smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1ccc(C(=O)Nc2cccc3c2CN(CCC(C)C)C3)o1 ZINC000102757980 1031260868 /nfs/dbraw/zinc/26/08/68/1031260868.db2.gz LGSGKJBYPFXMGO-UHFFFAOYSA-N 0 1 342.439 4.040 10 0 EIAEMN Cc1oc(-c2cccs2)nc1CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000129108592 1031780188 /nfs/dbraw/zinc/78/01/88/1031780188.db2.gz HARIDRUXVXPYCH-GOEBONIOSA-N 0 1 342.468 4.182 10 0 EIAEMN C[C@](NC1CCCCCC1)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000037972269 202070667 /nfs/dbraw/zinc/07/06/67/202070667.db2.gz PVXBTANHDGZZCM-MRXNPFEDSA-N 0 1 329.271 4.006 10 0 EIAEMN Oc1ccccc1-c1n[nH]c(C=Cc2ccc(Br)cc2)n1 ZINC000033249015 202253178 /nfs/dbraw/zinc/25/31/78/202253178.db2.gz YTXGMWJOVHBVPJ-YFHOEESVSA-N 0 1 342.196 4.110 10 0 EIAEMN CCN[C@@H](c1ccc(Br)s1)c1cc(F)ccc1F ZINC000035543418 202306019 /nfs/dbraw/zinc/30/60/19/202306019.db2.gz RJBKCMJIJVLAGD-CYBMUJFWSA-N 0 1 332.213 4.488 10 0 EIAEMN CCN[C@H](CC(F)(F)F)c1cc(Br)ccc1OC ZINC000035509153 202306148 /nfs/dbraw/zinc/30/61/48/202306148.db2.gz IRSISNQWZWMRIK-SNVBAGLBSA-N 0 1 326.156 4.061 10 0 EIAEMN CN[C@@H](c1ccc(Br)s1)c1ccc(OC)cc1Cl ZINC000036768286 202332288 /nfs/dbraw/zinc/33/22/88/202332288.db2.gz XQPODAIPDBBPBT-CYBMUJFWSA-N 0 1 346.677 4.481 10 0 EIAEMN N[C@@H](c1cc(F)ccc1Br)c1c(F)cc(F)cc1F ZINC000019971709 212092997 /nfs/dbraw/zinc/09/29/97/212092997.db2.gz XYAVHYDSHPJFEQ-ZDUSSCGKSA-N 0 1 334.110 4.054 10 0 EIAEMN Cc1nc2ccc(Cl)cn2c1CN(Cc1ccccn1)CC(C)C ZINC000063855390 564082216 /nfs/dbraw/zinc/08/22/16/564082216.db2.gz SGOHXLCXKAQPII-UHFFFAOYSA-N 0 1 342.874 4.349 10 0 EIAEMN Cc1cc(CN2CCC(C)CC2)c(C)cc1I ZINC000675076000 564113280 /nfs/dbraw/zinc/11/32/80/564113280.db2.gz YIJGNZMRODCUQO-UHFFFAOYSA-N 0 1 343.252 4.140 10 0 EIAEMN Fc1cccc(-c2c(I)[nH]nc2C2CCC2)c1 ZINC000675076571 564113383 /nfs/dbraw/zinc/11/33/83/564113383.db2.gz PBSQZEQSCIUUAP-UHFFFAOYSA-N 0 1 342.155 4.088 10 0 EIAEMN COc1ccc([C@@H]2C[C@@H](C)N([C@@H](C)c3nc(C(C)C)no3)C2)cc1 ZINC000076391763 1045893905 /nfs/dbraw/zinc/89/39/05/1045893905.db2.gz QAWNFGHWIQMSAW-IJEWVQPXSA-N 0 1 329.444 4.141 10 0 EIAEMN COc1c(Br)cc(Cl)cc1[C@H](N)c1cccs1 ZINC000035379856 202300281 /nfs/dbraw/zinc/30/02/81/202300281.db2.gz KDPRQFITYJQIHC-NSHDSACASA-N 0 1 332.650 4.221 10 0 EIAEMN O=c1c2cc(Cl)ccc2[nH]c(=S)n1[C@H]1CCc2ccccc21 ZINC000073659588 202371046 /nfs/dbraw/zinc/37/10/46/202371046.db2.gz