smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[C@H]2COc3cc([O-])cc(O)c3C2=O)cc1OC ZINC000013481888 290982466 /nfs/dbraw/zinc/98/24/66/290982466.db2.gz UDLKMPACHSCDFX-NSHDSACASA-N -1 1 330.336 2.549 1 0 biogenic,in-vitro EFAFMM CC(C)NCc1c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c2c1F ZINC000027323261 202154010 /nfs/dbraw/zinc/15/40/10/202154010.db2.gz OVQWKMVPRQWTGV-UHFFFAOYSA-N -1 1 336.338 2.811 1 0 EFAFMM O=S1(=O)N=C(Nc2ccccc2F)Nc2c([O-])cc(Cl)cc21 ZINC000028822686 202177538 /nfs/dbraw/zinc/17/75/38/202177538.db2.gz HSEBBCWAZOTVEK-UHFFFAOYSA-N -1 1 341.751 2.767 1 0 EFAFMM O=C([O-])c1cc(CN2CCc3ccccc3C2)c2ccccn2c1=O ZINC000066097798 202879021 /nfs/dbraw/zinc/87/90/21/202879021.db2.gz ODGUVXBIPINKLO-UHFFFAOYSA-N -1 1 334.375 2.556 1 0 EFAFMM CCOC(=O)c1c(N)oc2c1c(SCC)c([O-])c1ncncc21 ZINC000073222850 203260825 /nfs/dbraw/zinc/26/08/25/203260825.db2.gz PYVSAAZLMQHNMV-UHFFFAOYSA-N -1 1 333.369 2.953 1 0 EFAFMM COc1ccc(O)c(-c2coc3cc4c(c(=O)c-3c2[O-])OCO4)c1 ZINC000095486137 560061574 /nfs/dbraw/zinc/06/15/74/560061574.db2.gz LBUWDVBKYGJEMF-UHFFFAOYSA-N -1 1 328.276 2.609 1 0 biogenic,in-vitro EFAFMM COc1ccc(O)c(-c2coc3cc4c(c([O-])c3c2=O)OCO4)c1 ZINC000095486137 560061577 /nfs/dbraw/zinc/06/15/77/560061577.db2.gz LBUWDVBKYGJEMF-UHFFFAOYSA-N -1 1 328.276 2.609 1 0 biogenic,in-vitro EFAFMM COc1cc(-c2coc3cc4c(c([O-])c3c2=O)OCO4)ccc1O ZINC000014646047 560223805 /nfs/dbraw/zinc/22/38/05/560223805.db2.gz XSPWJJMLMZGHNF-UHFFFAOYSA-N -1 1 328.276 2.609 1 0 biogenic,in-vitro EFAFMM COc1cc(-c2coc3cc4c(c(=O)c-3c2[O-])OCO4)ccc1O ZINC000014646047 560223806 /nfs/dbraw/zinc/22/38/06/560223806.db2.gz XSPWJJMLMZGHNF-UHFFFAOYSA-N -1 1 328.276 2.609 1 0 biogenic,in-vitro EFAFMM CC(=O)c1cccc(N=C2CC[C@@H](C)n3c(=O)c(C(=O)[O-])cnc32)c1 ZINC000101508732 219129560 /nfs/dbraw/zinc/12/95/60/219129560.db2.gz LDASXDBBYZNXIP-SNVBAGLBSA-N -1 1 339.351 2.562 1 0 EFAFMM O=C1[N-]C(=O)c2c3cccn3c3c(cnn3-c3ccc(Cl)cc3)c21 ZINC000103254124 219277048 /nfs/dbraw/zinc/27/70/48/219277048.db2.gz SHNHVMHKOCCKKL-UHFFFAOYSA-N -1 1 336.738 2.815 1 0 EFAFMM O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc([O-])c(Cl)c1 ZINC000038441991 213209295 /nfs/dbraw/zinc/20/92/95/213209295.db2.gz FKXFNKGMURVCLI-UHFFFAOYSA-N -1 1 334.715 2.736 1 0 EFAFMM CCc1c(C)c2c(c(O)c1C/C=C(\C)C[P@](=O)([O-])O)C(=O)OC2 ZINC000036338575 213086284 /nfs/dbraw/zinc/08/62/84/213086284.db2.gz IIXMTUOKDXAXGR-WEVVVXLNSA-N -1 1 340.312 2.600 1 0 EFAFMM Cc1csc(-c2nc(C(=O)[O-])[nH]c2-c2ccc3c(c2)OCO3)n1 ZINC000073311154 216377365 /nfs/dbraw/zinc/37/73/65/216377365.db2.gz BGJFLWKGSBHYOG-UHFFFAOYSA-N -1 1 329.337 2.936 1 0 EFAFMM COc1cc(=O)c2c([O-])cc(-c3cc(O)c(OC)c(OC)c3)oc-2c1 ZINC000003589846 210059290 /nfs/dbraw/zinc/05/92/90/210059290.db2.gz WFVABHHWJPWNJJ-UHFFFAOYSA-N -1 1 344.319 2.897 1 0 EFAFMM O=C1C2=C(CCCC2)[C@@H](O)N1c1cc([O-])c(Br)cc1F ZINC000103207191 219269981 /nfs/dbraw/zinc/26/99/81/219269981.db2.gz ASVRSEQQMKRINU-CYBMUJFWSA-N -1 1 342.164 2.829 1 0 EFAFMM Cn1nc(Cc2ccc(F)cc2)nc1-c1ncc2cccnc2c1[O-] ZINC000040836691 213393489 /nfs/dbraw/zinc/39/34/89/213393489.db2.gz IANOLRFMSDYWJC-UHFFFAOYSA-N -1 1 335.342 2.861 1 0 EFAFMM COC(=O)c1ccc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)c(O)c1 ZINC000035858103 213050022 /nfs/dbraw/zinc/05/00/22/213050022.db2.gz HWGAIJRGZSBQBB-QPEQYQDCSA-N -1 1 345.332 2.763 1 0 EFAFMM Cc1cc(C[N@H+]2Cc3ccccc3[C@H]2C(=O)[O-])ccc1OCC(=O)[O-] ZINC000066112492 215014256 /nfs/dbraw/zinc/01/42/56/215014256.db2.gz FTRRTRJWEPYIES-SFHVURJKSA-N -1 1 341.363 2.600 1 0 EFAFMM CCc1cccc([N-]S(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 ZINC000073029836 216342149 /nfs/dbraw/zinc/34/21/49/216342149.db2.gz ZKUWTAISKFIKEZ-UHFFFAOYSA-N -1 1 345.424 2.579 1 0 EFAFMM COc1cc(C(=O)c2cc(OC)c([O-])c(OC)c2)c(OC)cc1F ZINC000096927044 218900727 /nfs/dbraw/zinc/90/07/27/218900727.db2.gz MTJIKOYOYNFODW-UHFFFAOYSA-N -1 1 336.315 2.797 1 0 EFAFMM COc1c(O)cccc1-c1coc2cc3c(c(=O)c-2c1[O-])OCO3 ZINC000014645872 560223580 /nfs/dbraw/zinc/22/35/80/560223580.db2.gz OAYKQFMUHNRKTM-UHFFFAOYSA-N -1 1 328.276 2.609 1 0 biogenic,in-vitro EFAFMM COc1c(O)cccc1-c1coc2cc3c(c([O-])c2c1=O)OCO3 ZINC000014645872 560223582 /nfs/dbraw/zinc/22/35/82/560223582.db2.gz OAYKQFMUHNRKTM-UHFFFAOYSA-N -1 1 328.276 2.609 1 0 biogenic,in-vitro EFAFMM CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000028638785 202174294 /nfs/dbraw/zinc/17/42/94/202174294.db2.gz HSZXFGDFIVVLKP-CYBMUJFWSA-N -1 1 345.367 2.749 1 0 EFAFMM O=C1[N-]C(=S)N/C1=C\c1cc2c(s1)sc1ccccc1c2=O ZINC000005541734 201655051 /nfs/dbraw/zinc/65/50/51/201655051.db2.gz FMKNPXKFOWSHER-POHAHGRESA-N -1 1 344.442 2.821 1 0 EFAFMM Cc1cccc([N-]S(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1C