAU-CYBMUJFWSA-N	269.389	0.167	70	40	CCIB	
COC(=O)C1CCN(C(=O)[C@H]2CCCN(C)C2)CC1	216913404	ZACSKUUBJCLSOP-LBPRGKRZSA-N	268.357	0.740	70	40	CCIB	
COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(C)on1	217601054	OOPDVEFMOBLGDL-SCZZXKLOSA-N	268.269	0.386	70	40	CCIB	
CCNC(=O)C(=O)NC[C@](C)(O)c1cc2ccccc2o1	218001764	NNZHXMGPERJBTP-HNNXBMFYSA-N	290.319	0.893	70	40	CCIB	
COC(CN1CCC(C(=O)NC(C)C)CC1)OC	160759506	NYYHEDPOGGDXAP-UHFFFAOYSA-N	258.362	0.842	70	40	CCIB	
Cn1nc(C(=O)NCCSC2CCOCC2)ccc1=O	217704993	AUUMUIIMLSIKPY-UHFFFAOYSA-N	297.380	0.422	70	40	CCIB	
O=S(=O)(Cl)c1ccc2c(c1)S(=O)(=O)CC2	59305966	OTTLGROTQDMDSE-UHFFFAOYSA-N	266.727	0.944	70	40	CCIB	
CN(C)S(=O)(=O)Nc1cnn(CC2CCOCC2)c1	218240964	XVOSQWPVFIVIMD-UHFFFAOYSA-N	288.373	0.528	70	40	CCIB	
O=S(=O)(CCc1ccccc1)N1CC(n2ccnn2)C1	217713814	LYBZLUXKCKVDSP-UHFFFAOYSA-N	292.364	0.707	70	40	CCIB	
O=C(CN1C(=O)CCC1=O)NCC[C@H](O)c1ccsc1	217527068	CDYJDOUWLRXDOX-JTQLQIEISA-N	296.348	0.437	70	40	CCIB	
CNC(=O)COc1ccc(S(=O)(=O)Cl)cc1F	100857846	FVBKUUVMTMGKBH-UHFFFAOYSA-N	281.692	0.878	70	40	CCIB	
O=C(c1cnccn1)N1CCC(n2ccnn2)CC1	217689813	OIFUSNKGTFNUCC-UHFFFAOYSA-N	258.285	0.545	70	40	CCIB	
CCOC(=O)[C@H]1CCCCN1S(=O)(=O)Cl	100502703	LGLAGFGRWNMERP-SSDOTTSWSA-N	255.723	0.888	70	40	CCIB	
Cc1cc(S(=O)(=O)Cl)ccc1-n1cnnn1	59222035	WEBVLARWEOOZCT-UHFFFAOYSA-N	258.690	0.898	70	40	CCIB	in-vitro
CCOCC(=O)N1Cc2cnc(N3CCOCC3)nc2C1	217605529	WGQMNFAKYOIIEH-UHFFFAOYSA-N	292.339	0.192	70	40	CCIB	
Cc1noc(C)c1C(=O)N1CC(N2C(=O)CSC2=O)C1	217745972	UPCBETBOLJKJRW-UHFFFAOYSA-N	295.320	0.811	70	40	CCIB	
CC(C)(C(=O)N1CCOCC1)S(=O)(=O)Cl	103605089	FEYKKNUGMFHOGY-UHFFFAOYSA-N	255.723	0.192	70	40	CCIB	
COC(=O)C1CCN(C(=O)[C@@H]2CCCN(C)C2)CC1	216913380	ZACSKUUBJCLSOP-GFCCVEGCSA-N	268.357	0.740	70	40	CCIB	
CCS(=O)(=O)N(CC(=N)N)c1ccccc1OC	217349838	PKHIQVOTNQJZLW-UHFFFAOYSA-N	271.342	0.787	70	40	CCIB	
CN1CCC[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	216782463	ROSAGKOZICWBFZ-SNVBAGLBSA-N	297.380	0.614	70	40	CCIB	
Cn1cc(S(=O)(=O)NC[C@H](O)C2CCCCC2)cn1	159530760	HLEQWZWIAIWMFT-LBPRGKRZSA-N	287.385	0.640	70	40	CCIB	
CCc1n[nH]c(S(=O)(=O)Cl)c1C(=O)OC	100027232	NKGXLRORNIZMND-UHFFFAOYSA-N	252.679	0.686	70	40	CCIB	
COCC(=O)Nc1nc(C)c(S(=O)(=O)Cl)s1	110749458	VEAXOCRFCANRFB-UHFFFAOYSA-N	284.746	0.964	70	40	CCIB	
O=C(NC[C@H](O)Cn1ccccc1=O)[C@H]1CC=CCC1	218433002	JVJOJZKXUNHTHU-STQMWFEESA-N	276.336	0.682	70	40	CCIB	
