smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000000834275 219329065 /nfs/dbraw/zinc/32/90/65/219329065.db2.gz FJDCMXSYGALZTF-QKLQHJQFSA-N 0 0 353.849 5.343 10 10 FKCERN Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000000855444 210283164 /nfs/dbraw/zinc/28/31/64/210283164.db2.gz AUBBGMAHACFCBO-HDMKZQKVSA-N 0 0 360.682 5.929 10 10 FKCERN CC(=C/c1ccccc1)/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000001249174 210075538 /nfs/dbraw/zinc/07/55/38/210075538.db2.gz FMCLLRHVZFABEN-MIXLFBTASA-N 0 0 351.496 5.034 10 10 FKCERN CC(=Cc1ccccc1)C=C1SC(Nc2ccccc2Cl)=NC1=O ZINC000001452237 204008097 /nfs/dbraw/zinc/00/80/97/204008097.db2.gz LANVJNSZCVAWMR-RQGFIEOQSA-N 0 0 354.862 5.369 10 10 FKCERN O=C1/C(=C\c2cccs2)SC(=S)N1c1cc(Cl)cc(Cl)c1 ZINC000001452322 204008800 /nfs/dbraw/zinc/00/88/00/204008800.db2.gz DRTIRPYYSZUYGJ-KPKJPENVSA-N 0 0 372.323 5.461 10 10 FKCERN Oc1c(Cl)ccc(C(=C(Cl)Cl)c2ccc(Cl)cc2)c1O ZINC000001530502 560181392 /nfs/dbraw/zinc/18/13/92/560181392.db2.gz FLLUEFJGXSALFO-UHFFFAOYSA-N 0 0 350.028 5.599 10 10 in-vitro FKCERN Cn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(Cl)c(Cl)c1 ZINC000002380533 210395130 /nfs/dbraw/zinc/39/51/30/210395130.db2.gz DVUNALDJFMVZNS-UHFFFAOYSA-O 0 0 370.712 5.943 10 10 FKCERN Clc1ccc(S/N=N/c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000002516837 204042592 /nfs/dbraw/zinc/04/25/92/204042592.db2.gz JKVBWACRUUUEAR-ISLYRVAYSA-N 0 0 352.073 7.091 10 10 in-vitro FKCERN CC(C)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000002918933 206944494 /nfs/dbraw/zinc/94/44/94/206944494.db2.gz GOCTXKZZCFSVLZ-LDADJPATSA-N 0 0 353.512 5.211 10 10 FKCERN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccccc1Cl ZINC000003109955 219486363 /nfs/dbraw/zinc/48/63/63/219486363.db2.gz NSQLBSIAGAWCHG-ZROIWOOFSA-N 0 0 366.294 5.399 10 10 FKCERN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000004132219 219545728 /nfs/dbraw/zinc/54/57/28/219545728.db2.gz FBHJZSNFOSACII-JLMWRMLUSA-N 0 0 372.424 5.583 10 10 FKCERN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000004132223 570578128 /nfs/dbraw/zinc/57/81/28/570578128.db2.gz FBHJZSNFOSACII-KPLVRAHFSA-N 0 0 372.424 5.583 10 10 FKCERN O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2)N1CCCCCC1 ZINC000004182454 219554214 /nfs/dbraw/zinc/55/42/14/219554214.db2.gz UOONDAXQUNSEAC-YZUZCNPQSA-N 0 0 372.512 5.529 10 10 FKCERN O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2)N1CCCCCC1 ZINC000004182455 206171023 /nfs/dbraw/zinc/17/10/23/206171023.db2.gz UOONDAXQUNSEAC-AWRGLXIESA-N 0 0 372.512 5.529 10 10 FKCERN O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2)N1CCCCCC1 ZINC000004182457 206171133 /nfs/dbraw/zinc/17/11/33/206171133.db2.gz UOONDAXQUNSEAC-HFMPRLQTSA-N 0 0 372.512 5.529 10 10 FKCERN O=[N+]([O-])c1ccc([C@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc1 ZINC000004268898 570582141 /nfs/dbraw/zinc/58/21/41/570582141.db2.gz OMFZKADNEBEVIC-PMUMKWKESA-N 0 0 361.228 5.728 10 10 FKCERN O=[N+]([O-])c1ccc([C@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000004268904 570582374 /nfs/dbraw/zinc/58/23/74/570582374.db2.gz OMFZKADNEBEVIC-SUNYJGFJSA-N 0 0 361.228 5.728 10 10 FKCERN Cc1c(C)c(C)c(Oc2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1C ZINC000004358594 204136141 /nfs/dbraw/zinc/13/61/41/204136141.db2.gz ARVKKLIMJJVNDQ-UHFFFAOYSA-N 0 0 370.448 5.796 10 10 FKCERN O=[N+]([O-])c1ccccc1[C@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21 ZINC000004675697 204153650 /nfs/dbraw/zinc/15/36/50/204153650.db2.gz CPITZHCLJZSGPM-PRXAMGSTSA-N 0 0 371.234 5.184 10 10 FKCERN Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000004676274 207036903 /nfs/dbraw/zinc/03/69/03/207036903.db2.gz