smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C=C([O-])C=C2OC(c3cc(O)c(O)cc3O)C(=O)C(O)=C12 ZINC000014436469 406876160 /nfs/dbraw/zinc/87/61/60/406876160.db2.gz GCWMEFUMPZHUFF-UHFFFAOYSA-N -1 0 318.237 1.694 10 10 DDCERM O=C([O-])c1ccc(/C=C2\SC(=S)N(CCO)C2=O)cc1 ZINC000016904874 182063825 /nfs/dbraw/zinc/06/38/25/182063825.db2.gz PJLIQSCUVXKDCP-YFHOEESVSA-N -1 0 309.368 1.578 10 10 DDCERM O=C([O-])c1ccc(/C=C2\SC(=S)N(CCCO)C2=O)cc1 ZINC000016904781 182063525 /nfs/dbraw/zinc/06/35/25/182063525.db2.gz VEDCJJVLGSBIEC-FLIBITNWSA-N -1 0 323.395 1.968 10 10 DDCERM NN1C(=O)/C(=C/c2cccc(OCCC(=O)[O-])c2)SC1=S ZINC000016905033 182063956 /nfs/dbraw/zinc/06/39/56/182063956.db2.gz KXDUHWTXUMLWLB-YFHOEESVSA-N -1 0 324.383 1.615 10 10 DDCERM O=C([O-])c1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000063155596 184274891 /nfs/dbraw/zinc/27/48/91/184274891.db2.gz RNFKIFPVUMGWRK-VIFPVBQESA-N -1 0 301.320 1.011 10 10 DDCERM COc1cc2c(c(OC)c1[O-])C(=O)c1cccc(O)c1C2=O ZINC000014725213 406875962 /nfs/dbraw/zinc/87/59/62/406875962.db2.gz NZNMYTVRNRXVOA-UHFFFAOYSA-N -1 0 300.266 1.890 10 10 DDCERM CC(=O)NN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S ZINC000040867548 183144630 /nfs/dbraw/zinc/14/46/30/183144630.db2.gz YDWZPNDBBUGISM-POHAHGRESA-N -1 0 322.367 1.637 10 10 DDCERM CC[C@@H](Oc1ccc(C=C2SC(N)=NC2=O)cc1)C(=O)[O-] ZINC000016905097 182063721 /nfs/dbraw/zinc/06/37/21/182063721.db2.gz VWXZYYXZVHHNCU-PAKSIRSJSA-N -1 0 306.343 1.858 10 10 DDCERM C[C@H](Oc1ccccc1/C=C1\SC(=S)N(N)C1=O)C(=O)[O-] ZINC000016905042 182063650 /nfs/dbraw/zinc/06/36/50/182063650.db2.gz OOBSADJVOVDEJE-LOBLAWFCSA-N -1 0 324.383 1.613 10 10 DDCERM C[C@H](Oc1ccc(/C=C2\SC(=S)N(N)C2=O)cc1)C(=O)[O-] ZINC000016905020 182063579 /nfs/dbraw/zinc/06/35/79/182063579.db2.gz CPFMQZCJTNACOD-LOBLAWFCSA-N -1 0 324.383 1.613 10 10 DDCERM CC(=O)c1ccc(C=C2SC(=S)N(CC(=O)[O-])C2=O)o1 ZINC000005519791 181253390 /nfs/dbraw/zinc/25/33/90/181253390.db2.gz ULGZOKILDJJQML-RUDMXATFSA-N -1 0 311.340 1.768 10 10 DDCERM CC[C@H](Oc1ccc(C=C2SC(N)=NC2=O)cc1)C(=O)[O-] ZINC000016905098 182064026 /nfs/dbraw/zinc/06/40/26/182064026.db2.gz VWXZYYXZVHHNCU-QBQSQJOESA-N -1 0 306.343 1.858 10 10 DDCERM O=C1N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N2CCOC[C@@H]12 ZINC000093884594 304680532 /nfs/dbraw/zinc/68/05/32/304680532.db2.gz LPXJREDBWDWJKI-GXSJLCMTSA-N -1 0 303.145 1.528 10 10 DDCERM CC(=O)NC1=NC(=O)C(=CNc2ccccc2C(=O)[O-])S1 