CN1[Si](C)(C)N[SiH2]N[Si](C)(C)N(C)[Si]1(C)C	169747583	OVFDKWVWCVKIRM-UHFFFAOYSA-N	292.684	0.147	70	40	CCIB	
COc1ccc(OC[C@H]2CN(CC(N)=O)CCO2)cc1	217492632	IYQWIPWLHZTBEI-CYBMUJFWSA-N	280.324	0.260	70	40	CCIB	
O=C(c1ccc[n+]([O-])c1S(=O)(=O)Cl)N1CCCC1	218813984	CKFMZBCFFNRMEK-UHFFFAOYSA-N	290.728	0.484	70	40	CCIB	
COc1ccc(CNC(=O)CC(=N)N)cc1OC	217755094	LMLSUMAOMFIUPI-UHFFFAOYSA-N	251.286	0.646	70	40	CCIB	
CN1C(=O)COc2cc(S(=O)(=O)Cl)ccc21	100908514	FNSIYDIRBYUBDT-UHFFFAOYSA-N	261.686	0.969	70	40	CCIB	
O=C(COc1ccccc1)N1CC(N2C(=O)CCC2=O)C1	217714937	IPBVZOTYWNPXLH-UHFFFAOYSA-N	288.303	0.425	70	40	CCIB	
NC(=O)CN1CCO[C@@H](COc2ccccc2F)C1	217486178	WYCFFSCAVCHKAV-SNVBAGLBSA-N	268.288	0.391	70	40	CCIB	
Fc1cnc(N2CCC[C@@H]2CN2CCOCC2)nc1	160404150	NMKDPAOEKKKSBK-GFCCVEGCSA-N	266.320	0.917	70	40	CCIB	
O=S(=O)(F)c1cc(S(=O)(=O)NC2CC2)ccc1F	1776011214	PJXOSRBBJIRCNA-UHFFFAOYSA-N	297.304	0.925	70	40	CCIB	
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Cl)c1	100548398	PERNYULRLSCWLU-UHFFFAOYSA-N	283.758	0.864	70	40	CCIB	
O=c1cnc2ccccc2n1CCS(=O)(=O)F	100563120	DJQQQUGFNDIGQG-UHFFFAOYSA-N	256.258	0.696	70	40	CCIB	
COc1nn(C)cc1C(=O)NCC[C@@H](O)c1cccn1C	217932998	GCKPVBLYXGBEAP-GFCCVEGCSA-N	292.339	0.621	70	40	CCIB	
Cc1cc(OC2CN(S(=O)(=O)C3CC3)C2)cc(=O)o1	217752936	XBPMXXSGGHBMBA-UHFFFAOYSA-N	285.321	0.503	70	40	CCIB	
COc1ccc(CCNC(=O)CC(=N)N)cc1OC	217741424	HXCRUJQXSOBRCL-UHFFFAOYSA-N	265.313	0.689	70	40	CCIB	
COc1cccc(OC[C@H]2CN(CC(N)=O)CCO2)c1	217491821	QAWKNBJHHCTMRR-CYBMUJFWSA-N	280.324	0.260	70	40	CCIB	
CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cl)cn1	103603714	XLIAZANDYJXPNF-UHFFFAOYSA-N	279.749	0.679	70	40	CCIB	
COCc1c(S(=O)(=O)Cl)cnn1CCF	408717089	VRNIYCQHOOBGOK-UHFFFAOYSA-N	256.686	0.927	70	40	CCIB	
O=C(Cn1cc(S(=O)(=O)Cl)cn1)N1CCCC1	103603718	FGMHJWIOAYZGIE-UHFFFAOYSA-N	277.733	0.433	70	40	CCIB	
Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)N(C)C)C3	217712018	BZRCKPKVCSTUCJ-UHFFFAOYSA-N	295.368	0.202	70	40	CCIB	
COc1cc(N)c(S(=O)(=O)NC(C)C)cc1OC	217675673	XXOFTQKYGJNXKK-UHFFFAOYSA-N	274.342	0.973	70	40	CCIB	
CS(=O)(=O)c1ncccc1S(=O)(=O)Cl	196254786	AJBNIGIROLQDNG-UHFFFAOYSA-N	255.704	0.413	70	40	CCIB	
CCS(=O)(=O)c1ncccc1S(=O)(=O)Cl	218801514	LOYWBTHKYMNCRG-UHFFFAOYSA-N	269.731	0.803	70	40	CCIB	
Cn1cnc2ccc(S(=O)(=O)Cl)cc2c1=O	105659339	GQCZVRNGJORXAS-UHFFFAOYSA-N	258.686	0.861	70	40	CCIB	
CN1CCC[C@H](C(=O)NCCCN2CCOCC2)C1	216910655	BAJBWVIPTAQAAU-ZDUSSCGKSA-N	269.389	0.167	70	40	CCIB	