GCYCVMSBIGVOSW-LEDOBFOHSA-N 0 0 356.425 5.883 10 10 FKCERN COC(=O)c1ccc(C)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004676295 207037591 /nfs/dbraw/zinc/03/75/91/207037591.db2.gz YUAFYJJZJHDQPX-FTRWYGJKSA-N 0 0 353.849 5.262 10 10 FKCERN COC(=O)c1ccc(C)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004676300 204153632 /nfs/dbraw/zinc/15/36/32/204153632.db2.gz YUAFYJJZJHDQPX-YRNRMSPPSA-N 0 0 353.849 5.262 10 10 FKCERN COC(=O)c1ccc2c(c1C)N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000004676375 207037075 /nfs/dbraw/zinc/03/70/75/207037075.db2.gz NUZMDUXXMBHIRB-AUSJPIAWSA-N 0 0 353.849 5.262 10 10 FKCERN COc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004697686 570601321 /nfs/dbraw/zinc/60/13/21/570601321.db2.gz KALBJMORMNIBFA-MPGHIAIKSA-N 0 0 356.263 5.284 10 10 FKCERN COc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000004697688 570601409 /nfs/dbraw/zinc/60/14/09/570601409.db2.gz KALBJMORMNIBFA-DAYGRLMNSA-N 0 0 356.263 5.284 10 10 FKCERN COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 ZINC000004699591 207039032 /nfs/dbraw/zinc/03/90/32/207039032.db2.gz COGZNDMCDPGNTO-DEYYWGMASA-N 0 0 357.812 5.092 10 10 FKCERN COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 ZINC000004699595 204156809 /nfs/dbraw/zinc/15/68/09/204156809.db2.gz COGZNDMCDPGNTO-IYOUNJFTSA-N 0 0 357.812 5.092 10 10 FKCERN Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000004719703 207041988 /nfs/dbraw/zinc/04/19/88/207041988.db2.gz AUBBGMAHACFCBO-RLFYNMQTSA-N 0 0 360.682 5.929 10 10 FKCERN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004798356 204164064 /nfs/dbraw/zinc/16/40/64/204164064.db2.gz FJDCMXSYGALZTF-ZWOKBUDYSA-N 0 0 353.849 5.343 10 10 FKCERN COC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 ZINC000004819033 570608388 /nfs/dbraw/zinc/60/83/88/570608388.db2.gz YSGXVDFQKIZNCE-ZJNRKIDTSA-N 0 0 374.267 5.607 10 10 FKCERN COC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000004819036 570608464 /nfs/dbraw/zinc/60/84/64/570608464.db2.gz YSGXVDFQKIZNCE-VEVIJQCQSA-N 0 0 374.267 5.607 10 10 FKCERN O=[N+]([O-])c1ccccc1[C@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21 ZINC000004827925 209424493 /nfs/dbraw/zinc/42/44/93/209424493.db2.gz GUVRLNWUUKGYCY-DINDLPBHSA-N 0 0 361.228 5.728 10 10 FKCERN O=[N+]([O-])c1cccc2c1N[C@@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 ZINC000004859487 219615968 /nfs/dbraw/zinc/61/59/68/219615968.db2.gz KEGSEBMJECUZFC-XWCIJXRUSA-N 0 0 371.234 5.184 10 10 FKCERN O=[N+]([O-])c1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 ZINC000004859489 570611323 /nfs/dbraw/zinc/61/13/23/570611323.db2.gz KEGSEBMJECUZFC-NVGCLXPQSA-N 0 0 371.234 5.184 10 10 FKCERN COc1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 ZINC000004859499 570611263 /nfs/dbraw/zinc/61/12/63/570611263.db2.gz ZKVRMLMCPYWBNJ-MPGHIAIKSA-N 0 0 356.263 5.284 10 10 FKCERN COc1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 ZINC000004859501 204171098 /nfs/dbraw/zinc/17/10/98/204171098.db2.gz ZKVRMLMCPYWBNJ-DAYGRLMNSA-N 0 0 356.263 5.284 10 10 FKCERN Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@H]3C=CC[C@@H]31)OCO2 ZINC000004959592 207066210 /nfs/dbraw/zinc/06/62/10/207066210.db2.gz YOLTZIVRJAPVPH-RGIROJJOSA-N 0 0 370.246 5.004 10 10 aggregator FKCERN O=[N+]([O-])c1ccc([C@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1 ZINC000005015717 207072747 /nfs/dbraw/zinc/07/27/47/207072747.db2.gz VJDUKWHSBOBGIY-GRDNDAEWSA-N 0 0 360.335 5.440 10 10 FKCERN O=[N+]([O-])c1ccc([C@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1 ZINC000005015725 207072390 /nfs/dbraw/zinc/07/23/90/207072390.db2.gz VJDUKWHSBOBGIY-JJRVBVJISA-N 0 0 360.335 