smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(CCC)c1nc(Cc2c(F)cccc2F)c(C)c(=O)[n-]1 ZINC000028866204 202178427 /nfs/dbraw/zinc/17/84/27/202178427.db2.gz SVGRBGSDDCOVSX-UHFFFAOYSA-N -1 3 335.398 3.574 1 0 EHAFHM COc1ccc(-c2nn(C(=O)c3ccc([O-])cc3)c(=S)s2)cc1 ZINC000103282861 204072322 /nfs/dbraw/zinc/07/23/22/204072322.db2.gz VYEPFTKPKSCRRG-UHFFFAOYSA-N -1 3 344.417 3.744 1 0 EHAFHM CS(=O)(=O)[N-]c1ccncc1Oc1ccc(Cl)cc1Cl ZINC000013586675 201365948 /nfs/dbraw/zinc/36/59/48/201365948.db2.gz YALPORKUDWSYAM-UHFFFAOYSA-N -1 3 333.196 3.552 1 0 EHAFHM COc1ccc(Cc2cccc(I)c2[O-])cc1 ZINC000072482050 203233412 /nfs/dbraw/zinc/23/34/12/203233412.db2.gz PWFIXMUJDPBVDN-UHFFFAOYSA-N -1 3 340.160 3.596 2 0 EHAFHM O=c1[n-]cnc2c1[C@@H](c1ccccc1)c1ccc3cccnc3c1O2 ZINC000103290761 204073120 /nfs/dbraw/zinc/07/31/20/204073120.db2.gz UJJFIKALWCUMJE-HNNXBMFYSA-N -1 3 327.343 3.604 1 0 EHAFHM O=C([N-]C(=S)NC12CC3CC(CC(C3)C1)C2)Oc1ccccc1 ZINC000033494170 202262990 /nfs/dbraw/zinc/26/29/90/202262990.db2.gz WBXNJYFKHKHSQN-UHFFFAOYSA-N -1 3 330.453 3.618 1 0 EHAFHM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])cs2)cc1 ZINC000073296577 203262637 /nfs/dbraw/zinc/26/26/37/203262637.db2.gz VJEUAMRGXUPVET-KRWDZBQOSA-N -1 3 335.432 3.776 1 0 EHAFHM Cc1c(=O)[n-]c(N2CCCCCC2)nc1[C@H](C)c1c(F)cccc1F ZINC000028866758 202179158 /nfs/dbraw/zinc/17/91/58/202179158.db2.gz PRPZOZFRKPGSLL-GFCCVEGCSA-N -1 3 347.409 3.889 1 0 EHAFHM Cc1ccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)[N-]C3=O)cc1 ZINC000034804169 202277718 /nfs/dbraw/zinc/27/77/18/202277718.db2.gz VVQLTBMDKFGZNY-UHFFFAOYSA-N -1 3 342.354 3.886 1 0 EHAFHM Cc1noc2c1[C@@H](c1ccc(Br)cc1)SCC(=O)[N-]2 ZINC000073220697 203260706 /nfs/dbraw/zinc/26/07/06/203260706.db2.gz NUODFLXPXBUAKD-GFCCVEGCSA-N -1 3 339.214 3.520 1 0 EHAFHM C[C@H]1Oc2cc([O-])c3c(c2C1(C)C)O[C@@H](c1ccc(O)cc1)CC3=O ZINC000014825096 291003547 /nfs/dbraw/zinc/00/35/47/291003547.db2.gz KITUBOBTRYFYBY-MEBBXXQBSA-N -1 3 340.375 3.863 1 0 biogenic,in-vitro EHAFHM COc1cc2c([O-])c3c(c(-c4ccccc4)c2cc1OC)C(=O)OC3 ZINC000103187909 204066648 /nfs/dbraw/zinc/06/66/48/204066648.db2.gz KVSGKQFFPGWQDP-UHFFFAOYSA-N -1 3 336.343 3.900 1 0 EHAFHM O=C(Nc1ccccc1NC(=O)c1ccc(O)cc1)c1ccc([O-])cc1 ZINC000029404567 202186773 /nfs/dbraw/zinc/18/67/73/202186773.db2.gz AJKDXRGCWFSRHR-UHFFFAOYSA-N -1 3 348.358 3.602 1 0 EHAFHM O=C1[C@@H]2CCCC[C@H]2N=C(c2ccccc2[O-])N1CCc1ccccc1 ZINC000028523866 202171443 /nfs/dbraw/zinc/17/14/43/202171443.db2.gz