ZINC000618255025 422523711 /nfs/dbraw/zinc/52/37/11/422523711.db2.gz NJISVKLXPWWGOX-POHAHGRESA-N -1 0 305.315 1.404 10 10 DDCERM CC[C@@H](Oc1cccc(C=C2SC(N)=NC2=O)c1)C(=O)[O-] ZINC000016905105 182063546 /nfs/dbraw/zinc/06/35/46/182063546.db2.gz VWCXTSBQAQOIQT-PAKSIRSJSA-N -1 0 306.343 1.858 10 10 DDCERM O=C1C(O)=C([O-])C(O)=C2OC(c3ccccc3)C(=O)C(O)=C12 ZINC000014645330 406876254 /nfs/dbraw/zinc/87/62/54/406876254.db2.gz RNKSNQNKTRGJSZ-UHFFFAOYSA-N -1 0 302.238 1.988 10 10 biogenic,in-vitro DDCERM O=C([O-])c1c(O)c(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000004098700 290898398 /nfs/dbraw/zinc/89/83/98/290898398.db2.gz OOKBSCGBRWBGFL-UHFFFAOYSA-N -1 0 300.222 1.277 10 10 biogenic,in-vitro DDCERM CC(=O)NC1=NC(=O)C(=CNc2ccc(C(=O)[O-])cc2)S1 ZINC000618255327 422522915 /nfs/dbraw/zinc/52/29/15/422522915.db2.gz XJMVNCAULBWVKE-POHAHGRESA-N -1 0 305.315 1.404 10 10 DDCERM O=C1NC(=S)S/C1=C/c1ccc(S(=O)(=O)[O-])cc1 ZINC000090661174 185308313 /nfs/dbraw/zinc/30/83/13/185308313.db2.gz LNSHEIHQRFZLLE-VMPITWQZSA-N -1 0 301.370 1.422 10 10 DDCERM O=C([O-])CCCNc1c2no[n+]([O-])c2cc(Cl)c1[N+](=O)[O-] ZINC000584635733 337376032 /nfs/dbraw/zinc/37/60/32/337376032.db2.gz LPYCBVUWNJPDRB-UHFFFAOYSA-N -1 0 316.657 1.300 10 10 DDCERM CC(=O)NC1=NC(=O)C(=CNc2cccc(C(=O)[O-])c2)S1 ZINC000618255051 422522672 /nfs/dbraw/zinc/52/26/72/422522672.db2.gz OJHNQTDHFWVFSV-POHAHGRESA-N -1 0 305.315 1.404 10 10 DDCERM O=C1N[C@H](c2cc(Cl)cc(Cl)c2[O-])N2CCOC[C@H]12 ZINC000093884593 407202271 /nfs/dbraw/zinc/20/22/71/407202271.db2.gz LPXJREDBWDWJKI-KOLCDFICSA-N -1 0 303.145 1.528 10 10 DDCERM Cc1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(C)n1-c1ccccc1 ZINC000262450506 222280698 /nfs/dbraw/zinc/28/06/98/222280698.db2.gz VVACKGWPFLJZKD-QGZVFWFLSA-N -1 0 316.357 1.660 10 10 DDCERM O=C([O-])Cc1csc(CC(=O)NCc2ccc(O)cc2O)n1 ZINC000008017617 406774218 /nfs/dbraw/zinc/77/42/18/406774218.db2.gz HLTOKRHEYMYKAN-UHFFFAOYSA-N -1 0 322.342 1.040 10 10 DDCERM Cc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])c(C)n1-c1ccccc1 ZINC000262450504 222281173 /nfs/dbraw/zinc/28/11/73/222281173.db2.gz VVACKGWPFLJZKD-KRWDZBQOSA-N -1 0 316.357 1.660 10 10 DDCERM NN1C(=O)/C(=C/c2ccc(OCCC(=O)[O-])cc2)SC1=S ZINC000016905017 182063874 /nfs/dbraw/zinc/06/38/74/182063874.db2.gz HDHRHPYAUXHLKW-YFHOEESVSA-N -1 0 324.383 1.615 10 10 DDCERM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\N2CCCCC2)SC1=S