HEUISDWZUUWPKX-HNNXBMFYSA-N 0 1 328.824 4.248 10 0 EIAEMN COc1ccc(Br)cc1[C@H](N)c1cc(Cl)ccc1F ZINC000020586645 212150093 /nfs/dbraw/zinc/15/00/93/212150093.db2.gz BLEWPMXOFOKDEW-CQSZACIVSA-N 0 1 344.611 4.298 10 0 EIAEMN CCOC(=O)c1c[nH]c2c(Br)cc(C)cc2c1=S ZINC000072237392 203183766 /nfs/dbraw/zinc/18/37/66/203183766.db2.gz VDUHFFVWKDUJQZ-UHFFFAOYSA-N 0 1 326.215 4.145 10 0 EIAEMN Cc1cc(CN2CCCC[C@H]2C)c(C)cc1I ZINC000675075523 564113148 /nfs/dbraw/zinc/11/31/48/564113148.db2.gz QWNBHMWOEYKUNS-CYBMUJFWSA-N 0 1 343.252 4.282 10 0 EIAEMN Fc1ccc(-c2c(I)[nH]nc2C2CCC2)cc1 ZINC000675076243 564113322 /nfs/dbraw/zinc/11/33/22/564113322.db2.gz LYALLOZYABRMES-UHFFFAOYSA-N 0 1 342.155 4.088 10 0 EIAEMN C[C@H]1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C[C@H](C)C1 ZINC000093352383 1042844102 /nfs/dbraw/zinc/84/41/02/1042844102.db2.gz MQVKIQUQXSRWSO-WDEREUQCSA-N 0 1 336.386 4.400 10 0 EIAEMN CCOC[C@@H]1CCCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000075743705 1045845517 /nfs/dbraw/zinc/84/55/17/1045845517.db2.gz RINUENZWSRLRKG-CQSZACIVSA-N 0 1 334.847 4.244 10 0 EIAEMN COc1c(Cl)cc(CNCc2ccc3c(c2)OCO3)cc1Cl ZINC000020928409 202058507 /nfs/dbraw/zinc/05/85/07/202058507.db2.gz KTOPIYMPUGBBLA-UHFFFAOYSA-N 0 1 340.206 4.021 10 0 EIAEMN Cc1ccccc1NC(=O)CN[C@H](C)c1cccc(Br)c1 ZINC000038012592 202084090 /nfs/dbraw/zinc/08/40/90/202084090.db2.gz UVPZIPWSUPLBES-CYBMUJFWSA-N 0 1 347.256 4.047 10 0 EIAEMN COc1ccc([C@@H](N)c2ccc(Br)s2)cc1Cl ZINC000035381612 202299864 /nfs/dbraw/zinc/29/98/64/202299864.db2.gz GWQCEKKKDNDYFF-GFCCVEGCSA-N 0 1 332.650 4.221 10 0 EIAEMN CN[C@@H](c1ccc(C)s1)c1ccc(OC)cc1Br ZINC000037445161 202342722 /nfs/dbraw/zinc/34/27/22/202342722.db2.gz CQBDXSVWSVKVLT-CQSZACIVSA-N 0 1 326.259 4.136 10 0 EIAEMN CCOc1cc(CNCc2ccccc2OC)cc(Cl)c1OCC ZINC000013720543 563716457 /nfs/dbraw/zinc/71/64/57/563716457.db2.gz QXSHJSCAIGOZNT-UHFFFAOYSA-N 0 1 349.858 4.436 10 0 EIAEMN c1csc(C2=CCN(Cc3ccc(N4CCCC4)nc3)CC2)c1 ZINC000093533755 1039712777 /nfs/dbraw/zinc/71/27/77/1039712777.db2.gz AVTUTNWGNJJEHG-UHFFFAOYSA-N 0 1 325.481 4.033 10 0 EIAEMN CCc1ccc([C@H]2c3cccn3CCCN2Cc2cccnc2)cc1 ZINC000037522956 213152854 /nfs/dbraw/zinc/15/28/54/213152854.db2.gz KGWMOYHMSVWPOE-QFIPXVFZSA-N 0 1 331.463 4.441 10 0 EIAEMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(I)cc1 ZINC000037260252 202337657 /nfs/dbraw/zinc/33/76/57/202337657.db2.gz ZNZPPWGQZDBICJ-MNOVXSKESA-N 0 1 341.192 4.296 10 0 EIAEMN Cc1nn(-c2ccccc2)c(O)c(-c2cccc3ccccc32)c1=O ZINC000255976733 201190571 /nfs/dbraw/zinc/19/05/71/201190571.db2.gz HMELGWQUCXIECA-UHFFFAOYSA-N 0 1 328.371 4.067 10 0 EIAEMN CN[C@H](c1sccc1Br)c1ccc(OC)c(Cl)c1 ZINC000104301231 204104560 /nfs/dbraw/zinc/10/45/60/204104560.db2.gz TXYPSXKMIANPFI-LBPRGKRZSA-N 0 1 346.677 4.481 10 0 EIAEMN CCCCc1ccc(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1 ZINC000040173909 258003692 /nfs/dbraw/zinc/00/36/92/258003692.db2.gz QRVHZQLHILKZQV-IBGZPJMESA-N 0 1 335.451 4.019 10 0 EIAEMN CCOC(=O)[C@H]1CCCCN1CC(c1ccccc1)c1ccccc1 ZINC000055292305 563934319 /nfs/dbraw/zinc/93/43/19/563934319.db2.gz DYKVXIZNZZFFBY-OAQYLSRUSA-N 0 1 337.463 4.236 10 0 EIAEMN Cc1ccc(-c2c(I)[nH]nc2C2CCC2)cc1 ZINC000675075573 564113207 /nfs/dbraw/zinc/11/32/07/564113207.db2.gz BECWOROQCWANMY-UHFFFAOYSA-N 0 1 338.192 4.257 10 0 EIAEMN O=C(Nc1ccccc1Br)c1ccc(O)c(Cl)c1 ZINC000019515208 202009527 /nfs/dbraw/zinc/00/95/27/202009527.db2.gz RXXFHBSFBUJTRX-UHFFFAOYSA-N 0 1 326.577 4.060 10 0 EIAEMN CCCOc1ccc(Cl)cc1CNCc1ccc2c(c1)OCO2 ZINC000020928856 202058026 /nfs/dbraw/zinc/05/80/26/202058026.db2.gz NZWGNJZDHBTGBX-UHFFFAOYSA-N 0 1 333.815 4.147 10 0 EIAEMN COc1c(C)cnc(CN[C@H](C)c2cccc(Br)c2)c1C ZINC000038012608 202084082 /nfs/dbraw/zinc/08/40/82/202084082.db2.gz ZGTVAMJLQPCHPB-CYBMUJFWSA-N 0 1 349.272 4.320 10 0 EIAEMN C[C@@H](c1ccccc1Br)N1CCc2c(N)cccc2C1 ZINC000038032484 202090481 /nfs/dbraw/zinc/09/04/81/202090481.db2.gz CPGXRZGJCRDNQM-LBPRGKRZSA-N 0 1 331.257 4.151 10 0 EIAEMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000027537302 202156705 /nfs/dbraw/zinc/15/67/05/202156705.db2.gz JATSTOVETYZDJZ-MNOVXSKESA-N 0 1 338.785 4.296 10 0 EIAEMN C[C@@]1(c2ccc(Br)cc2)CN(Cc2ccccc2)CCO1 ZINC000033883658 202269699 /nfs/dbraw/zinc/26/96/99/202269699.db2.gz VMUUMDUJNUXSBF-SFHVURJKSA-N 0 1 346.268 4.197 10 0 EIAEMN CCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccco2)CC1 ZINC000034683081 202275083 /nfs/dbraw/zinc/27/50/83/202275083.db2.gz KWIMBXCNJVAGQT-UHFFFAOYSA-N 0 1 340.467 4.250 10 0 EIAEMN CN[C@H](c1ccsc1)c1cc(Cl)cc(Br)c1OC ZINC000035457935 202304457 /nfs/dbraw/zinc/30/44/57/202304457.db2.gz FBIONMPZXNGSJO-GFCCVEGCSA-N 0 1 346.677 4.481 10 0 EIAEMN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2)cc1O ZINC000036348742 