O=S(=O)(Cl)CCCCS(=O)(=O)Cl	103592874	VZHRPLJULARYDO-UHFFFAOYSA-N	255.144	0.904	70	40	CCIB	
Cc1ccc(CN(CC(=N)N)S(C)(=O)=O)cc1	217757650	FNLOWFDPNFKSPD-UHFFFAOYSA-N	255.343	0.693	70	40	CCIB	
CN1C(=O)C(=O)c2cc(S(=O)(=O)Cl)ccc21	100052999	YRLKAWNXGIKQGT-UHFFFAOYSA-N	259.670	0.773	70	40	CCIB	
C[C@](O)(CNC(=O)N1CCNC1=O)c1cccs1	217581389	FXRZCWPTOXDVQW-NSHDSACASA-N	269.326	0.690	70	40	CCIB	
COC(=O)[C@H]1CN(CCCN2CCCCC2)CCO1	161329072	BOQJXGQNUTVGMH-CYBMUJFWSA-N	270.373	0.736	70	40	CCIB	
Cc1nn(CC(=O)N(C)C)c(C)c1S(=O)(=O)Cl	103603731	ABJDZCXQJGCCSX-UHFFFAOYSA-N	279.749	0.516	70	40	CCIB	
CCS(=O)(=O)N(CC(=N)N)c1cccc(OC)c1	217349727	MIRZMUWRLQVWMZ-UHFFFAOYSA-N	271.342	0.787	70	40	CCIB	
Cc1ccc(C(=O)CCN2CCOC[C@@H]2C(N)=O)cc1	161375359	JDRHYAWWLGQFDI-CYBMUJFWSA-N	276.336	0.754	70	40	CCIB	
CCc1nn(C)c(C(=O)O)c1S(=O)(=O)Cl	103694754	HEFQPXQOOTUYIE-UHFFFAOYSA-N	252.679	0.608	70	40	CCIB	
Cc1cc(=O)[nH]c2ccc(S(=O)(=O)CC(N)=O)cc12	217436562	KMTQDOIUOREUGF-UHFFFAOYSA-N	280.305	0.096	70	40	CCIB	
O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCOCC1	217995736	DRDKQFNJHJHJAJ-TXEJJXNPSA-N	279.344	0.338	70	40	CCIB	
O=[N+]([O-])c1cc(S(=O)(=O)F)cc(S(=O)(=O)F)c1	255187355	CYLZPKQIRSHHEY-UHFFFAOYSA-N	287.221	0.911	70	40	CCIB	
COc1ccc(S(N)(=O)=O)cc1S(=O)(=O)Cl	59963502	BHYMARKMIWPVIN-UHFFFAOYSA-N	285.730	0.270	70	40	CCIB	
N=C(N)CC(=O)N1CCN(Cc2ccccc2)CC1	217750031	ZCROAMBSHADRTL-UHFFFAOYSA-N	260.341	0.657	70	40	CCIB	
Cc1noc(-c2cn(CCNC(=O)c3ccc[nH]3)nn2)n1	217466853	RUCGCFGCYQXHDK-UHFFFAOYSA-N	287.283	0.395	70	40	CCIB	
COC[C@](C)(O)CNC(=O)c1ccc(OC)c(F)c1	217571021	QMHITXAPAJUPNC-CYBMUJFWSA-N	271.288	0.962	70	40	CCIB	
O=c1[nH]c2ccc(S(=O)(=O)Cl)cc2c(=O)o1	100542328	YLRUKOOOADWBQH-UHFFFAOYSA-N	261.642	0.409	70	40	CCIB	
O=C1c2ccccc2C(=O)N1CCS(=O)(=O)F	97994457	XLFCXOFNSPMDND-UHFFFAOYSA-N	257.242	0.582	70	40	CCIB	
O=C1CC(=O)Nc2cc(S(=O)(=O)Cl)ccc2N1	100563834	FOMGZBPQPAFTHP-UHFFFAOYSA-N	274.685	0.895	70	40	CCIB	
COc1ccccc1N(CC(=N)N)S(C)(=O)=O	217348397	FEFHHFCGIBGEPG-UHFFFAOYSA-N	257.315	0.397	70	40	CCIB	
COc1ccc(S(=O)(=O)N(CC(=N)N)C2CC2)cc1	217351073	UWEMZYNCCGZUBD-UHFFFAOYSA-N	283.353	0.784	70	40	CCIB	
O=C(c1cccnc1S(=O)(=O)Cl)N1CCOCC1	218805200	SSLDTXZTWLBFBI-UHFFFAOYSA-N	290.728	0.482	70	40	CCIB	
O=CN(Cc1ccccc1)[C@H]1C=CS(=O)(=O)C1	217409516	HBFADDMAWFWXGD-LBPRGKRZSA-N	251.307	0.956	70	40	CCIB	
COc1ccccc1OC[C@@H]1CN(CC(N)=O)CCO1	217490945	YPTCXPIAAFSIEP-NSHDSACASA-N	280.324	0.260	70	40	CCIB	