ZINC000011765416 181704169 /nfs/dbraw/zinc/70/41/69/181704169.db2.gz RGGMNEBXYRTQRY-INTFFVIUSA-N -1 0 300.405 1.647 10 10 DDCERM O=C([O-])[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1 ZINC000006095785 181312827 /nfs/dbraw/zinc/31/28/27/181312827.db2.gz WGTPJOPXQRPTDE-LBPRGKRZSA-N -1 0 301.298 1.524 10 10 DDCERM NN1C(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)SC1=S ZINC000016905025 182064038 /nfs/dbraw/zinc/06/40/38/182064038.db2.gz DADQPZYCLALQJI-UITAMQMPSA-N -1 0 310.356 1.225 10 10 DDCERM Cc1nc2c(C(=O)NCc3ccco3)c[n-]n2c(=O)c1Cl ZINC000008661970 406792745 /nfs/dbraw/zinc/79/27/45/406792745.db2.gz GRPIKHLIOHZPHQ-UHFFFAOYSA-N -1 0 306.709 1.920 10 10 DDCERM O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cccc(O)c1O ZINC000185677909 407476242 /nfs/dbraw/zinc/47/62/42/407476242.db2.gz XRCOHXIBXJDHNT-LLVKDONJSA-N -1 0 314.345 1.287 10 10 DDCERM COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(C)C1=O ZINC000033285944 406960889 /nfs/dbraw/zinc/96/08/89/406960889.db2.gz XWEYARIRHZQTIY-LCYFTJDESA-N -1 0 310.309 1.940 10 10 DDCERM CC[C@H](Oc1cccc(C=C2SC(N)=NC2=O)c1)C(=O)[O-] ZINC000016905107 182063957 /nfs/dbraw/zinc/06/39/57/182063957.db2.gz VWCXTSBQAQOIQT-QBQSQJOESA-N -1 0 306.343 1.858 10 10 DDCERM COc1cc(OC)c2c(c1O)C(=O)c1ccc([O-])cc1C2=O ZINC000005998821 290896781 /nfs/dbraw/zinc/89/67/81/290896781.db2.gz AZOVYGVUYZKMOP-UHFFFAOYSA-N -1 0 300.266 1.890 10 10 biogenic,in-vitro DDCERM CN(C)c1ccc(CNc2nccc(OCC(=O)[O-])n2)cc1 ZINC000073706265 522214482 /nfs/dbraw/zinc/21/44/82/522214482.db2.gz YYCWGUBOLKUOIU-UHFFFAOYSA-N -1 0 302.334 1.618 10 10 DDCERM CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cccc(O)c1O)CC2 ZINC000193132144 222143978 /nfs/dbraw/zinc/14/39/78/222143978.db2.gz GESGOQTWXOYIQL-JTQLQIEISA-N -1 0 316.361 1.558 10 10 DDCERM COCc1c([O-])cc2c(c1O)C(=O)c1cccc(O)c1C2=O ZINC000040846151 183140685 /nfs/dbraw/zinc/14/06/85/183140685.db2.gz QPAINZVYGPYFIU-UHFFFAOYSA-N -1 0 300.266 1.725 10 10 DDCERM Cc1cc(OCC(=O)[O-])nc(NCc2ccc(N(C)C)cc2)n1 ZINC000073706271 191345043 /nfs/dbraw/zinc/34/50/43/191345043.db2.gz SXHXAXOUYIMQHU-UHFFFAOYSA-N -1 0 316.361 1.927 10 10 DDCERM COc1cc(C=C2SC(NCCC(=O)[O-])=NC2=O)ccc1O ZINC000006580681 181356995 /nfs/dbraw/zinc/35/69/95/181356995.db2.gz LJTKMPPIGDTSDV-XFFZJAGNSA-N -1 0 322.342 1.435 10 10 DDCERM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(=N)SC