CVVOQWRQKUEKTG-IEBWSBKVSA-N -1 3 348.446 3.783 1 0 EHAFHM COc1ccc2c(c1)c(OC(C)C)c(-c1nnn[n-]1)n2-c1ccccc1 ZINC000028769484 202176756 /nfs/dbraw/zinc/17/67/56/202176756.db2.gz RLCWLYLFLBWWBV-UHFFFAOYSA-N -1 3 349.394 3.606 1 0 EHAFHM COc1ccc2c(c1)c(OC(C)C)c(-c1nn[n-]n1)n2-c1ccccc1 ZINC000028769484 202176758 /nfs/dbraw/zinc/17/67/58/202176758.db2.gz RLCWLYLFLBWWBV-UHFFFAOYSA-N -1 3 349.394 3.606 1 0 EHAFHM Cc1c(=O)[n-]c(N2CCCCCC2)nc1[C@@H](C)c1c(F)cccc1F ZINC000028866761 202178419 /nfs/dbraw/zinc/17/84/19/202178419.db2.gz PRPZOZFRKPGSLL-LBPRGKRZSA-N -1 3 347.409 3.889 1 0 EHAFHM Cc1c(=O)[n-]c(N2CCC[C@@H](C)C2)nc1[C@@H](C)c1c(F)cccc1F ZINC000028866748 135741852 /nfs/dbraw/zinc/74/18/52/135741852.db2.gz BYCKKLNCIFUEKA-NEPJUHHUSA-N -1 3 347.409 3.745 1 0 EHAFHM O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc2c([O-])cccc2n1 ZINC000028572148 202172695 /nfs/dbraw/zinc/17/26/95/202172695.db2.gz CHVQXALUNKPSLR-BFUOFWGJSA-N -1 3 336.778 3.971 1 0 EHAFHM O=C(c1ccsc1)C1c2cccc([O-])c2C(=O)c2c(O)cccc21 ZINC000027556127 202156088 /nfs/dbraw/zinc/15/60/88/202156088.db2.gz FMJMNLYBVODXAO-UHFFFAOYSA-N -1 3 336.368 3.719 1 0 EHAFHM Cc1c(=O)[n-]c(N(C)C2CCCCC2)nc1Cc1c(F)cccc1F ZINC000028866198 202178943 /nfs/dbraw/zinc/17/89/43/202178943.db2.gz QLQRSWWVIKCQDH-UHFFFAOYSA-N -1 3 347.409 3.716 1 0 EHAFHM Nc1nc(=O)[n-]c2c1[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000103290776 219285027 /nfs/dbraw/zinc/28/50/27/219285027.db2.gz KQXAJSLBLWQJHK-INIZCTEOSA-N -1 3 341.370 3.791 1 0 EHAFHM CCOC(=O)C=Cc1c(=O)[n-]cnc1Oc1ccc(C(C)(C)C)cc1 ZINC000072177425 216066289 /nfs/dbraw/zinc/06/62/89/216066289.db2.gz NZASBTAKGQGLLK-ZHACJKMWSA-N -1 3 342.395 3.848 1 0 EHAFHM CC(C)(O)CCc1c([O-])ccc2c1O[C@@H](c1ccc(O)cc1)CC2=O ZINC000015115078 290998375 /nfs/dbraw/zinc/99/83/75/290998375.db2.gz RFBOXBGSYTWSBN-GOSISDBHSA-N -1 3 342.391 3.508 1 0 biogenic,in-vitro EHAFHM O=S(=O)(c1ccc([O-])cc1)N(c1ccccc1)C1CCCCC1 ZINC000028570099 581102241 /nfs/dbraw/zinc/10/22/41/581102241.db2.gz INJVHCJLNBTEGC-UHFFFAOYSA-N -1 3 331.437 3.920 1 0 in-vivo EHAFHM COc1cccc(C(=O)c2cccn2-c2cc(F)c([O-])c(F)c2)c1 ZINC000066099974 215010164 /nfs/dbraw/zinc/01/01/64/215010164.db2.gz VDBUHKUPHPCRSG-UHFFFAOYSA-N -1 3 329.302 3.701 1 0 EHAFHM COc1cc(-c2oc3cc(=O)cc([O-])c-3cc2OC)cc(OC)c1O ZINC000095913675 291002394 /nfs/dbraw/zinc/00/23/94/291002394.db2.gz GXYSHDPUDFPNHL-UHFFFAOYSA-O -1 3 345.327 3.524 1 0 biogenic,in-vitro EHAFHM CCSc1nnc([N-]C(=O)c2cnc3c(C)csc3c2)s1 ZINC000072323084 216149817 /nfs/dbraw/zinc/14/98/17/216149817.db2.gz WFVLAHRXIPFASZ-UHFFFAOYSA-N -1 3 336.467 3.821 2 0 EHAFHM CN(C)CCS[C@@H]1c2ccccc2COc2ccc(C(=O)[O-])cc21 ZINC000003794642 210075619 /nfs/dbraw/zinc/07/56/19/210075619.db2.gz REZNTTJXTCGLCG-GOSISDBHSA-N -1 3 343.448 3.661 1 0 EHAFHM O=C1CCC2(Oc3cccc4cccc(c43)O2)c2c([O-])ccc(O)c21 ZINC000040848185 213393417 /nfs/dbraw/zinc/39/34/17/213393417.db2.gz CDNGGUFYOISKCW-UHFFFAOYSA-N -1 3 334.327 3.852 1 0 EHAFHM COc1cc2ccc1Oc1cc(ccc1[O-])[C@H](O)CC(=O)CCCC2 ZINC000015251169 571737477 /nfs/dbraw/zinc/73/74/77/571737477.db2.gz LSAKHXDZRQBYTG-QGZVFWFLSA-N -1 3 342.391 3.912 1 0 endogenous,in-man EHAFHM COc1cc([O-])c2c(c1)[nH]cc(-c1cccc(Br)c1)c2=O ZINC000103229487 219272868 /nfs/dbraw/zinc/27/28/68/219272868.db2.gz GVPKJJACYKKREZ-UHFFFAOYSA-N -1 3 346.180 3.672 1 0 EHAFHM COc1cc(=O)c2c([O-])c(-c3cccc(Br)c3)c[nH]c-2c1 ZINC000103229487 219272870 /nfs/dbraw/zinc/27/28/70/219272870.db2.gz GVPKJJACYKKREZ-UHFFFAOYSA-N -1 3 346.180 3.672 1 0 EHAFHM COc1cc2c(cc1[O-])[C@@H](c1ccc(O)c(OC)c1)[C@H](C)[C@@H](C)C2=O ZINC000014726855 291002400 /nfs/dbraw/zinc/00/24/00/291002400.db2.gz WFNWOPFVZGRWFA-XCJKDKRRSA-N -1 3 342.391 3.715 1 0 biogenic,in-vitro EHAFHM Cc1cc([N-]c2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)sn1 ZINC000072108920 216010876 /nfs/dbraw/zinc/01/08/76/216010876.db2.gz QHNJBHCDCYTMNB-UHFFFAOYSA-N -1 3 337.412 3.505 1 0 EHAFHM c1c(-c2nnn[n-]2)c(-c2cccc3ccccc32)nn1-c1ccccc1 ZINC000103195355 219268072 /nfs/dbraw/zinc/26/80/72/219268072.db2.gz CHGXAZPUAYTTPS-UHFFFAOYSA-N -1 3 338.374 3.873 1 0 EHAFHM O=c1[n-]cnc2c1[C@H](c1ccccc1)c1ccc3cccnc3c1O2 ZINC000103290759 219285687 /nfs/dbraw/zinc/28/56/87/219285687.db2.gz UJJFIKALWCUMJE-OAHLLOKOSA-N -1 3 327.343 3.604 1 0 EHAFHM O=C([N-]C(=O)c1nc2cc(Cl)ccc2[nH]1)Nc1ccc(Cl)cc1 ZINC000103289137 219284525 /nfs/dbraw/zinc/28/45/25/219284525.db2.gz SHJGJMSURCVSQW-UHFFFAOYSA-N -1 3 349.177 3.832 1 0 EHAFHM COc1ccc2c(c1)[nH]c1c2cc(C=O)c([O-])c1C[C@H]1OC1(C)C ZINC000072116281 216012236 /nfs/dbraw/zinc/01/22/36/216012236.db2.gz DLFPRMDUAKMAEL-MRXNPFEDSA-N -1 3 325.364 3.568 1 0 EHAFHM O=C(Nc1ccc([O-])cc1Cl)c1cc(NC2CCCCC2)ncn1 ZINC000049525585 214013664 /nfs/dbraw/zinc/01/36/64/214013664.db2.gz JCXGHZCWAHCYGY-UHFFFAOYSA-N -1 3 346.818 3.833 1 0 EHAFHM [O-]c1csc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)n1 ZINC000073296105 216374082 /nfs/dbraw/zinc/37/40/82/216374082.db2.gz QVXSGBCTYAQMEU-INIZCTEOSA-N -1 3 339.395 3.606 1 0 EHAFHM Cc1ccc(C2=NN(c3nc([O-])cs3)[C@H](c3ccccc3)C2)cc1 