CC(C)c1nc(CC(=O)N2CCN(C)CC2)no1	216844834	FBMVPPDYFINBGL-UHFFFAOYSA-N	252.318	0.510	70	40	CCIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1c[nH]c(=O)[nH]1	218226596	NKNYJVDKHWJADF-UHFFFAOYSA-N	291.311	0.578	70	40	CCIB	
CN1CCC[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	216782507	ROSAGKOZICWBFZ-JTQLQIEISA-N	297.380	0.614	70	40	CCIB	
CCOC(=O)[C@@H]1[C@@H]2C(=O)N3CCCO[C@H]3[C@]23C=C[C@H]1O3	217623704	DNPZPPHKBCNQCS-DLHUNUQVSA-N	279.292	0.078	70	40	CCIB	biogenic
Fc1cnc(N2CCC[C@H]2CN2CCOCC2)nc1	160404268	NMKDPAOEKKKSBK-LBPRGKRZSA-N	266.320	0.917	70	40	CCIB	
O=C(NC[C@@H](O)Cn1ccccc1=O)[C@@H]1CC=CCC1	218433093	JVJOJZKXUNHTHU-CHWSQXEVSA-N	276.336	0.682	70	40	CCIB	
O=C(NCc1nc(-c2ccccc2)no1)c1cc(=O)nc[nH]1	217794306	DWXOTPRYXHTYDC-UHFFFAOYSA-N	297.274	0.750	70	40	CCIB	
CCN(CC)C(=O)Cn1cc(C(=O)N=[N+]=[N-])nn1	94993292	HBWGYWZEWXVJIQ-UHFFFAOYSA-N	251.250	0.597	70	40	CCIB	
CCn1nc(C)c(S(=O)(=O)Cl)c1C(=O)O	103693896	QAJKNVFOHWIEPX-UHFFFAOYSA-N	252.679	0.837	70	40	CCIB	
COc1cc(N)c(CC(=O)N2CCOCC2)cc1OC	217670970	ZBMXFCLMYMHPLH-UHFFFAOYSA-N	280.324	0.687	70	40	CCIB	
O=C(NC[C@H](O)Cn1ccccc1=O)[C@@H]1CC=CCC1	218433166	JVJOJZKXUNHTHU-OLZOCXBDSA-N	276.336	0.682	70	40	CCIB	
O=S(=O)(Cl)CC1(F)CCS(=O)(=O)CC1	238855409	RNRZEDDSFAVMNW-UHFFFAOYSA-N	264.727	0.472	70	40	CCIB	
COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1cc(C)on1	217600885	OOPDVEFMOBLGDL-PSASIEDQSA-N	268.269	0.386	70	40	CCIB	
NC(=O)COc1ccc(S(=O)(=O)Cl)cc1F	97952710	TULRFPAZSRXJLK-UHFFFAOYSA-N	267.665	0.617	70	40	CCIB	
O=S(=O)(F)c1cc(S(=O)(=O)N2CCC2)ccc1F	1776011212	ORKARCGKMOXEBD-UHFFFAOYSA-N	297.304	0.878	70	40	CCIB	
CC(=O)NCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1	217673422	NYABZUPNCANILS-UHFFFAOYSA-N	299.334	0.465	70	40	CCIB	
CN1CCN(C(=O)Cc2noc(C3CC3)n2)CC1	216844876	PLXKTUBLFSLSSF-UHFFFAOYSA-N	250.302	0.264	70	40	CCIB	
Cc1nnc(C(=O)NCCc2nnc3n2CCCC3)s1	161087373	XPGCOQVFWJQXMU-UHFFFAOYSA-N	292.368	0.747	70	40	CCIB	
O=S(=O)(Cl)c1ccc(-c2nnn[nH]2)s1	100401420	CRGNDNVYOIZJQY-UHFFFAOYSA-N	250.692	0.856	70	40	CCIB	
N=C(N)CC(=O)N1CCN(c2ccc(F)cc2)CC1	217750222	QPOMEECXXOGGBQ-UHFFFAOYSA-N	264.304	0.800	70	40	CCIB	
COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1cc(C)on1	217600959	OOPDVEFMOBLGDL-WCBMZHEXSA-N	268.269	0.386	70	40	CCIB	
Cc1ccc(S(=O)(=O)Cl)cc1S(N)(=O)=O	100549849	NYDUPJCKIICLRJ-UHFFFAOYSA-N	269.731	0.570	70	40	CCIB	
Cc1nn(CCS(=O)(=O)F)c(C)c1[N+](=O)[O-]	100493927	GKSXTRLSENNMRS-UHFFFAOYSA-N	251.239	0.707	70	40	CCIB	