ZINC000073129440 203256068 /nfs/dbraw/zinc/25/60/68/203256068.db2.gz DUMAYLPGWPDAAG-UHFFFAOYSA-N -1 1 345.424 2.634 1 0 EFAFMM CC(=O)c1ccc(-c2ccc(C=C3NC(=S)[N-]C3=O)s2)cc1 ZINC000103224334 204067724 /nfs/dbraw/zinc/06/77/24/204067724.db2.gz WFUGZULNRVPTCB-MDWZMJQESA-N -1 1 328.418 2.963 1 0 EFAFMM O=C1C2=C(CCCC2)[C@H](O)N1c1cc([O-])c(Br)cc1F ZINC000103207193 204067937 /nfs/dbraw/zinc/06/79/37/204067937.db2.gz ASVRSEQQMKRINU-ZDUSSCGKSA-N -1 1 342.164 2.829 1 0 EFAFMM COc1cc([O-])c2c(=O)c(-c3cccc(O)c3OC)coc2c1O ZINC000014645888 560223794 /nfs/dbraw/zinc/22/37/94/560223794.db2.gz YWXPBUCOUVZMST-UHFFFAOYSA-N -1 1 330.292 2.594 1 0 biogenic,in-vitro EFAFMM NC(=O)c1cccc2nc(-c3ccc(-c4nc(=O)s[n-]4)cc3)[nH]c21 ZINC000045317496 581100528 /nfs/dbraw/zinc/10/05/28/581100528.db2.gz QEBFEDZTAJTWJK-UHFFFAOYSA-N -1 1 337.364 2.553 1 0 EFAFMM O=C1[N-]C(=S)NC1=Cc1cccc(-c2cc(=O)c3ccccc3o2)c1 ZINC000103286056 219283597 /nfs/dbraw/zinc/28/35/97/219283597.db2.gz QKQBDHIHDYTIKV-NTEUORMPSA-N -1 1 348.383 2.805 1 0 EFAFMM CC(C)Cc1nc2cc(O)cc([O-])c2c(=O)n1-c1ccc(O)cc1 ZINC000028571692 212626030 /nfs/dbraw/zinc/62/60/30/212626030.db2.gz HZRBGBZHXGDGSX-UHFFFAOYSA-N -1 1 326.352 2.701 1 0 EFAFMM Cc1nn(-c2ccccc2C)c2c1c1c(c3cccn32)C(=O)[N-]C1=O ZINC000103254137 219276101 /nfs/dbraw/zinc/27/61/01/219276101.db2.gz QGKSHMYSXCOXNO-UHFFFAOYSA-N -1 1 330.347 2.779 1 0 EFAFMM CC[C@@H]1Cc2cc(OCc3nn[n-]n3)c(Cl)c(Cl)c2C1=O ZINC000039220354 213233218 /nfs/dbraw/zinc/23/32/18/213233218.db2.gz LFFXKNAQIWLQRO-ZCFIWIBFSA-N -1 1 327.171 2.851 1 0 EFAFMM CCCN1CNc2c(c(=O)[n-]c(=S)n2CCc2ccsc2)C1 ZINC000036380856 213091732 /nfs/dbraw/zinc/09/17/32/213091732.db2.gz ZKJCQRQASUQRQJ-UHFFFAOYSA-N -1 1 336.486 2.805 1 0 EFAFMM COc1cc2[n-]c(=S)n(NC(=O)CC(C)C)c(=O)c2cc1OC ZINC000239309563 474544660 /nfs/dbraw/zinc/54/46/60/474544660.db2.gz HRZRZHIYTMSIEX-UHFFFAOYSA-N -1 1 337.401 2.605 3 0 EFAFMM COc1cc2oc(-c3ccccc3O)c(OC)c(=O)c2c([O-])c1OC ZINC000014644235 560223585 /nfs/dbraw/zinc/22/35/85/560223585.db2.gz CYIGDLOKZNAESA-UHFFFAOYSA-N -1 1 344.319 2.897 1 0 biogenic,in-vitro EFAFMM COc1cc([O-])c2c(=O)cc(-c3cc(OC)c(OC)cc3O)oc2c1 ZINC000014644365 560223600 /nfs/dbraw/zinc/22/36/00/560223600.db2.gz GAZAWYKMEQJTCX-UHFFFAOYSA-N -1 1 344.319 2.897 1 0 in-vitro EFAFMM COc1ccc([C@H]2COc3cc([O-])ccc3C2=O)c(OC)c1OC ZINC000014758835 560225506 /nfs/dbraw/zinc/22/55/06/560225506.db2.gz