5.440 10 10 FKCERN O=[N+]([O-])c1ccc([C@H]2Nc3cc(Br)ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000005050655 570619621 /nfs/dbraw/zinc/61/96/21/570619621.db2.gz IKKHCPCGKDSXFD-QGPMSJSTSA-N 0 0 371.234 5.184 10 10 FKCERN O=[N+]([O-])c1ccc([C@H]2Nc3cc(Br)ccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000005050661 570619643 /nfs/dbraw/zinc/61/96/43/570619643.db2.gz IKKHCPCGKDSXFD-UWWQBHOKSA-N 0 0 371.234 5.184 10 10 FKCERN CCCC[C@@H](CC)CNc1ccc(NC)c2c1C(=O)c1ccccc1C2=O ZINC000005114672 207081470 /nfs/dbraw/zinc/08/14/70/207081470.db2.gz QJQBYILFKAVOTC-OAHLLOKOSA-N 0 0 364.489 5.132 10 10 FKCERN CCCC[C@H](CC)CNc1ccc(NC)c2c1C(=O)c1ccccc1C2=O ZINC000005114678 219651325 /nfs/dbraw/zinc/65/13/25/219651325.db2.gz QJQBYILFKAVOTC-HNNXBMFYSA-N 0 0 364.489 5.132 10 10 FKCERN CCN(CCO[C@@H](C)OCC(C)C)c1ccc(/N=N/c2ccccc2)cc1 ZINC000005139595 219654214 /nfs/dbraw/zinc/65/42/14/219654214.db2.gz BATVZJPOLFSGTD-FYTMPNSFSA-N 0 0 369.509 5.964 10 10 FKCERN Clc1ccc2c(c1Cl)N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000005171913 207084888 /nfs/dbraw/zinc/08/48/88/207084888.db2.gz LVDFXUCUIVQDDW-RVPKQNPDSA-N 0 0 350.676 6.473 10 10 FKCERN COC(=O)c1nn(-c2ccccc2)c(Cl)c1/N=N/c1ccc(C)cc1 ZINC000005217124 204198989 /nfs/dbraw/zinc/19/89/89/204198989.db2.gz YAIBQDWUBJJPCV-QZQOTICOSA-N 0 0 354.797 5.036 10 10 FKCERN CC(C)(C)CC(C)(C)c1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1 ZINC000005351964 210615296 /nfs/dbraw/zinc/61/52/96/210615296.db2.gz HOWCUYQDKCPWDV-QURGRASLSA-N 0 0 355.438 6.430 10 10 FKCERN CC(C)(C)c1cc(N=Nc2ccccc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000005355001 219673501 /nfs/dbraw/zinc/67/35/01/219673501.db2.gz BBUYLEHVHUQHME-QURGRASLSA-N 0 0 355.438 6.311 10 10 FKCERN COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000005393835 206239159 /nfs/dbraw/zinc/23/91/59/206239159.db2.gz HCPFKIUXPUTABQ-XEKQOVJPSA-N 0 0 374.267 5.607 10 10 FKCERN O=[N+]([O-])c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 ZINC000005589024 570631707 /nfs/dbraw/zinc/63/17/07/570631707.db2.gz KUIAIEHGRPCIPJ-VBQJREDUSA-N 0 0 371.234 5.184 10 10 FKCERN O=[N+]([O-])c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 ZINC000005589025 570631616 /nfs/dbraw/zinc/63/16/16/570631616.db2.gz KUIAIEHGRPCIPJ-ZQIUZPCESA-N 0 0 371.234 5.184 10 10 FKCERN Fc1ccc(NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000005589522 204217479 /nfs/dbraw/zinc/21/74/79/204217479.db2.gz URTKLNRHUSVAIX-WCWDXBQESA-N 0 0 350.422 6.050 10 10 FKCERN COc1ccccc1/N=N/c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000005640719 210229790 /nfs/dbraw/zinc/22/97/90/210229790.db2.gz ZSZLBVSSPGZRIT-OCOZRVBESA-N 0 0 354.413 5.963 10 10 FKCERN COc1cccc([C@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000005739825 207114784 /nfs/dbraw/zinc/11/47/84/207114784.db2.gz PIUMFLSONQOYLG-FUHIMQAGSA-N 0 0 350.418 5.047 10 10 FKCERN COc1ccc(-c2cc3nc4ccccc4nc3c3ccc(C)cc32)cc1 ZINC000005747573 204223122 /nfs/dbraw/zinc/22/31/22/204223122.db2.gz YOVGGIGNDAUMPR-UHFFFAOYSA-N 0 0 350.421 5.920 10 10 FKCERN CCOc1ccc(/N=N/c2cc(C)c(OCc3ccccc3)c(C)c2)cc1 ZINC000005863267 207119992 /nfs/dbraw/zinc/11/99/92/207119992.db2.gz IWWIKQDJPJCNNY-OCOZRVBESA-N 0 0 360.457 6.697 10 10 FKCERN CC(=O)Nc1ccc(N=Nc2ccc(NN=C3C=CC(=O)C=C3)cc2C)cc1 ZINC000006070049 210654912 /nfs/dbraw/zinc/65/49/12/210654912.db2.gz PXZNMDUMLOIFTI-OGGGYYITSA-N 0 0 373.416 6.490 10 10 FKCERN Cc1ccc(C)c(/N=N/c2ccc(OCc3ccccc3)c(Cl)c2)c1 ZINC000006070557 204236340 /nfs/dbraw/zinc/23/63/40/204236340.db2.gz ZHWXDQUWFAYKTM-WCWDXBQESA-N 0 0 350.849 6.951 10 10 FKCERN CC(/C=C1/SC(=S)N(c2cccc(C)c2)C1=O)=C/c1ccccc1 ZINC000006174119 571140170 /nfs/dbraw/zinc/14/01/70/571140170.db2.gz