CCS(=O)(=O)N(CC(=N)N)c1ccc(OC)cc1	217349615	BLHHFHALAVBGKF-UHFFFAOYSA-N	271.342	0.787	70	40	CCIB	
NC(=O)CN1CCO[C@H](COc2ccc(F)cc2)C1	217487854	ZCZJUDPUGRPYFQ-LBPRGKRZSA-N	268.288	0.391	70	40	CCIB	
COc1ccc(C(=O)N2CCN(C)CC2)cc1NC=O	216844202	NZIKSUHNSUNERX-UHFFFAOYSA-N	277.324	0.651	70	40	CCIB	
Cc1cc(S(=O)(=O)Cl)ccc1OCC(N)=O	100010242	IQKHXAUYXTWVKW-UHFFFAOYSA-N	263.702	0.787	70	40	CCIB	
Cc1noc(C)c1CC(=O)N1CC[C@@H](n2ccnn2)C1	217687763	NJUIJMUSNUUJSI-LLVKDONJSA-N	275.312	0.899	70	40	CCIB	
CN(CCS(=O)(=O)F)S(=O)(=O)c1cccs1	100563123	SSBLUDMHEJFQBR-UHFFFAOYSA-N	287.359	0.668	70	40	CCIB	
Cn1nnnc1COc1ccc(S(=O)(=O)Cl)cc1	110749302	VKAWFWBDHIKUFW-UHFFFAOYSA-N	288.716	0.717	70	40	CCIB	
CN(C)C(=O)CCc1c(O)nc(C(F)(F)F)nc1O	217598572	IJVYJJBNJAQIEH-UHFFFAOYSA-N	279.218	0.927	70	40	CCIB	
CN(C)S(=O)(=O)c1csc(S(=O)(=O)Cl)c1	1772715137	IBYQQMCUCFLRHW-UHFFFAOYSA-N	289.787	0.926	70	40	CCIB	
CN1CCC(CC(=O)NCCCN2CCN(C)CC2)CC1	216900092	CAKMRQMQMYACFX-UHFFFAOYSA-N	296.459	0.472	70	40	CCIB	
COc1ccc(S(=O)(=O)Cl)cc1NS(C)(=O)=O	100510542	DXLNUTRTWHBTKC-UHFFFAOYSA-N	299.757	0.994	70	40	CCIB	
Cc1ccc(OC[C@H]2CN(CC(N)=O)CCO2)cc1	217490249	ZCFFKGWVQVJUDL-CYBMUJFWSA-N	264.325	0.560	70	40	CCIB	
O=S(=O)(c1cccnc1)N1CCc2oncc2C1	217693975	NCXMFJUVWAETML-UHFFFAOYSA-N	265.294	0.817	70	40	CCIB	
Cc1ccccc1OC[C@@H]1CN(CC(N)=O)CCO1	217488591	XBJDBLHEWIWXHU-LBPRGKRZSA-N	264.325	0.560	70	40	CCIB	
Cc1cc(OC2CN(C(=O)c3ccccn3)C2)cc(=O)n1C	217754661	PZPCYJLTTGUCCN-UHFFFAOYSA-N	299.330	0.992	70	40	CCIB	
CNS(=O)(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1	218269918	PMVGTUVLNIEGGI-UHFFFAOYSA-N	299.757	0.531	70	40	CCIB	
O=C(c1ccncc1)N1CC[C@@H](N2C(=O)CSC2=O)C1	217780780	UNJXAFUMCZLYBK-SNVBAGLBSA-N	291.332	0.992	70	40	CCIB	
CS(=O)(=O)c1ccc(S(=O)(=O)Cl)cn1	100442504	CEMMEPOVTSQYMW-UHFFFAOYSA-N	255.704	0.413	70	40	CCIB	
CN1CCC(C(=O)NCCCN2CCOCC2)CC1	216921260	YCLLHHJJPBLSSO-UHFFFAOYSA-N	269.389	0.167	70	40	CCIB	
O=S1(=O)CCC(OS(=O)(=O)C(F)(F)F)CC1	110753617	VKCHKUBUHHNWBA-UHFFFAOYSA-N	282.261	0.430	70	40	CCIB	
COc1cccc(N(CC(=N)N)S(C)(=O)=O)c1	217348298	GGJOJVWVSSJFMO-UHFFFAOYSA-N	257.315	0.397	70	40	CCIB	
CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)Cl	81113220	YBVUJZKYBUCSOY-UHFFFAOYSA-N	252.679	0.822	70	40	CCIB	in-vitro
CCn1nc(C(=O)O)c(S(=O)(=O)Cl)c1C	103635587	QSUCUAKXXWEICB-UHFFFAOYSA-N	252.679	0.837	70	40	CCIB	
CN(CCS(=O)(=O)F)S(=O)(=O)c1ccc(F)cc1	100563058	QTAVGCCUOCJQIP-UHFFFAOYSA-N	299.320	0.746	70	40	CCIB	