202322526 /nfs/dbraw/zinc/32/25/26/202322526.db2.gz FUEMXMKUIIZUMK-QFIPXVFZSA-N 0 1 348.446 4.198 10 0 EIAEMN O=C([O-])C1=CCC[N@@H+](CCC=C(c2ccccc2)c2ccccc2)C1 ZINC000006095717 201362195 /nfs/dbraw/zinc/36/21/95/201362195.db2.gz NNHFTYXKYCVPFN-UHFFFAOYSA-N 0 1 333.431 4.225 10 0 EIAEMN Cc1cc(CN2CCCC[C@@H]2C)c(C)cc1I ZINC000675075524 564113135 /nfs/dbraw/zinc/11/31/35/564113135.db2.gz QWNBHMWOEYKUNS-ZDUSSCGKSA-N 0 1 343.252 4.282 10 0 EIAEMN O=C1OC(c2ccccc2)=N/C1=C\c1cc(Cl)cc(Cl)c1O ZINC000038421622 564031749 /nfs/dbraw/zinc/03/17/49/564031749.db2.gz BHYHXCLGNKRKEW-QPEQYQDCSA-N 0 1 334.158 4.044 10 0 EIAEMN Cc1csc(C2CCN(Cc3c(C)nc4sc(C)cn34)CC2)n1 ZINC000092787484 1039590290 /nfs/dbraw/zinc/59/02/90/1039590290.db2.gz FLYKDYKJDPDXDK-UHFFFAOYSA-N 0 1 346.525 4.157 10 0 EIAEMN CCCOc1c(Cl)cc(CNCc2ccncc2)cc1OCC ZINC000020932147 202058535 /nfs/dbraw/zinc/05/85/35/202058535.db2.gz GVVHZMVNOSVPLY-UHFFFAOYSA-N 0 1 334.847 4.212 10 0 EIAEMN C[C@@H](N[C@H](C)c1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC000037984424 202076116 /nfs/dbraw/zinc/07/61/16/202076116.db2.gz ZNQAQQGZUUUVTR-CHWSQXEVSA-N 0 1 347.256 4.127 10 0 EIAEMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1)c1cccc(Br)c1 ZINC000037984422 202076638 /nfs/dbraw/zinc/07/66/38/202076638.db2.gz ZNQAQQGZUUUVTR-OLZOCXBDSA-N 0 1 347.256 4.127 10 0 EIAEMN CCOc1ccc(Br)cc1[C@@H](N)c1sccc1C ZINC000035081850 202286228 /nfs/dbraw/zinc/28/62/28/202286228.db2.gz OMGBDUQEKVIFIU-CYBMUJFWSA-N 0 1 326.259 4.266 10 0 EIAEMN COc1c(Br)cc(Cl)cc1[C@@H](N)c1ccsc1 ZINC000035379847 202300556 /nfs/dbraw/zinc/30/05/56/202300556.db2.gz FISVNPDYWWQQQO-NSHDSACASA-N 0 1 332.650 4.221 10 0 EIAEMN COc1ccc([C@@H](N)c2ccc(Br)s2)c(Cl)c1 ZINC000036767765 202332181 /nfs/dbraw/zinc/33/21/81/202332181.db2.gz BNFIDLHBMZYOBV-GFCCVEGCSA-N 0 1 332.650 4.221 10 0 EIAEMN Cn1cc(-c2nc3ccc(Cl)cc3[nH]2)c(-c2ccccc2F)n1 ZINC000072161902 203178205 /nfs/dbraw/zinc/17/82/05/203178205.db2.gz UKVGGDKEODWUNE-UHFFFAOYSA-N 0 1 326.762 4.423 10 0 EIAEMN CCOc1c(CNCc2ccc(OC)cc2)cc(Cl)cc1OC ZINC000010475392 563648327 /nfs/dbraw/zinc/64/83/27/563648327.db2.gz WAORMVKRAPEZID-UHFFFAOYSA-N 0 1 335.831 4.046 10 0 EIAEMN Cc1ccccc1Oc1ncccc1CNCc1ccc2nonc2c1 ZINC000015077207 564053247 /nfs/dbraw/zinc/05/32/47/564053247.db2.gz HYVSKKFFMQRHIN-UHFFFAOYSA-N 0 1 346.390 4.008 10 0 EIAEMN CC1(C)C=Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1 