JRZMBYAYMAALQP-LBFIDVBJSA-N 0 0 351.496 5.347 10 10 FKCERN O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000006220676 570643545 /nfs/dbraw/zinc/64/35/45/570643545.db2.gz GJNNUCZYAJVFMO-JKIFEVAISA-N 0 0 361.228 5.728 10 10 FKCERN O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000006221863 570643720 /nfs/dbraw/zinc/64/37/20/570643720.db2.gz POVVPPONLYTTSI-JKIFEVAISA-N 0 0 361.228 5.728 10 10 FKCERN Cc1ccc2cc(C3=C/C(=C\c4ccc([N+](=O)[O-])cc4)C(=O)O3)ccc2c1 ZINC000006883455 207174929 /nfs/dbraw/zinc/17/49/29/207174929.db2.gz SKIUGJVJYVRLMP-YBFXNURJSA-N 0 0 357.365 5.038 10 10 FKCERN Cc1c(Cl)ccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 ZINC000008277018 263353356 /nfs/dbraw/zinc/35/33/56/263353356.db2.gz LDVNEPVXNIOQMT-WTOJCKNJSA-N 0 0 374.709 6.237 10 10 FKCERN Cc1c(Cl)ccc2c1N[C@@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 ZINC000008277243 207227247 /nfs/dbraw/zinc/22/72/47/207227247.db2.gz LDVNEPVXNIOQMT-XEKQOVJPSA-N 0 0 374.709 6.237 10 10 FKCERN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3cccc4ccccc34)S2)c1 ZINC000008410964 207232262 /nfs/dbraw/zinc/23/22/62/207232262.db2.gz DMWOYSDPNGVEHY-MOSHPQCFSA-N 0 0 358.466 5.539 10 10 FKCERN COc1ccc(OC)c(N=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1 ZINC000008557087 210791316 /nfs/dbraw/zinc/79/13/16/210791316.db2.gz UNLXFEWDCBFANO-VHXPQNKSSA-N 0 0 370.493 6.420 10 10 FKCERN CC(C)(C)C1=CC(=NNc2cccc([N+](=O)[O-])c2)C(=O)C(C(C)(C)C)=C1 ZINC000008557099 204334062 /nfs/dbraw/zinc/33/40/62/204334062.db2.gz YLLRVFLNLOTNHY-DQRAZIAOSA-N 0 0 355.438 6.311 10 10 FKCERN Fc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000008816303 210805362 /nfs/dbraw/zinc/80/53/62/210805362.db2.gz RZZLOXBVQCEDIM-RQNQAMLKSA-N 0 0 365.451 6.959 10 10 FKCERN Fc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000008816304 204346491 /nfs/dbraw/zinc/34/64/91/204346491.db2.gz RZZLOXBVQCEDIM-QTISVLPJSA-N 0 0 365.451 6.959 10 10 FKCERN Fc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000008816305 204346161 /nfs/dbraw/zinc/34/61/61/204346161.db2.gz RZZLOXBVQCEDIM-LIXHSBQKSA-N 0 0 365.451 6.959 10 10 FKCERN CCOc1ccc(NN=C2C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)cc1 ZINC000012403402 219989923 /nfs/dbraw/zinc/98/99/23/219989923.db2.gz WHIHGHQDKPMAIT-VHXPQNKSSA-N 0 0 354.494 6.801 10 10 FKCERN Brc1cc2c(cc1[C@H]1Nc3ccccc3[C@H]3C=CC[C@H]31)OCO2 ZINC000013151537 560213736 /nfs/dbraw/zinc/21/37/36/560213736.db2.gz YOLTZIVRJAPVPH-MVBJNABHSA-N 0 0 370.246 5.004 10 10 in-vitro FKCERN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccccc1Cl ZINC000013424263 211033114 /nfs/dbraw/zinc/03/31/14/211033114.db2.gz RDMRYBAZPQKIRQ-OQLLNIDSSA-N 0 0 364.754 5.165 10 10 FKCERN Fc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000015228626 220150373 /nfs/dbraw/zinc/15/03/73/220150373.db2.gz RZZLOXBVQCEDIM-YBXDKENTSA-N 0 0 365.451 6.959 10 10 FKCERN COc1cccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)c1O ZINC000016292947 211158126 /nfs/dbraw/zinc/15/81/26/211158126.db2.gz PICHBEHOTJYLJQ-UHFFFAOYSA-N 0 0 374.484 5.043 10 10 FKCERN O=C1/C(=C/c2c[nH]c3ccccc23)C(c2ccccc2)=NN1c1ccccc1 ZINC000016739962 206804625 /nfs/dbraw/zinc/80/46/25/206804625.db2.gz ZCXMNUAYJKGYSP-RCCKNPSSSA-N 0 0 363.420 5.002 10 10 FKCERN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1/N=N/c1cccc([N+](=O)[O-])c1 ZINC000017070434 206321965 /nfs/dbraw/zinc/32/19/65/206321965.db2.gz GPZLDCRQONSKJS-QZQOTICOSA-N 0 0 369.812 5.775 10 10 FKCERN O=[N+]([O-])c1ccc(/N=N/c2ccc(Nc3cccc(Cl)c3)cc2)cc1 ZINC000018056787 211190121 /nfs/dbraw/zinc/19/01/21/211190121.db2.gz CKJHWHCXEKVVMN-QURGRASLSA-N 0 0 352.781 6.407 10 10 FKCERN CC[C@@H](Nc1cc(C)ccc1OC)c1cc(Br)ccc1O