O=C(C1CCC1)N1CC(N2C(=O)CSC2=O)C1	217743245	ZTHJCYVHGLEYIS-UHFFFAOYSA-N	254.311	0.693	70	40	CCIB	
Cn1cc(C(=O)Nc2cnn(CC3CCOCC3)c2)nn1	218224220	ZATNOMFNGTWRDV-UHFFFAOYSA-N	290.327	0.691	70	40	CCIB	
O=C(c1ccoc1)N1CC(N2C(=O)CSC2=O)C1	217747224	TVNNDLGSJZGBHW-UHFFFAOYSA-N	266.278	0.799	70	40	CCIB	
COc1ccccc1N1CCN(C(=O)CC(=N)N)CC1	217750436	XJFRMJKHPKSNHN-UHFFFAOYSA-N	276.340	0.670	70	40	CCIB	
CN(C)S(=O)(=O)c1ncc(S(=O)(=O)Cl)s1	1772715159	NTFMXWLCPCZWJU-UHFFFAOYSA-N	290.775	0.321	70	40	CCIB	
O=C1[C@@H]2[C@@]34C=CC=C[C@@]23[C@H](C=C4)N1S(=O)(=O)Cl	104280910	PCFDZBGMSCESMU-GISOBZBCSA-N	269.709	0.979	70	40	CCIB	
O=C1c2cccnc2C(=O)N1CCS(=O)(=O)Cl	100489353	WWWPTUMPRZHAMT-UHFFFAOYSA-N	274.685	0.246	70	40	CCIB	
COc1nn(C)cc1C(=O)NCC[C@H](O)c1cccn1C	217933072	GCKPVBLYXGBEAP-LBPRGKRZSA-N	292.339	0.621	70	40	CCIB	
COc1ccccc1OC[C@H]1CN(CC(N)=O)CCO1	217491024	YPTCXPIAAFSIEP-LLVKDONJSA-N	280.324	0.260	70	40	CCIB	
O=C1c2ccccc2C(=O)N1CS(=O)(=O)Cl	100441340	QUOUYGNYUWEZGO-UHFFFAOYSA-N	259.670	0.809	70	40	CCIB	
CCS(=O)(=O)N(CC(=N)N)c1ccccc1F	217349183	LILJBONDQISQMJ-UHFFFAOYSA-N	259.306	0.918	70	40	CCIB	
Cc1ccc(C(N)=O)cc1S(=O)(=O)N1CCN(C)CC1	216853235	NYJFNEBRZQSZTC-UHFFFAOYSA-N	297.380	0.030	70	40	CCIB	
CNC(=O)C(=O)NC[C@](C)(O)c1cc2ccccc2s1	217517013	XPZQIJUSYQHPQX-AWEZNQCLSA-N	292.360	0.971	70	40	CCIB	
Cn1c(=O)oc(=O)c2cc(S(=O)(=O)Cl)ccc21	100475690	QGEUBGJPTHKQKO-UHFFFAOYSA-N	275.669	0.419	70	40	CCIB	
O=C1c2ccccc2S(=O)(=O)N1CCS(=O)(=O)F	100563062	MEIBQVWCFSZNOP-UHFFFAOYSA-N	293.297	0.130	70	40	CCIB	
CCS(=O)(=O)N(CC(=N)N)c1ccc(F)cc1	217348953	RHESUVSTUVJZPX-UHFFFAOYSA-N	259.306	0.918	70	40	CCIB	
O=C1CC[C@@H](C(=O)Nc2cnn(CC3CCOCC3)c2)N1	218197048	HCPVSGNMNIUVKS-LBPRGKRZSA-N	292.339	0.527	70	40	CCIB	
CN1CCN(CCCNC(=O)[C@H]2CCCN(C)C2)CC1	216913327	OXUMRBZOTRRGBE-AWEZNQCLSA-N	282.432	0.082	70	40	CCIB	
COC(=O)c1cc(NC(=O)CC(=N)N)cc(C(=O)OC)c1	217752877	BBIKNXOMGXBSPL-UHFFFAOYSA-N	293.279	0.524	70	40	CCIB	
Cc1cc(=O)n(CCNC(=O)/C=C/c2ccco2)cn1	217477460	IRSFPSJXYJEEPT-SNAWJCMRSA-N	273.292	0.974	70	40	CCIB	
CCCn1cc(S(=O)(=O)Cl)c(C(=O)O)n1	103635474	KMZFRSSOVYQBHI-UHFFFAOYSA-N	252.679	0.919	70	40	CCIB	
Cn1cc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)nn1	217574790	NJMREZBTRLWJBR-CQSZACIVSA-N	299.334	0.770	70	40	CCIB	
Cc1nc(N2CCCC2)[nH]c(=O)c1S(=O)(=O)Cl	100860009	PGRRAPCTOZAMMI-UHFFFAOYSA-N	277.733	0.606	70	40	CCIB	
CS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1	100153128	WHPYBOQWWLLDDH-UHFFFAOYSA-N	269.731	0.986	70	40	CCIB	