ZINC000013436958 564111710 /nfs/dbraw/zinc/11/17/10/564111710.db2.gz ZSYPWSSGRVZENH-UHFFFAOYSA-N 0 1 336.343 4.055 10 0 biogenic,in-vitro EIAEMN C[C@H](Oc1ccccc1)c1n[nH]c2c1CN(Cc1ccsc1)CC2 ZINC000020920020 202058148 /nfs/dbraw/zinc/05/81/48/202058148.db2.gz JUDKSQOXEBXWQU-AWEZNQCLSA-N 0 1 339.464 4.170 10 0 EIAEMN CCOc1ccc(Br)cc1[C@H](CC(F)(F)F)NC ZINC000035505960 202306002 /nfs/dbraw/zinc/30/60/02/202306002.db2.gz ZGHZLBPKLNVVMP-JTQLQIEISA-N 0 1 326.156 4.061 10 0 EIAEMN Nc1c(NNc2ccccc2)ncnc1Nc1ccc(F)c(Cl)c1 ZINC000040757576 202463457 /nfs/dbraw/zinc/46/34/57/202463457.db2.gz RFTBCYGHWCURQC-UHFFFAOYSA-N 0 1 344.781 4.034 10 0 EIAEMN O=C([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1C(F)(F)F ZINC000301055217 201059605 /nfs/dbraw/zinc/05/96/05/201059605.db2.gz ZDPZJDZVNAEGBB-HOTGVXAUSA-N 0 1 349.352 4.006 10 0 EIAEMN COc1cc(/C=C/c2cc3ccoc3c(O)c2)cc(OC)c1OC ZINC000090516129 201371549 /nfs/dbraw/zinc/37/15/49/201371549.db2.gz LFTFLOYAWIWHDE-SNAWJCMRSA-N 0 1 326.348 4.335 10 0 EIAEMN CCCNc1cc(CC)nc2c(I)cccc12 ZINC000103972638 204090738 /nfs/dbraw/zinc/09/07/38/204090738.db2.gz YBKQOUYRHAGTGU-UHFFFAOYSA-N 0 1 340.208 4.224 10 0 EIAEMN CC(=O)Nc1ccccc1-c1nc(-c2ccccc2O)[nH]c1Cl ZINC000216021452 534764474 /nfs/dbraw/zinc/76/44/74/534764474.db2.gz BZVWBUDCFBOAGV-UHFFFAOYSA-N 0 1 327.771 4.061 10 0 EIAEMN CC[C@@H](C)N(Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccncc1 ZINC000055369445 563934561 /nfs/dbraw/zinc/93/45/61/563934561.db2.gz UKXGTDBVQCHDTC-OAHLLOKOSA-N 0 1 328.504 4.451 10 0 EIAEMN Cc1nc(CN2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)oc1C ZINC000114481789 1029035532 /nfs/dbraw/zinc/03/55/32/1029035532.db2.gz YSTLVGOAMDCWML-KRWDZBQOSA-N 0 1 336.439 4.061 10 0 EIAEMN O=C(Nc1ccccc1Br)c1ccc(Cl)cc1O ZINC000019477003 202008832 /nfs/dbraw/zinc/00/88/32/202008832.db2.gz OQGHORYSRVYXRI-UHFFFAOYSA-N 0 1 326.577 4.060 10 0 EIAEMN CCCOc1c(Cl)cc(CNCc2ccncc2)cc1Cl ZINC000020926568 202058976 /nfs/dbraw/zinc/05/89/76/202058976.db2.gz WLRIKHOFDYTEGP-UHFFFAOYSA-N 0 1 325.239 4.467 10 0 EIAEMN C[C@H](c1ccccc1Br)N1CCc2c(N)cccc2C1 ZINC000038032485 202091623 /nfs/dbraw/zinc/09/16/23/202091623.db2.gz CPGXRZGJCRDNQM-GFCCVEGCSA-N 0 1 331.257 4.151 10 0 EIAEMN COc1c(Br)cc(Cl)cc1[C@H](N)c1ccsc1 ZINC000035379846 202300600 /nfs/dbraw/zinc/30/06/00/202300600.db2.gz FISVNPDYWWQQQO-LLVKDONJSA-N 0 1 