ZINC000019914454 206327713 /nfs/dbraw/zinc/32/77/13/206327713.db2.gz YSQPBNKYGMCJIA-CQSZACIVSA-N 0 0 350.256 5.035 10 10 FKCERN Cc1sc2ncnc(Nc3ccc(N)cc3)c2c1-c1ccc(F)cc1 ZINC000020321515 211275202 /nfs/dbraw/zinc/27/52/02/211275202.db2.gz XFXSUZHJFMVHAW-UHFFFAOYSA-N 0 0 350.422 5.132 10 10 FKCERN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000027533667 571312961 /nfs/dbraw/zinc/31/29/61/571312961.db2.gz YZVDFFOKAWSKTF-GSPDUGTFSA-N 0 0 365.838 5.034 10 10 FKCERN O=[N+]([O-])c1ccccc1/N=N/c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000031600078 210245277 /nfs/dbraw/zinc/24/52/77/210245277.db2.gz QHWCQGITNPCJND-WCWDXBQESA-N 0 0 369.384 5.863 10 10 FKCERN COc1ccc(/C=C2\C=C(c3ccc4cc(C)ccc4c3)OC2=O)c(OC)c1 ZINC000033321902 208085382 /nfs/dbraw/zinc/08/53/82/208085382.db2.gz HKVHHHCIGZRADD-UDWIEESQSA-N 0 0 372.420 5.147 10 10 FKCERN CCc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 ZINC000033939375 204975183 /nfs/dbraw/zinc/97/51/83/204975183.db2.gz VLKAHSVAOUMNJG-LFIBNONCSA-N 0 0 359.903 5.308 10 10 FKCERN CC(=C(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000034784132 132378057 /nfs/dbraw/zinc/37/80/57/132378057.db2.gz GNNQOLZWWBYVAY-UHFFFAOYSA-N 0 0 355.481 5.502 10 10 FKCERN CCc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000035040425 208116561 /nfs/dbraw/zinc/11/65/61/208116561.db2.gz VCHWMVQEFFBNCV-LFIBNONCSA-N 0 0 359.903 5.308 10 10 FKCERN O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1C1CCCCC1 ZINC000035200779 208118822 /nfs/dbraw/zinc/11/88/22/208118822.db2.gz DVCGBIMEKVVMTI-UKTHLTGXSA-N 0 0 372.342 5.527 10 10 FKCERN O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1C1CCCCC1 ZINC000035518169 208129296 /nfs/dbraw/zinc/12/92/96/208129296.db2.gz XAUIBBUIBVLXEA-AQTBWJFISA-N 0 0 369.511 5.481 10 10 FKCERN Cc1cccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c1C ZINC000038162670 205040263 /nfs/dbraw/zinc/04/02/63/205040263.db2.gz GQHAKZSCXUDADF-VCHYOVAHSA-N 0 0 364.495 5.191 10 10 FKCERN CC(=O)Nc1ccc(NN=C2C=C(c3ccccc3)C=CC2=O)c(Cl)c1 ZINC000038634281 205041765 /nfs/dbraw/zinc/04/17/65/205041765.db2.gz RUOWZMURTIZENY-WCWDXBQESA-N 0 0 365.820 6.086 10 10 FKCERN Oc1c([C@@H](Nc2ccccn2)c2ccccc2)cc(Cl)c2cccnc12 ZINC000040384065 210186722 /nfs/dbraw/zinc/18/67/22/210186722.db2.gz LQXDDYGFBJHSFV-IBGZPJMESA-N 0 0 361.832 5.190 10 10 FKCERN Oc1c([C@H](Nc2ccccn2)c2ccccc2)cc(Cl)c2cccnc12 ZINC000040384068 210185973 /nfs/dbraw/zinc/18/59/73/210185973.db2.gz LQXDDYGFBJHSFV-LJQANCHMSA-N 0 0 361.832 5.190 10 10 FKCERN CC(C)OC(=O)c1sc2nc(-c3cccs3)c3c(c2c1N)CCCC3 ZINC000040568293 208255950 /nfs/dbraw/zinc/25/59/50/208255950.db2.gz IUPPKTRQNICTHX-UHFFFAOYSA-N 0 0 372.515 5.051 10 10 FKCERN CCCCCCN1C(=O)/C(=C/c2c(C)[nH]c3ccccc23)SC1=S ZINC000040570611 205072695 /nfs/dbraw/zinc/07/26/95/205072695.db2.gz KDJXITKZTGVNRY-ATVHPVEESA-N 0 0 358.532 5.258 10 10 FKCERN Cc1cc(C)cc(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=S)c1 ZINC000040846386 205083416 /nfs/dbraw/zinc/08/34/16/205083416.db2.gz KJZBHSKOYKVGJU-PDGQHHTCSA-N 0 0 368.527 5.411 10 10 FKCERN Cc1ccc(NC=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000040869592 205082700 /nfs/dbraw/zinc/08/27/00/205082700.db2.gz UTCLIPUQXQKZHB-YBEGLDIGSA-N 0 0 374.918 5.275 10 10 FKCERN CCc1ccc(NC=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000040869596 220923308 /nfs/dbraw/zinc/92/33/08/220923308.db2.gz KRJYSXLIEYCRNB-WJDWOHSUSA-N 0 0 374.918 5.221 10 10 FKCERN O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000040928655 205085460 /nfs/dbraw/zinc/08/54/60/205085460.db2.gz IJXOXXFDBCWGRQ-ZSOIEALJSA-N 0 0 366.294 5.399 10 10 FKCERN CSc1ccc(/C=C2\SC(=S)N(c3c(C)cccc3C)C2=O)cc1 ZINC000041108537 571107587 /nfs/dbraw/zinc/10/75/87/571107587.db2.gz YNQKXMKWPLCWAO-WJDWOHSUSA-N 0 0 371.552 5.431 10 10 FKCERN Cc1ccnc(N[C@@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000045944389 210188239 /nfs/dbraw/zinc/18/82/39/210188239.db2.gz SDLMSAAQZZMXTR-NRFANRHFSA-N 0 0 355.441 5.154 10 10 FKCERN Oc1c([C@@H](Nc2ccccc2)c2ccccc2)cc(Cl)c2cccnc12 ZINC000045944494 210188524 /nfs/dbraw/zinc/18/85/24/210188524.db2.gz KSHQQSHVJWNSFD-FQEVSTJZSA-N 0 0 360.844 5.795 10 10 FKCERN Oc1c([C@H](Nc2ccccc2)c2ccccc2)cc(Cl)c2cccnc12 ZINC000045944497 220977522 /nfs/dbraw/zinc/97/75/22/220977522.db2.gz KSHQQSHVJWNSFD-HXUWFJFHSA-N 0 0 360.844 5.795 10 10 FKCERN Oc1c([C@H](Nc2ccccc2)c2ccccn2)cc(Cl)c2cccnc12 ZINC000045944503 210189201 /nfs/dbraw/zinc/18/92/01/210189201.db2.gz OMIYOSUGMRAOEC-IBGZPJMESA-N 0 0 361.832 5.190 10 10 FKCERN Oc1c([C@H](Nc2ccccc2)c2ccncc2)cc(Cl)c2cccnc12 ZINC000045944513 210188758 /nfs/dbraw/zinc/18/87/58/210188758.db2.gz CDCSPFLHCORISF-LJQANCHMSA-N 0 0 361.832 5.190 10 10 FKCERN Clc1ccc([C@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058929431 212014376 /nfs/dbraw/zinc/01/43/76/212014376.db2.gz AUXBQLVHSFOPBS-ZFGGDYGUSA-N 0 0 357.884 6.834 10 10 FKCERN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058929515 221123825 /nfs/dbraw/zinc/12/38/25/221123825.db2.gz RHQFVKLDZXSRDJ-ZFGGDYGUSA-N 0 0 368.436 6.088 10 10 FKCERN Cc1c(Cl)ccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000059267109 206520463 /nfs/dbraw/zinc/52/04/63/206520463.db2.gz LDVNEPVXNIOQMT-QHRIQVFBSA-N 0 0 374.709 6.237 10 10 FKCERN Cc1c(Cl)ccc2c1N[C@@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 ZINC000059267110 221125091 /nfs/dbraw/zinc/12/50/91/221125091.db2.gz LDVNEPVXNIOQMT-VLXJIEOASA-N 0 0 374.709 6.237 10 10 FKCERN COC(=O)c1ccc2c(c1C)N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000059267122 221125710 /nfs/dbraw/zinc/12/57/10/221125710.db2.gz NUZMDUXXMBHIRB-STXHMFSFSA-N 0 0 353.849 5.262 10 10 FKCERN Cc1ccc(C2=C/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1 ZINC000059425817 205282145 /nfs/dbraw/zinc/28/21/45/205282145.db2.gz TUOJUHDXXMSCGA-ATVHPVEESA-N 0 0 373.364 5.145 10 10 FKCERN Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)cc1 ZINC000059425824 212016687 /nfs/dbraw/zinc/01/66/87/212016687.db2.gz JVFMKVVSQBZKCA-ATVHPVEESA-N 0 0 362.812 5.890 10 10 FKCERN CN(C)c1ccc(/C=C/C(=O)Nc2ccc(/C=C/c3ccccc3)cc2)cc1 ZINC000059432311 221126035 /nfs/dbraw/zinc/12/60/35/221126035.db2.gz YEFMHKXOFFHBCQ-ZMYBKAFPSA-N 0 0 368.480 5.575 10 10 FKCERN Cc1ccc(C2=C/C(=C\[C@@H]3Cc4cccc5cccc3c45)C(=O)O2)c(C)c1 ZINC000059453763 205282277 /nfs/dbraw/zinc/28/22/77/205282277.db2.gz UUVYRCYBYNIKHE-XAJRUKRBSA-N 0 0 352.433 5.621 10 10 FKCERN Cc1ccc(C2=C/C(=C\[C@H]3Cc4cccc5cccc3c45)C(=O)O2)c(C)c1 ZINC000059453765 221126911 /nfs/dbraw/zinc/12/69/11/221126911.db2.gz UUVYRCYBYNIKHE-CVNFFVDQSA-N 0 0 352.433 5.621 10 10 FKCERN Cc1ccc(C)c(C2=C/C(=C\[C@@H]3Cc4cccc5cccc3c45)C(=O)O2)c1 ZINC000059453773 221126141 /nfs/dbraw/zinc/12/61/41/221126141.db2.gz ZEROQQBIRHWSBX-XAJRUKRBSA-N 0 0 352.433 5.621 10 10 FKCERN Cn1c2ccccc2c(/N=N\c2nc3ccccc3s2)c1-c1ccccc1 ZINC000066054494 221239441 /nfs/dbraw/zinc/23/94/41/221239441.db2.gz XETMKSSZMOPVLI-IZHYLOQSSA-N 0 0 368.465 6.870 10 10 FKCERN O=C1Nc2ccccc2C(=O)C1=NN=C1C=CC(=NNc2ccccc2)C=C1 ZINC000087492890 527462963 /nfs/dbraw/zinc/46/29/63/527462963.db2.gz GZCKCZAMIMLHDK-QSZPNPOGSA-N 0 0 369.384 6.065 10 10 FKCERN CC(C)(C)C1=CC(=NNc2cccc([N+](=O)[O-])c2)C(=O)C(C(C)(C)C)=C1 ZINC000100030304 222233242 /nfs/dbraw/zinc/23/32/42/222233242.db2.gz YLLRVFLNLOTNHY-QURGRASLSA-N 0 0 355.438 6.311 10 10 FKCERN CCOc1ccc(NN=C2C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)cc1 ZINC000100030317 222233320 /nfs/dbraw/zinc/23/33/20/222233320.db2.gz WHIHGHQDKPMAIT-WCWDXBQESA-N 0 0 354.494 6.801 10 10 FKCERN Cc1cc(C)c(NN=C2C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)c(C)c1 ZINC000100030331 222232818 /nfs/dbraw/zinc/23/28/18/222232818.db2.gz GDUDOBXGBYUDAM-OCOZRVBESA-N 0 0 352.522 7.328 10 10 FKCERN Cc1ccc(NN=C2C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)cc1Cl ZINC000100030373 209207536 /nfs/dbraw/zinc/20/75/36/209207536.db2.gz WFLLLJOXMJPFKU-WCWDXBQESA-N 0 0 358.913 7.364 10 10 FKCERN O=C(Nc1ccccc1)C1=Cc2ccccc2C(=NNc2ccccc2)C1=O ZINC000100053264 210181286 /nfs/dbraw/zinc/18/12/86/210181286.db2.gz WYUHTVDGHDRPDW-OCEACIFDSA-N 0 0 367.408 6.213 10 10 FKCERN CC(C)(C)c1cc(N=Nc2ccccc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000100292807 209211485 /nfs/dbraw/zinc/21/14/85/209211485.db2.gz BBUYLEHVHUQHME-DQRAZIAOSA-N 0 0 355.438 6.311 10 10 FKCERN CC(C)(C)CC(C)(C)c1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1 ZINC000100293974 209212094 /nfs/dbraw/zinc/21/20/94/209212094.db2.gz HOWCUYQDKCPWDV-DQRAZIAOSA-N 0 0 355.438 6.430 10 10 FKCERN Cc1ccc(C)c(/N=N\c2ccc(OCc3ccccc3)c(Cl)c2)c1 ZINC000100372208 209213837 /nfs/dbraw/zinc/21/38/37/209213837.db2.gz ZHWXDQUWFAYKTM-VHXPQNKSSA-N 0 0 350.849 6.951 10 10 FKCERN O=C(Cc1nc2ccccc2nc1CC(=O)c1ccccc1)c1ccccc1 ZINC000100825922 209218524 /nfs/dbraw/zinc/21/85/24/209218524.db2.gz ISVBYKIJCLSXCY-DFEHQXHXSA-N 0 0 366.420 5.742 10 10 FKCERN Cc1ccc2nc(/N=N/N=c3/sc4cc(C)ccc4n3C)sc2c1 ZINC000101584594 209227635 /nfs/dbraw/zinc/22/76/35/209227635.db2.gz PMSWPRBYQMWTPU-MRHDUWADSA-N 0 0 353.476 5.066 10 10 FKCERN O=C(c1ccccc1)[C@](O)(/N=N/c1cccc2ccccc21)c1ccccc1 ZINC000103551682 209255131 /nfs/dbraw/zinc/25/51/31/209255131.db2.gz GLNMAALAQJRMRO-HFYVVNBOSA-N 0 0 366.420 5.652 10 10 FKCERN O=C(c1ccccc1)[C@@](O)(/N=N/c1cccc2ccccc21)c1ccccc1 ZINC000103551687 570519022 /nfs/dbraw/zinc/51/90/22/570519022.db2.gz GLNMAALAQJRMRO-SLXTYVBUSA-N 0 0 366.420 5.652 10 10 FKCERN CC(=O)Nc1ccc(NN=C2C=C(c3ccccc3)C=CC2=O)c(Cl)c1 ZINC000103835449 222344433 /nfs/dbraw/zinc/34/44/33/222344433.db2.gz RUOWZMURTIZENY-VHXPQNKSSA-N 0 0 365.820 6.086 10 10 FKCERN Cc1cc(C(=O)N[C@@H](C)c2cccc3ccccc32)c(C)n1-c1ccccn1 ZINC000106072567 206012866 /nfs/dbraw/zinc/01/28/66/206012866.db2.gz HDYDCOUPSWDVEI-KRWDZBQOSA-N 0 0 369.468 5.133 10 10 FKCERN Cc1cc(C(=O)N[C@H](C)c2cccc3ccccc32)c(C)n1-c1ccccn1 ZINC000106072570 222381771 /nfs/dbraw/zinc/38/17/71/222381771.db2.gz HDYDCOUPSWDVEI-QGZVFWFLSA-N 0 0 369.468 5.133 10 10 FKCERN Cc1cccc(NCc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C ZINC000226241692 132374812 /nfs/dbraw/zinc/37/48/12/132374812.db2.gz GAAGVOJAPSVESV-UHFFFAOYSA-N 0 0 353.466 5.060 10 10 FKCERN Cc1cccc(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)c1C ZINC000226241717 132374687 /nfs/dbraw/zinc/37/46/87/132374687.db2.gz ZTBXVJFUSGFAFH-INIZCTEOSA-N 0 0 353.466 5.203 10 10 FKCERN Cc1cccc(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)c1C ZINC000226241730 132374781 /nfs/dbraw/zinc/37/47/81/132374781.db2.gz ZTBXVJFUSGFAFH-MRXNPFEDSA-N 0 0 353.466 5.203 10 10 FKCERN Cc1ccc(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000226241743 132374729 /nfs/dbraw/zinc/37/47/29/132374729.db2.gz HPJJHLZISHUKAD-KRWDZBQOSA-N 0 0 353.466 5.203 10 10 FKCERN Cc1ccc(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000226241755 132374670 /nfs/dbraw/zinc/37/46/70/132374670.db2.gz HPJJHLZISHUKAD-QGZVFWFLSA-N 0 0 353.466 5.203 10 10 FKCERN Cc1ccc(NCc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000226241780 132374716 /nfs/dbraw/zinc/37/47/16/132374716.db2.gz ZCFQFXQDHCSOOW-UHFFFAOYSA-N 0 0 353.466 5.060 10 10 FKCERN Cc1ccc(C)c(NCc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000226241792 