ZINC000584904552 354802390 /nfs/dbraw/zinc/80/23/90/354802390.db2.gz GJJNAJZWODKVBE-OUKQBFOZSA-N -1 0 305.359 1.486 10 10 DDCERM O=C1c2ccc(S(=O)(=O)[O-])cc2C(=O)c2c(O)ccc(O)c21 ZINC000038652636 183005538 /nfs/dbraw/zinc/00/55/38/183005538.db2.gz TUAYNBIXNNFSGQ-UHFFFAOYSA-N -1 0 320.278 1.120 10 10 DDCERM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c2ccccc12 ZINC000033285939 286266777 /nfs/dbraw/zinc/26/67/77/286266777.db2.gz KQSJBIDKFUHTHR-LCYFTJDESA-N -1 0 310.309 1.940 10 10 DDCERM O=C([O-])CN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S ZINC000003213168 180992529 /nfs/dbraw/zinc/99/25/29/180992529.db2.gz MNPZQUQRMCXSTL-WTKPLQERSA-N -1 0 311.340 1.384 10 10 DDCERM Cc1nc(CC(=O)NCc2ccc(O)cc2O)sc1C(=O)[O-] ZINC000008017106 406775741 /nfs/dbraw/zinc/77/57/41/406775741.db2.gz SMIUCHYUDUJCBX-UHFFFAOYSA-N -1 0 322.342 1.420 10 10 DDCERM NN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])SC1=S ZINC000016905035 182063723 /nfs/dbraw/zinc/06/37/23/182063723.db2.gz PQWLNGUHSNMJAS-UITAMQMPSA-N -1 0 310.356 1.225 10 10 DDCERM O=C1C=CC([O-])=C2OC(c3cc(O)c(O)c(O)c3)C(=O)C(O)=C12 ZINC000014436799 406876659 /nfs/dbraw/zinc/87/66/59/406876659.db2.gz JGTKWAPKKUUANC-UHFFFAOYSA-N -1 0 318.237 1.694 10 10 endogenous,in-man DDCERM Cc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H](C)C2)c1O ZINC000123402100 407327640 /nfs/dbraw/zinc/32/76/40/407327640.db2.gz JGCRVTOBZOQRMX-SNVBAGLBSA-N -1 0 303.811 1.973 10 10 DDCERM NN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1=S ZINC000016905015 182063999 /nfs/dbraw/zinc/06/39/99/182063999.db2.gz MNAVCNCKEUJBTO-UITAMQMPSA-N -1 0 310.356 1.225 10 10 DDCERM Nc1cccc2c1C(=O)c1ccc(S(=O)(=O)[O-])cc1C2=O ZINC000005002965 303500771 /nfs/dbraw/zinc/50/07/71/303500771.db2.gz YHEHZMLCNQADSB-UHFFFAOYSA-N -1 0 303.295 1.291 10 10 DDCERM O=c1cc(-c2ccc(O)c(O)c2)oc2cc([O-])c(O)c(O)c12 ZINC000006092198 181312155 /nfs/dbraw/zinc/31/21/55/181312155.db2.gz VYAKIUWQLHRZGK-UHFFFAOYSA-N -1 0 302.238 1.988 10 10 endogenous,in-man DDCERM O=C([O-])CCNC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)S1 ZINC000006889264 181402151 /nfs/dbraw/zinc/40/21/51/181402151.db2.gz GWEDAPHPNVJIRF-WDZFZDKYSA-N -1 0 320.326 1.450 10 10 DDCERM O=C1[N-]C(=O)C(=Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)N1 ZINC000003664480 181044279 /nfs/dbraw/zinc/04/42/79/181044279.db2.gz PDFSTUQCMDBHMI-UHFFFAOYSA-N -1 0 300.230 1.666 10 10 DDCERM