IFIRIIBDWLSFFH-CYBMUJFWSA-N -1 1 330.336 2.777 1 0 biogenic,in-vitro EFAFMM O=C1c2c(c(=O)c3ccc[nH]c-3c2[O-])C(=O)N1Cc1ccc(F)cc1 ZINC000003949096 210093713 /nfs/dbraw/zinc/09/37/13/210093713.db2.gz KIDFUEXTTMYIDW-UHFFFAOYSA-N -1 1 338.294 2.581 1 0 EFAFMM Cc1[n-][nH]c(=O)c1[C@H]1CC(c2c[nH]c3ccccc23)=NN=C1Cl ZINC000102977635 219245068 /nfs/dbraw/zinc/24/50/68/219245068.db2.gz MDUITUKXEMODLB-QMTHXVAHSA-N -1 1 327.775 2.651 1 0 EFAFMM CCOC(=O)C1=C(N)Oc2cc([O-])c(Cl)cc2[C@@H]1c1cccnc1 ZINC000103251853 219275552 /nfs/dbraw/zinc/27/55/52/219275552.db2.gz KXPQTMGHWJKZHL-AWEZNQCLSA-N -1 1 346.770 2.698 1 0 EFAFMM COc1cc([O-])c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1 ZINC000012153750 211309506 /nfs/dbraw/zinc/30/95/06/211309506.db2.gz OEEUHNAUMMATJT-UHFFFAOYSA-N -1 1 344.319 2.897 1 0 biogenic,in-vitro EFAFMM O=c1nc2[nH]c3ccc(N4CCN(c5ccccc5)CC4)cc3cc-2[n-]1 ZINC000000002869 527442684 /nfs/dbraw/zinc/44/26/84/527442684.db2.gz KMCQDRJICRAFJD-UHFFFAOYSA-N -1 1 345.406 2.731 1 0 EFAFMM COc1cc2oc(-c3cc(O)ccc3O)cc(=O)c2c([O-])c1OC ZINC000069482338 560078354 /nfs/dbraw/zinc/07/83/54/560078354.db2.gz OVLZEMCEQGMCNV-UHFFFAOYSA-N -1 1 330.292 2.594 1 0 biogenic,in-vitro EFAFMM COc1cc([O-])c2c(=O)c(O)c(-c3cccc(O)c3OC)oc2c1 ZINC000014644144 560223591 /nfs/dbraw/zinc/22/35/91/560223591.db2.gz NFQZMQAILPAEBD-UHFFFAOYSA-N -1 1 330.292 2.594 1 0 biogenic,in-vitro EFAFMM COc1cc([O-])c2c(=O)c(-c3cccc(O)c3OC)coc2c1OC ZINC000014645892 560223762 /nfs/dbraw/zinc/22/37/62/560223762.db2.gz HTEIWRHFLLWBPH-UHFFFAOYSA-N -1 1 344.319 2.897 1 0 biogenic,in-vitro EFAFMM Cc1[n-][nH]c(=O)c1[C@@H]1CC(c2c[nH]c3ccccc23)=NN=C1Cl ZINC000102977631 204057420 /nfs/dbraw/zinc/05/74/20/204057420.db2.gz MDUITUKXEMODLB-IINYFYTJSA-N -1 1 327.775 2.651 1 0 EFAFMM COc1cc2oc(-c3ccc4c(c3)OCO4)cc(=O)c2c([O-])c1OC ZINC000014644872 560223562 /nfs/dbraw/zinc/22/35/62/560223562.db2.gz ICUTWTIGUGEDEI-UHFFFAOYSA-N -1 1 342.303 2.912 1 0 biogenic,in-vitro EFAFMM COc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc(OC)c1O ZINC000014643822 560223657 /nfs/dbraw/zinc/22/36/57/560223657.db2.gz KCFYHBSOLOXZIF-LBPRGKRZSA-N -1 1 332.308 2.527 1 0 biogenic,in-vitro EFAFMM CCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1OCCOC ZINC000003434555 210039019 /nfs/dbraw/zinc/03/90/19/210039019.db2.gz XGZOETPBZYVAMS-UHFFFAOYSA-N -1 1 341.351 2.882 