ZINC000073297898 216374211 /nfs/dbraw/zinc/37/42/11/216374211.db2.gz OQVSAKUFJLVWSE-KRWDZBQOSA-N -1 3 335.432 3.776 1 0 EHAFHM CC(C)Cc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O ZINC000014971010 211779393 /nfs/dbraw/zinc/77/93/93/211779393.db2.gz ZYVQEHNABDHJGN-KRWDZBQOSA-N -1 3 328.364 3.708 1 0 in-vivo EHAFHM Clc1ccc(Oc2cncc3sc(-c4nnn[n-]4)cc32)cc1 ZINC000040379182 213294527 /nfs/dbraw/zinc/29/45/27/213294527.db2.gz ULMZCAWRPCELOE-UHFFFAOYSA-N -1 3 329.772 3.922 1 0 EHAFHM O=S(=O)([N-]c1ccncc1Cl)c1cccc(Cl)c1Cl ZINC000003328754 210009262 /nfs/dbraw/zinc/00/92/62/210009262.db2.gz MVINKPHHFRZGMH-UHFFFAOYSA-N -1 3 337.615 3.843 3 0 EHAFHM COc1c(OC(C)C)cc(=O)c2c([O-])cc(-c3ccc(O)cc3)oc1-2 ZINC000103208068 219270758 /nfs/dbraw/zinc/27/07/58/219270758.db2.gz OBNGERGWZDHLKG-UHFFFAOYSA-N -1 3 342.347 3.667 1 0 EHAFHM COc1cc([O-])c2c(c1)[nH]cc(-c1ccc(Br)cc1)c2=O ZINC000103229480 219272399 /nfs/dbraw/zinc/27/23/99/219272399.db2.gz SGHUXLUSBOMDDZ-UHFFFAOYSA-N -1 3 346.180 3.672 1 0 EHAFHM COc1cc(=O)c2c([O-])c(-c3ccc(Br)cc3)c[nH]c-2c1 ZINC000103229480 219272402 /nfs/dbraw/zinc/27/24/02/219272402.db2.gz SGHUXLUSBOMDDZ-UHFFFAOYSA-N -1 3 346.180 3.672 1 0 EHAFHM COc1ccc2c(c1)[nH]c1c2cc(C=O)c([O-])c1C[C@@H]1OC1(C)C ZINC000072116280 216012421 /nfs/dbraw/zinc/01/24/21/216012421.db2.gz DLFPRMDUAKMAEL-INIZCTEOSA-N -1 3 325.364 3.568 1 0 EHAFHM Nc1nc(=O)[n-]c2c1[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000103290771 219285377 /nfs/dbraw/zinc/28/53/77/219285377.db2.gz RCBCWBCBQCVADP-INIZCTEOSA-N -1 3 341.370 3.791 1 0 EHAFHM O=C1[N-]C(=O)c2c1c1c(cc2-c2ccccc2)oc2ccc(O)cc21 ZINC000036161196 213074225 /nfs/dbraw/zinc/07/42/25/213074225.db2.gz GTWCKDOFAQMNIF-UHFFFAOYSA-N -1 3 329.311 3.842 1 0 EHAFHM COc1cc2ccc1Oc1cc(ccc1[O-])[C@@H](O)CC(=O)CCCC2 ZINC000015251173 571737510 /nfs/dbraw/zinc/73/75/10/571737510.db2.gz LSAKHXDZRQBYTG-KRWDZBQOSA-N -1 3 342.391 3.912 1 0 endogenous,in-man EHAFHM NC(=O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc([O-])ccc32)cc1 ZINC000013673486 581101599 /nfs/dbraw/zinc/10/15/99/581101599.db2.gz YMUNHDVCHMLVMN-UHFFFAOYSA-N -1 3 343.382 3.712 1 0 EHAFHM COc1cccc(C(=O)c2ccn(-c3cc(F)c([O-])c(F)c3)c2)c1 ZINC000066099970 215009860 /nfs/dbraw/zinc/00/98/60/215009860.db2.gz RAFLAMXOHBZLHF-UHFFFAOYSA-N -1 3 329.302 3.701 1 0 EHAFHM Cc1ccc(-c2c3c(c([O-])c4cc5c(cc42)OCO5)COC3=O)cc1 ZINC000103172176 219266017 /nfs/dbraw/zinc/26/60/17/219266017.db2.gz AAUJPOQBZNLLDP-UHFFFAOYSA-N -1 3 334.327 3.920 