Nc1cccc2c1C(=O)c1c(cccc1S(=O)(=O)[O-])C2=O ZINC000005002655 303500781 /nfs/dbraw/zinc/50/07/81/303500781.db2.gz UEZJOQCWOFDUOR-UHFFFAOYSA-N -1 0 303.295 1.291 10 10 DDCERM CN1C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)SC1=S ZINC000016905261 182064704 /nfs/dbraw/zinc/06/47/04/182064704.db2.gz KHCFMBHOFLLUPH-UXBLZVDNSA-N -1 0 309.368 1.981 10 10 DDCERM O=C([O-])c1cccc(-c2ccc(C=C3NC(=S)NC3=O)o2)c1 ZINC000034387279 406963935 /nfs/dbraw/zinc/96/39/35/406963935.db2.gz LTMSPBMJBBAVBQ-XFFZJAGNSA-N -1 0 314.322 1.990 10 10 DDCERM C[C@H](Oc1cccc(/C=C2\SC(=S)N(N)C2=O)c1)C(=O)[O-] ZINC000016905029 182063948 /nfs/dbraw/zinc/06/39/48/182063948.db2.gz NDWGGWLPHWEERQ-LOBLAWFCSA-N -1 0 324.383 1.613 10 10 DDCERM CCCn1c(C)nc2c([O-])c(CN3CCOCC3)ccc2c1=O ZINC000039124456 284127522 /nfs/dbraw/zinc/12/75/22/284127522.db2.gz HYGBROVJHMJWQQ-UHFFFAOYSA-N -1 0 317.389 1.653 10 10 DDCERM O=C([O-])c1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000063155597 184274625 /nfs/dbraw/zinc/27/46/25/184274625.db2.gz RNFKIFPVUMGWRK-SECBINFHSA-N -1 0 301.320 1.011 10 10 DDCERM CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cccc(O)c1O)CC2 ZINC000193132129 222144246 /nfs/dbraw/zinc/14/42/46/222144246.db2.gz GESGOQTWXOYIQL-SNVBAGLBSA-N -1 0 316.361 1.558 10 10 DDCERM C[C@@H](Oc1ccc(/C=C2\SC(=S)N(N)C2=O)cc1)C(=O)[O-] ZINC000016905018 182063953 /nfs/dbraw/zinc/06/39/53/182063953.db2.gz CPFMQZCJTNACOD-LWYMYGMPSA-N -1 0 324.383 1.613 10 10 DDCERM O=c1cc(-c2cc(O)c(O)cc2O)oc2cc([O-])cc(O)c12 ZINC000006523948 181349226 /nfs/dbraw/zinc/34/92/26/181349226.db2.gz DSNIERNBMAVNJI-UHFFFAOYSA-N -1 0 302.238 1.988 10 10 biogenic,in-vitro DDCERM CC[C@H](Oc1ccccc1C=C1SC(N)=NC1=O)C(=O)[O-] ZINC000016905114 182063472 /nfs/dbraw/zinc/06/34/72/182063472.db2.gz GMKOZWDHLFONHK-MKVDPYIPSA-N -1 0 306.343 1.858 10 10 DDCERM C[C@@H](Oc1cccc(/C=C2\SC(=S)N(N)C2=O)c1)C(=O)[O-] ZINC000016905027 182063991 /nfs/dbraw/zinc/06/39/91/182063991.db2.gz NDWGGWLPHWEERQ-LWYMYGMPSA-N -1 0 324.383 1.613 10 10 DDCERM CN1C(=O)/C(=C\c2ccccc2OCC(=O)[O-])SC1=S ZINC000016905265 182064748 /nfs/dbraw/zinc/06/47/48/182064748.db2.gz KOOLFMQLFUZBPA-UXBLZVDNSA-N -1 0 309.368 1.981 10 10 DDCERM O=Cc1cc(Br)cc(CN2CCOCC2)c1[O-] ZINC000095830699 407215245 /nfs/dbraw/zinc/21/52/45/407215245.db2.gz RVKOKXYJVFHJBV-UHFFFAOYSA-N -1 0 300.152 1.799 10 10 DDCERM O=C1N[C@H](c2cc(Cl)cc(Cl)c2[O-])N2CCOC[C@@H]12 ZINC000093884595 407202857 /nfs/dbraw/zinc/20/28/57/407202857.db2.gz LPXJREDBWDWJKI-ONGXEEELSA-N -1 0 303.145 1.528 10 10 DDCERM O=C1[N-]C(=O)C(=Cc2ccc(SCc3ccco3)o2)C(=O)N1 ZINC000041077947 183163654 /nfs/dbraw/zinc/16/36/54/183163654.db2.gz OQOUKOJWKKFKDP-UHFFFAOYSA-N -1 0 318.310 1.914 10 10 DDCERM O=C1/C(=C/c2ccc[nH]2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000019891604 182160771 /nfs/dbraw/zinc/16/07/71/182160771.db2.gz DZWIALGPEQCWGH-VURMDHGXSA-N -1 0 318.401 1.104 10 10 DDCERM COC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)[O-] ZINC000263367671 222307677 /nfs/dbraw/zinc/30/76/77/222307677.db2.gz AKYHQICZNURYOY-HNNXBMFYSA-N -1 0 316.357 1.924 10 10 DDCERM O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cccc(O)c1O ZINC000185677927 407475037 /nfs/dbraw/zinc/47/50/37/407475037.db2.gz XRCOHXIBXJDHNT-NSHDSACASA-N -1 0 314.345 1.287 10 10 DDCERM O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c([O-])cc(O)c12 ZINC000006525303 181349781 /nfs/dbraw/zinc/34/97/81/181349781.db2.gz ASOIXDIITRKTOX-UHFFFAOYSA-N -1 0 302.238 1.988 10 10 in-vitro DDCERM O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc([O-])c(O)cc12 ZINC000014644604 560223635 /nfs/dbraw/zinc/22/36/35/560223635.db2.gz HWTZYBCRDDUBJY-UHFFFAOYSA-N -1 0 302.238 1.988 10 10 biogenic,in-vitro DDCERM CC[C@@H](Oc1ccccc1C=C1SC(N)=NC1=O)C(=O)[O-] ZINC000016905113 182063614 /nfs/dbraw/zinc/06/36/14/182063614.db2.gz GMKOZWDHLFONHK-MDXIRLPMSA-N -1 0 306.343 1.858 10 10 DDCERM COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1 ZINC000005700947 406737082 /nfs/dbraw/zinc/73/70/82/406737082.db2.gz BAIMRTHCUUFMIM-XYOKQWHBSA-N -1 0 301.298 1.687 10 10 DDCERM O=C1C(O)=C([O-])C=C2OC(c3ccc(O)cc3)C(=O)C(O)=C12 ZINC000006536273 181352032 /nfs/dbraw/zinc/35/20/32/181352032.db2.gz LFPHMXIOQBBTSS-UHFFFAOYSA-N -1 0 302.238 1.988 10 10 in-vitro DDCERM CN(C)c1ccc(C=C2SC(NCCC(=O)[O-])=NC2=O)cc1 ZINC000006319864 181329999 /nfs/dbraw/zinc/32/99/99/181329999.db2.gz XJNZJIJZIRMDGN-XFXZXTDPSA-N -1 0 319.386 1.787 10 10 DDCERM O=C1N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N2CCOC[C@H]12 ZINC000093884592 407202414 /nfs/dbraw/zinc/20/24/14/407202414.db2.gz LPXJREDBWDWJKI-MWLCHTKSSA-N -1 0 303.145 1.528 10 10 DDCERM COC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)[O-] ZINC000263367672 222307727 /nfs/dbraw/zinc/30/77/27/222307727.db2.gz AKYHQICZNURYOY-OAHLLOKOSA-N -1 0 316.357 1.924 10 10 DDCERM