3 0 EFAFMM Cc1[n-][nH]c(=O)c1[C@@H]1CC(c2c[nH]c3ccccc23)=NN=C1Cl ZINC000102977629 219244747 /nfs/dbraw/zinc/24/47/47/219244747.db2.gz MDUITUKXEMODLB-HZMBPMFUSA-N -1 1 327.775 2.651 1 0 EFAFMM O=C1[N-]C(=O)c2c3cccn3c3c(cnn3-c3ccccc3Cl)c21 ZINC000103254118 219277347 /nfs/dbraw/zinc/27/73/47/219277347.db2.gz MGQFXPFVHOHVSX-UHFFFAOYSA-N -1 1 336.738 2.815 1 0 EFAFMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCNC2=O)cc1 ZINC000073129437 216353706 /nfs/dbraw/zinc/35/37/06/216353706.db2.gz SXAHQEGYBAQQKR-UHFFFAOYSA-N -1 1 345.424 2.579 1 0 EFAFMM COc1cc2[n-]cc(C(=O)NCc3cccs3)c(=O)c2cc1OC ZINC000012498417 211392942 /nfs/dbraw/zinc/39/29/42/211392942.db2.gz UEFUHCDVHKNBRS-UHFFFAOYSA-N -1 1 344.392 2.949 3 0 EFAFMM CSc1nn2c(nc(C)cc2C)c1S(=O)(=O)c1ccc([O-])cc1 ZINC000066077582 215006802 /nfs/dbraw/zinc/00/68/02/215006802.db2.gz KVSJSNMBDMWWIA-UHFFFAOYSA-N -1 1 349.437 2.606 1 0 EFAFMM Cc1cc(C[N@H+]2Cc3ccccc3[C@@H]2C(=O)[O-])ccc1OCC(=O)[O-] ZINC000066112491 215014542 /nfs/dbraw/zinc/01/45/42/215014542.db2.gz FTRRTRJWEPYIES-GOSISDBHSA-N -1 1 341.363 2.600 1 0 EFAFMM COC(=O)c1ccc(-c2ccc(/C=C3/NC(=S)[N-]C3=O)s2)cc1 ZINC000103224340 219272118 /nfs/dbraw/zinc/27/21/18/219272118.db2.gz FZGIQQOPLUIPRC-XYOKQWHBSA-N -1 1 344.417 2.547 1 0 EFAFMM CC(=O)N(CCC[P@](=O)([O-])O)OCc1ccc(C(C)C)cc1 ZINC000103301482 219287437 /nfs/dbraw/zinc/28/74/37/219287437.db2.gz ZPDRUNIBTGGKPU-UHFFFAOYSA-N -1 1 329.333 2.658 1 0 EFAFMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 ZINC000073141551 216355360 /nfs/dbraw/zinc/35/53/60/216355360.db2.gz YYLRJPUWIFEWIL-UHFFFAOYSA-N -1 1 345.424 2.634 1 0 EFAFMM COc1cc(=O)c2c([O-])c(-c3cc(O)c(OC)c(OC)c3)coc-2c1 ZINC000014645975 560223828 /nfs/dbraw/zinc/22/38/28/560223828.db2.gz KIIFCUFZMOWDHR-UHFFFAOYSA-N -1 1 344.319 2.897 1 0 biogenic,in-vitro EFAFMM COc1cc([O-])c2c(=O)c(-c3cc(O)c(OC)c(OC)c3)coc2c1 ZINC000014645975 560223829 /nfs/dbraw/zinc/22/38/29/560223829.db2.gz KIIFCUFZMOWDHR-UHFFFAOYSA-N -1 1 344.319 2.897 1 0 biogenic,in-vitro EFAFMM Cc1ccc(-n2cnc3c(sc4[n-]c(=S)nc(N)c34)c2=O)cc1 ZINC000049070495 213984153 /nfs/dbraw/zinc/98/41/53/213984153.db2.gz LJGGUEQZSZKWTD-UHFFFAOYSA-N -1 1 341.421 2.944 1 0 EFAFMM Cn1c(CNc2ccc(-c3n[n-]c(=S)n3C)cc2)n[nH]c1=S ZINC000003597230 210062018 /nfs/dbraw/zinc/06/20/18/210062018.db2.gz FHEABCIDSRLATM-UHFFFAOYSA-N -1 1 333.446 2.548 1 0 EFAFMM