1 0 EHAFHM O=C1[N-]C(=O)c2c1c1c(cc2-c2ccccc2)[nH]c2cccc(O)c21 ZINC000036471129 213099773 /nfs/dbraw/zinc/09/97/73/213099773.db2.gz HCJBCNCDISDDQI-UHFFFAOYSA-N -1 3 328.327 3.577 1 0 EHAFHM [O-]c1csc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)n1 ZINC000073310359 216376767 /nfs/dbraw/zinc/37/67/67/216376767.db2.gz RSCOISQCBWSURO-MRXNPFEDSA-N -1 3 339.395 3.606 1 0 EHAFHM Cc1c2cc(Oc3ccccc3)ccc2n2c1[C@@H](N([O-])C(N)=O)CC2 ZINC000013760631 211632950 /nfs/dbraw/zinc/63/29/50/211632950.db2.gz JEAYXPUXRGEAHW-KRWDZBQOSA-N -1 3 337.379 3.957 1 0 EHAFHM Nc1nc(=O)[n-]c2c1[C@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000103290770 219285036 /nfs/dbraw/zinc/28/50/36/219285036.db2.gz RCBCWBCBQCVADP-MRXNPFEDSA-N -1 3 341.370 3.791 1 0 EHAFHM COc1cc([O-])cc(-c2oc3c4ccoc4ccc3c(=O)c2OC)c1 ZINC000013340707 291002398 /nfs/dbraw/zinc/00/23/98/291002398.db2.gz WMVUNKYYHUBTIU-UHFFFAOYSA-N -1 3 338.315 3.929 1 0 biogenic,in-vitro EHAFHM Cc1ccc(C2=NN(c3nc([O-])cs3)[C@@H](c3ccccc3)C2)cc1 ZINC000073297902 216374516 /nfs/dbraw/zinc/37/45/16/216374516.db2.gz OQVSAKUFJLVWSE-QGZVFWFLSA-N -1 3 335.432 3.776 1 0 EHAFHM O=C1[N-]C(=O)c2c1c1c(cc2-c2cccs2)[nH]c2ccc(O)cc21 ZINC000034804047 581098072 /nfs/dbraw/zinc/09/80/72/581098072.db2.gz NVKJFZMZYDGRSH-UHFFFAOYSA-N -1 3 334.356 3.639 1 0 EHAFHM Nc1nc(=O)[n-]c2c1[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000103290774 219285605 /nfs/dbraw/zinc/28/56/05/219285605.db2.gz KQXAJSLBLWQJHK-MRXNPFEDSA-N -1 3 341.370 3.791 1 0 EHAFHM O=C1[N-]C(=O)c2c1c1c(cc2-c2ccsc2)[nH]c2ccc(O)cc21 ZINC000034804051 581098066 /nfs/dbraw/zinc/09/80/66/581098066.db2.gz IIPGMZMOBHBGDA-UHFFFAOYSA-N -1 3 334.356 3.639 1 0 EHAFHM CN(C)CCS[C@H]1c2ccccc2COc2ccc(C(=O)[O-])cc21 ZINC000004631709 210235915 /nfs/dbraw/zinc/23/59/15/210235915.db2.gz REZNTTJXTCGLCG-SFHVURJKSA-N -1 3 343.448 3.661 1 0 EHAFHM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])cs2)cc1 ZINC000073296579 216373890 /nfs/dbraw/zinc/37/38/90/216373890.db2.gz VJEUAMRGXUPVET-QGZVFWFLSA-N -1 3 335.432 3.776 1 0 EHAFHM COc1ccc2c(c1)N(C(=O)OC(C)C)[C@H](CSC)C(=S)[N-]2 ZINC000003870432 581097458 /nfs/dbraw/zinc/09/74/58/581097458.db2.gz GWKIPRVERALPRD-CYBMUJFWSA-N -1 3 340.470 3.531 1 0 EHAFHM [O-]c1ccc([C@@H]2Nc3ccccc3-c3ncnc4[nH]cc2c43)c(F)c1 ZINC000045390353 581098892 /nfs/dbraw/zinc/09/88/92/581098892.db2.gz IROWCEJAOYOCFJ-KRWDZBQOSA-N -1 3 332.338 3.985 1 0 EHAFHM COc1ccc([O-])c(-c2cc(-c3ccccc3Cl)nc(N)n2)c1 ZINC000073274715 216372526 /nfs/dbraw/zinc/37/25/26/216372526.db2.gz OGLNJIWEATXUHK-UHFFFAOYSA-N -1 3 327.771 3.760 1 0 EHAFHM O=C1[N-]C(=O)c2cc(Nc3cccc(O)c3)c(Nc3ccccc3)cc21 ZINC000073169906 216360178 /nfs/dbraw/zinc/36/01/78/216360178.db2.gz JZUCYMSNLMXCKV-UHFFFAOYSA-N -1 3 345.358 3.763 1 0 EHAFHM CC(C)c1cc2c(cc1[O-])[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)C2=O ZINC000066101250 215011419 /nfs/dbraw/zinc/01/14/19/215011419.db2.gz VUAJCLNFGUYDIL-UWVAXJGDSA-N -1 3 328.408 3.701 1 0 in-vitro EHAFHM Fc1ccccc1Cc1nc(-c2nnc(C(F)F)[n-]2)n2ccccc12 ZINC000073195926 216362110 /nfs/dbraw/zinc/36/21/10/216362110.db2.gz HMLLVUGZZGIFCS-UHFFFAOYSA-N -1 3 343.312 3.787 1 0 EHAFHM Fc1ccccc1Cc1nc(-c2nc(C(F)F)n[n-]2)n2ccccc12 ZINC000073195926 216362114 /nfs/dbraw/zinc/36/21/14/216362114.db2.gz HMLLVUGZZGIFCS-UHFFFAOYSA-N -1 3 343.312 3.787 1 0 EHAFHM Fc1ccccc1Cc1nc(-c2n[n-]c(C(F)F)n2)n2ccccc12 ZINC000073195926 216362116 /nfs/dbraw/zinc/36/21/16/216362116.db2.gz HMLLVUGZZGIFCS-UHFFFAOYSA-N -1 3 343.312 3.787 1 0 EHAFHM CC(C)(O)CCc1c([O-])ccc2c1O[C@H](c1ccc(O)cc1)CC2=O ZINC000015115077 290998373 /nfs/dbraw/zinc/99/83/73/290998373.db2.gz RFBOXBGSYTWSBN-SFHVURJKSA-N -1 3 342.391 3.508 1 0 biogenic,in-vitro EHAFHM [O-]c1csc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)n1 ZINC000073296107 216373734 /nfs/dbraw/zinc/37/37/34/216373734.db2.gz QVXSGBCTYAQMEU-MRXNPFEDSA-N -1 3 339.395 3.606 1 0 EHAFHM COc1ccc(NC(=O)c2ccsc2[N-]C(=O)C(F)(F)F)cc1 ZINC000103300928 219287330 /nfs/dbraw/zinc/28/73/30/219287330.db2.gz VTJMCUHRTQUBMQ-UHFFFAOYSA-N -1 3 344.314 3.510 1 0 EHAFHM CCc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c([O-])c2c1 ZINC000004903862 210318261 /nfs/dbraw/zinc/31/82/61/210318261.db2.gz JLDREURYNYUGAQ-UHFFFAOYSA-N -1 3 341.432 3.540 3 0 EHAFHM [O-]c1ccc([C@H]2Nc3ccccc3-c3ncnc4[nH]cc2c43)c(F)c1 ZINC000045390355 581098901 /nfs/dbraw/zinc/09/89/01/581098901.db2.gz IROWCEJAOYOCFJ-QGZVFWFLSA-N -1 3 332.338 3.985 1 0 EHAFHM COc1cc2[nH]c3c(c(=O)c2c([O-])c1CC=C(C)C)C=CCC3O ZINC000095909930 291002410 /nfs/dbraw/zinc/00/24/10/291002410.db2.gz YGENZUHDMDYFEM-SJKOYZFVSA-N -1 3 327.380 3.514 1 0 biogenic,in-vitro EHAFHM COc1ccc([O-])c(-c2cc(-c3cccc(Cl)c3)nc(N)n2)c1 ZINC000073276569 216372763 /nfs/dbraw/zinc/37/27/63/216372763.db2.gz KDHAWTOPHYPVJB-UHFFFAOYSA-N -1 3 327.771 3.760 1 0 EHAFHM [O-]c1csc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)n1 ZINC000073310357 216376643 /nfs/dbraw/zinc/37/66/43/216376643.db2.gz RSCOISQCBWSURO-INIZCTEOSA-N -1 3 339.395 3.606 1 0 EHAFHM