Cn1cc(C(=O)NC[C@H](O)c2cn(C)c3ccccc23)nn1	217574855	NJMREZBTRLWJBR-AWEZNQCLSA-N	299.334	0.770	70	40	CCIB	
NC(=O)CN1CCO[C@H](COc2ccccc2F)C1	217486262	WYCFFSCAVCHKAV-JTQLQIEISA-N	268.288	0.391	70	40	CCIB	
CN1CCN(CCCNC(=O)[C@@H]2CCCN(C)C2)CC1	216913302	OXUMRBZOTRRGBE-CQSZACIVSA-N	282.432	0.082	70	40	CCIB	
O=C(Cc1ccc(F)cc1)N1CC(N2C(=O)CCC2=O)C1	217715042	WDJWQAWYQRFMRG-UHFFFAOYSA-N	290.294	0.728	70	40	CCIB	
CN1CCC(CC(=O)NCCCN2CCOCC2)CC1	216897588	KODRHMTYXDBDBN-UHFFFAOYSA-N	283.416	0.557	70	40	CCIB	
Cn1cc(C(=O)NC[C@H](O)Cc2ccccc2)nn1	217573282	YPGAFPQMIKBSEP-LLVKDONJSA-N	260.297	0.149	70	40	CCIB	
Cc1nc2sccn2c(=O)c1S(=O)(=O)Cl	33356155	QWBCLVPNARQWIZ-UHFFFAOYSA-N	264.715	0.992	70	40	CCIB	
O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)F	100562938	TTWNFNRBVOYMBP-UHFFFAOYSA-N	264.278	0.150	70	40	CCIB	
O=C1CCC(=O)N1c1ccc(S(=O)(=O)F)cc1	95671359	ADSZFSVBWDIUST-UHFFFAOYSA-N	257.242	0.998	70	40	CCIB	
CN(C)S(=O)(=O)c1ccc(CCC(=N)N)cc1	217758218	CXGFJYNJAOVRJC-UHFFFAOYSA-N	255.343	0.805	70	40	CCIB	
O=C(Cn1cc(S(=O)(=O)Cl)cn1)N1CCCCC1	103603722	OOWSANBSNRYUHP-UHFFFAOYSA-N	291.760	0.823	70	40	CCIB	
Cc1ccc(OC[C@@H]2CN(CC(N)=O)CCO2)cc1	217490167	ZCFFKGWVQVJUDL-ZDUSSCGKSA-N	264.325	0.560	70	40	CCIB	
N=C(N)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1	217351829	HWUITFTXVTULPZ-UHFFFAOYSA-N	271.317	0.915	70	40	CCIB	
CCn1ncc(S(=O)(=O)Cl)c1C(=O)OC	110753033	XFNKHZHAZNQWKY-UHFFFAOYSA-N	252.679	0.617	70	40	CCIB	
Cn1cc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)cn1	159530887	HLEQWZWIAIWMFT-GFCCVEGCSA-N	287.385	0.640	70	40	CCIB	
O=C(NC[C@@H](O)Cn1ccccc1=O)[C@H]1CC=CCC1	218432921	JVJOJZKXUNHTHU-QWHCGFSZSA-N	276.336	0.682	70	40	CCIB	
CN1CCN(S(=O)(=O)N(C)C)C[C@H]1c1ccccc1	216871406	NETBFVDUJWWESV-ZDUSSCGKSA-N	283.397	0.782	70	40	CCIB	
NC(=O)CN1CCO[C@@H](COc2ccc(F)cc2)C1	217487765	ZCZJUDPUGRPYFQ-GFCCVEGCSA-N	268.288	0.391	70	40	CCIB	
Cc1ccc(C(=O)CCN2CCOC[C@H]2C(N)=O)cc1	161375492	JDRHYAWWLGQFDI-ZDUSSCGKSA-N	276.336	0.754	70	40	CCIB	
Cc1cccc(OC[C@H]2CN(CC(N)=O)CCO2)c1	217489462	DKXCXMZJHKTYQD-CYBMUJFWSA-N	264.325	0.560	70	40	CCIB	
Cn1nnnc1-c1cccc(S(=O)(=O)Cl)c1	59222010	UKEAVZFPEYKYKG-UHFFFAOYSA-N	258.690	0.805	70	40	CCIB	in-vitro
COCCNC(=O)NCCn1ccnc1-c1ccccn1	217863364	ZFRFKNUKTRBPAA-UHFFFAOYSA-N	289.339	0.891	70	40	CCIB	
Cc1nnsc1C(=O)N1CC(n2ccnn2)C1	217712942	UTRZLMINVSXZIH-UHFFFAOYSA-N	250.287	0.135	70	40	CCIB	