O=C1[N-]C(=O)c2c3cccn3c3c(cnn3-c3cccc(Cl)c3)c21 ZINC000103254122 219276759 /nfs/dbraw/zinc/27/67/59/219276759.db2.gz FKAUBXQKBAQJIH-UHFFFAOYSA-N -1 1 336.738 2.815 1 0 EFAFMM O=c1[n-]nc(SCc2ccccc2)n1-c1ccc2c(c1)OCCO2 ZINC000040891974 213397642 /nfs/dbraw/zinc/39/76/42/213397642.db2.gz OBMSLHGPQUTYFU-UHFFFAOYSA-N -1 1 341.392 2.624 1 0 EFAFMM Cc1ccc(-c2cc(Cl)cc(C(=O)Nc3nn[n-]n3)n2)cc1C ZINC000029314919 212662075 /nfs/dbraw/zinc/66/20/75/212662075.db2.gz ZATBPLOIVYHFBI-UHFFFAOYSA-N -1 1 328.763 2.784 1 0 EFAFMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 ZINC000073129600 216353763 /nfs/dbraw/zinc/35/37/63/216353763.db2.gz WKQYUKAIKYPIEJ-UHFFFAOYSA-N -1 1 345.424 2.634 1 0 EFAFMM COc1ccc([C@@H]2COc3cc([O-])ccc3C2=O)c(OC)c1OC ZINC000014758833 560225452 /nfs/dbraw/zinc/22/54/52/560225452.db2.gz IFIRIIBDWLSFFH-ZDUSSCGKSA-N -1 1 330.336 2.777 1 0 biogenic,in-vitro EFAFMM Cc1cc(NC(=O)c2cccc(NC(=N)N)c2)ccc1C=CC(=O)[O-] ZINC000029246810 202182842 /nfs/dbraw/zinc/18/28/42/202182842.db2.gz HCUONOGSJKCNGD-SOFGYWHQSA-N -1 1 338.367 2.650 1 0 EFAFMM Cn1nccc1NC(=O)c1c[n-]c2c(cccc2C(F)(F)F)c1=O ZINC000029235470 202183399 /nfs/dbraw/zinc/18/33/99/202183399.db2.gz IYPHADSFJYHQNF-UHFFFAOYSA-N -1 1 336.273 2.533 1 0 EFAFMM COC(=O)/C=C/c1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1 ZINC000036383151 202323585 /nfs/dbraw/zinc/32/35/85/202323585.db2.gz JZYGWUDNNLHDBF-JXMROGBWSA-N -1 1 335.356 2.813 1 0 EFAFMM Cn1c(=O)c(NC(=O)c2cc3ccccc3[nH]2)c([O-])c2ccccc21 ZINC000102972533 204056287 /nfs/dbraw/zinc/05/62/87/204056287.db2.gz QKPDPVLFIYXWJX-UHFFFAOYSA-N -1 1 333.347 2.978 1 0 EFAFMM COc1ccc(Cc2coc3c(C)c([O-])c(C=O)c(O)c3c2=O)cc1 ZINC000013310197 560214122 /nfs/dbraw/zinc/21/41/22/560214122.db2.gz MPUAHKMJGSMMIL-UHFFFAOYSA-N -1 1 340.331 2.925 1 0 biogenic,in-vitro EFAFMM CC(=O)c1cccc(N=C2CC[C@H](C)n3c(=O)c(C(=O)[O-])cnc32)c1 ZINC000101508734 219129606 /nfs/dbraw/zinc/12/96/06/219129606.db2.gz LDASXDBBYZNXIP-JTQLQIEISA-N -1 1 339.351 2.562 1 0 EFAFMM Cc1cc(=O)[n-]c(SCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1 ZINC000012311897 211342883 /nfs/dbraw/zinc/34/28/83/211342883.db2.gz VYSADEFJXUSUTF-SJCJKPOMSA-N -1 1 335.473 2.598 1 0 EFAFMM CCOc1c([O-])n(-c2cccc(Br)c2)ncc1=S ZINC000100433039 219099029 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NLHRGNLKJDMJQR-UHFFFAOYSA-N -1 1 345.362 2.703 1 0 EFAFMM