332.650 4.221 10 0 EIAEMN CCN[C@@H](CC(F)(F)F)c1cc(Br)ccc1OC ZINC000035509151 202305575 /nfs/dbraw/zinc/30/55/75/202305575.db2.gz IRSISNQWZWMRIK-JTQLQIEISA-N 0 1 326.156 4.061 10 0 EIAEMN N[C@H](c1ccc(Br)cc1F)c1c(F)cc(F)cc1F ZINC000019971832 212092331 /nfs/dbraw/zinc/09/23/31/212092331.db2.gz AGRFULGBPQYCOZ-CYBMUJFWSA-N 0 1 334.110 4.054 10 0 EIAEMN CCN[C@H](c1ccc(Br)s1)c1cccc(F)c1F ZINC000054205209 214224252 /nfs/dbraw/zinc/22/42/52/214224252.db2.gz XLUSDOMGPZTTPN-ZDUSSCGKSA-N 0 1 332.213 4.488 10 0 EIAEMN Nc1c(Nc2ccncc2)ncnc1Sc1ccc(Cl)cc1 ZINC000040687512 213368795 /nfs/dbraw/zinc/36/87/95/213368795.db2.gz MXHBJNLLDHSLSE-UHFFFAOYSA-N 0 1 329.816 4.002 10 0 EIAEMN C[C@@H](N[C@H](C)c1ccc(I)cc1)c1ccco1 ZINC000037260256 213137777 /nfs/dbraw/zinc/13/77/77/213137777.db2.gz ZNZPPWGQZDBICJ-GHMZBOCLSA-N 0 1 341.192 4.296 10 0 EIAEMN N[C@@H](Cc1cccc(Br)c1)c1nc2ccccc2s1 ZINC000037239299 213136603 /nfs/dbraw/zinc/13/66/03/213136603.db2.gz LQZHRGNCKQUTMQ-LBPRGKRZSA-N 0 1 333.254 4.301 10 0 EIAEMN O=C([O-])CCc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC000072367209 216172594 /nfs/dbraw/zinc/17/25/94/216172594.db2.gz YEPIOVHZLYYSGS-SFHVURJKSA-N 0 1 344.842 4.089 10 0 EIAEMN O=C([O-])CCc1cccc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC000072367208 216173045 /nfs/dbraw/zinc/17/30/45/216173045.db2.gz YEPIOVHZLYYSGS-GOSISDBHSA-N 0 1 344.842 4.089 10 0 EIAEMN COc1ccc(Br)cc1[C@@H](N)c1ccc(F)cc1Cl ZINC000020586725 212149643 /nfs/dbraw/zinc/14/96/43/212149643.db2.gz XCRDCQBUMZPHJP-AWEZNQCLSA-N 0 1 344.611 4.298 10 0 EIAEMN COc1c(Br)cc(Cl)cc1[C@H](N)c1ccccc1F ZINC000019967881 212091438 /nfs/dbraw/zinc/09/14/38/212091438.db2.gz LDFMYEIPLRPGTB-CYBMUJFWSA-N 0 1 344.611 4.298 10 0 EIAEMN Cc1ccc(-n2ncc3c2CCC[C@H]3NCc2ccccn2)cc1C ZINC000012438081 211381239 /nfs/dbraw/zinc/38/12/39/211381239.db2.gz FTSBRUPCRRHFKI-HXUWFJFHSA-N 0 1 332.451 4.051 10 0 EIAEMN COCCN(C/C=C/c1ccccc1)Cc1ccc2ccccc2n1 ZINC000055369268 214313078 /nfs/dbraw/zinc/31/30/78/214313078.db2.gz ZNKAICZTWHPTLV-JXMROGBWSA-N 0 1 332.447 4.397 10 0 EIAEMN CC[C@H](CO)N(Cc1ccsc1)Cc1cnc2ccccc2c1 ZINC000055392900 214316728 /nfs/dbraw/zinc/31/67/28/214316728.db2.gz VEWBOEWLHCTDNP-GOSISDBHSA-N 0 1 326.465 4.069 10 0 EIAEMN CNc1cc(C(C)(C)C)nc2ccc(I)cc21 ZINC000103972614 219333851 /nfs/dbraw/zinc/33/38/51/219333851.db2.gz 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