CNC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1	103604112	LNKJPBMDDNYDQQ-UHFFFAOYSA-N	263.702	0.982	70	40	CCIB	
CN1CCC[C@@H](C(=O)N2CCC(C(N)=O)CC2)C1	216907752	UWCMFRQAYILOMA-LLVKDONJSA-N	253.346	0.052	70	40	CCIB	
C[C@@](O)(CNC(=O)N1CCNC1=O)c1cccs1	217581314	FXRZCWPTOXDVQW-LLVKDONJSA-N	269.326	0.690	70	40	CCIB	
CN(C)C(=O)Cc1c(O)nc(C(F)(F)F)nc1O	217598462	FJIACFZMIFTUHF-UHFFFAOYSA-N	265.191	0.537	70	40	CCIB	
Cn1cccc1[C@@H](O)CCNC(=O)C(=O)Nc1ccon1	217945860	NVPGPQDCXZOGPL-JTQLQIEISA-N	292.295	0.192	70	40	CCIB	
Cc1cc(C)cc(OC[C@H]2CN(CC(N)=O)CCO2)c1	217493414	XYJWIFLOEWDFHV-CQSZACIVSA-N	278.352	0.868	70	40	CCIB	
O=C(CN1C(=O)CCC1=O)NCC[C@@H](O)c1ccsc1	217526991	CDYJDOUWLRXDOX-SNVBAGLBSA-N	296.348	0.437	70	40	CCIB	
Cc1cc(C)cc(OC[C@@H]2CN(CC(N)=O)CCO2)c1	217493324	XYJWIFLOEWDFHV-AWEZNQCLSA-N	278.352	0.868	70	40	CCIB	
Cn1nc(C(=O)Nc2ccn3nccc3c2)ccc1=O	217951981	QILJBIUEXGTSKH-UHFFFAOYSA-N	269.264	0.680	70	40	CCIB	
CCC(CC)N1C[C@H](C(=O)NC2(CO)CC2)CC1=O	160187859	GGCKRZZCFZBCCU-SNVBAGLBSA-N	268.357	0.665	70	40	CCIB	
Cc1ccccc1OC[C@H]1CN(CC(N)=O)CCO1	217488680	XBJDBLHEWIWXHU-GFCCVEGCSA-N	264.325	0.560	70	40	CCIB	
CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cl	100502701	LGLAGFGRWNMERP-ZETCQYMHSA-N	255.723	0.888	70	40	CCIB	
CC(C)(C)OC(=O)C1(CS(=O)(=O)Cl)COC1	407985552	JANFONMQFWHCBQ-UHFFFAOYSA-N	270.734	0.913	70	40	CCIB	
Cc1noc(-c2cn(CCNC(=O)c3ccco3)nn2)n1	217465785	MRYVFTSWZQJHSH-UHFFFAOYSA-N	288.267	0.660	70	40	CCIB	
CNC(=O)COc1ccc(S(=O)(=O)Cl)cc1	100010269	WKOFWYBZSCHZMV-UHFFFAOYSA-N	263.702	0.739	70	40	CCIB	
CN(CC(=N)N)S(=O)(=O)c1ccc(Cl)cc1	217757995	ASPLCVXJZHAARC-UHFFFAOYSA-N	261.734	0.896	70	40	CCIB	
CCNC(=O)C(=O)NC[C@@](C)(O)c1cc2ccccc2o1	218001847	NNZHXMGPERJBTP-OAHLLOKOSA-N	290.319	0.893	70	40	CCIB	
Cn1cnc2c(S(=O)(=O)Cl)cccc2c1=O	256054528	WSBDDILWKKYWKF-UHFFFAOYSA-N	258.686	0.861	70	40	CCIB	
Cc1cc(OC2CN(S(=O)(=O)C3CC3)C2)cc(=O)n1C	217756983	CRZUJQSIYLMHOJ-UHFFFAOYSA-N	298.364	0.249	70	40	CCIB	
O=S(=O)(c1ccc([B-](F)(F)F)cc1)N1CCOCC1	216631995	HRABEWPHPYPSGO-UHFFFAOYSA-N	294.083	0.762	70	40	CCIB	
Cn1nnnc1-c1ccc(S(=O)(=O)Cl)cc1	103604063	OGEUSIJZIZGXHJ-UHFFFAOYSA-N	258.690	0.805	70	40	CCIB	
O=C1NCCN1C(=O)NC[C@H](O)c1ccc2c(c1)CCO2	217584799	JRSRMCRYERZKQS-NSHDSACASA-N	291.307	0.390	70	40	CCIB	
COC[C@@](C)(O)CNC(=O)c1ccc(OC)c(F)c1	217571098	QMHITXAPAJUPNC-ZDUSSCGKSA-N	271.288	0.962	70	40	CCIB	
COC(=O)C1CCN(C(=O)C2CCN(C)CC2)CC1	216922369	ZJSUMHKHXOPAAQ-UHFFFAOYSA-N	268.357	0.740	70	40	CCIB