132374692 /nfs/dbraw/zinc/37/46/92/132374692.db2.gz CZKQFUKOOBTGRY-UHFFFAOYSA-N 0 0 353.466 5.060 10 10 FKCERN Cc1ccc(C)c(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)c1 ZINC000226241817 132374724 /nfs/dbraw/zinc/37/47/24/132374724.db2.gz MVRAKWWSBRUMNK-KRWDZBQOSA-N 0 0 353.466 5.203 10 10 FKCERN Cc1ccc(C)c(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)c1 ZINC000226241825 132374684 /nfs/dbraw/zinc/37/46/84/132374684.db2.gz MVRAKWWSBRUMNK-QGZVFWFLSA-N 0 0 353.466 5.203 10 10 FKCERN Cc1cc(C)cc(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)c1 ZINC000226241837 132374790 /nfs/dbraw/zinc/37/47/90/132374790.db2.gz AGKGGBIXVSATMN-KRWDZBQOSA-N 0 0 353.466 5.203 10 10 FKCERN Cc1cc(C)cc(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)c1 ZINC000226241845 132374779 /nfs/dbraw/zinc/37/47/79/132374779.db2.gz AGKGGBIXVSATMN-QGZVFWFLSA-N 0 0 353.466 5.203 10 10 FKCERN Cc1cc(C)cc(NCc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000226241871 132374787 /nfs/dbraw/zinc/37/47/87/132374787.db2.gz QZWQJZYAWGGBSW-UHFFFAOYSA-N 0 0 353.466 5.060 10 10 FKCERN Cc1ccc(NCc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1C ZINC000226241883 132374742 /nfs/dbraw/zinc/37/47/42/132374742.db2.gz AFZVFFAINQKTDB-UHFFFAOYSA-N 0 0 353.466 5.060 10 10 FKCERN Cc1ccc(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)cc1C ZINC000226241905 132374821 /nfs/dbraw/zinc/37/48/21/132374821.db2.gz SRLGNZRGGGJOGW-KRWDZBQOSA-N 0 0 353.466 5.203 10 10 FKCERN Cc1ccc(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)cc1C ZINC000226241914 132374695 /nfs/dbraw/zinc/37/46/95/132374695.db2.gz SRLGNZRGGGJOGW-QGZVFWFLSA-N 0 0 353.466 5.203 10 10 FKCERN O=[N+]([O-])c1cc(CNc2cccc3ccccc32)ccc1N1CCCCC1 ZINC000226241951 132374725 /nfs/dbraw/zinc/37/47/25/132374725.db2.gz JMDLZZVBQLZPSU-UHFFFAOYSA-N 0 0 361.445 5.350 10 10 FKCERN O=[N+]([O-])c1cc(CNc2ccc3ccccc3c2)ccc1N1CCCCC1 ZINC000226241989 132374691 /nfs/dbraw/zinc/37/46/91/132374691.db2.gz PFOZIUVNOALAJW-UHFFFAOYSA-N 0 0 361.445 5.350 10 10 FKCERN CCc1ccc(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000226242239 132374743 /nfs/dbraw/zinc/37/47/43/132374743.db2.gz XTDVFEPNONYWAK-INIZCTEOSA-N 0 0 353.466 5.148 10 10 FKCERN CCc1ccc(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000226242247 132374791 /nfs/dbraw/zinc/37/47/91/132374791.db2.gz XTDVFEPNONYWAK-MRXNPFEDSA-N 0 0 353.466 5.148 10 10 FKCERN CCc1ccc(NCc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000226242259 132374675 /nfs/dbraw/zinc/37/46/75/132374675.db2.gz CHEOHEKHOQQUFV-UHFFFAOYSA-N 0 0 353.466 5.006 10 10 FKCERN CCCCc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000226242282 535094073 /nfs/dbraw/zinc/09/40/73/535094073.db2.gz BVDPLQSJWCRSNA-UHFFFAOYSA-N 0 0 367.493 5.540 10 10 FKCERN CCCCc1ccc(NCc2ccc(N(CC)CC)c([N+](=O)[O-])c2)cc1 ZINC000226242319 571276068 /nfs/dbraw/zinc/27/60/68/571276068.db2.gz OEFMSIRNWBUSSA-UHFFFAOYSA-N 0 0 355.482 5.396 10 10 FKCERN O=C1C(Br)=CC(C2CCCCC2)=CC1=NNc1ccccc1 ZINC000226272296 210177928 /nfs/dbraw/zinc/17/79/28/210177928.db2.gz LTOSHAOJHAEKLT-QZQOTICOSA-N 0 0 359.267 6.618 10 10 FKCERN Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000230389407 206533759 /nfs/dbraw/zinc/53/37/59/206533759.db2.gz AUBBGMAHACFCBO-RVKKMQEKSA-N 0 0 360.682 5.929 10 10 FKCERN Clc1ccccc1N=Nc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000254414899 203910087 /nfs/dbraw/zinc/91/00/87/203910087.db2.gz MQASQLJBURWYPA-UHFFFAOYSA-N 0 0 358.832 6.813 10 10 FKCERN CC1CCC(CC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708057359 570804841 /nfs/dbraw/zinc/80/48/41/570804841.db2.gz USIFZIRZVAVUDC-UHFFFAOYSA-N 0 0 360.723 5.114 10 10 FKCERN